data_16163_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 16163
_Entry.PDB_ID 2KMC
_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 3 . 1 1 1 A 1 1 GLY C C 1 173.950 175.908 -1.958 1
1 4 . 1 1 1 A 1 1 GLY CA C 1 45.289 56.819 -11.530 1
1 5 . 1 1 1 A 2 2 ILE H H 2 8.026 8.353 -0.327 1
1 6 . 1 1 1 A 2 2 ILE HA H 2 4.518 4.056 0.462 1
1 16 . 1 1 1 A 2 2 ILE CA C 2 54.315 57.009 -2.694 1
1 17 . 1 1 1 A 2 2 ILE CB C 2 41.381 40.793 0.588 1
1 21 . 1 1 1 A 2 2 ILE N N 2 120.237 112.825 7.412 1
1 22 . 1 1 1 A 3 3 ASP H H 3 8.212 8.794 -0.582 1
1 25 . 1 1 1 A 3 3 ASP CB C 3 41.116 61.081 -19.965 1
1 26 . 1 1 1 A 3 3 ASP N N 3 126.816 113.809 13.007 1
1 27 . 1 1 1 A 4 4 PRO HA H 4 3.818 4.813 -0.995 1
1 28 . 1 1 1 A 4 4 PRO C C 4 176.930 174.876 2.054 1
1 29 . 1 1 1 A 4 4 PRO CA C 4 63.589 57.992 5.597 1
1 30 . 1 1 1 A 5 5 PHE H H 5 8.214 8.022 0.192 1
1 33 . 1 1 1 A 5 5 PHE C C 5 176.204 173.530 2.674 1
1 34 . 1 1 1 A 5 5 PHE CA C 5 58.089 46.181 11.908 1
1 36 . 1 1 1 A 5 5 PHE N N 5 118.317 109.918 8.399 1
1 37 . 1 1 1 A 6 6 THR H H 6 7.789 8.102 -0.313 1
1 38 . 1 1 1 A 6 6 THR HA H 6 4.268 4.658 -0.390 1
1 43 . 1 1 1 A 6 6 THR C C 6 174.096 175.752 -1.656 1
1 44 . 1 1 1 A 6 6 THR CA C 6 62.228 53.735 8.493 1
1 45 . 1 1 1 A 6 6 THR CB C 6 69.842 42.395 27.447 1
1 47 . 1 1 1 A 6 6 THR N N 6 114.242 119.798 -5.556 1
1 48 . 1 1 1 A 7 7 MET H H 7 8.077 9.179 -1.102 1
1 49 . 1 1 1 A 7 7 MET HA H 7 4.721 4.347 0.374 1
1 50 . 1 1 1 A 7 7 MET CA C 7 55.836 56.363 -0.527 1
1 51 . 1 1 1 A 7 7 MET N N 7 121.684 126.987 -5.303 1
1 52 . 1 1 1 A 8 8 LEU H H 8 8.043 7.747 0.296 1
1 53 . 1 1 1 A 8 8 LEU HA H 8 4.322 4.594 -0.272 1
1 60 . 1 1 1 A 8 8 LEU CA C 8 55.142 61.407 -6.265 1
1 63 . 1 1 1 A 8 8 LEU N N 8 122.622 110.038 12.584 1
1 64 . 1 1 1 A 9 9 SER H H 9 8.263 7.987 0.276 1
1 65 . 1 1 1 A 9 9 SER HA H 9 4.318 4.301 0.017 1
1 68 . 1 1 1 A 9 9 SER CA C 9 58.256 61.459 -3.203 1
1 69 . 1 1 1 A 9 9 SER CB C 9 63.851 63.377 0.474 1
1 70 . 1 1 1 A 9 9 SER N N 9 116.455 117.573 -1.118 1
1 71 . 1 1 1 A 10 10 SER H H 10 8.268 7.472 0.796 1
1 72 . 1 1 1 A 10 10 SER HA H 10 4.418 4.452 -0.034 1
1 75 . 1 1 1 A 10 10 SER C C 10 175.142 175.848 -0.706 1
1 76 . 1 1 1 A 10 10 SER CA C 10 58.684 51.768 6.916 1
1 77 . 1 1 1 A 10 10 SER CB C 10 63.935 18.830 45.105 1
1 78 . 1 1 1 A 10 10 SER N N 10 117.758 123.250 -5.492 1
1 79 . 1 1 1 A 11 11 GLY H H 11 8.300 8.580 -0.280 1
1 82 . 1 1 1 A 11 11 GLY C C 11 176.844 173.488 3.356 1
1 83 . 1 1 1 A 11 11 GLY CA C 11 45.340 57.175 -11.835 1
1 84 . 1 1 1 A 11 11 GLY N N 11 110.621 120.693 -10.072 1
1 85 . 1 1 1 A 12 12 ASP H H 12 8.095 8.379 -0.284 1
1 86 . 1 1 1 A 12 12 ASP HA H 12 4.520 5.882 -1.362 1
1 89 . 1 1 1 A 12 12 ASP C C 12 176.422 174.438 1.984 1
1 90 . 1 1 1 A 12 12 ASP CA C 12 54.331 54.555 -0.224 1
1 91 . 1 1 1 A 12 12 ASP CB C 12 41.101 32.963 8.138 1
1 92 . 1 1 1 A 12 12 ASP N N 12 120.276 124.551 -4.275 1
1 93 . 1 1 1 A 13 13 LEU H H 13 8.259 8.627 -0.368 1
1 94 . 1 1 1 A 13 13 LEU HA H 13 4.326 4.708 -0.382 1
1 104 . 1 1 1 A 13 13 LEU C C 13 177.829 175.497 2.332 1
1 105 . 1 1 1 A 13 13 LEU CA C 13 55.426 56.133 -0.707 1
1 106 . 1 1 1 A 13 13 LEU CB C 13 42.043 30.211 11.832 1
1 110 . 1 1 1 A 13 13 LEU N N 13 122.645 120.252 2.393 1
1 111 . 1 1 1 A 14 14 THR H H 14 8.134 9.504 -1.370 1
1 112 . 1 1 1 A 14 14 THR HA H 14 4.265 5.311 -1.046 1
1 117 . 1 1 1 A 14 14 THR C C 14 174.821 174.832 -0.011 1
1 118 . 1 1 1 A 14 14 THR CA C 14 62.228 53.678 8.550 1
1 119 . 1 1 1 A 14 14 THR CB C 14 69.762 45.818 23.944 1
1 121 . 1 1 1 A 14 14 THR N N 14 114.338 126.557 -12.219 1
1 122 . 1 1 1 A 15 15 SER H H 15 8.181 8.864 -0.683 1
1 123 . 1 1 1 A 15 15 SER HA H 15 4.429 4.733 -0.304 1
1 126 . 1 1 1 A 15 15 SER C C 15 174.213 174.050 0.163 1
1 127 . 1 1 1 A 15 15 SER CA C 15 58.321 61.402 -3.081 1
1 128 . 1 1 1 A 15 15 SER CB C 15 63.826 32.648 31.178 1
1 129 . 1 1 1 A 15 15 SER N N 15 117.846 126.591 -8.745 1
1 130 . 1 1 1 A 16 16 ALA H H 16 8.284 9.859 -1.575 1
1 131 . 1 1 1 A 16 16 ALA HA H 16 4.395 5.012 -0.617 1
1 135 . 1 1 1 A 16 16 ALA C C 16 177.160 174.223 2.937 1
1 136 . 1 1 1 A 16 16 ALA CA C 16 52.623 61.088 -8.465 1
1 137 . 1 1 1 A 16 16 ALA CB C 16 19.390 33.113 -13.723 1
1 138 . 1 1 1 A 16 16 ALA N N 16 126.207 130.592 -4.385 1
1 139 . 1 1 1 A 17 17 SER H H 17 8.035 9.100 -1.065 1
1 140 . 1 1 1 A 17 17 SER HA H 17 4.891 4.860 0.031 1
1 143 . 1 1 1 A 17 17 SER C C 17 173.472 175.008 -1.536 1
1 144 . 1 1 1 A 17 17 SER CA C 17 57.547 55.830 1.717 1
1 145 . 1 1 1 A 17 17 SER CB C 17 65.420 31.238 34.182 1
1 146 . 1 1 1 A 17 17 SER N N 17 114.521 128.415 -13.894 1
1 147 . 1 1 1 A 18 18 TRP H H 18 8.523 9.560 -1.037 1
1 148 . 1 1 1 A 18 18 TRP HA H 18 4.787 4.899 -0.112 1
1 157 . 1 1 1 A 18 18 TRP C C 18 173.910 174.448 -0.538 1
1 158 . 1 1 1 A 18 18 TRP CA C 18 55.331 62.525 -7.194 1
1 159 . 1 1 1 A 18 18 TRP CB C 18 30.044 32.200 -2.156 1
1 165 . 1 1 1 A 18 18 TRP N N 18 120.348 128.230 -7.882 1
1 167 . 1 1 1 A 19 19 GLU H H 19 8.542 9.201 -0.659 1
1 168 . 1 1 1 A 19 19 GLU HA H 19 4.957 5.078 -0.121 1
1 173 . 1 1 1 A 19 19 GLU C C 19 175.089 174.739 0.350 1
1 174 . 1 1 1 A 19 19 GLU CA C 19 55.735 52.565 3.170 1
1 175 . 1 1 1 A 19 19 GLU CB C 19 31.683 41.551 -9.868 1
1 177 . 1 1 1 A 19 19 GLU N N 19 117.964 128.874 -10.910 1
1 178 . 1 1 1 A 20 20 LEU H H 20 8.813 8.521 0.292 1
1 179 . 1 1 1 A 20 20 LEU HA H 20 4.794 4.723 0.071 1
1 189 . 1 1 1 A 20 20 LEU C C 20 174.656 176.589 -1.933 1
1 190 . 1 1 1 A 20 20 LEU CA C 20 53.195 56.941 -3.746 1
1 191 . 1 1 1 A 20 20 LEU CB C 20 46.182 30.082 16.100 1
1 195 . 1 1 1 A 20 20 LEU N N 20 125.925 124.835 1.090 1
1 196 . 1 1 1 A 21 21 VAL H H 21 8.827 9.059 -0.232 1
1 197 . 1 1 1 A 21 21 VAL HA H 21 4.499 4.072 0.427 1
1 205 . 1 1 1 A 21 21 VAL C C 21 176.157 178.113 -1.956 1
1 206 . 1 1 1 A 21 21 VAL CA C 21 62.260 53.717 8.543 1
1 207 . 1 1 1 A 21 21 VAL CB C 21 31.627 18.799 12.828 1
1 210 . 1 1 1 A 21 21 VAL N N 21 127.297 126.370 0.927 1
1 211 . 1 1 1 A 22 22 VAL H H 22 9.178 7.922 1.256 1
1 212 . 1 1 1 A 22 22 VAL HA H 22 4.348 4.779 -0.431 1
1 220 . 1 1 1 A 22 22 VAL C C 22 175.253 176.100 -0.847 1
1 221 . 1 1 1 A 22 22 VAL CA C 22 60.925 53.151 7.774 1
1 222 . 1 1 1 A 22 22 VAL CB C 22 34.352 39.337 -4.985 1
1 225 . 1 1 1 A 22 22 VAL N N 22 129.937 115.340 14.597 1
1 226 . 1 1 1 A 23 23 ARG H H 23 8.104 8.311 -0.207 1
1 235 . 1 1 1 A 23 23 ARG C C 23 174.950 175.258 -0.308 1
1 236 . 1 1 1 A 23 23 ARG CA C 23 55.516 46.523 8.993 1
1 240 . 1 1 1 A 23 23 ARG N N 23 125.848 107.734 18.114 1
1 242 . 1 1 1 A 24 24 VAL H H 24 9.325 8.344 0.981 1
1 243 . 1 1 1 A 24 24 VAL HA H 24 5.011 4.240 0.771 1
1 251 . 1 1 1 A 24 24 VAL C C 24 175.449 176.302 -0.853 1
1 252 . 1 1 1 A 24 24 VAL CA C 24 61.634 57.845 3.789 1
1 253 . 1 1 1 A 24 24 VAL CB C 24 33.928 30.140 3.788 1
1 256 . 1 1 1 A 24 24 VAL N N 24 124.136 119.479 4.657 1
1 257 . 1 1 1 A 25 25 ASP H H 25 8.414 7.489 0.925 1
1 258 . 1 1 1 A 25 25 ASP HA H 25 5.220 4.637 0.583 1
1 261 . 1 1 1 A 25 25 ASP C C 25 176.671 173.252 3.419 1
1 262 . 1 1 1 A 25 25 ASP CA C 25 52.956 55.463 -2.507 1
1 263 . 1 1 1 A 25 25 ASP CB C 25 43.473 32.288 11.185 1
1 264 . 1 1 1 A 25 25 ASP N N 25 126.172 118.483 7.689 1
1 265 . 1 1 1 A 26 26 HIS H H 26 9.152 8.680 0.472 1
1 266 . 1 1 1 A 26 26 HIS HA H 26 4.542 5.669 -1.127 1
1 271 . 1 1 1 A 26 26 HIS C C 26 174.917 174.876 0.041 1
1 272 . 1 1 1 A 26 26 HIS CA C 26 56.700 54.515 2.185 1
1 273 . 1 1 1 A 26 26 HIS CB C 26 30.185 31.860 -1.675 1
1 276 . 1 1 1 A 26 26 HIS N N 26 124.402 123.649 0.753 1
1 277 . 1 1 1 A 27 27 ALA H H 27 9.121 9.059 0.062 1
1 278 . 1 1 1 A 27 27 ALA HA H 27 3.984 4.929 -0.945 1
1 282 . 1 1 1 A 27 27 ALA C C 27 176.927 173.448 3.479 1
1 283 . 1 1 1 A 27 27 ALA CA C 27 53.240 61.779 -8.539 1
1 284 . 1 1 1 A 27 27 ALA CB C 27 17.122 70.657 -53.535 1
1 285 . 1 1 1 A 27 27 ALA N N 27 121.895 118.071 3.824 1
1 286 . 1 1 1 A 28 28 ASN H H 28 8.140 8.979 -0.839 1
1 287 . 1 1 1 A 28 28 ASN HA H 28 4.628 4.738 -0.110 1
1 292 . 1 1 1 A 28 28 ASN C C 28 176.389 175.177 1.212 1
1 293 . 1 1 1 A 28 28 ASN CA C 28 52.466 55.726 -3.260 1
1 294 . 1 1 1 A 28 28 ASN CB C 28 38.624 30.048 8.576 1
1 295 . 1 1 1 A 28 28 ASN N N 28 114.287 126.112 -11.825 1
1 297 . 1 1 1 A 29 29 GLY H H 29 8.254 9.199 -0.945 1
1 300 . 1 1 1 A 29 29 GLY C C 29 174.848 175.020 -0.172 1
1 301 . 1 1 1 A 29 29 GLY CA C 29 45.354 60.176 -14.822 1
1 302 . 1 1 1 A 29 29 GLY N N 29 108.650 126.187 -17.537 1
1 303 . 1 1 1 A 30 30 GLU H H 30 7.860 8.985 -1.125 1
1 304 . 1 1 1 A 30 30 GLU HA H 30 4.267 4.993 -0.726 1
1 309 . 1 1 1 A 30 30 GLU C C 30 176.802 173.805 2.997 1
1 310 . 1 1 1 A 30 30 GLU CA C 30 56.348 62.322 -5.974 1
1 311 . 1 1 1 A 30 30 GLU CB C 30 30.460 69.674 -39.214 1
1 313 . 1 1 1 A 30 30 GLU N N 30 119.375 124.791 -5.416 1
1 314 . 1 1 1 A 31 31 GLN H H 31 8.280 9.172 -0.892 1
1 315 . 1 1 1 A 31 31 GLN HA H 31 4.222 5.059 -0.837 1
1 322 . 1 1 1 A 31 31 GLN C C 31 175.995 175.234 0.761 1
1 323 . 1 1 1 A 31 31 GLN CA C 31 55.917 52.970 2.947 1
1 324 . 1 1 1 A 31 31 GLN CB C 31 30.002 44.834 -14.832 1
1 326 . 1 1 1 A 31 31 GLN N N 31 120.036 127.692 -7.656 1
1 328 . 1 1 1 A 32 32 GLN H H 32 7.520 8.865 -1.345 1
1 329 . 1 1 1 A 32 32 GLN HA H 32 4.905 4.819 0.086 1
1 336 . 1 1 1 A 32 32 GLN C C 32 176.112 175.548 0.564 1
1 337 . 1 1 1 A 32 32 GLN CA C 32 56.211 55.266 0.945 1
1 338 . 1 1 1 A 32 32 GLN CB C 32 30.863 31.198 -0.335 1
1 340 . 1 1 1 A 32 32 GLN N N 32 123.146 125.077 -1.931 1
1 342 . 1 1 1 A 33 33 THR H H 33 8.533 8.681 -0.148 1
1 343 . 1 1 1 A 33 33 THR HA H 33 4.621 4.515 0.106 1
1 348 . 1 1 1 A 33 33 THR C C 33 173.112 175.162 -2.050 1
1 349 . 1 1 1 A 33 33 THR CA C 33 61.506 59.202 2.304 1
1 350 . 1 1 1 A 33 33 THR CB C 33 71.605 33.771 37.834 1
1 352 . 1 1 1 A 33 33 THR N N 33 118.233 123.425 -5.192 1
1 353 . 1 1 1 A 34 34 GLU H H 34 8.711 8.664 0.047 1
1 354 . 1 1 1 A 34 34 GLU HA H 34 4.939 4.577 0.362 1
1 359 . 1 1 1 A 34 34 GLU C C 34 175.108 174.443 0.665 1
1 360 . 1 1 1 A 34 34 GLU CA C 34 55.553 58.250 -2.697 1
1 361 . 1 1 1 A 34 34 GLU CB C 34 31.950 63.574 -31.624 1
1 363 . 1 1 1 A 34 34 GLU N N 34 124.692 117.541 7.151 1
1 364 . 1 1 1 A 35 35 ILE H H 35 9.115 7.604 1.511 1
1 375 . 1 1 1 A 35 35 ILE C C 35 174.282 174.586 -0.304 1
1 376 . 1 1 1 A 35 35 ILE CA C 35 59.057 45.648 13.409 1
1 381 . 1 1 1 A 35 35 ILE N N 35 127.113 109.191 17.922 1
1 382 . 1 1 1 A 36 36 THR H H 36 8.545 8.415 0.130 1
1 383 . 1 1 1 A 36 36 THR HA H 36 4.772 4.561 0.211 1
1 388 . 1 1 1 A 36 36 THR C C 36 174.054 176.042 -1.988 1
1 389 . 1 1 1 A 36 36 THR CA C 36 62.257 54.173 8.084 1
1 390 . 1 1 1 A 36 36 THR CB C 36 68.948 39.730 29.218 1
1 392 . 1 1 1 A 36 36 THR N N 36 123.057 118.502 4.555 1
1 393 . 1 1 1 A 37 37 LEU H H 37 9.161 7.333 1.828 1
1 394 . 1 1 1 A 37 37 LEU HA H 37 4.503 4.231 0.272 1
1 404 . 1 1 1 A 37 37 LEU C C 37 175.047 176.022 -0.975 1
1 405 . 1 1 1 A 37 37 LEU CA C 37 52.646 54.854 -2.208 1
1 406 . 1 1 1 A 37 37 LEU CB C 37 45.951 42.730 3.221 1
1 410 . 1 1 1 A 37 37 LEU N N 37 128.195 122.760 5.435 1
1 411 . 1 1 1 A 38 38 ARG H H 38 8.258 8.443 -0.185 1
1 412 . 1 1 1 A 38 38 ARG HA H 38 4.556 5.016 -0.460 1
1 420 . 1 1 1 A 38 38 ARG C C 38 175.726 176.430 -0.704 1
1 421 . 1 1 1 A 38 38 ARG CA C 38 55.701 55.255 0.446 1
1 422 . 1 1 1 A 38 38 ARG CB C 38 29.601 31.636 -2.035 1
1 425 . 1 1 1 A 38 38 ARG N N 38 122.992 121.435 1.557 1
1 427 . 1 1 1 A 39 39 VAL H H 39 8.635 9.074 -0.439 1
1 428 . 1 1 1 A 39 39 VAL HA H 39 4.358 3.614 0.744 1
1 436 . 1 1 1 A 39 39 VAL C C 39 172.241 178.632 -6.391 1
1 437 . 1 1 1 A 39 39 VAL CA C 39 58.334 65.270 -6.936 1
1 438 . 1 1 1 A 39 39 VAL CB C 39 35.214 37.944 -2.730 1
1 441 . 1 1 1 A 39 39 VAL N N 39 118.388 120.976 -2.588 1
1 442 . 1 1 1 A 40 40 SER H H 40 6.388 8.065 -1.677 1
1 446 . 1 1 1 A 40 40 SER C C 40 175.046 177.036 -1.990 1
1 447 . 1 1 1 A 40 40 SER CA C 40 56.216 47.396 8.820 1
1 449 . 1 1 1 A 40 40 SER N N 40 108.799 108.755 0.044 1
1 450 . 1 1 1 A 41 41 GLY H H 41 9.085 8.300 0.785 1
1 451 . 1 1 1 A 41 41 GLY HA2 H 41 3.850 3.480 0.370 1
1 452 . 1 1 1 A 41 41 GLY HA3 H 41 4.321 3.713 0.608 1
1 453 . 1 1 1 A 41 41 GLY C C 41 173.137 176.036 -2.899 1
1 454 . 1 1 1 A 41 41 GLY CA C 41 47.346 46.875 0.471 1
1 455 . 1 1 1 A 41 41 GLY N N 41 107.767 109.897 -2.130 1
1 456 . 1 1 1 A 42 42 ASP H H 42 7.994 7.658 0.336 1
1 457 . 1 1 1 A 42 42 ASP HA H 42 4.498 3.617 0.881 1
1 460 . 1 1 1 A 42 42 ASP C C 42 175.609 177.713 -2.104 1
1 461 . 1 1 1 A 42 42 ASP CA C 42 53.241 65.669 -12.428 1
1 462 . 1 1 1 A 42 42 ASP CB C 42 40.331 31.586 8.745 1
1 463 . 1 1 1 A 42 42 ASP N N 42 112.956 122.006 -9.050 1
1 464 . 1 1 1 A 43 43 LEU H H 43 7.431 8.154 -0.723 1
1 465 . 1 1 1 A 43 43 LEU HA H 43 4.210 3.902 0.308 1
1 475 . 1 1 1 A 43 43 LEU C C 43 175.552 178.384 -2.832 1
1 476 . 1 1 1 A 43 43 LEU CA C 43 55.199 59.142 -3.943 1
1 477 . 1 1 1 A 43 43 LEU CB C 43 42.398 33.150 9.248 1
1 481 . 1 1 1 A 43 43 LEU N N 43 123.293 117.688 5.605 1
1 482 . 1 1 1 A 44 44 HIS H H 44 8.405 7.829 0.576 1
1 483 . 1 1 1 A 44 44 HIS HA H 44 5.154 3.999 1.155 1
1 488 . 1 1 1 A 44 44 HIS C C 44 177.511 178.716 -1.205 1
1 489 . 1 1 1 A 44 44 HIS CA C 44 54.692 57.800 -3.108 1
1 490 . 1 1 1 A 44 44 HIS CB C 44 30.868 41.707 -10.839 1
1 493 . 1 1 1 A 44 44 HIS N N 44 121.975 120.926 1.049 1
1 494 . 1 1 1 A 45 45 ILE H H 45 8.628 7.691 0.937 1
1 495 . 1 1 1 A 45 45 ILE HA H 45 3.445 3.861 -0.416 1
1 505 . 1 1 1 A 45 45 ILE C C 45 179.116 179.064 0.052 1
1 506 . 1 1 1 A 45 45 ILE CA C 45 62.585 59.843 2.742 1
1 507 . 1 1 1 A 45 45 ILE CB C 45 35.492 32.138 3.354 1
1 511 . 1 1 1 A 45 45 ILE N N 45 124.304 118.876 5.428 1
1 512 . 1 1 1 A 46 46 GLY H H 46 9.792 7.609 2.183 1
1 515 . 1 1 1 A 46 46 GLY C C 46 175.742 178.477 -2.735 1
1 516 . 1 1 1 A 46 46 GLY CA C 46 46.812 57.928 -11.116 1
1 517 . 1 1 1 A 46 46 GLY N N 46 106.610 120.563 -13.953 1
1 518 . 1 1 1 A 47 47 GLY H H 47 6.761 7.265 -0.504 1
1 521 . 1 1 1 A 47 47 GLY C C 47 176.182 177.253 -1.071 1
1 522 . 1 1 1 A 47 47 GLY CA C 47 46.819 66.477 -19.658 1
1 523 . 1 1 1 A 47 47 GLY N N 47 109.580 117.401 -7.821 1
1 524 . 1 1 1 A 48 48 VAL H H 48 7.669 7.774 -0.105 1
1 525 . 1 1 1 A 48 48 VAL HA H 48 3.083 3.924 -0.841 1
1 533 . 1 1 1 A 48 48 VAL C C 48 176.849 179.091 -2.242 1
1 534 . 1 1 1 A 48 48 VAL CA C 48 66.775 59.333 7.442 1
1 535 . 1 1 1 A 48 48 VAL CB C 48 30.944 28.985 1.959 1
1 538 . 1 1 1 A 48 48 VAL N N 48 123.461 118.589 4.872 1
1 539 . 1 1 1 A 49 49 MET H H 49 7.632 7.925 -0.293 1
1 540 . 1 1 1 A 49 49 MET HA H 49 3.143 4.042 -0.899 1
1 548 . 1 1 1 A 49 49 MET C C 49 176.774 178.893 -2.119 1
1 549 . 1 1 1 A 49 49 MET CA C 49 59.972 59.108 0.864 1
1 550 . 1 1 1 A 49 49 MET CB C 49 33.142 28.563 4.579 1
1 553 . 1 1 1 A 49 49 MET N N 49 115.691 119.285 -3.594 1
1 554 . 1 1 1 A 50 50 LEU H H 50 7.535 7.833 -0.298 1
1 555 . 1 1 1 A 50 50 LEU HA H 50 3.821 4.201 -0.380 1
1 565 . 1 1 1 A 50 50 LEU C C 50 179.001 176.370 2.631 1
1 566 . 1 1 1 A 50 50 LEU CA C 50 57.910 59.155 -1.245 1
1 567 . 1 1 1 A 50 50 LEU CB C 50 41.821 32.577 9.244 1
1 571 . 1 1 1 A 50 50 LEU N N 50 117.445 118.600 -1.155 1
1 572 . 1 1 1 A 51 51 LYS H H 51 7.447 8.075 -0.628 1
1 573 . 1 1 1 A 51 51 LYS HA H 51 3.880 4.452 -0.572 1
1 582 . 1 1 1 A 51 51 LYS C C 51 178.975 174.089 4.886 1
1 583 . 1 1 1 A 51 51 LYS CA C 51 59.003 54.007 4.996 1
1 584 . 1 1 1 A 51 51 LYS CB C 51 32.890 36.990 -4.100 1
1 588 . 1 1 1 A 51 51 LYS N N 51 118.306 117.380 0.926 1
1 589 . 1 1 1 A 52 52 LEU H H 52 7.547 7.910 -0.363 1
1 590 . 1 1 1 A 52 52 LEU HA H 52 3.523 4.669 -1.146 1
1 600 . 1 1 1 A 52 52 LEU C C 52 177.676 175.113 2.563 1
1 601 . 1 1 1 A 52 52 LEU CA C 52 58.038 59.850 -1.812 1
1 602 . 1 1 1 A 52 52 LEU CB C 52 41.660 41.357 0.303 1
1 606 . 1 1 1 A 52 52 LEU N N 52 119.198 119.235 -0.037 1
1 607 . 1 1 1 A 53 53 VAL H H 53 7.368 8.699 -1.331 1
1 608 . 1 1 1 A 53 53 VAL HA H 53 2.469 4.352 -1.883 1
1 616 . 1 1 1 A 53 53 VAL C C 53 179.189 175.859 3.330 1
1 617 . 1 1 1 A 53 53 VAL CA C 53 66.706 51.864 14.842 1
1 618 . 1 1 1 A 53 53 VAL CB C 53 31.343 17.389 13.954 1
1 621 . 1 1 1 A 53 53 VAL N N 53 117.879 130.404 -12.525 1
1 622 . 1 1 1 A 54 54 GLU H H 54 7.966 8.147 -0.181 1
1 623 . 1 1 1 A 54 54 GLU HA H 54 3.865 4.922 -1.057 1
1 628 . 1 1 1 A 54 54 GLU C C 54 178.593 173.078 5.515 1
1 629 . 1 1 1 A 54 54 GLU CA C 54 58.935 53.591 5.344 1
1 630 . 1 1 1 A 54 54 GLU CB C 54 29.772 31.920 -2.148 1
1 632 . 1 1 1 A 54 54 GLU N N 54 119.295 118.347 0.948 1
1 633 . 1 1 1 A 55 55 GLN H H 55 7.651 8.498 -0.847 1
1 634 . 1 1 1 A 55 55 GLN HA H 55 4.005 4.708 -0.703 1
1 641 . 1 1 1 A 55 55 GLN C C 55 177.512 174.660 2.852 1
1 642 . 1 1 1 A 55 55 GLN CA C 55 57.362 52.973 4.389 1
1 643 . 1 1 1 A 55 55 GLN CB C 55 28.938 40.798 -11.860 1
1 645 . 1 1 1 A 55 55 GLN N N 55 116.036 122.516 -6.480 1
1 647 . 1 1 1 A 56 56 MET H H 56 7.691 8.808 -1.117 1
1 648 . 1 1 1 A 56 56 MET HA H 56 4.316 4.922 -0.606 1
1 656 . 1 1 1 A 56 56 MET C C 56 176.572 176.877 -0.305 1
1 657 . 1 1 1 A 56 56 MET CA C 56 56.492 55.975 0.517 1
1 658 . 1 1 1 A 56 56 MET CB C 56 32.901 27.208 5.693 1
1 661 . 1 1 1 A 56 56 MET N N 56 117.664 127.258 -9.594 1
1 662 . 1 1 1 A 57 57 ASN H H 57 7.816 8.422 -0.606 1
1 663 . 1 1 1 A 57 57 ASN HA H 57 4.495 4.175 0.320 1
1 668 . 1 1 1 A 57 57 ASN C C 57 174.613 174.654 -0.041 1
1 669 . 1 1 1 A 57 57 ASN CA C 57 53.813 61.995 -8.182 1
1 670 . 1 1 1 A 57 57 ASN CB C 57 37.713 63.109 -25.396 1
1 671 . 1 1 1 A 57 57 ASN N N 57 115.864 121.269 -5.405 1
1 673 . 1 1 1 A 58 58 ILE H H 58 8.391 8.013 0.378 1
1 674 . 1 1 1 A 58 58 ILE HA H 58 4.284 4.896 -0.612 1
1 684 . 1 1 1 A 58 58 ILE C C 58 175.277 173.841 1.436 1
1 685 . 1 1 1 A 58 58 ILE CA C 58 60.631 54.215 6.416 1
1 686 . 1 1 1 A 58 58 ILE CB C 58 41.470 42.807 -1.337 1
1 690 . 1 1 1 A 58 58 ILE N N 58 117.760 119.386 -1.626 1
1 691 . 1 1 1 A 59 59 ALA H H 59 8.438 8.417 0.021 1
1 692 . 1 1 1 A 59 59 ALA HA H 59 4.535 5.842 -1.307 1
1 696 . 1 1 1 A 59 59 ALA C C 59 175.554 173.739 1.815 1
1 697 . 1 1 1 A 59 59 ALA CA C 59 51.604 54.985 -3.381 1
1 698 . 1 1 1 A 59 59 ALA CB C 59 17.256 42.261 -25.005 1
1 699 . 1 1 1 A 59 59 ALA N N 59 129.371 123.433 5.938 1
1 700 . 1 1 1 A 60 60 GLN H H 60 7.498 8.677 -1.179 1
1 701 . 1 1 1 A 60 60 GLN HA H 60 4.291 5.096 -0.805 1
1 708 . 1 1 1 A 60 60 GLN C C 60 172.908 175.397 -2.489 1
1 709 . 1 1 1 A 60 60 GLN CA C 60 53.492 51.338 2.154 1
1 710 . 1 1 1 A 60 60 GLN CB C 60 30.340 23.135 7.205 1
1 712 . 1 1 1 A 60 60 GLN N N 60 120.550 121.873 -1.323 1
1 714 . 1 1 1 A 61 61 ASP H H 61 8.086 8.815 -0.729 1
1 715 . 1 1 1 A 61 61 ASP HA H 61 4.622 5.317 -0.695 1
1 718 . 1 1 1 A 61 61 ASP C C 61 177.529 175.841 1.688 1
1 719 . 1 1 1 A 61 61 ASP CA C 61 53.520 54.189 -0.669 1
1 720 . 1 1 1 A 61 61 ASP CB C 61 40.493 43.715 -3.222 1
1 721 . 1 1 1 A 61 61 ASP N N 61 118.225 118.831 -0.606 1
1 722 . 1 1 1 A 62 62 TRP H H 62 8.999 9.672 -0.673 1
1 723 . 1 1 1 A 62 62 TRP HA H 62 4.578 5.294 -0.716 1
1 732 . 1 1 1 A 62 62 TRP C C 62 178.609 174.711 3.898 1
1 733 . 1 1 1 A 62 62 TRP CA C 62 57.200 54.300 2.900 1
1 734 . 1 1 1 A 62 62 TRP CB C 62 29.155 31.423 -2.268 1
1 740 . 1 1 1 A 62 62 TRP N N 62 129.134 126.379 2.755 1
1 742 . 1 1 1 A 63 63 SER H H 63 8.756 8.774 -0.018 1
1 743 . 1 1 1 A 63 63 SER HA H 63 4.127 4.708 -0.581 1
1 746 . 1 1 1 A 63 63 SER C C 63 175.119 176.174 -1.055 1
1 747 . 1 1 1 A 63 63 SER CA C 63 62.933 55.844 7.089 1
1 748 . 1 1 1 A 63 63 SER CB C 63 63.120 29.519 33.601 1
1 749 . 1 1 1 A 63 63 SER N N 63 119.231 129.718 -10.487 1
1 750 . 1 1 1 A 64 64 ASP H H 64 9.095 8.500 0.595 1
1 751 . 1 1 1 A 64 64 ASP HA H 64 4.876 3.890 0.986 1
1 754 . 1 1 1 A 64 64 ASP C C 64 177.267 178.330 -1.063 1
1 755 . 1 1 1 A 64 64 ASP CA C 64 54.157 59.880 -5.723 1
1 756 . 1 1 1 A 64 64 ASP CB C 64 43.116 29.756 13.360 1
1 757 . 1 1 1 A 64 64 ASP N N 64 120.137 128.254 -8.117 1
1 758 . 1 1 1 A 65 65 TYR H H 65 7.991 8.482 -0.491 1
1 759 . 1 1 1 A 65 65 TYR HA H 65 4.151 4.185 -0.034 1
1 766 . 1 1 1 A 65 65 TYR C C 65 175.746 176.776 -1.030 1
1 767 . 1 1 1 A 65 65 TYR CA C 65 59.053 57.348 1.705 1
1 768 . 1 1 1 A 65 65 TYR CB C 65 38.836 28.349 10.487 1
1 773 . 1 1 1 A 65 65 TYR N N 65 121.458 117.327 4.131 1
1 774 . 1 1 1 A 66 66 ALA H H 66 8.698 7.143 1.555 1
1 775 . 1 1 1 A 66 66 ALA HA H 66 4.794 4.096 0.698 1
1 779 . 1 1 1 A 66 66 ALA C C 66 175.126 175.423 -0.297 1
1 780 . 1 1 1 A 66 66 ALA CA C 66 51.166 54.864 -3.698 1
1 781 . 1 1 1 A 66 66 ALA CB C 66 23.771 33.445 -9.674 1
1 782 . 1 1 1 A 66 66 ALA N N 66 122.944 116.326 6.618 1
1 783 . 1 1 1 A 67 67 LEU H H 67 9.131 7.361 1.770 1
1 784 . 1 1 1 A 67 67 LEU HA H 67 5.498 3.032 2.466 1
1 794 . 1 1 1 A 67 67 LEU C C 67 174.489 174.431 0.058 1
1 795 . 1 1 1 A 67 67 LEU CA C 67 53.987 56.456 -2.469 1
1 796 . 1 1 1 A 67 67 LEU CB C 67 44.080 28.012 16.068 1
1 800 . 1 1 1 A 67 67 LEU N N 67 118.646 116.732 1.914 1
1 801 . 1 1 1 A 68 68 TRP H H 68 9.934 6.192 3.742 1
1 802 . 1 1 1 A 68 68 TRP HA H 68 4.680 4.890 -0.210 1
1 811 . 1 1 1 A 68 68 TRP C C 68 174.148 172.612 1.536 1
1 812 . 1 1 1 A 68 68 TRP CA C 68 55.276 57.062 -1.786 1
1 813 . 1 1 1 A 68 68 TRP CB C 68 30.222 30.743 -0.521 1
1 819 . 1 1 1 A 68 68 TRP N N 68 126.978 113.495 13.483 1
1 821 . 1 1 1 A 69 69 TRP H H 69 8.507 8.919 -0.412 1
1 822 . 1 1 1 A 69 69 TRP HA H 69 5.060 5.538 -0.478 1
1 831 . 1 1 1 A 69 69 TRP C C 69 175.837 176.192 -0.355 1
1 832 . 1 1 1 A 69 69 TRP CA C 69 52.520 56.340 -3.820 1
1 833 . 1 1 1 A 69 69 TRP CB C 69 30.500 31.369 -0.869 1
1 839 . 1 1 1 A 69 69 TRP N N 69 129.756 123.353 6.403 1
1 841 . 1 1 1 A 70 70 GLU H H 70 8.917 9.566 -0.649 1
1 842 . 1 1 1 A 70 70 GLU HA H 70 3.817 4.461 -0.644 1
1 847 . 1 1 1 A 70 70 GLU C C 70 179.449 177.044 2.405 1
1 848 . 1 1 1 A 70 70 GLU CA C 70 60.208 54.786 5.422 1
1 849 . 1 1 1 A 70 70 GLU CB C 70 29.937 40.885 -10.948 1
1 851 . 1 1 1 A 70 70 GLU N N 70 126.517 126.364 0.153 1
1 852 . 1 1 1 A 71 71 GLN H H 71 8.515 8.646 -0.131 1
1 853 . 1 1 1 A 71 71 GLN HA H 71 3.782 4.787 -1.005 1
1 860 . 1 1 1 A 71 71 GLN C C 71 177.266 176.629 0.637 1
1 861 . 1 1 1 A 71 71 GLN CA C 71 61.006 54.255 6.751 1
1 862 . 1 1 1 A 71 71 GLN CB C 71 27.451 42.757 -15.306 1
1 864 . 1 1 1 A 71 71 GLN N N 71 114.822 125.841 -11.019 1
1 866 . 1 1 1 A 72 72 LYS H H 72 5.086 7.445 -2.359 1
1 867 . 1 1 1 A 72 72 LYS HA H 72 3.719 4.421 -0.702 1
1 876 . 1 1 1 A 72 72 LYS C C 72 174.268 177.117 -2.849 1
1 877 . 1 1 1 A 72 72 LYS CA C 72 53.864 54.703 -0.839 1
1 878 . 1 1 1 A 72 72 LYS CB C 72 33.242 30.000 3.242 1
1 882 . 1 1 1 A 72 72 LYS N N 72 112.499 120.182 -7.683 1
1 883 . 1 1 1 A 73 73 ARG H H 73 7.402 7.745 -0.343 1
1 884 . 1 1 1 A 73 73 ARG HA H 73 2.800 4.227 -1.427 1
1 892 . 1 1 1 A 73 73 ARG C C 73 173.935 176.634 -2.699 1
1 893 . 1 1 1 A 73 73 ARG CA C 73 56.187 65.026 -8.839 1
1 894 . 1 1 1 A 73 73 ARG CB C 73 26.602 68.828 -42.226 1
1 897 . 1 1 1 A 73 73 ARG N N 73 118.477 113.639 4.838 1
1 899 . 1 1 1 A 74 74 CYS H H 74 6.242 7.779 -1.537 1
1 900 . 1 1 1 A 74 74 CYS HA H 74 4.671 4.388 0.283 1
1 903 . 1 1 1 A 74 74 CYS C C 74 171.332 175.553 -4.221 1
1 904 . 1 1 1 A 74 74 CYS CA C 74 54.443 57.480 -3.037 1
1 905 . 1 1 1 A 74 74 CYS CB C 74 31.599 30.444 1.155 1
1 906 . 1 1 1 A 74 74 CYS N N 74 110.705 121.756 -11.051 1
1 907 . 1 1 1 A 75 75 TRP H H 75 8.567 7.931 0.636 1
1 908 . 1 1 1 A 75 75 TRP HA H 75 5.414 4.973 0.441 1
1 917 . 1 1 1 A 75 75 TRP C C 75 177.638 176.644 0.994 1
1 918 . 1 1 1 A 75 75 TRP CA C 75 55.720 56.249 -0.529 1
1 919 . 1 1 1 A 75 75 TRP CB C 75 30.966 31.980 -1.014 1
1 925 . 1 1 1 A 75 75 TRP N N 75 120.876 119.422 1.454 1
1 927 . 1 1 1 A 76 76 LEU H H 76 9.181 8.885 0.296 1
1 928 . 1 1 1 A 76 76 LEU HA H 76 4.737 4.728 0.009 1
1 938 . 1 1 1 A 76 76 LEU C C 76 175.745 176.327 -0.582 1
1 939 . 1 1 1 A 76 76 LEU CA C 76 53.729 60.515 -6.786 1
1 940 . 1 1 1 A 76 76 LEU CB C 76 40.810 71.445 -30.635 1
1 944 . 1 1 1 A 76 76 LEU N N 76 125.488 114.813 10.675 1
1 945 . 1 1 1 A 77 77 LEU H H 77 7.711 9.093 -1.382 1
1 946 . 1 1 1 A 77 77 LEU HA H 77 4.416 4.059 0.357 1
1 956 . 1 1 1 A 77 77 LEU C C 77 178.257 178.853 -0.596 1
1 957 . 1 1 1 A 77 77 LEU CA C 77 54.539 58.283 -3.744 1
1 958 . 1 1 1 A 77 77 LEU CB C 77 42.566 41.565 1.001 1
1 962 . 1 1 1 A 77 77 LEU N N 77 119.493 122.881 -3.388 1
1 963 . 1 1 1 A 78 78 LYS H H 78 8.173 8.330 -0.157 1
1 964 . 1 1 1 A 78 78 LYS HA H 78 4.380 4.398 -0.018 1
1 973 . 1 1 1 A 78 78 LYS C C 78 177.029 178.618 -1.589 1
1 974 . 1 1 1 A 78 78 LYS CA C 78 54.048 57.438 -3.390 1
1 975 . 1 1 1 A 78 78 LYS CB C 78 28.755 40.953 -12.198 1
1 979 . 1 1 1 A 78 78 LYS N N 78 121.730 119.132 2.598 1
1 980 . 1 1 1 A 79 79 THR H H 79 7.812 7.958 -0.146 1
1 981 . 1 1 1 A 79 79 THR HA H 79 3.677 4.032 -0.355 1
1 986 . 1 1 1 A 79 79 THR C C 79 175.193 178.789 -3.596 1
1 987 . 1 1 1 A 79 79 THR CA C 79 64.890 59.078 5.812 1
1 988 . 1 1 1 A 79 79 THR CB C 79 68.447 32.100 36.347 1
1 990 . 1 1 1 A 79 79 THR N N 79 114.142 118.735 -4.593 1
1 991 . 1 1 1 A 80 80 HIS H H 80 8.929 8.088 0.841 1
1 992 . 1 1 1 A 80 80 HIS HA H 80 4.759 4.760 -0.001 1
1 995 . 1 1 1 A 80 80 HIS C C 80 175.622 175.286 0.336 1
1 996 . 1 1 1 A 80 80 HIS CA C 80 56.078 60.136 -4.058 1
1 997 . 1 1 1 A 80 80 HIS CB C 80 29.927 27.999 1.928 1
1 998 . 1 1 1 A 80 80 HIS N N 80 117.372 115.983 1.389 1
1 999 . 1 1 1 A 81 81 TRP H H 81 8.544 8.444 0.100 1
1 1009 . 1 1 1 A 81 81 TRP C C 81 175.952 174.073 1.879 1
1 1010 . 1 1 1 A 81 81 TRP CA C 81 56.009 45.247 10.762 1
1 1017 . 1 1 1 A 81 81 TRP N N 81 122.512 108.655 13.857 1
1 1019 . 1 1 1 A 82 82 THR H H 82 7.587 7.447 0.140 1
1 1020 . 1 1 1 A 82 82 THR HA H 82 4.725 4.168 0.557 1
1 1025 . 1 1 1 A 82 82 THR C C 82 176.305 174.647 1.658 1
1 1026 . 1 1 1 A 82 82 THR CA C 82 60.250 60.818 -0.568 1
1 1027 . 1 1 1 A 82 82 THR CB C 82 70.601 31.954 38.647 1
1 1029 . 1 1 1 A 82 82 THR N N 82 109.728 121.756 -12.028 1
1 1030 . 1 1 1 A 83 83 LEU H H 83 8.354 8.372 -0.018 1
1 1031 . 1 1 1 A 83 83 LEU HA H 83 3.798 4.056 -0.258 1
1 1040 . 1 1 1 A 83 83 LEU C C 83 179.461 175.821 3.640 1
1 1041 . 1 1 1 A 83 83 LEU CA C 83 59.442 53.268 6.174 1
1 1042 . 1 1 1 A 83 83 LEU CB C 83 40.758 31.267 9.491 1
1 1045 . 1 1 1 A 83 83 LEU N N 83 122.120 127.073 -4.953 1
1 1046 . 1 1 1 A 84 84 ASP H H 84 8.985 7.807 1.178 1
1 1047 . 1 1 1 A 84 84 ASP HA H 84 4.427 4.075 0.352 1
1 1050 . 1 1 1 A 84 84 ASP C C 84 179.464 178.346 1.118 1
1 1051 . 1 1 1 A 84 84 ASP CA C 84 57.459 54.183 3.276 1
1 1052 . 1 1 1 A 84 84 ASP CB C 84 40.243 18.440 21.803 1
1 1053 . 1 1 1 A 84 84 ASP N N 84 118.020 122.042 -4.022 1
1 1054 . 1 1 1 A 85 85 LYS H H 85 8.134 7.753 0.381 1
1 1055 . 1 1 1 A 85 85 LYS HA H 85 3.820 4.543 -0.723 1
1 1064 . 1 1 1 A 85 85 LYS C C 85 178.824 175.637 3.187 1
1 1065 . 1 1 1 A 85 85 LYS CA C 85 59.103 55.235 3.868 1
1 1066 . 1 1 1 A 85 85 LYS CB C 85 32.229 40.986 -8.757 1
1 1070 . 1 1 1 A 85 85 LYS N N 85 123.380 116.212 7.168 1
1 1071 . 1 1 1 A 86 86 CYS H H 86 8.083 7.549 0.534 1
1 1072 . 1 1 1 A 86 86 CYS HA H 86 4.439 5.101 -0.662 1
1 1075 . 1 1 1 A 86 86 CYS C C 86 174.621 175.370 -0.749 1
1 1076 . 1 1 1 A 86 86 CYS CA C 86 61.800 50.348 11.452 1
1 1077 . 1 1 1 A 86 86 CYS CB C 86 28.700 22.500 6.200 1
1 1078 . 1 1 1 A 86 86 CYS N N 86 113.734 120.527 -6.793 1
1 1079 . 1 1 1 A 87 87 GLY H H 87 7.904 8.777 -0.873 1
1 1082 . 1 1 1 A 87 87 GLY C C 87 174.471 174.011 0.460 1
1 1083 . 1 1 1 A 87 87 GLY CA C 87 45.434 52.869 -7.435 1
1 1084 . 1 1 1 A 87 87 GLY N N 87 107.243 120.137 -12.894 1
1 1085 . 1 1 1 A 88 88 VAL H H 88 7.635 8.871 -1.236 1
1 1086 . 1 1 1 A 88 88 VAL HA H 88 3.165 5.109 -1.944 1
1 1094 . 1 1 1 A 88 88 VAL C C 88 173.926 173.870 0.056 1
1 1095 . 1 1 1 A 88 88 VAL CA C 88 63.281 53.459 9.822 1
1 1096 . 1 1 1 A 88 88 VAL CB C 88 31.892 45.493 -13.601 1
1 1099 . 1 1 1 A 88 88 VAL N N 88 122.351 125.891 -3.540 1
1 1100 . 1 1 1 A 89 89 GLN H H 89 7.651 9.219 -1.568 1
1 1101 . 1 1 1 A 89 89 GLN HA H 89 3.946 5.471 -1.525 1
1 1108 . 1 1 1 A 89 89 GLN C C 89 175.629 174.986 0.643 1
1 1109 . 1 1 1 A 89 89 GLN CA C 89 53.861 53.323 0.538 1
1 1110 . 1 1 1 A 89 89 GLN CB C 89 31.010 45.004 -13.994 1
1 1112 . 1 1 1 A 89 89 GLN N N 89 125.820 129.126 -3.306 1
1 1114 . 1 1 1 A 90 90 ALA H H 90 7.025 9.465 -2.440 1
1 1115 . 1 1 1 A 90 90 ALA HA H 90 3.873 5.328 -1.455 1
1 1119 . 1 1 1 A 90 90 ALA C C 90 177.042 174.370 2.672 1
1 1120 . 1 1 1 A 90 90 ALA CA C 90 54.869 55.965 -1.096 1
1 1121 . 1 1 1 A 90 90 ALA CB C 90 18.818 41.089 -22.271 1
1 1122 . 1 1 1 A 90 90 ALA N N 90 118.713 127.939 -9.226 1
1 1123 . 1 1 1 A 91 91 ASP H H 91 8.310 8.458 -0.148 1
1 1124 . 1 1 1 A 91 91 ASP HA H 91 4.415 4.803 -0.388 1
1 1127 . 1 1 1 A 91 91 ASP C C 91 176.371 171.479 4.892 1
1 1128 . 1 1 1 A 91 91 ASP CA C 91 53.133 58.088 -4.955 1
1 1129 . 1 1 1 A 91 91 ASP CB C 91 39.673 72.556 -32.883 1
1 1130 . 1 1 1 A 91 91 ASP N N 91 113.050 121.490 -8.440 1
1 1132 . 1 1 1 A 92 92 ALA HA H 92 4.237 4.955 -0.718 1
1 1136 . 1 1 1 A 92 92 ALA C C 92 176.536 177.424 -0.888 1
1 1137 . 1 1 1 A 92 92 ALA CA C 92 53.721 62.917 -9.196 1
1 1138 . 1 1 1 A 92 92 ALA CB C 92 19.774 32.119 -12.345 1
1 1139 . 1 1 1 A 92 92 ALA N N 92 124.114 141.524 -17.410 1
1 1140 . 1 1 1 A 93 93 ASN H H 93 9.478 8.063 1.415 1
1 1141 . 1 1 1 A 93 93 ASN HA H 93 5.141 4.077 1.064 1
1 1146 . 1 1 1 A 93 93 ASN C C 93 173.906 176.726 -2.820 1
1 1147 . 1 1 1 A 93 93 ASN CA C 93 52.433 55.765 -3.332 1
1 1148 . 1 1 1 A 93 93 ASN CB C 93 38.547 27.640 10.907 1
1 1149 . 1 1 1 A 93 93 ASN N N 93 123.235 122.404 0.831 1
1 1151 . 1 1 1 A 94 94 LEU H H 94 8.675 7.813 0.862 1
1 1152 . 1 1 1 A 94 94 LEU HA H 94 5.429 4.081 1.348 1
1 1162 . 1 1 1 A 94 94 LEU C C 94 175.486 174.426 1.060 1
1 1163 . 1 1 1 A 94 94 LEU CA C 94 53.003 57.255 -4.252 1
1 1164 . 1 1 1 A 94 94 LEU CB C 94 44.739 28.116 16.623 1
1 1168 . 1 1 1 A 94 94 LEU N N 94 122.901 118.453 4.448 1
1 1169 . 1 1 1 A 95 95 LEU H H 95 9.412 8.643 0.769 1
1 1170 . 1 1 1 A 95 95 LEU HA H 95 5.388 4.085 1.303 1
1 1180 . 1 1 1 A 95 95 LEU C C 95 174.403 175.374 -0.971 1
1 1181 . 1 1 1 A 95 95 LEU CA C 95 53.155 56.471 -3.316 1
1 1182 . 1 1 1 A 95 95 LEU CB C 95 46.432 32.350 14.082 1
1 1186 . 1 1 1 A 95 95 LEU N N 95 126.034 117.685 8.349 1
1 3 . 2 1 1 A 1 1 GLY C C 1 173.950 176.097 -2.147 1
1 4 . 2 1 1 A 1 1 GLY CA C 1 45.289 54.557 -9.268 1
1 5 . 2 1 1 A 2 2 ILE H H 2 8.026 8.533 -0.507 1
1 6 . 2 1 1 A 2 2 ILE HA H 2 4.518 4.610 -0.092 1
1 16 . 2 1 1 A 2 2 ILE CA C 2 54.315 56.088 -1.773 1
1 17 . 2 1 1 A 2 2 ILE CB C 2 41.381 45.110 -3.729 1
1 21 . 2 1 1 A 2 2 ILE N N 2 120.237 124.422 -4.185 1
1 22 . 2 1 1 A 3 3 ASP H H 3 8.212 8.342 -0.130 1
1 25 . 2 1 1 A 3 3 ASP CB C 3 41.116 62.440 -21.324 1
1 26 . 2 1 1 A 3 3 ASP N N 3 126.816 113.301 13.515 1
1 27 . 2 1 1 A 4 4 PRO HA H 4 3.818 4.760 -0.942 1
1 28 . 2 1 1 A 4 4 PRO C C 4 176.930 174.375 2.555 1
1 29 . 2 1 1 A 4 4 PRO CA C 4 63.589 57.325 6.264 1
1 30 . 2 1 1 A 5 5 PHE H H 5 8.214 8.133 0.081 1
1 33 . 2 1 1 A 5 5 PHE C C 5 176.204 173.264 2.940 1
1 34 . 2 1 1 A 5 5 PHE CA C 5 58.089 45.264 12.825 1
1 36 . 2 1 1 A 5 5 PHE N N 5 118.317 108.325 9.992 1
1 37 . 2 1 1 A 6 6 THR H H 6 7.789 8.522 -0.733 1
1 38 . 2 1 1 A 6 6 THR HA H 6 4.268 5.027 -0.759 1
1 43 . 2 1 1 A 6 6 THR C C 6 174.096 175.488 -1.392 1
1 44 . 2 1 1 A 6 6 THR CA C 6 62.228 52.892 9.336 1
1 45 . 2 1 1 A 6 6 THR CB C 6 69.842 40.992 28.850 1
1 47 . 2 1 1 A 6 6 THR N N 6 114.242 123.068 -8.826 1
1 48 . 2 1 1 A 7 7 MET H H 7 8.077 9.045 -0.968 1
1 49 . 2 1 1 A 7 7 MET HA H 7 4.721 4.529 0.192 1
1 50 . 2 1 1 A 7 7 MET CA C 7 55.836 55.809 0.027 1
1 51 . 2 1 1 A 7 7 MET N N 7 121.684 126.977 -5.293 1
1 52 . 2 1 1 A 8 8 LEU H H 8 8.043 7.823 0.220 1
1 53 . 2 1 1 A 8 8 LEU HA H 8 4.322 4.662 -0.340 1
1 60 . 2 1 1 A 8 8 LEU CA C 8 55.142 59.833 -4.691 1
1 63 . 2 1 1 A 8 8 LEU N N 8 122.622 112.415 10.207 1
1 64 . 2 1 1 A 9 9 SER H H 9 8.263 8.985 -0.722 1
1 65 . 2 1 1 A 9 9 SER HA H 9 4.318 4.445 -0.127 1
1 68 . 2 1 1 A 9 9 SER CA C 9 58.256 59.811 -1.555 1
1 69 . 2 1 1 A 9 9 SER CB C 9 63.851 64.270 -0.419 1
1 70 . 2 1 1 A 9 9 SER N N 9 116.455 120.355 -3.900 1
1 71 . 2 1 1 A 10 10 SER H H 10 8.268 7.532 0.736 1
1 72 . 2 1 1 A 10 10 SER HA H 10 4.418 4.203 0.215 1
1 75 . 2 1 1 A 10 10 SER C C 10 175.142 176.623 -1.481 1
1 76 . 2 1 1 A 10 10 SER CA C 10 58.684 53.266 5.418 1
1 77 . 2 1 1 A 10 10 SER CB C 10 63.935 18.247 45.688 1
1 78 . 2 1 1 A 10 10 SER N N 10 117.758 122.613 -4.855 1
1 79 . 2 1 1 A 11 11 GLY H H 11 8.300 8.921 -0.621 1
1 82 . 2 1 1 A 11 11 GLY C C 11 176.844 174.069 2.775 1
1 83 . 2 1 1 A 11 11 GLY CA C 11 45.340 57.910 -12.570 1
1 84 . 2 1 1 A 11 11 GLY N N 11 110.621 118.694 -8.073 1
1 85 . 2 1 1 A 12 12 ASP H H 12 8.095 7.890 0.205 1
1 86 . 2 1 1 A 12 12 ASP HA H 12 4.520 5.380 -0.860 1
1 89 . 2 1 1 A 12 12 ASP C C 12 176.422 175.733 0.689 1
1 90 . 2 1 1 A 12 12 ASP CA C 12 54.331 55.378 -1.047 1
1 91 . 2 1 1 A 12 12 ASP CB C 12 41.101 31.161 9.940 1
1 92 . 2 1 1 A 12 12 ASP N N 12 120.276 125.926 -5.650 1
1 93 . 2 1 1 A 13 13 LEU H H 13 8.259 8.560 -0.301 1
1 94 . 2 1 1 A 13 13 LEU HA H 13 4.326 4.718 -0.392 1
1 104 . 2 1 1 A 13 13 LEU C C 13 177.829 175.528 2.301 1
1 105 . 2 1 1 A 13 13 LEU CA C 13 55.426 56.149 -0.723 1
1 106 . 2 1 1 A 13 13 LEU CB C 13 42.043 30.045 11.998 1
1 110 . 2 1 1 A 13 13 LEU N N 13 122.645 120.448 2.197 1
1 111 . 2 1 1 A 14 14 THR H H 14 8.134 9.477 -1.343 1
1 112 . 2 1 1 A 14 14 THR HA H 14 4.265 5.336 -1.071 1
1 117 . 2 1 1 A 14 14 THR C C 14 174.821 174.412 0.409 1
1 118 . 2 1 1 A 14 14 THR CA C 14 62.228 53.507 8.721 1
1 119 . 2 1 1 A 14 14 THR CB C 14 69.762 45.458 24.304 1
1 121 . 2 1 1 A 14 14 THR N N 14 114.338 127.081 -12.743 1
1 122 . 2 1 1 A 15 15 SER H H 15 8.181 8.916 -0.735 1
1 123 . 2 1 1 A 15 15 SER HA H 15 4.429 4.836 -0.407 1
1 126 . 2 1 1 A 15 15 SER C C 15 174.213 174.010 0.203 1
1 127 . 2 1 1 A 15 15 SER CA C 15 58.321 60.754 -2.433 1
1 128 . 2 1 1 A 15 15 SER CB C 15 63.826 32.873 30.953 1
1 129 . 2 1 1 A 15 15 SER N N 15 117.846 126.148 -8.302 1
1 130 . 2 1 1 A 16 16 ALA H H 16 8.284 9.588 -1.304 1
1 131 . 2 1 1 A 16 16 ALA HA H 16 4.395 4.826 -0.431 1
1 135 . 2 1 1 A 16 16 ALA C C 16 177.160 175.013 2.147 1
1 136 . 2 1 1 A 16 16 ALA CA C 16 52.623 61.107 -8.484 1
1 137 . 2 1 1 A 16 16 ALA CB C 16 19.390 32.751 -13.361 1
1 138 . 2 1 1 A 16 16 ALA N N 16 126.207 130.746 -4.539 1
1 139 . 2 1 1 A 17 17 SER H H 17 8.035 9.208 -1.173 1
1 140 . 2 1 1 A 17 17 SER HA H 17 4.891 4.852 0.039 1
1 143 . 2 1 1 A 17 17 SER C C 17 173.472 175.289 -1.817 1
1 144 . 2 1 1 A 17 17 SER CA C 17 57.547 56.081 1.466 1
1 145 . 2 1 1 A 17 17 SER CB C 17 65.420 30.935 34.485 1
1 146 . 2 1 1 A 17 17 SER N N 17 114.521 127.758 -13.237 1
1 147 . 2 1 1 A 18 18 TRP H H 18 8.523 9.365 -0.842 1
1 148 . 2 1 1 A 18 18 TRP HA H 18 4.787 4.930 -0.143 1
1 157 . 2 1 1 A 18 18 TRP C C 18 173.910 174.698 -0.788 1
1 158 . 2 1 1 A 18 18 TRP CA C 18 55.331 62.168 -6.837 1
1 159 . 2 1 1 A 18 18 TRP CB C 18 30.044 32.236 -2.192 1
1 165 . 2 1 1 A 18 18 TRP N N 18 120.348 126.166 -5.818 1
1 167 . 2 1 1 A 19 19 GLU H H 19 8.542 9.511 -0.969 1
1 168 . 2 1 1 A 19 19 GLU HA H 19 4.957 5.172 -0.215 1
1 173 . 2 1 1 A 19 19 GLU C C 19 175.089 174.780 0.309 1
1 174 . 2 1 1 A 19 19 GLU CA C 19 55.735 52.803 2.932 1
1 175 . 2 1 1 A 19 19 GLU CB C 19 31.683 42.591 -10.908 1
1 177 . 2 1 1 A 19 19 GLU N N 19 117.964 128.814 -10.850 1
1 178 . 2 1 1 A 20 20 LEU H H 20 8.813 9.108 -0.295 1
1 179 . 2 1 1 A 20 20 LEU HA H 20 4.794 4.968 -0.174 1
1 189 . 2 1 1 A 20 20 LEU C C 20 174.656 175.516 -0.860 1
1 190 . 2 1 1 A 20 20 LEU CA C 20 53.195 54.319 -1.124 1
1 191 . 2 1 1 A 20 20 LEU CB C 20 46.182 32.434 13.748 1
1 195 . 2 1 1 A 20 20 LEU N N 20 125.925 123.719 2.206 1
1 196 . 2 1 1 A 21 21 VAL H H 21 8.827 8.769 0.058 1
1 197 . 2 1 1 A 21 21 VAL HA H 21 4.499 4.161 0.338 1
1 205 . 2 1 1 A 21 21 VAL C C 21 176.157 177.259 -1.102 1
1 206 . 2 1 1 A 21 21 VAL CA C 21 62.260 54.374 7.886 1
1 207 . 2 1 1 A 21 21 VAL CB C 21 31.627 19.395 12.232 1
1 210 . 2 1 1 A 21 21 VAL N N 21 127.297 124.222 3.075 1
1 211 . 2 1 1 A 22 22 VAL H H 22 9.178 7.865 1.313 1
1 212 . 2 1 1 A 22 22 VAL HA H 22 4.348 5.104 -0.756 1
1 220 . 2 1 1 A 22 22 VAL C C 22 175.253 174.269 0.984 1
1 221 . 2 1 1 A 22 22 VAL CA C 22 60.925 52.346 8.579 1
1 222 . 2 1 1 A 22 22 VAL CB C 22 34.352 41.590 -7.238 1
1 225 . 2 1 1 A 22 22 VAL N N 22 129.937 114.032 15.905 1
1 226 . 2 1 1 A 23 23 ARG H H 23 8.104 8.411 -0.307 1
1 235 . 2 1 1 A 23 23 ARG C C 23 174.950 173.940 1.010 1
1 236 . 2 1 1 A 23 23 ARG CA C 23 55.516 44.294 11.222 1
1 240 . 2 1 1 A 23 23 ARG N N 23 125.848 110.498 15.350 1
1 242 . 2 1 1 A 24 24 VAL H H 24 9.325 8.711 0.614 1
1 243 . 2 1 1 A 24 24 VAL HA H 24 5.011 4.102 0.909 1
1 251 . 2 1 1 A 24 24 VAL C C 24 175.449 174.795 0.654 1
1 252 . 2 1 1 A 24 24 VAL CA C 24 61.634 58.461 3.173 1
1 253 . 2 1 1 A 24 24 VAL CB C 24 33.928 28.241 5.687 1
1 256 . 2 1 1 A 24 24 VAL N N 24 124.136 119.424 4.712 1
1 257 . 2 1 1 A 25 25 ASP H H 25 8.414 8.528 -0.114 1
1 258 . 2 1 1 A 25 25 ASP HA H 25 5.220 4.613 0.607 1
1 261 . 2 1 1 A 25 25 ASP C C 25 176.671 175.811 0.860 1
1 262 . 2 1 1 A 25 25 ASP CA C 25 52.956 54.804 -1.848 1
1 263 . 2 1 1 A 25 25 ASP CB C 25 43.473 30.836 12.637 1
1 264 . 2 1 1 A 25 25 ASP N N 25 126.172 121.045 5.127 1
1 265 . 2 1 1 A 26 26 HIS H H 26 9.152 8.419 0.733 1
1 266 . 2 1 1 A 26 26 HIS HA H 26 4.542 5.016 -0.474 1
1 271 . 2 1 1 A 26 26 HIS C C 26 174.917 174.966 -0.049 1
1 272 . 2 1 1 A 26 26 HIS CA C 26 56.700 55.953 0.747 1
1 273 . 2 1 1 A 26 26 HIS CB C 26 30.185 28.419 1.766 1
1 276 . 2 1 1 A 26 26 HIS N N 26 124.402 120.136 4.266 1
1 277 . 2 1 1 A 27 27 ALA H H 27 9.121 8.869 0.252 1
1 278 . 2 1 1 A 27 27 ALA HA H 27 3.984 4.574 -0.590 1
1 282 . 2 1 1 A 27 27 ALA C C 27 176.927 174.066 2.861 1
1 283 . 2 1 1 A 27 27 ALA CA C 27 53.240 63.657 -10.417 1
1 284 . 2 1 1 A 27 27 ALA CB C 27 17.122 69.277 -52.155 1
1 285 . 2 1 1 A 27 27 ALA N N 27 121.895 121.876 0.019 1
1 286 . 2 1 1 A 28 28 ASN H H 28 8.140 8.895 -0.755 1
1 287 . 2 1 1 A 28 28 ASN HA H 28 4.628 5.244 -0.616 1
1 292 . 2 1 1 A 28 28 ASN C C 28 176.389 175.361 1.028 1
1 293 . 2 1 1 A 28 28 ASN CA C 28 52.466 55.432 -2.966 1
1 294 . 2 1 1 A 28 28 ASN CB C 28 38.624 30.817 7.807 1
1 295 . 2 1 1 A 28 28 ASN N N 28 114.287 126.535 -12.248 1
1 297 . 2 1 1 A 29 29 GLY H H 29 8.254 9.122 -0.868 1
1 300 . 2 1 1 A 29 29 GLY C C 29 174.848 175.066 -0.218 1
1 301 . 2 1 1 A 29 29 GLY CA C 29 45.354 60.213 -14.859 1
1 302 . 2 1 1 A 29 29 GLY N N 29 108.650 126.839 -18.189 1
1 303 . 2 1 1 A 30 30 GLU H H 30 7.860 9.009 -1.149 1
1 304 . 2 1 1 A 30 30 GLU HA H 30 4.267 5.218 -0.951 1
1 309 . 2 1 1 A 30 30 GLU C C 30 176.802 174.016 2.786 1
1 310 . 2 1 1 A 30 30 GLU CA C 30 56.348 61.934 -5.586 1
1 311 . 2 1 1 A 30 30 GLU CB C 30 30.460 69.078 -38.618 1
1 313 . 2 1 1 A 30 30 GLU N N 30 119.375 124.057 -4.682 1
1 314 . 2 1 1 A 31 31 GLN H H 31 8.280 8.981 -0.701 1
1 315 . 2 1 1 A 31 31 GLN HA H 31 4.222 5.024 -0.802 1
1 322 . 2 1 1 A 31 31 GLN C C 31 175.995 175.715 0.280 1
1 323 . 2 1 1 A 31 31 GLN CA C 31 55.917 53.066 2.851 1
1 324 . 2 1 1 A 31 31 GLN CB C 31 30.002 44.310 -14.308 1
1 326 . 2 1 1 A 31 31 GLN N N 31 120.036 127.581 -7.545 1
1 328 . 2 1 1 A 32 32 GLN H H 32 7.520 8.515 -0.995 1
1 329 . 2 1 1 A 32 32 GLN HA H 32 4.905 5.053 -0.148 1
1 336 . 2 1 1 A 32 32 GLN C C 32 176.112 175.650 0.462 1
1 337 . 2 1 1 A 32 32 GLN CA C 32 56.211 55.486 0.725 1
1 338 . 2 1 1 A 32 32 GLN CB C 32 30.863 30.747 0.116 1
1 340 . 2 1 1 A 32 32 GLN N N 32 123.146 124.097 -0.951 1
1 342 . 2 1 1 A 33 33 THR H H 33 8.533 8.587 -0.054 1
1 343 . 2 1 1 A 33 33 THR HA H 33 4.621 4.632 -0.011 1
1 348 . 2 1 1 A 33 33 THR C C 33 173.112 174.941 -1.829 1
1 349 . 2 1 1 A 33 33 THR CA C 33 61.506 59.242 2.264 1
1 350 . 2 1 1 A 33 33 THR CB C 33 71.605 34.328 37.277 1
1 352 . 2 1 1 A 33 33 THR N N 33 118.233 117.835 0.398 1
1 353 . 2 1 1 A 34 34 GLU H H 34 8.711 8.538 0.173 1
1 354 . 2 1 1 A 34 34 GLU HA H 34 4.939 5.192 -0.253 1
1 359 . 2 1 1 A 34 34 GLU C C 34 175.108 176.436 -1.328 1
1 360 . 2 1 1 A 34 34 GLU CA C 34 55.553 56.567 -1.014 1
1 361 . 2 1 1 A 34 34 GLU CB C 34 31.950 65.526 -33.576 1
1 363 . 2 1 1 A 34 34 GLU N N 34 124.692 116.106 8.586 1
1 364 . 2 1 1 A 35 35 ILE H H 35 9.115 8.552 0.563 1
1 375 . 2 1 1 A 35 35 ILE C C 35 174.282 174.497 -0.215 1
1 376 . 2 1 1 A 35 35 ILE CA C 35 59.057 47.025 12.032 1
1 381 . 2 1 1 A 35 35 ILE N N 35 127.113 109.118 17.995 1
1 382 . 2 1 1 A 36 36 THR H H 36 8.545 7.981 0.564 1
1 383 . 2 1 1 A 36 36 THR HA H 36 4.772 4.741 0.031 1
1 388 . 2 1 1 A 36 36 THR C C 36 174.054 175.495 -1.441 1
1 389 . 2 1 1 A 36 36 THR CA C 36 62.257 54.332 7.925 1
1 390 . 2 1 1 A 36 36 THR CB C 36 68.948 41.261 27.687 1
1 392 . 2 1 1 A 36 36 THR N N 36 123.057 118.668 4.389 1
1 393 . 2 1 1 A 37 37 LEU H H 37 9.161 7.293 1.868 1
1 394 . 2 1 1 A 37 37 LEU HA H 37 4.503 4.695 -0.192 1
1 404 . 2 1 1 A 37 37 LEU C C 37 175.047 175.895 -0.848 1
1 405 . 2 1 1 A 37 37 LEU CA C 37 52.646 53.495 -0.849 1
1 406 . 2 1 1 A 37 37 LEU CB C 37 45.951 43.795 2.156 1
1 410 . 2 1 1 A 37 37 LEU N N 37 128.195 122.610 5.585 1
1 411 . 2 1 1 A 38 38 ARG H H 38 8.258 8.635 -0.377 1
1 412 . 2 1 1 A 38 38 ARG HA H 38 4.556 5.193 -0.637 1
1 420 . 2 1 1 A 38 38 ARG C C 38 175.726 176.396 -0.670 1
1 421 . 2 1 1 A 38 38 ARG CA C 38 55.701 55.120 0.581 1
1 422 . 2 1 1 A 38 38 ARG CB C 38 29.601 31.629 -2.028 1
1 425 . 2 1 1 A 38 38 ARG N N 38 122.992 121.703 1.289 1
1 427 . 2 1 1 A 39 39 VAL H H 39 8.635 9.244 -0.609 1
1 428 . 2 1 1 A 39 39 VAL HA H 39 4.358 3.551 0.807 1
1 436 . 2 1 1 A 39 39 VAL C C 39 172.241 178.494 -6.253 1
1 437 . 2 1 1 A 39 39 VAL CA C 39 58.334 65.129 -6.795 1
1 438 . 2 1 1 A 39 39 VAL CB C 39 35.214 38.035 -2.821 1
1 441 . 2 1 1 A 39 39 VAL N N 39 118.388 120.918 -2.530 1
1 442 . 2 1 1 A 40 40 SER H H 40 6.388 8.300 -1.912 1
1 446 . 2 1 1 A 40 40 SER C C 40 175.046 176.754 -1.708 1
1 447 . 2 1 1 A 40 40 SER CA C 40 56.216 47.272 8.944 1
1 449 . 2 1 1 A 40 40 SER N N 40 108.799 107.974 0.825 1
1 450 . 2 1 1 A 41 41 GLY H H 41 9.085 8.076 1.009 1
1 451 . 2 1 1 A 41 41 GLY HA2 H 41 3.850 3.232 0.618 1
1 452 . 2 1 1 A 41 41 GLY HA3 H 41 4.321 3.579 0.742 1
1 453 . 2 1 1 A 41 41 GLY C C 41 173.137 175.928 -2.791 1
1 454 . 2 1 1 A 41 41 GLY CA C 41 47.346 46.559 0.787 1
1 455 . 2 1 1 A 41 41 GLY N N 41 107.767 109.561 -1.794 1
1 456 . 2 1 1 A 42 42 ASP H H 42 7.994 7.733 0.261 1
1 457 . 2 1 1 A 42 42 ASP HA H 42 4.498 3.547 0.951 1
1 460 . 2 1 1 A 42 42 ASP C C 42 175.609 177.457 -1.848 1
1 461 . 2 1 1 A 42 42 ASP CA C 42 53.241 65.721 -12.480 1
1 462 . 2 1 1 A 42 42 ASP CB C 42 40.331 31.547 8.784 1
1 463 . 2 1 1 A 42 42 ASP N N 42 112.956 121.634 -8.678 1
1 464 . 2 1 1 A 43 43 LEU H H 43 7.431 8.086 -0.655 1
1 465 . 2 1 1 A 43 43 LEU HA H 43 4.210 3.448 0.762 1
1 475 . 2 1 1 A 43 43 LEU C C 43 175.552 178.326 -2.774 1
1 476 . 2 1 1 A 43 43 LEU CA C 43 55.199 58.981 -3.782 1
1 477 . 2 1 1 A 43 43 LEU CB C 43 42.398 32.681 9.717 1
1 481 . 2 1 1 A 43 43 LEU N N 43 123.293 117.487 5.806 1
1 482 . 2 1 1 A 44 44 HIS H H 44 8.405 7.732 0.673 1
1 483 . 2 1 1 A 44 44 HIS HA H 44 5.154 3.923 1.231 1
1 488 . 2 1 1 A 44 44 HIS C C 44 177.511 178.573 -1.062 1
1 489 . 2 1 1 A 44 44 HIS CA C 44 54.692 57.859 -3.167 1
1 490 . 2 1 1 A 44 44 HIS CB C 44 30.868 41.706 -10.838 1
1 493 . 2 1 1 A 44 44 HIS N N 44 121.975 121.075 0.900 1
1 494 . 2 1 1 A 45 45 ILE H H 45 8.628 7.456 1.172 1
1 495 . 2 1 1 A 45 45 ILE HA H 45 3.445 3.905 -0.460 1
1 505 . 2 1 1 A 45 45 ILE C C 45 179.116 178.905 0.211 1
1 506 . 2 1 1 A 45 45 ILE CA C 45 62.585 59.233 3.352 1
1 507 . 2 1 1 A 45 45 ILE CB C 45 35.492 31.663 3.829 1
1 511 . 2 1 1 A 45 45 ILE N N 45 124.304 118.823 5.481 1
1 512 . 2 1 1 A 46 46 GLY H H 46 9.792 7.593 2.199 1
1 515 . 2 1 1 A 46 46 GLY C C 46 175.742 178.628 -2.886 1
1 516 . 2 1 1 A 46 46 GLY CA C 46 46.812 57.903 -11.091 1
1 517 . 2 1 1 A 46 46 GLY N N 46 106.610 120.404 -13.794 1
1 518 . 2 1 1 A 47 47 GLY H H 47 6.761 7.508 -0.747 1
1 521 . 2 1 1 A 47 47 GLY C C 47 176.182 177.941 -1.759 1
1 522 . 2 1 1 A 47 47 GLY CA C 47 46.819 66.485 -19.666 1
1 523 . 2 1 1 A 47 47 GLY N N 47 109.580 117.515 -7.935 1
1 524 . 2 1 1 A 48 48 VAL H H 48 7.669 8.040 -0.371 1
1 525 . 2 1 1 A 48 48 VAL HA H 48 3.083 3.899 -0.816 1
1 533 . 2 1 1 A 48 48 VAL C C 48 176.849 178.431 -1.582 1
1 534 . 2 1 1 A 48 48 VAL CA C 48 66.775 58.901 7.874 1
1 535 . 2 1 1 A 48 48 VAL CB C 48 30.944 29.213 1.731 1
1 538 . 2 1 1 A 48 48 VAL N N 48 123.461 119.838 3.623 1
1 539 . 2 1 1 A 49 49 MET H H 49 7.632 7.737 -0.105 1
1 540 . 2 1 1 A 49 49 MET HA H 49 3.143 4.046 -0.903 1
1 548 . 2 1 1 A 49 49 MET C C 49 176.774 177.809 -1.035 1
1 549 . 2 1 1 A 49 49 MET CA C 49 59.972 58.524 1.448 1
1 550 . 2 1 1 A 49 49 MET CB C 49 33.142 28.602 4.540 1
1 553 . 2 1 1 A 49 49 MET N N 49 115.691 119.104 -3.413 1
1 554 . 2 1 1 A 50 50 LEU H H 50 7.535 7.992 -0.457 1
1 555 . 2 1 1 A 50 50 LEU HA H 50 3.821 4.473 -0.652 1
1 565 . 2 1 1 A 50 50 LEU C C 50 179.001 175.908 3.093 1
1 566 . 2 1 1 A 50 50 LEU CA C 50 57.910 58.118 -0.208 1
1 567 . 2 1 1 A 50 50 LEU CB C 50 41.821 33.007 8.814 1
1 571 . 2 1 1 A 50 50 LEU N N 50 117.445 116.892 0.553 1
1 572 . 2 1 1 A 51 51 LYS H H 51 7.447 8.114 -0.667 1
1 573 . 2 1 1 A 51 51 LYS HA H 51 3.880 4.364 -0.484 1
1 582 . 2 1 1 A 51 51 LYS C C 51 178.975 174.071 4.904 1
1 583 . 2 1 1 A 51 51 LYS CA C 51 59.003 54.208 4.795 1
1 584 . 2 1 1 A 51 51 LYS CB C 51 32.890 36.848 -3.958 1
1 588 . 2 1 1 A 51 51 LYS N N 51 118.306 114.477 3.829 1
1 589 . 2 1 1 A 52 52 LEU H H 52 7.547 8.169 -0.622 1
1 590 . 2 1 1 A 52 52 LEU HA H 52 3.523 4.625 -1.102 1
1 600 . 2 1 1 A 52 52 LEU C C 52 177.676 175.478 2.198 1
1 601 . 2 1 1 A 52 52 LEU CA C 52 58.038 59.713 -1.675 1
1 602 . 2 1 1 A 52 52 LEU CB C 52 41.660 40.508 1.152 1
1 606 . 2 1 1 A 52 52 LEU N N 52 119.198 119.187 0.011 1
1 607 . 2 1 1 A 53 53 VAL H H 53 7.368 8.478 -1.110 1
1 608 . 2 1 1 A 53 53 VAL HA H 53 2.469 4.548 -2.079 1
1 616 . 2 1 1 A 53 53 VAL C C 53 179.189 176.498 2.691 1
1 617 . 2 1 1 A 53 53 VAL CA C 53 66.706 52.139 14.567 1
1 618 . 2 1 1 A 53 53 VAL CB C 53 31.343 18.261 13.082 1
1 621 . 2 1 1 A 53 53 VAL N N 53 117.879 129.835 -11.956 1
1 622 . 2 1 1 A 54 54 GLU H H 54 7.966 8.085 -0.119 1
1 623 . 2 1 1 A 54 54 GLU HA H 54 3.865 4.728 -0.863 1
1 628 . 2 1 1 A 54 54 GLU C C 54 178.593 172.929 5.664 1
1 629 . 2 1 1 A 54 54 GLU CA C 54 58.935 54.865 4.070 1
1 630 . 2 1 1 A 54 54 GLU CB C 54 29.772 30.677 -0.905 1
1 632 . 2 1 1 A 54 54 GLU N N 54 119.295 120.799 -1.504 1
1 633 . 2 1 1 A 55 55 GLN H H 55 7.651 8.489 -0.838 1
1 634 . 2 1 1 A 55 55 GLN HA H 55 4.005 4.939 -0.934 1
1 641 . 2 1 1 A 55 55 GLN C C 55 177.512 176.485 1.027 1
1 642 . 2 1 1 A 55 55 GLN CA C 55 57.362 52.701 4.661 1
1 643 . 2 1 1 A 55 55 GLN CB C 55 28.938 41.711 -12.773 1
1 645 . 2 1 1 A 55 55 GLN N N 55 116.036 120.096 -4.060 1
1 647 . 2 1 1 A 56 56 MET H H 56 7.691 8.818 -1.127 1
1 648 . 2 1 1 A 56 56 MET HA H 56 4.316 4.806 -0.490 1
1 656 . 2 1 1 A 56 56 MET C C 56 176.572 177.081 -0.509 1
1 657 . 2 1 1 A 56 56 MET CA C 56 56.492 56.952 -0.460 1
1 658 . 2 1 1 A 56 56 MET CB C 56 32.901 29.331 3.570 1
1 661 . 2 1 1 A 56 56 MET N N 56 117.664 123.646 -5.982 1
1 662 . 2 1 1 A 57 57 ASN H H 57 7.816 7.982 -0.166 1
1 663 . 2 1 1 A 57 57 ASN HA H 57 4.495 4.356 0.139 1
1 668 . 2 1 1 A 57 57 ASN C C 57 174.613 175.121 -0.508 1
1 669 . 2 1 1 A 57 57 ASN CA C 57 53.813 61.628 -7.815 1
1 670 . 2 1 1 A 57 57 ASN CB C 57 37.713 63.194 -25.481 1
1 671 . 2 1 1 A 57 57 ASN N N 57 115.864 115.827 0.037 1
1 673 . 2 1 1 A 58 58 ILE H H 58 8.391 7.802 0.589 1
1 674 . 2 1 1 A 58 58 ILE HA H 58 4.284 4.886 -0.602 1
1 684 . 2 1 1 A 58 58 ILE C C 58 175.277 174.862 0.415 1
1 685 . 2 1 1 A 58 58 ILE CA C 58 60.631 53.255 7.376 1
1 686 . 2 1 1 A 58 58 ILE CB C 58 41.470 41.380 0.090 1
1 690 . 2 1 1 A 58 58 ILE N N 58 117.760 120.061 -2.301 1
1 691 . 2 1 1 A 59 59 ALA H H 59 8.438 8.548 -0.110 1
1 692 . 2 1 1 A 59 59 ALA HA H 59 4.535 4.815 -0.280 1
1 696 . 2 1 1 A 59 59 ALA C C 59 175.554 173.993 1.561 1
1 697 . 2 1 1 A 59 59 ALA CA C 59 51.604 57.600 -5.996 1
1 698 . 2 1 1 A 59 59 ALA CB C 59 17.256 42.387 -25.131 1
1 699 . 2 1 1 A 59 59 ALA N N 59 129.371 125.444 3.927 1
1 700 . 2 1 1 A 60 60 GLN H H 60 7.498 8.246 -0.748 1
1 701 . 2 1 1 A 60 60 GLN HA H 60 4.291 5.160 -0.869 1
1 708 . 2 1 1 A 60 60 GLN C C 60 172.908 176.656 -3.748 1
1 709 . 2 1 1 A 60 60 GLN CA C 60 53.492 51.476 2.016 1
1 710 . 2 1 1 A 60 60 GLN CB C 60 30.340 23.276 7.064 1
1 712 . 2 1 1 A 60 60 GLN N N 60 120.550 123.992 -3.442 1
1 714 . 2 1 1 A 61 61 ASP H H 61 8.086 8.849 -0.763 1
1 715 . 2 1 1 A 61 61 ASP HA H 61 4.622 5.081 -0.459 1
1 718 . 2 1 1 A 61 61 ASP C C 61 177.529 176.176 1.353 1
1 719 . 2 1 1 A 61 61 ASP CA C 61 53.520 55.142 -1.622 1
1 720 . 2 1 1 A 61 61 ASP CB C 61 40.493 42.630 -2.137 1
1 721 . 2 1 1 A 61 61 ASP N N 61 118.225 119.844 -1.619 1
1 722 . 2 1 1 A 62 62 TRP H H 62 8.999 9.624 -0.625 1
1 723 . 2 1 1 A 62 62 TRP HA H 62 4.578 5.088 -0.510 1
1 732 . 2 1 1 A 62 62 TRP C C 62 178.609 174.775 3.834 1
1 733 . 2 1 1 A 62 62 TRP CA C 62 57.200 54.899 2.301 1
1 734 . 2 1 1 A 62 62 TRP CB C 62 29.155 31.035 -1.880 1
1 740 . 2 1 1 A 62 62 TRP N N 62 129.134 126.583 2.551 1
1 742 . 2 1 1 A 63 63 SER H H 63 8.756 8.955 -0.199 1
1 743 . 2 1 1 A 63 63 SER HA H 63 4.127 4.703 -0.576 1
1 746 . 2 1 1 A 63 63 SER C C 63 175.119 175.534 -0.415 1
1 747 . 2 1 1 A 63 63 SER CA C 63 62.933 55.888 7.045 1
1 748 . 2 1 1 A 63 63 SER CB C 63 63.120 29.448 33.672 1
1 749 . 2 1 1 A 63 63 SER N N 63 119.231 129.437 -10.206 1
1 750 . 2 1 1 A 64 64 ASP H H 64 9.095 8.371 0.724 1
1 751 . 2 1 1 A 64 64 ASP HA H 64 4.876 3.644 1.232 1
1 754 . 2 1 1 A 64 64 ASP C C 64 177.267 178.278 -1.011 1
1 755 . 2 1 1 A 64 64 ASP CA C 64 54.157 59.398 -5.241 1
1 756 . 2 1 1 A 64 64 ASP CB C 64 43.116 29.412 13.704 1
1 757 . 2 1 1 A 64 64 ASP N N 64 120.137 125.790 -5.653 1
1 758 . 2 1 1 A 65 65 TYR H H 65 7.991 8.190 -0.199 1
1 759 . 2 1 1 A 65 65 TYR HA H 65 4.151 4.045 0.106 1
1 766 . 2 1 1 A 65 65 TYR C C 65 175.746 177.497 -1.751 1
1 767 . 2 1 1 A 65 65 TYR CA C 65 59.053 58.414 0.639 1
1 768 . 2 1 1 A 65 65 TYR CB C 65 38.836 28.377 10.459 1
1 773 . 2 1 1 A 65 65 TYR N N 65 121.458 119.623 1.835 1
1 774 . 2 1 1 A 66 66 ALA H H 66 8.698 7.180 1.518 1
1 775 . 2 1 1 A 66 66 ALA HA H 66 4.794 3.967 0.827 1
1 779 . 2 1 1 A 66 66 ALA C C 66 175.126 175.269 -0.143 1
1 780 . 2 1 1 A 66 66 ALA CA C 66 51.166 55.770 -4.604 1
1 781 . 2 1 1 A 66 66 ALA CB C 66 23.771 32.059 -8.288 1
1 782 . 2 1 1 A 66 66 ALA N N 66 122.944 117.062 5.882 1
1 783 . 2 1 1 A 67 67 LEU H H 67 9.131 7.276 1.855 1
1 784 . 2 1 1 A 67 67 LEU HA H 67 5.498 3.204 2.294 1
1 794 . 2 1 1 A 67 67 LEU C C 67 174.489 174.059 0.430 1
1 795 . 2 1 1 A 67 67 LEU CA C 67 53.987 56.620 -2.633 1
1 796 . 2 1 1 A 67 67 LEU CB C 67 44.080 27.420 16.660 1
1 800 . 2 1 1 A 67 67 LEU N N 67 118.646 116.135 2.511 1
1 801 . 2 1 1 A 68 68 TRP H H 68 9.934 6.467 3.467 1
1 802 . 2 1 1 A 68 68 TRP HA H 68 4.680 4.951 -0.271 1
1 811 . 2 1 1 A 68 68 TRP C C 68 174.148 172.855 1.293 1
1 812 . 2 1 1 A 68 68 TRP CA C 68 55.276 57.771 -2.495 1
1 813 . 2 1 1 A 68 68 TRP CB C 68 30.222 31.789 -1.567 1
1 819 . 2 1 1 A 68 68 TRP N N 68 126.978 115.514 11.464 1
1 821 . 2 1 1 A 69 69 TRP H H 69 8.507 8.915 -0.408 1
1 822 . 2 1 1 A 69 69 TRP HA H 69 5.060 5.417 -0.357 1
1 831 . 2 1 1 A 69 69 TRP C C 69 175.837 176.017 -0.180 1
1 832 . 2 1 1 A 69 69 TRP CA C 69 52.520 56.412 -3.892 1
1 833 . 2 1 1 A 69 69 TRP CB C 69 30.500 31.217 -0.717 1
1 839 . 2 1 1 A 69 69 TRP N N 69 129.756 123.771 5.985 1
1 841 . 2 1 1 A 70 70 GLU H H 70 8.917 9.719 -0.802 1
1 842 . 2 1 1 A 70 70 GLU HA H 70 3.817 4.641 -0.824 1
1 847 . 2 1 1 A 70 70 GLU C C 70 179.449 177.001 2.448 1
1 848 . 2 1 1 A 70 70 GLU CA C 70 60.208 54.538 5.670 1
1 849 . 2 1 1 A 70 70 GLU CB C 70 29.937 41.207 -11.270 1
1 851 . 2 1 1 A 70 70 GLU N N 70 126.517 126.456 0.061 1
1 852 . 2 1 1 A 71 71 GLN H H 71 8.515 8.520 -0.005 1
1 853 . 2 1 1 A 71 71 GLN HA H 71 3.782 4.714 -0.932 1
1 860 . 2 1 1 A 71 71 GLN C C 71 177.266 176.922 0.344 1
1 861 . 2 1 1 A 71 71 GLN CA C 71 61.006 54.145 6.861 1
1 862 . 2 1 1 A 71 71 GLN CB C 71 27.451 42.621 -15.170 1
1 864 . 2 1 1 A 71 71 GLN N N 71 114.822 125.952 -11.130 1
1 866 . 2 1 1 A 72 72 LYS H H 72 5.086 7.501 -2.415 1
1 867 . 2 1 1 A 72 72 LYS HA H 72 3.719 4.556 -0.837 1
1 876 . 2 1 1 A 72 72 LYS C C 72 174.268 177.518 -3.250 1
1 877 . 2 1 1 A 72 72 LYS CA C 72 53.864 54.891 -1.027 1
1 878 . 2 1 1 A 72 72 LYS CB C 72 33.242 30.063 3.179 1
1 882 . 2 1 1 A 72 72 LYS N N 72 112.499 120.439 -7.940 1
1 883 . 2 1 1 A 73 73 ARG H H 73 7.402 8.039 -0.637 1
1 884 . 2 1 1 A 73 73 ARG HA H 73 2.800 4.200 -1.400 1
1 892 . 2 1 1 A 73 73 ARG C C 73 173.935 175.495 -1.560 1
1 893 . 2 1 1 A 73 73 ARG CA C 73 56.187 64.586 -8.399 1
1 894 . 2 1 1 A 73 73 ARG CB C 73 26.602 68.787 -42.185 1
1 897 . 2 1 1 A 73 73 ARG N N 73 118.477 113.820 4.657 1
1 899 . 2 1 1 A 74 74 CYS H H 74 6.242 7.719 -1.477 1
1 900 . 2 1 1 A 74 74 CYS HA H 74 4.671 4.523 0.148 1
1 903 . 2 1 1 A 74 74 CYS C C 74 171.332 175.000 -3.668 1
1 904 . 2 1 1 A 74 74 CYS CA C 74 54.443 57.150 -2.707 1
1 905 . 2 1 1 A 74 74 CYS CB C 74 31.599 29.662 1.937 1
1 906 . 2 1 1 A 74 74 CYS N N 74 110.705 118.807 -8.102 1
1 907 . 2 1 1 A 75 75 TRP H H 75 8.567 8.029 0.538 1
1 908 . 2 1 1 A 75 75 TRP HA H 75 5.414 4.913 0.501 1
1 917 . 2 1 1 A 75 75 TRP C C 75 177.638 176.610 1.028 1
1 918 . 2 1 1 A 75 75 TRP CA C 75 55.720 56.402 -0.682 1
1 919 . 2 1 1 A 75 75 TRP CB C 75 30.966 31.218 -0.252 1
1 925 . 2 1 1 A 75 75 TRP N N 75 120.876 120.131 0.745 1
1 927 . 2 1 1 A 76 76 LEU H H 76 9.181 8.837 0.344 1
1 928 . 2 1 1 A 76 76 LEU HA H 76 4.737 5.083 -0.346 1
1 938 . 2 1 1 A 76 76 LEU C C 76 175.745 176.338 -0.593 1
1 939 . 2 1 1 A 76 76 LEU CA C 76 53.729 60.463 -6.734 1
1 940 . 2 1 1 A 76 76 LEU CB C 76 40.810 71.542 -30.732 1
1 944 . 2 1 1 A 76 76 LEU N N 76 125.488 115.081 10.407 1
1 945 . 2 1 1 A 77 77 LEU H H 77 7.711 8.810 -1.099 1
1 946 . 2 1 1 A 77 77 LEU HA H 77 4.416 4.103 0.313 1
1 956 . 2 1 1 A 77 77 LEU C C 77 178.257 178.858 -0.601 1
1 957 . 2 1 1 A 77 77 LEU CA C 77 54.539 58.336 -3.797 1
1 958 . 2 1 1 A 77 77 LEU CB C 77 42.566 41.706 0.860 1
1 962 . 2 1 1 A 77 77 LEU N N 77 119.493 123.143 -3.650 1
1 963 . 2 1 1 A 78 78 LYS H H 78 8.173 8.079 0.094 1
1 964 . 2 1 1 A 78 78 LYS HA H 78 4.380 4.309 0.071 1
1 973 . 2 1 1 A 78 78 LYS C C 78 177.029 178.912 -1.883 1
1 974 . 2 1 1 A 78 78 LYS CA C 78 54.048 57.950 -3.902 1
1 975 . 2 1 1 A 78 78 LYS CB C 78 28.755 41.963 -13.208 1
1 979 . 2 1 1 A 78 78 LYS N N 78 121.730 119.507 2.223 1
1 980 . 2 1 1 A 79 79 THR H H 79 7.812 7.671 0.141 1
1 981 . 2 1 1 A 79 79 THR HA H 79 3.677 4.023 -0.346 1
1 986 . 2 1 1 A 79 79 THR C C 79 175.193 178.977 -3.784 1
1 987 . 2 1 1 A 79 79 THR CA C 79 64.890 58.741 6.149 1
1 988 . 2 1 1 A 79 79 THR CB C 79 68.447 31.721 36.726 1
1 990 . 2 1 1 A 79 79 THR N N 79 114.142 119.281 -5.139 1
1 991 . 2 1 1 A 80 80 HIS H H 80 8.929 8.052 0.877 1
1 992 . 2 1 1 A 80 80 HIS HA H 80 4.759 4.890 -0.131 1
1 995 . 2 1 1 A 80 80 HIS C C 80 175.622 175.458 0.164 1
1 996 . 2 1 1 A 80 80 HIS CA C 80 56.078 59.775 -3.697 1
1 997 . 2 1 1 A 80 80 HIS CB C 80 29.927 28.069 1.858 1
1 998 . 2 1 1 A 80 80 HIS N N 80 117.372 115.411 1.961 1
1 999 . 2 1 1 A 81 81 TRP H H 81 8.544 8.342 0.202 1
1 1009 . 2 1 1 A 81 81 TRP C C 81 175.952 174.289 1.663 1
1 1010 . 2 1 1 A 81 81 TRP CA C 81 56.009 45.453 10.556 1
1 1017 . 2 1 1 A 81 81 TRP N N 81 122.512 109.214 13.298 1
1 1019 . 2 1 1 A 82 82 THR H H 82 7.587 7.556 0.031 1
1 1020 . 2 1 1 A 82 82 THR HA H 82 4.725 4.212 0.513 1
1 1025 . 2 1 1 A 82 82 THR C C 82 176.305 174.957 1.348 1
1 1026 . 2 1 1 A 82 82 THR CA C 82 60.250 61.408 -1.158 1
1 1027 . 2 1 1 A 82 82 THR CB C 82 70.601 31.636 38.965 1
1 1029 . 2 1 1 A 82 82 THR N N 82 109.728 122.219 -12.491 1
1 1030 . 2 1 1 A 83 83 LEU H H 83 8.354 8.933 -0.579 1
1 1031 . 2 1 1 A 83 83 LEU HA H 83 3.798 4.058 -0.260 1
1 1040 . 2 1 1 A 83 83 LEU C C 83 179.461 176.746 2.715 1
1 1041 . 2 1 1 A 83 83 LEU CA C 83 59.442 54.029 5.413 1
1 1042 . 2 1 1 A 83 83 LEU CB C 83 40.758 30.250 10.508 1
1 1045 . 2 1 1 A 83 83 LEU N N 83 122.120 127.303 -5.183 1
1 1046 . 2 1 1 A 84 84 ASP H H 84 8.985 8.133 0.852 1
1 1047 . 2 1 1 A 84 84 ASP HA H 84 4.427 4.113 0.314 1
1 1050 . 2 1 1 A 84 84 ASP C C 84 179.464 178.114 1.350 1
1 1051 . 2 1 1 A 84 84 ASP CA C 84 57.459 54.076 3.383 1
1 1052 . 2 1 1 A 84 84 ASP CB C 84 40.243 18.339 21.904 1
1 1053 . 2 1 1 A 84 84 ASP N N 84 118.020 122.638 -4.618 1
1 1054 . 2 1 1 A 85 85 LYS H H 85 8.134 8.182 -0.048 1
1 1055 . 2 1 1 A 85 85 LYS HA H 85 3.820 4.635 -0.815 1
1 1064 . 2 1 1 A 85 85 LYS C C 85 178.824 176.017 2.807 1
1 1065 . 2 1 1 A 85 85 LYS CA C 85 59.103 53.712 5.391 1
1 1066 . 2 1 1 A 85 85 LYS CB C 85 32.229 39.986 -7.757 1
1 1070 . 2 1 1 A 85 85 LYS N N 85 123.380 113.970 9.410 1
1 1071 . 2 1 1 A 86 86 CYS H H 86 8.083 7.395 0.688 1
1 1072 . 2 1 1 A 86 86 CYS HA H 86 4.439 4.463 -0.024 1
1 1075 . 2 1 1 A 86 86 CYS C C 86 174.621 176.617 -1.996 1
1 1076 . 2 1 1 A 86 86 CYS CA C 86 61.800 51.505 10.295 1
1 1077 . 2 1 1 A 86 86 CYS CB C 86 28.700 19.861 8.839 1
1 1078 . 2 1 1 A 86 86 CYS N N 86 113.734 123.390 -9.656 1
1 1079 . 2 1 1 A 87 87 GLY H H 87 7.904 8.877 -0.973 1
1 1082 . 2 1 1 A 87 87 GLY C C 87 174.471 174.285 0.186 1
1 1083 . 2 1 1 A 87 87 GLY CA C 87 45.434 53.526 -8.092 1
1 1084 . 2 1 1 A 87 87 GLY N N 87 107.243 122.723 -15.480 1
1 1085 . 2 1 1 A 88 88 VAL H H 88 7.635 8.970 -1.335 1
1 1086 . 2 1 1 A 88 88 VAL HA H 88 3.165 5.207 -2.042 1
1 1094 . 2 1 1 A 88 88 VAL C C 88 173.926 174.077 -0.151 1
1 1095 . 2 1 1 A 88 88 VAL CA C 88 63.281 53.285 9.996 1
1 1096 . 2 1 1 A 88 88 VAL CB C 88 31.892 45.329 -13.437 1
1 1099 . 2 1 1 A 88 88 VAL N N 88 122.351 128.607 -6.256 1
1 1100 . 2 1 1 A 89 89 GLN H H 89 7.651 9.442 -1.791 1
1 1101 . 2 1 1 A 89 89 GLN HA H 89 3.946 5.593 -1.647 1
1 1108 . 2 1 1 A 89 89 GLN C C 89 175.629 174.826 0.803 1
1 1109 . 2 1 1 A 89 89 GLN CA C 89 53.861 52.930 0.931 1
1 1110 . 2 1 1 A 89 89 GLN CB C 89 31.010 45.582 -14.572 1
1 1112 . 2 1 1 A 89 89 GLN N N 89 125.820 128.868 -3.048 1
1 1114 . 2 1 1 A 90 90 ALA H H 90 7.025 9.544 -2.519 1
1 1115 . 2 1 1 A 90 90 ALA HA H 90 3.873 5.644 -1.771 1
1 1119 . 2 1 1 A 90 90 ALA C C 90 177.042 173.991 3.051 1
1 1120 . 2 1 1 A 90 90 ALA CA C 90 54.869 55.245 -0.376 1
1 1121 . 2 1 1 A 90 90 ALA CB C 90 18.818 41.806 -22.988 1
1 1122 . 2 1 1 A 90 90 ALA N N 90 118.713 127.495 -8.782 1
1 1123 . 2 1 1 A 91 91 ASP H H 91 8.310 8.631 -0.321 1
1 1124 . 2 1 1 A 91 91 ASP HA H 91 4.415 4.729 -0.314 1
1 1127 . 2 1 1 A 91 91 ASP C C 91 176.371 171.106 5.265 1
1 1128 . 2 1 1 A 91 91 ASP CA C 91 53.133 57.982 -4.849 1
1 1129 . 2 1 1 A 91 91 ASP CB C 91 39.673 72.591 -32.918 1
1 1130 . 2 1 1 A 91 91 ASP N N 91 113.050 121.576 -8.526 1
1 1132 . 2 1 1 A 92 92 ALA HA H 92 4.237 3.997 0.240 1
1 1136 . 2 1 1 A 92 92 ALA C C 92 176.536 177.006 -0.470 1
1 1137 . 2 1 1 A 92 92 ALA CA C 92 53.721 62.596 -8.875 1
1 1138 . 2 1 1 A 92 92 ALA CB C 92 19.774 32.007 -12.233 1
1 1139 . 2 1 1 A 92 92 ALA N N 92 124.114 139.203 -15.089 1
1 1140 . 2 1 1 A 93 93 ASN H H 93 9.478 7.897 1.581 1
1 1141 . 2 1 1 A 93 93 ASN HA H 93 5.141 2.948 2.193 1
1 1146 . 2 1 1 A 93 93 ASN C C 93 173.906 175.720 -1.814 1
1 1147 . 2 1 1 A 93 93 ASN CA C 93 52.433 57.337 -4.904 1
1 1148 . 2 1 1 A 93 93 ASN CB C 93 38.547 27.901 10.646 1
1 1149 . 2 1 1 A 93 93 ASN N N 93 123.235 120.992 2.243 1
1 1151 . 2 1 1 A 94 94 LEU H H 94 8.675 8.511 0.164 1
1 1152 . 2 1 1 A 94 94 LEU HA H 94 5.429 4.678 0.751 1
1 1162 . 2 1 1 A 94 94 LEU C C 94 175.486 174.430 1.056 1
1 1163 . 2 1 1 A 94 94 LEU CA C 94 53.003 55.534 -2.531 1
1 1164 . 2 1 1 A 94 94 LEU CB C 94 44.739 31.046 13.693 1
1 1168 . 2 1 1 A 94 94 LEU N N 94 122.901 116.170 6.731 1
1 1169 . 2 1 1 A 95 95 LEU H H 95 9.412 7.132 2.280 1
1 1170 . 2 1 1 A 95 95 LEU HA H 95 5.388 4.471 0.917 1
1 1180 . 2 1 1 A 95 95 LEU C C 95 174.403 175.513 -1.110 1
1 1181 . 2 1 1 A 95 95 LEU CA C 95 53.155 56.215 -3.060 1
1 1182 . 2 1 1 A 95 95 LEU CB C 95 46.432 31.726 14.706 1
1 1186 . 2 1 1 A 95 95 LEU N N 95 126.034 120.685 5.349 1
1 3 . 3 1 1 A 1 1 GLY C C 1 173.950 174.449 -0.499 1
1 4 . 3 1 1 A 1 1 GLY CA C 1 45.289 53.950 -8.661 1
1 5 . 3 1 1 A 2 2 ILE H H 2 8.026 8.646 -0.620 1
1 6 . 3 1 1 A 2 2 ILE HA H 2 4.518 4.694 -0.176 1
1 16 . 3 1 1 A 2 2 ILE CA C 2 54.315 54.664 -0.349 1
1 17 . 3 1 1 A 2 2 ILE CB C 2 41.381 40.289 1.092 1
1 21 . 3 1 1 A 2 2 ILE N N 2 120.237 123.102 -2.865 1
1 22 . 3 1 1 A 3 3 ASP H H 3 8.212 8.521 -0.309 1
1 25 . 3 1 1 A 3 3 ASP CB C 3 41.116 64.706 -23.590 1
1 26 . 3 1 1 A 3 3 ASP N N 3 126.816 122.394 4.422 1
1 27 . 3 1 1 A 4 4 PRO HA H 4 3.818 4.510 -0.692 1
1 28 . 3 1 1 A 4 4 PRO C C 4 176.930 175.074 1.856 1
1 29 . 3 1 1 A 4 4 PRO CA C 4 63.589 58.566 5.023 1
1 30 . 3 1 1 A 5 5 PHE H H 5 8.214 8.095 0.119 1
1 33 . 3 1 1 A 5 5 PHE C C 5 176.204 173.684 2.520 1
1 34 . 3 1 1 A 5 5 PHE CA C 5 58.089 47.161 10.928 1
1 36 . 3 1 1 A 5 5 PHE N N 5 118.317 109.957 8.360 1
1 37 . 3 1 1 A 6 6 THR H H 6 7.789 7.809 -0.020 1
1 38 . 3 1 1 A 6 6 THR HA H 6 4.268 4.839 -0.571 1
1 43 . 3 1 1 A 6 6 THR C C 6 174.096 176.404 -2.308 1
1 44 . 3 1 1 A 6 6 THR CA C 6 62.228 53.612 8.616 1
1 45 . 3 1 1 A 6 6 THR CB C 6 69.842 41.388 28.454 1
1 47 . 3 1 1 A 6 6 THR N N 6 114.242 124.451 -10.209 1
1 48 . 3 1 1 A 7 7 MET H H 7 8.077 8.604 -0.527 1
1 49 . 3 1 1 A 7 7 MET HA H 7 4.721 4.602 0.119 1
1 50 . 3 1 1 A 7 7 MET CA C 7 55.836 54.566 1.270 1
1 51 . 3 1 1 A 7 7 MET N N 7 121.684 127.873 -6.189 1
1 52 . 3 1 1 A 8 8 LEU H H 8 8.043 7.991 0.052 1
1 53 . 3 1 1 A 8 8 LEU HA H 8 4.322 4.181 0.141 1
1 60 . 3 1 1 A 8 8 LEU CA C 8 55.142 64.588 -9.446 1
1 63 . 3 1 1 A 8 8 LEU N N 8 122.622 115.310 7.312 1
1 64 . 3 1 1 A 9 9 SER H H 9 8.263 8.056 0.207 1
1 65 . 3 1 1 A 9 9 SER HA H 9 4.318 4.607 -0.289 1
1 68 . 3 1 1 A 9 9 SER CA C 9 58.256 58.735 -0.479 1
1 69 . 3 1 1 A 9 9 SER CB C 9 63.851 64.322 -0.471 1
1 70 . 3 1 1 A 9 9 SER N N 9 116.455 112.387 4.068 1
1 71 . 3 1 1 A 10 10 SER H H 10 8.268 7.700 0.568 1
1 72 . 3 1 1 A 10 10 SER HA H 10 4.418 4.562 -0.144 1
1 75 . 3 1 1 A 10 10 SER C C 10 175.142 176.673 -1.531 1
1 76 . 3 1 1 A 10 10 SER CA C 10 58.684 51.551 7.133 1
1 77 . 3 1 1 A 10 10 SER CB C 10 63.935 19.541 44.394 1
1 78 . 3 1 1 A 10 10 SER N N 10 117.758 122.767 -5.009 1
1 79 . 3 1 1 A 11 11 GLY H H 11 8.300 7.850 0.450 1
1 82 . 3 1 1 A 11 11 GLY C C 11 176.844 174.108 2.736 1
1 83 . 3 1 1 A 11 11 GLY CA C 11 45.340 59.720 -14.380 1
1 84 . 3 1 1 A 11 11 GLY N N 11 110.621 115.556 -4.935 1
1 85 . 3 1 1 A 12 12 ASP H H 12 8.095 7.998 0.097 1
1 86 . 3 1 1 A 12 12 ASP HA H 12 4.520 5.258 -0.738 1
1 89 . 3 1 1 A 12 12 ASP C C 12 176.422 175.817 0.605 1
1 90 . 3 1 1 A 12 12 ASP CA C 12 54.331 55.404 -1.073 1
1 91 . 3 1 1 A 12 12 ASP CB C 12 41.101 30.910 10.191 1
1 92 . 3 1 1 A 12 12 ASP N N 12 120.276 125.896 -5.620 1
1 93 . 3 1 1 A 13 13 LEU H H 13 8.259 8.552 -0.293 1
1 94 . 3 1 1 A 13 13 LEU HA H 13 4.326 4.704 -0.378 1
1 104 . 3 1 1 A 13 13 LEU C C 13 177.829 175.373 2.456 1
1 105 . 3 1 1 A 13 13 LEU CA C 13 55.426 56.163 -0.737 1
1 106 . 3 1 1 A 13 13 LEU CB C 13 42.043 29.901 12.142 1
1 110 . 3 1 1 A 13 13 LEU N N 13 122.645 120.472 2.173 1
1 111 . 3 1 1 A 14 14 THR H H 14 8.134 9.637 -1.503 1
1 112 . 3 1 1 A 14 14 THR HA H 14 4.265 5.025 -0.760 1
1 117 . 3 1 1 A 14 14 THR C C 14 174.821 175.145 -0.324 1
1 118 . 3 1 1 A 14 14 THR CA C 14 62.228 53.951 8.277 1
1 119 . 3 1 1 A 14 14 THR CB C 14 69.762 43.389 26.373 1
1 121 . 3 1 1 A 14 14 THR N N 14 114.338 127.376 -13.038 1
1 122 . 3 1 1 A 15 15 SER H H 15 8.181 8.842 -0.661 1
1 123 . 3 1 1 A 15 15 SER HA H 15 4.429 5.055 -0.626 1
1 126 . 3 1 1 A 15 15 SER C C 15 174.213 174.203 0.010 1
1 127 . 3 1 1 A 15 15 SER CA C 15 58.321 61.297 -2.976 1
1 128 . 3 1 1 A 15 15 SER CB C 15 63.826 32.586 31.240 1
1 129 . 3 1 1 A 15 15 SER N N 15 117.846 127.363 -9.517 1
1 130 . 3 1 1 A 16 16 ALA H H 16 8.284 9.591 -1.307 1
1 131 . 3 1 1 A 16 16 ALA HA H 16 4.395 4.635 -0.240 1
1 135 . 3 1 1 A 16 16 ALA C C 16 177.160 174.834 2.326 1
1 136 . 3 1 1 A 16 16 ALA CA C 16 52.623 60.980 -8.357 1
1 137 . 3 1 1 A 16 16 ALA CB C 16 19.390 34.554 -15.164 1
1 138 . 3 1 1 A 16 16 ALA N N 16 126.207 130.140 -3.933 1
1 139 . 3 1 1 A 17 17 SER H H 17 8.035 8.771 -0.736 1
1 140 . 3 1 1 A 17 17 SER HA H 17 4.891 5.298 -0.407 1
1 143 . 3 1 1 A 17 17 SER C C 17 173.472 175.288 -1.816 1
1 144 . 3 1 1 A 17 17 SER CA C 17 57.547 55.695 1.852 1
1 145 . 3 1 1 A 17 17 SER CB C 17 65.420 31.292 34.128 1
1 146 . 3 1 1 A 17 17 SER N N 17 114.521 127.564 -13.043 1
1 147 . 3 1 1 A 18 18 TRP H H 18 8.523 9.350 -0.827 1
1 148 . 3 1 1 A 18 18 TRP HA H 18 4.787 4.975 -0.188 1
1 157 . 3 1 1 A 18 18 TRP C C 18 173.910 174.392 -0.482 1
1 158 . 3 1 1 A 18 18 TRP CA C 18 55.331 62.179 -6.848 1
1 159 . 3 1 1 A 18 18 TRP CB C 18 30.044 32.185 -2.141 1
1 165 . 3 1 1 A 18 18 TRP N N 18 120.348 125.384 -5.036 1
1 167 . 3 1 1 A 19 19 GLU H H 19 8.542 9.219 -0.677 1
1 168 . 3 1 1 A 19 19 GLU HA H 19 4.957 5.109 -0.152 1
1 173 . 3 1 1 A 19 19 GLU C C 19 175.089 174.911 0.178 1
1 174 . 3 1 1 A 19 19 GLU CA C 19 55.735 52.553 3.182 1
1 175 . 3 1 1 A 19 19 GLU CB C 19 31.683 41.583 -9.900 1
1 177 . 3 1 1 A 19 19 GLU N N 19 117.964 128.678 -10.714 1
1 178 . 3 1 1 A 20 20 LEU H H 20 8.813 9.581 -0.768 1
1 179 . 3 1 1 A 20 20 LEU HA H 20 4.794 4.863 -0.069 1
1 189 . 3 1 1 A 20 20 LEU C C 20 174.656 175.235 -0.579 1
1 190 . 3 1 1 A 20 20 LEU CA C 20 53.195 56.913 -3.718 1
1 191 . 3 1 1 A 20 20 LEU CB C 20 46.182 30.313 15.869 1
1 195 . 3 1 1 A 20 20 LEU N N 20 125.925 125.535 0.390 1
1 196 . 3 1 1 A 21 21 VAL H H 21 8.827 8.652 0.175 1
1 197 . 3 1 1 A 21 21 VAL HA H 21 4.499 4.488 0.011 1
1 205 . 3 1 1 A 21 21 VAL C C 21 176.157 177.346 -1.189 1
1 206 . 3 1 1 A 21 21 VAL CA C 21 62.260 50.886 11.374 1
1 207 . 3 1 1 A 21 21 VAL CB C 21 31.627 20.839 10.788 1
1 210 . 3 1 1 A 21 21 VAL N N 21 127.297 124.284 3.013 1
1 211 . 3 1 1 A 22 22 VAL H H 22 9.178 9.082 0.096 1
1 212 . 3 1 1 A 22 22 VAL HA H 22 4.348 4.307 0.041 1
1 220 . 3 1 1 A 22 22 VAL C C 22 175.253 174.041 1.212 1
1 221 . 3 1 1 A 22 22 VAL CA C 22 60.925 54.250 6.675 1
1 222 . 3 1 1 A 22 22 VAL CB C 22 34.352 37.889 -3.537 1
1 225 . 3 1 1 A 22 22 VAL N N 22 129.937 118.273 11.664 1
1 226 . 3 1 1 A 23 23 ARG H H 23 8.104 7.571 0.533 1
1 235 . 3 1 1 A 23 23 ARG C C 23 174.950 171.565 3.385 1
1 236 . 3 1 1 A 23 23 ARG CA C 23 55.516 45.548 9.968 1
1 240 . 3 1 1 A 23 23 ARG N N 23 125.848 106.408 19.440 1
1 242 . 3 1 1 A 24 24 VAL H H 24 9.325 8.468 0.857 1
1 243 . 3 1 1 A 24 24 VAL HA H 24 5.011 5.009 0.002 1
1 251 . 3 1 1 A 24 24 VAL C C 24 175.449 175.812 -0.363 1
1 252 . 3 1 1 A 24 24 VAL CA C 24 61.634 55.460 6.174 1
1 253 . 3 1 1 A 24 24 VAL CB C 24 33.928 31.433 2.495 1
1 256 . 3 1 1 A 24 24 VAL N N 24 124.136 120.431 3.705 1
1 257 . 3 1 1 A 25 25 ASP H H 25 8.414 8.621 -0.207 1
1 258 . 3 1 1 A 25 25 ASP HA H 25 5.220 4.640 0.580 1
1 261 . 3 1 1 A 25 25 ASP C C 25 176.671 173.790 2.881 1
1 262 . 3 1 1 A 25 25 ASP CA C 25 52.956 55.994 -3.038 1
1 263 . 3 1 1 A 25 25 ASP CB C 25 43.473 31.673 11.800 1
1 264 . 3 1 1 A 25 25 ASP N N 25 126.172 123.833 2.339 1
1 265 . 3 1 1 A 26 26 HIS H H 26 9.152 8.955 0.197 1
1 266 . 3 1 1 A 26 26 HIS HA H 26 4.542 5.810 -1.268 1
1 271 . 3 1 1 A 26 26 HIS C C 26 174.917 174.709 0.208 1
1 272 . 3 1 1 A 26 26 HIS CA C 26 56.700 54.533 2.167 1
1 273 . 3 1 1 A 26 26 HIS CB C 26 30.185 31.003 -0.818 1
1 276 . 3 1 1 A 26 26 HIS N N 26 124.402 125.796 -1.394 1
1 277 . 3 1 1 A 27 27 ALA H H 27 9.121 9.529 -0.408 1
1 278 . 3 1 1 A 27 27 ALA HA H 27 3.984 4.944 -0.960 1
1 282 . 3 1 1 A 27 27 ALA C C 27 176.927 173.811 3.116 1
1 283 . 3 1 1 A 27 27 ALA CA C 27 53.240 61.786 -8.546 1
1 284 . 3 1 1 A 27 27 ALA CB C 27 17.122 70.648 -53.526 1
1 285 . 3 1 1 A 27 27 ALA N N 27 121.895 118.974 2.921 1
1 286 . 3 1 1 A 28 28 ASN H H 28 8.140 8.980 -0.840 1
1 287 . 3 1 1 A 28 28 ASN HA H 28 4.628 4.756 -0.128 1
1 292 . 3 1 1 A 28 28 ASN C C 28 176.389 175.184 1.205 1
1 293 . 3 1 1 A 28 28 ASN CA C 28 52.466 55.947 -3.481 1
1 294 . 3 1 1 A 28 28 ASN CB C 28 38.624 30.539 8.085 1
1 295 . 3 1 1 A 28 28 ASN N N 28 114.287 125.293 -11.006 1
1 297 . 3 1 1 A 29 29 GLY H H 29 8.254 9.413 -1.159 1
1 300 . 3 1 1 A 29 29 GLY C C 29 174.848 175.394 -0.546 1
1 301 . 3 1 1 A 29 29 GLY CA C 29 45.354 59.939 -14.585 1
1 302 . 3 1 1 A 29 29 GLY N N 29 108.650 126.046 -17.396 1
1 303 . 3 1 1 A 30 30 GLU H H 30 7.860 9.080 -1.220 1
1 304 . 3 1 1 A 30 30 GLU HA H 30 4.267 5.004 -0.737 1
1 309 . 3 1 1 A 30 30 GLU C C 30 176.802 173.518 3.284 1
1 310 . 3 1 1 A 30 30 GLU CA C 30 56.348 62.229 -5.881 1
1 311 . 3 1 1 A 30 30 GLU CB C 30 30.460 69.848 -39.388 1
1 313 . 3 1 1 A 30 30 GLU N N 30 119.375 124.080 -4.705 1
1 314 . 3 1 1 A 31 31 GLN H H 31 8.280 9.378 -1.098 1
1 315 . 3 1 1 A 31 31 GLN HA H 31 4.222 5.025 -0.803 1
1 322 . 3 1 1 A 31 31 GLN C C 31 175.995 175.363 0.632 1
1 323 . 3 1 1 A 31 31 GLN CA C 31 55.917 52.874 3.043 1
1 324 . 3 1 1 A 31 31 GLN CB C 31 30.002 44.032 -14.030 1
1 326 . 3 1 1 A 31 31 GLN N N 31 120.036 127.316 -7.280 1
1 328 . 3 1 1 A 32 32 GLN H H 32 7.520 8.837 -1.317 1
1 329 . 3 1 1 A 32 32 GLN HA H 32 4.905 4.724 0.181 1
1 336 . 3 1 1 A 32 32 GLN C C 32 176.112 175.863 0.249 1
1 337 . 3 1 1 A 32 32 GLN CA C 32 56.211 55.475 0.736 1
1 338 . 3 1 1 A 32 32 GLN CB C 32 30.863 31.149 -0.286 1
1 340 . 3 1 1 A 32 32 GLN N N 32 123.146 125.203 -2.057 1
1 342 . 3 1 1 A 33 33 THR H H 33 8.533 8.734 -0.201 1
1 343 . 3 1 1 A 33 33 THR HA H 33 4.621 4.857 -0.236 1
1 348 . 3 1 1 A 33 33 THR C C 33 173.112 173.298 -0.186 1
1 349 . 3 1 1 A 33 33 THR CA C 33 61.506 58.632 2.874 1
1 350 . 3 1 1 A 33 33 THR CB C 33 71.605 35.450 36.155 1
1 352 . 3 1 1 A 33 33 THR N N 33 118.233 120.530 -2.297 1
1 353 . 3 1 1 A 34 34 GLU H H 34 8.711 8.416 0.295 1
1 354 . 3 1 1 A 34 34 GLU HA H 34 4.939 4.325 0.614 1
1 359 . 3 1 1 A 34 34 GLU C C 34 175.108 175.545 -0.437 1
1 360 . 3 1 1 A 34 34 GLU CA C 34 55.553 55.408 0.145 1
1 361 . 3 1 1 A 34 34 GLU CB C 34 31.950 65.865 -33.915 1
1 363 . 3 1 1 A 34 34 GLU N N 34 124.692 116.072 8.620 1
1 364 . 3 1 1 A 35 35 ILE H H 35 9.115 9.020 0.095 1
1 375 . 3 1 1 A 35 35 ILE C C 35 174.282 174.604 -0.322 1
1 376 . 3 1 1 A 35 35 ILE CA C 35 59.057 46.912 12.145 1
1 381 . 3 1 1 A 35 35 ILE N N 35 127.113 112.711 14.402 1
1 382 . 3 1 1 A 36 36 THR H H 36 8.545 7.883 0.662 1
1 383 . 3 1 1 A 36 36 THR HA H 36 4.772 4.686 0.086 1
1 388 . 3 1 1 A 36 36 THR C C 36 174.054 176.010 -1.956 1
1 389 . 3 1 1 A 36 36 THR CA C 36 62.257 54.891 7.366 1
1 390 . 3 1 1 A 36 36 THR CB C 36 68.948 41.267 27.681 1
1 392 . 3 1 1 A 36 36 THR N N 36 123.057 118.700 4.357 1
1 393 . 3 1 1 A 37 37 LEU H H 37 9.161 7.252 1.909 1
1 394 . 3 1 1 A 37 37 LEU HA H 37 4.503 4.304 0.199 1
1 404 . 3 1 1 A 37 37 LEU C C 37 175.047 175.844 -0.797 1
1 405 . 3 1 1 A 37 37 LEU CA C 37 52.646 55.234 -2.588 1
1 406 . 3 1 1 A 37 37 LEU CB C 37 45.951 43.183 2.768 1
1 410 . 3 1 1 A 37 37 LEU N N 37 128.195 122.681 5.514 1
1 411 . 3 1 1 A 38 38 ARG H H 38 8.258 8.835 -0.577 1
1 412 . 3 1 1 A 38 38 ARG HA H 38 4.556 5.195 -0.639 1
1 420 . 3 1 1 A 38 38 ARG C C 38 175.726 176.657 -0.931 1
1 421 . 3 1 1 A 38 38 ARG CA C 38 55.701 54.642 1.059 1
1 422 . 3 1 1 A 38 38 ARG CB C 38 29.601 32.132 -2.531 1
1 425 . 3 1 1 A 38 38 ARG N N 38 122.992 120.582 2.410 1
1 427 . 3 1 1 A 39 39 VAL H H 39 8.635 9.193 -0.558 1
1 428 . 3 1 1 A 39 39 VAL HA H 39 4.358 3.535 0.823 1
1 436 . 3 1 1 A 39 39 VAL C C 39 172.241 178.414 -6.173 1
1 437 . 3 1 1 A 39 39 VAL CA C 39 58.334 65.170 -6.836 1
1 438 . 3 1 1 A 39 39 VAL CB C 39 35.214 37.998 -2.784 1
1 441 . 3 1 1 A 39 39 VAL N N 39 118.388 120.504 -2.116 1
1 442 . 3 1 1 A 40 40 SER H H 40 6.388 8.139 -1.751 1
1 446 . 3 1 1 A 40 40 SER C C 40 175.046 176.767 -1.721 1
1 447 . 3 1 1 A 40 40 SER CA C 40 56.216 47.268 8.948 1
1 449 . 3 1 1 A 40 40 SER N N 40 108.799 108.392 0.407 1
1 450 . 3 1 1 A 41 41 GLY H H 41 9.085 7.562 1.523 1
1 451 . 3 1 1 A 41 41 GLY HA2 H 41 3.850 3.290 0.560 1
1 452 . 3 1 1 A 41 41 GLY HA3 H 41 4.321 3.576 0.745 1
1 453 . 3 1 1 A 41 41 GLY C C 41 173.137 175.931 -2.794 1
1 454 . 3 1 1 A 41 41 GLY CA C 41 47.346 46.622 0.724 1
1 455 . 3 1 1 A 41 41 GLY N N 41 107.767 109.505 -1.738 1
1 456 . 3 1 1 A 42 42 ASP H H 42 7.994 7.578 0.416 1
1 457 . 3 1 1 A 42 42 ASP HA H 42 4.498 3.583 0.915 1
1 460 . 3 1 1 A 42 42 ASP C C 42 175.609 177.715 -2.106 1
1 461 . 3 1 1 A 42 42 ASP CA C 42 53.241 65.663 -12.422 1
1 462 . 3 1 1 A 42 42 ASP CB C 42 40.331 31.657 8.674 1
1 463 . 3 1 1 A 42 42 ASP N N 42 112.956 121.735 -8.779 1
1 464 . 3 1 1 A 43 43 LEU H H 43 7.431 8.087 -0.656 1
1 465 . 3 1 1 A 43 43 LEU HA H 43 4.210 3.635 0.575 1
1 475 . 3 1 1 A 43 43 LEU C C 43 175.552 178.193 -2.641 1
1 476 . 3 1 1 A 43 43 LEU CA C 43 55.199 58.756 -3.557 1
1 477 . 3 1 1 A 43 43 LEU CB C 43 42.398 32.722 9.676 1
1 481 . 3 1 1 A 43 43 LEU N N 43 123.293 117.499 5.794 1
1 482 . 3 1 1 A 44 44 HIS H H 44 8.405 7.654 0.751 1
1 483 . 3 1 1 A 44 44 HIS HA H 44 5.154 4.035 1.119 1
1 488 . 3 1 1 A 44 44 HIS C C 44 177.511 178.737 -1.226 1
1 489 . 3 1 1 A 44 44 HIS CA C 44 54.692 57.650 -2.958 1
1 490 . 3 1 1 A 44 44 HIS CB C 44 30.868 41.508 -10.640 1
1 493 . 3 1 1 A 44 44 HIS N N 44 121.975 120.935 1.040 1
1 494 . 3 1 1 A 45 45 ILE H H 45 8.628 7.692 0.936 1
1 495 . 3 1 1 A 45 45 ILE HA H 45 3.445 3.911 -0.466 1
1 505 . 3 1 1 A 45 45 ILE C C 45 179.116 178.894 0.222 1
1 506 . 3 1 1 A 45 45 ILE CA C 45 62.585 59.324 3.261 1
1 507 . 3 1 1 A 45 45 ILE CB C 45 35.492 31.518 3.974 1
1 511 . 3 1 1 A 45 45 ILE N N 45 124.304 118.963 5.341 1
1 512 . 3 1 1 A 46 46 GLY H H 46 9.792 7.613 2.179 1
1 515 . 3 1 1 A 46 46 GLY C C 46 175.742 178.849 -3.107 1
1 516 . 3 1 1 A 46 46 GLY CA C 46 46.812 57.953 -11.141 1
1 517 . 3 1 1 A 46 46 GLY N N 46 106.610 120.302 -13.692 1
1 518 . 3 1 1 A 47 47 GLY H H 47 6.761 7.349 -0.588 1
1 521 . 3 1 1 A 47 47 GLY C C 47 176.182 177.939 -1.757 1
1 522 . 3 1 1 A 47 47 GLY CA C 47 46.819 66.470 -19.651 1
1 523 . 3 1 1 A 47 47 GLY N N 47 109.580 117.324 -7.744 1
1 524 . 3 1 1 A 48 48 VAL H H 48 7.669 8.087 -0.418 1
1 525 . 3 1 1 A 48 48 VAL HA H 48 3.083 3.867 -0.784 1
1 533 . 3 1 1 A 48 48 VAL C C 48 176.849 178.858 -2.009 1
1 534 . 3 1 1 A 48 48 VAL CA C 48 66.775 59.665 7.110 1
1 535 . 3 1 1 A 48 48 VAL CB C 48 30.944 29.001 1.943 1
1 538 . 3 1 1 A 48 48 VAL N N 48 123.461 119.885 3.576 1
1 539 . 3 1 1 A 49 49 MET H H 49 7.632 7.952 -0.320 1
1 540 . 3 1 1 A 49 49 MET HA H 49 3.143 3.999 -0.856 1
1 548 . 3 1 1 A 49 49 MET C C 49 176.774 178.928 -2.154 1
1 549 . 3 1 1 A 49 49 MET CA C 49 59.972 58.990 0.982 1
1 550 . 3 1 1 A 49 49 MET CB C 49 33.142 28.496 4.646 1
1 553 . 3 1 1 A 49 49 MET N N 49 115.691 118.217 -2.526 1
1 554 . 3 1 1 A 50 50 LEU H H 50 7.535 7.666 -0.131 1
1 555 . 3 1 1 A 50 50 LEU HA H 50 3.821 4.402 -0.581 1
1 565 . 3 1 1 A 50 50 LEU C C 50 179.001 176.273 2.728 1
1 566 . 3 1 1 A 50 50 LEU CA C 50 57.910 59.130 -1.220 1
1 567 . 3 1 1 A 50 50 LEU CB C 50 41.821 32.409 9.412 1
1 571 . 3 1 1 A 50 50 LEU N N 50 117.445 117.626 -0.181 1
1 572 . 3 1 1 A 51 51 LYS H H 51 7.447 8.283 -0.836 1
1 573 . 3 1 1 A 51 51 LYS HA H 51 3.880 4.406 -0.526 1
1 582 . 3 1 1 A 51 51 LYS C C 51 178.975 174.183 4.792 1
1 583 . 3 1 1 A 51 51 LYS CA C 51 59.003 53.979 5.024 1
1 584 . 3 1 1 A 51 51 LYS CB C 51 32.890 37.010 -4.120 1
1 588 . 3 1 1 A 51 51 LYS N N 51 118.306 117.113 1.193 1
1 589 . 3 1 1 A 52 52 LEU H H 52 7.547 7.850 -0.303 1
1 590 . 3 1 1 A 52 52 LEU HA H 52 3.523 4.561 -1.038 1
1 600 . 3 1 1 A 52 52 LEU C C 52 177.676 174.956 2.720 1
1 601 . 3 1 1 A 52 52 LEU CA C 52 58.038 60.867 -2.829 1
1 602 . 3 1 1 A 52 52 LEU CB C 52 41.660 39.951 1.709 1
1 606 . 3 1 1 A 52 52 LEU N N 52 119.198 119.164 0.034 1
1 607 . 3 1 1 A 53 53 VAL H H 53 7.368 8.805 -1.437 1
1 608 . 3 1 1 A 53 53 VAL HA H 53 2.469 4.548 -2.079 1
1 616 . 3 1 1 A 53 53 VAL C C 53 179.189 176.110 3.079 1
1 617 . 3 1 1 A 53 53 VAL CA C 53 66.706 52.092 14.614 1
1 618 . 3 1 1 A 53 53 VAL CB C 53 31.343 18.320 13.023 1
1 621 . 3 1 1 A 53 53 VAL N N 53 117.879 132.047 -14.168 1
1 622 . 3 1 1 A 54 54 GLU H H 54 7.966 8.469 -0.503 1
1 623 . 3 1 1 A 54 54 GLU HA H 54 3.865 4.748 -0.883 1
1 628 . 3 1 1 A 54 54 GLU C C 54 178.593 172.973 5.620 1
1 629 . 3 1 1 A 54 54 GLU CA C 54 58.935 54.525 4.410 1
1 630 . 3 1 1 A 54 54 GLU CB C 54 29.772 30.384 -0.612 1
1 632 . 3 1 1 A 54 54 GLU N N 54 119.295 120.659 -1.364 1
1 633 . 3 1 1 A 55 55 GLN H H 55 7.651 8.522 -0.871 1
1 634 . 3 1 1 A 55 55 GLN HA H 55 4.005 4.601 -0.596 1
1 641 . 3 1 1 A 55 55 GLN C C 55 177.512 175.796 1.716 1
1 642 . 3 1 1 A 55 55 GLN CA C 55 57.362 54.156 3.206 1
1 643 . 3 1 1 A 55 55 GLN CB C 55 28.938 40.764 -11.826 1
1 645 . 3 1 1 A 55 55 GLN N N 55 116.036 120.098 -4.062 1
1 647 . 3 1 1 A 56 56 MET H H 56 7.691 8.754 -1.063 1
1 648 . 3 1 1 A 56 56 MET HA H 56 4.316 5.006 -0.690 1
1 656 . 3 1 1 A 56 56 MET C C 56 176.572 176.792 -0.220 1
1 657 . 3 1 1 A 56 56 MET CA C 56 56.492 56.200 0.292 1
1 658 . 3 1 1 A 56 56 MET CB C 56 32.901 29.026 3.875 1
1 661 . 3 1 1 A 56 56 MET N N 56 117.664 126.866 -9.202 1
1 662 . 3 1 1 A 57 57 ASN H H 57 7.816 7.720 0.096 1
1 663 . 3 1 1 A 57 57 ASN HA H 57 4.495 4.375 0.120 1
1 668 . 3 1 1 A 57 57 ASN C C 57 174.613 174.798 -0.185 1
1 669 . 3 1 1 A 57 57 ASN CA C 57 53.813 61.836 -8.023 1
1 670 . 3 1 1 A 57 57 ASN CB C 57 37.713 63.257 -25.544 1
1 671 . 3 1 1 A 57 57 ASN N N 57 115.864 116.558 -0.694 1
1 673 . 3 1 1 A 58 58 ILE H H 58 8.391 7.797 0.594 1
1 674 . 3 1 1 A 58 58 ILE HA H 58 4.284 5.124 -0.840 1
1 684 . 3 1 1 A 58 58 ILE C C 58 175.277 174.721 0.556 1
1 685 . 3 1 1 A 58 58 ILE CA C 58 60.631 53.008 7.623 1
1 686 . 3 1 1 A 58 58 ILE CB C 58 41.470 42.005 -0.535 1
1 690 . 3 1 1 A 58 58 ILE N N 58 117.760 120.395 -2.635 1
1 691 . 3 1 1 A 59 59 ALA H H 59 8.438 8.702 -0.264 1
1 692 . 3 1 1 A 59 59 ALA HA H 59 4.535 5.274 -0.739 1
1 696 . 3 1 1 A 59 59 ALA C C 59 175.554 173.449 2.105 1
1 697 . 3 1 1 A 59 59 ALA CA C 59 51.604 56.439 -4.835 1
1 698 . 3 1 1 A 59 59 ALA CB C 59 17.256 41.473 -24.217 1
1 699 . 3 1 1 A 59 59 ALA N N 59 129.371 122.054 7.317 1
1 700 . 3 1 1 A 60 60 GLN H H 60 7.498 8.173 -0.675 1
1 701 . 3 1 1 A 60 60 GLN HA H 60 4.291 4.865 -0.574 1
1 708 . 3 1 1 A 60 60 GLN C C 60 172.908 175.970 -3.062 1
1 709 . 3 1 1 A 60 60 GLN CA C 60 53.492 51.321 2.171 1
1 710 . 3 1 1 A 60 60 GLN CB C 60 30.340 23.214 7.126 1
1 712 . 3 1 1 A 60 60 GLN N N 60 120.550 121.697 -1.147 1
1 714 . 3 1 1 A 61 61 ASP H H 61 8.086 8.794 -0.708 1
1 715 . 3 1 1 A 61 61 ASP HA H 61 4.622 5.260 -0.638 1
1 718 . 3 1 1 A 61 61 ASP C C 61 177.529 175.792 1.737 1
1 719 . 3 1 1 A 61 61 ASP CA C 61 53.520 54.150 -0.630 1
1 720 . 3 1 1 A 61 61 ASP CB C 61 40.493 43.108 -2.615 1
1 721 . 3 1 1 A 61 61 ASP N N 61 118.225 119.158 -0.933 1
1 722 . 3 1 1 A 62 62 TRP H H 62 8.999 9.675 -0.676 1
1 723 . 3 1 1 A 62 62 TRP HA H 62 4.578 5.097 -0.519 1
1 732 . 3 1 1 A 62 62 TRP C C 62 178.609 174.715 3.894 1
1 733 . 3 1 1 A 62 62 TRP CA C 62 57.200 54.823 2.377 1
1 734 . 3 1 1 A 62 62 TRP CB C 62 29.155 31.017 -1.862 1
1 740 . 3 1 1 A 62 62 TRP N N 62 129.134 126.675 2.459 1
1 742 . 3 1 1 A 63 63 SER H H 63 8.756 8.389 0.367 1
1 743 . 3 1 1 A 63 63 SER HA H 63 4.127 4.743 -0.616 1
1 746 . 3 1 1 A 63 63 SER C C 63 175.119 176.098 -0.979 1
1 747 . 3 1 1 A 63 63 SER CA C 63 62.933 55.751 7.182 1
1 748 . 3 1 1 A 63 63 SER CB C 63 63.120 29.503 33.617 1
1 749 . 3 1 1 A 63 63 SER N N 63 119.231 129.750 -10.519 1
1 750 . 3 1 1 A 64 64 ASP H H 64 9.095 8.892 0.203 1
1 751 . 3 1 1 A 64 64 ASP HA H 64 4.876 3.973 0.903 1
1 754 . 3 1 1 A 64 64 ASP C C 64 177.267 178.456 -1.189 1
1 755 . 3 1 1 A 64 64 ASP CA C 64 54.157 60.055 -5.898 1
1 756 . 3 1 1 A 64 64 ASP CB C 64 43.116 29.573 13.543 1
1 757 . 3 1 1 A 64 64 ASP N N 64 120.137 127.668 -7.531 1
1 758 . 3 1 1 A 65 65 TYR H H 65 7.991 8.052 -0.061 1
1 759 . 3 1 1 A 65 65 TYR HA H 65 4.151 4.043 0.108 1
1 766 . 3 1 1 A 65 65 TYR C C 65 175.746 177.296 -1.550 1
1 767 . 3 1 1 A 65 65 TYR CA C 65 59.053 58.194 0.859 1
1 768 . 3 1 1 A 65 65 TYR CB C 65 38.836 28.754 10.082 1
1 773 . 3 1 1 A 65 65 TYR N N 65 121.458 119.489 1.969 1
1 774 . 3 1 1 A 66 66 ALA H H 66 8.698 7.110 1.588 1
1 775 . 3 1 1 A 66 66 ALA HA H 66 4.794 4.045 0.749 1
1 779 . 3 1 1 A 66 66 ALA C C 66 175.126 175.265 -0.139 1
1 780 . 3 1 1 A 66 66 ALA CA C 66 51.166 55.258 -4.092 1
1 781 . 3 1 1 A 66 66 ALA CB C 66 23.771 33.296 -9.525 1
1 782 . 3 1 1 A 66 66 ALA N N 66 122.944 116.793 6.151 1
1 783 . 3 1 1 A 67 67 LEU H H 67 9.131 7.636 1.495 1
1 784 . 3 1 1 A 67 67 LEU HA H 67 5.498 3.078 2.420 1
1 794 . 3 1 1 A 67 67 LEU C C 67 174.489 174.521 -0.032 1
1 795 . 3 1 1 A 67 67 LEU CA C 67 53.987 56.285 -2.298 1
1 796 . 3 1 1 A 67 67 LEU CB C 67 44.080 28.138 15.942 1
1 800 . 3 1 1 A 67 67 LEU N N 67 118.646 116.437 2.209 1
1 801 . 3 1 1 A 68 68 TRP H H 68 9.934 6.439 3.495 1
1 802 . 3 1 1 A 68 68 TRP HA H 68 4.680 4.884 -0.204 1
1 811 . 3 1 1 A 68 68 TRP C C 68 174.148 172.448 1.700 1
1 812 . 3 1 1 A 68 68 TRP CA C 68 55.276 57.207 -1.931 1
1 813 . 3 1 1 A 68 68 TRP CB C 68 30.222 31.104 -0.882 1
1 819 . 3 1 1 A 68 68 TRP N N 68 126.978 114.286 12.692 1
1 821 . 3 1 1 A 69 69 TRP H H 69 8.507 8.791 -0.284 1
1 822 . 3 1 1 A 69 69 TRP HA H 69 5.060 5.512 -0.452 1
1 831 . 3 1 1 A 69 69 TRP C C 69 175.837 176.079 -0.242 1
1 832 . 3 1 1 A 69 69 TRP CA C 69 52.520 56.271 -3.751 1
1 833 . 3 1 1 A 69 69 TRP CB C 69 30.500 31.295 -0.795 1
1 839 . 3 1 1 A 69 69 TRP N N 69 129.756 123.145 6.611 1
1 841 . 3 1 1 A 70 70 GLU H H 70 8.917 9.547 -0.630 1
1 842 . 3 1 1 A 70 70 GLU HA H 70 3.817 4.404 -0.587 1
1 847 . 3 1 1 A 70 70 GLU C C 70 179.449 176.978 2.471 1
1 848 . 3 1 1 A 70 70 GLU CA C 70 60.208 54.712 5.496 1
1 849 . 3 1 1 A 70 70 GLU CB C 70 29.937 40.889 -10.952 1
1 851 . 3 1 1 A 70 70 GLU N N 70 126.517 126.519 -0.002 1
1 852 . 3 1 1 A 71 71 GLN H H 71 8.515 8.514 0.001 1
1 853 . 3 1 1 A 71 71 GLN HA H 71 3.782 4.720 -0.938 1
1 860 . 3 1 1 A 71 71 GLN C C 71 177.266 176.834 0.432 1
1 861 . 3 1 1 A 71 71 GLN CA C 71 61.006 54.150 6.856 1
1 862 . 3 1 1 A 71 71 GLN CB C 71 27.451 42.932 -15.481 1
1 864 . 3 1 1 A 71 71 GLN N N 71 114.822 125.774 -10.952 1
1 866 . 3 1 1 A 72 72 LYS H H 72 5.086 7.417 -2.331 1
1 867 . 3 1 1 A 72 72 LYS HA H 72 3.719 4.493 -0.774 1
1 876 . 3 1 1 A 72 72 LYS C C 72 174.268 177.482 -3.214 1
1 877 . 3 1 1 A 72 72 LYS CA C 72 53.864 54.710 -0.846 1
1 878 . 3 1 1 A 72 72 LYS CB C 72 33.242 29.700 3.542 1
1 882 . 3 1 1 A 72 72 LYS N N 72 112.499 120.156 -7.657 1
1 883 . 3 1 1 A 73 73 ARG H H 73 7.402 8.045 -0.643 1
1 884 . 3 1 1 A 73 73 ARG HA H 73 2.800 4.256 -1.456 1
1 892 . 3 1 1 A 73 73 ARG C C 73 173.935 176.515 -2.580 1
1 893 . 3 1 1 A 73 73 ARG CA C 73 56.187 64.736 -8.549 1
1 894 . 3 1 1 A 73 73 ARG CB C 73 26.602 68.929 -42.327 1
1 897 . 3 1 1 A 73 73 ARG N N 73 118.477 114.021 4.456 1
1 899 . 3 1 1 A 74 74 CYS H H 74 6.242 7.819 -1.577 1
1 900 . 3 1 1 A 74 74 CYS HA H 74 4.671 4.369 0.302 1
1 903 . 3 1 1 A 74 74 CYS C C 74 171.332 175.838 -4.506 1
1 904 . 3 1 1 A 74 74 CYS CA C 74 54.443 57.506 -3.063 1
1 905 . 3 1 1 A 74 74 CYS CB C 74 31.599 30.636 0.963 1
1 906 . 3 1 1 A 74 74 CYS N N 74 110.705 121.397 -10.692 1
1 907 . 3 1 1 A 75 75 TRP H H 75 8.567 7.866 0.701 1
1 908 . 3 1 1 A 75 75 TRP HA H 75 5.414 4.630 0.784 1
1 917 . 3 1 1 A 75 75 TRP C C 75 177.638 176.570 1.068 1
1 918 . 3 1 1 A 75 75 TRP CA C 75 55.720 57.203 -1.483 1
1 919 . 3 1 1 A 75 75 TRP CB C 75 30.966 30.513 0.453 1
1 925 . 3 1 1 A 75 75 TRP N N 75 120.876 119.156 1.720 1
1 927 . 3 1 1 A 76 76 LEU H H 76 9.181 8.792 0.389 1
1 928 . 3 1 1 A 76 76 LEU HA H 76 4.737 4.948 -0.211 1
1 938 . 3 1 1 A 76 76 LEU C C 76 175.745 176.394 -0.649 1
1 939 . 3 1 1 A 76 76 LEU CA C 76 53.729 60.631 -6.902 1
1 940 . 3 1 1 A 76 76 LEU CB C 76 40.810 71.312 -30.502 1
1 944 . 3 1 1 A 76 76 LEU N N 76 125.488 115.654 9.834 1
1 945 . 3 1 1 A 77 77 LEU H H 77 7.711 9.191 -1.480 1
1 946 . 3 1 1 A 77 77 LEU HA H 77 4.416 4.059 0.357 1
1 956 . 3 1 1 A 77 77 LEU C C 77 178.257 178.873 -0.616 1
1 957 . 3 1 1 A 77 77 LEU CA C 77 54.539 58.133 -3.594 1
1 958 . 3 1 1 A 77 77 LEU CB C 77 42.566 41.589 0.977 1
1 962 . 3 1 1 A 77 77 LEU N N 77 119.493 123.126 -3.633 1
1 963 . 3 1 1 A 78 78 LYS H H 78 8.173 8.431 -0.258 1
1 964 . 3 1 1 A 78 78 LYS HA H 78 4.380 4.413 -0.033 1
1 973 . 3 1 1 A 78 78 LYS C C 78 177.029 178.433 -1.404 1
1 974 . 3 1 1 A 78 78 LYS CA C 78 54.048 57.324 -3.276 1
1 975 . 3 1 1 A 78 78 LYS CB C 78 28.755 40.948 -12.193 1
1 979 . 3 1 1 A 78 78 LYS N N 78 121.730 119.808 1.922 1
1 980 . 3 1 1 A 79 79 THR H H 79 7.812 7.720 0.092 1
1 981 . 3 1 1 A 79 79 THR HA H 79 3.677 4.009 -0.332 1
1 986 . 3 1 1 A 79 79 THR C C 79 175.193 179.017 -3.824 1
1 987 . 3 1 1 A 79 79 THR CA C 79 64.890 59.292 5.598 1
1 988 . 3 1 1 A 79 79 THR CB C 79 68.447 32.091 36.356 1
1 990 . 3 1 1 A 79 79 THR N N 79 114.142 118.662 -4.520 1
1 991 . 3 1 1 A 80 80 HIS H H 80 8.929 7.951 0.978 1
1 992 . 3 1 1 A 80 80 HIS HA H 80 4.759 4.819 -0.060 1
1 995 . 3 1 1 A 80 80 HIS C C 80 175.622 175.435 0.187 1
1 996 . 3 1 1 A 80 80 HIS CA C 80 56.078 60.355 -4.277 1
1 997 . 3 1 1 A 80 80 HIS CB C 80 29.927 28.102 1.825 1
1 998 . 3 1 1 A 80 80 HIS N N 80 117.372 115.969 1.403 1
1 999 . 3 1 1 A 81 81 TRP H H 81 8.544 8.419 0.125 1
1 1009 . 3 1 1 A 81 81 TRP C C 81 175.952 174.165 1.787 1
1 1010 . 3 1 1 A 81 81 TRP CA C 81 56.009 45.477 10.532 1
1 1017 . 3 1 1 A 81 81 TRP N N 81 122.512 108.575 13.937 1
1 1019 . 3 1 1 A 82 82 THR H H 82 7.587 7.359 0.228 1
1 1020 . 3 1 1 A 82 82 THR HA H 82 4.725 4.253 0.472 1
1 1025 . 3 1 1 A 82 82 THR C C 82 176.305 174.101 2.204 1
1 1026 . 3 1 1 A 82 82 THR CA C 82 60.250 60.532 -0.282 1
1 1027 . 3 1 1 A 82 82 THR CB C 82 70.601 32.508 38.093 1
1 1029 . 3 1 1 A 82 82 THR N N 82 109.728 121.450 -11.722 1
1 1030 . 3 1 1 A 83 83 LEU H H 83 8.354 8.536 -0.182 1
1 1031 . 3 1 1 A 83 83 LEU HA H 83 3.798 3.683 0.115 1
1 1040 . 3 1 1 A 83 83 LEU C C 83 179.461 176.111 3.350 1
1 1041 . 3 1 1 A 83 83 LEU CA C 83 59.442 53.506 5.936 1
1 1042 . 3 1 1 A 83 83 LEU CB C 83 40.758 30.825 9.933 1
1 1045 . 3 1 1 A 83 83 LEU N N 83 122.120 127.292 -5.172 1
1 1046 . 3 1 1 A 84 84 ASP H H 84 8.985 7.736 1.249 1
1 1047 . 3 1 1 A 84 84 ASP HA H 84 4.427 4.065 0.362 1
1 1050 . 3 1 1 A 84 84 ASP C C 84 179.464 177.604 1.860 1
1 1051 . 3 1 1 A 84 84 ASP CA C 84 57.459 54.523 2.936 1
1 1052 . 3 1 1 A 84 84 ASP CB C 84 40.243 18.377 21.866 1
1 1053 . 3 1 1 A 84 84 ASP N N 84 118.020 122.082 -4.062 1
1 1054 . 3 1 1 A 85 85 LYS H H 85 8.134 7.867 0.267 1
1 1055 . 3 1 1 A 85 85 LYS HA H 85 3.820 4.678 -0.858 1
1 1064 . 3 1 1 A 85 85 LYS C C 85 178.824 175.479 3.345 1
1 1065 . 3 1 1 A 85 85 LYS CA C 85 59.103 54.270 4.833 1
1 1066 . 3 1 1 A 85 85 LYS CB C 85 32.229 41.412 -9.183 1
1 1070 . 3 1 1 A 85 85 LYS N N 85 123.380 115.762 7.618 1
1 1071 . 3 1 1 A 86 86 CYS H H 86 8.083 7.287 0.796 1
1 1072 . 3 1 1 A 86 86 CYS HA H 86 4.439 4.663 -0.224 1
1 1075 . 3 1 1 A 86 86 CYS C C 86 174.621 176.488 -1.867 1
1 1076 . 3 1 1 A 86 86 CYS CA C 86 61.800 50.518 11.282 1
1 1077 . 3 1 1 A 86 86 CYS CB C 86 28.700 20.197 8.503 1
1 1078 . 3 1 1 A 86 86 CYS N N 86 113.734 122.781 -9.047 1
1 1079 . 3 1 1 A 87 87 GLY H H 87 7.904 8.973 -1.069 1
1 1082 . 3 1 1 A 87 87 GLY C C 87 174.471 174.235 0.236 1
1 1083 . 3 1 1 A 87 87 GLY CA C 87 45.434 53.253 -7.819 1
1 1084 . 3 1 1 A 87 87 GLY N N 87 107.243 122.379 -15.136 1
1 1085 . 3 1 1 A 88 88 VAL H H 88 7.635 8.920 -1.285 1
1 1086 . 3 1 1 A 88 88 VAL HA H 88 3.165 5.221 -2.056 1
1 1094 . 3 1 1 A 88 88 VAL C C 88 173.926 174.014 -0.088 1
1 1095 . 3 1 1 A 88 88 VAL CA C 88 63.281 53.331 9.950 1
1 1096 . 3 1 1 A 88 88 VAL CB C 88 31.892 45.452 -13.560 1
1 1099 . 3 1 1 A 88 88 VAL N N 88 122.351 128.681 -6.330 1
1 1100 . 3 1 1 A 89 89 GLN H H 89 7.651 9.432 -1.781 1
1 1101 . 3 1 1 A 89 89 GLN HA H 89 3.946 5.607 -1.661 1
1 1108 . 3 1 1 A 89 89 GLN C C 89 175.629 175.034 0.595 1
1 1109 . 3 1 1 A 89 89 GLN CA C 89 53.861 52.927 0.934 1
1 1110 . 3 1 1 A 89 89 GLN CB C 89 31.010 46.240 -15.230 1
1 1112 . 3 1 1 A 89 89 GLN N N 89 125.820 128.898 -3.078 1
1 1114 . 3 1 1 A 90 90 ALA H H 90 7.025 9.554 -2.529 1
1 1115 . 3 1 1 A 90 90 ALA HA H 90 3.873 5.399 -1.526 1
1 1119 . 3 1 1 A 90 90 ALA C C 90 177.042 174.412 2.630 1
1 1120 . 3 1 1 A 90 90 ALA CA C 90 54.869 56.070 -1.201 1
1 1121 . 3 1 1 A 90 90 ALA CB C 90 18.818 41.116 -22.298 1
1 1122 . 3 1 1 A 90 90 ALA N N 90 118.713 128.428 -9.715 1
1 1123 . 3 1 1 A 91 91 ASP H H 91 8.310 8.631 -0.321 1
1 1124 . 3 1 1 A 91 91 ASP HA H 91 4.415 4.798 -0.383 1
1 1127 . 3 1 1 A 91 91 ASP C C 91 176.371 171.755 4.616 1
1 1128 . 3 1 1 A 91 91 ASP CA C 91 53.133 58.120 -4.987 1
1 1129 . 3 1 1 A 91 91 ASP CB C 91 39.673 72.709 -33.036 1
1 1130 . 3 1 1 A 91 91 ASP N N 91 113.050 121.068 -8.018 1
1 1132 . 3 1 1 A 92 92 ALA HA H 92 4.237 4.456 -0.219 1
1 1136 . 3 1 1 A 92 92 ALA C C 92 176.536 177.521 -0.985 1
1 1137 . 3 1 1 A 92 92 ALA CA C 92 53.721 63.359 -9.638 1
1 1138 . 3 1 1 A 92 92 ALA CB C 92 19.774 32.107 -12.333 1
1 1139 . 3 1 1 A 92 92 ALA N N 92 124.114 141.269 -17.155 1
1 1140 . 3 1 1 A 93 93 ASN H H 93 9.478 8.462 1.016 1
1 1141 . 3 1 1 A 93 93 ASN HA H 93 5.141 2.618 2.523 1
1 1146 . 3 1 1 A 93 93 ASN C C 93 173.906 175.970 -2.064 1
1 1147 . 3 1 1 A 93 93 ASN CA C 93 52.433 57.734 -5.301 1
1 1148 . 3 1 1 A 93 93 ASN CB C 93 38.547 27.265 11.282 1
1 1149 . 3 1 1 A 93 93 ASN N N 93 123.235 123.378 -0.143 1
1 1151 . 3 1 1 A 94 94 LEU H H 94 8.675 8.298 0.377 1
1 1152 . 3 1 1 A 94 94 LEU HA H 94 5.429 3.989 1.440 1
1 1162 . 3 1 1 A 94 94 LEU C C 94 175.486 174.209 1.277 1
1 1163 . 3 1 1 A 94 94 LEU CA C 94 53.003 56.933 -3.930 1
1 1164 . 3 1 1 A 94 94 LEU CB C 94 44.739 28.424 16.315 1
1 1168 . 3 1 1 A 94 94 LEU N N 94 122.901 118.395 4.506 1
1 1169 . 3 1 1 A 95 95 LEU H H 95 9.412 8.278 1.134 1
1 1170 . 3 1 1 A 95 95 LEU HA H 95 5.388 4.126 1.262 1
1 1180 . 3 1 1 A 95 95 LEU C C 95 174.403 176.096 -1.693 1
1 1181 . 3 1 1 A 95 95 LEU CA C 95 53.155 56.608 -3.453 1
1 1182 . 3 1 1 A 95 95 LEU CB C 95 46.432 31.418 15.014 1
1 1186 . 3 1 1 A 95 95 LEU N N 95 126.034 118.202 7.832 1
1 3 . 4 1 1 A 1 1 GLY C C 1 173.950 176.080 -2.130 1
1 4 . 4 1 1 A 1 1 GLY CA C 1 45.289 54.368 -9.079 1
1 5 . 4 1 1 A 2 2 ILE H H 2 8.026 8.719 -0.693 1
1 6 . 4 1 1 A 2 2 ILE HA H 2 4.518 4.421 0.097 1
1 16 . 4 1 1 A 2 2 ILE CA C 2 54.315 55.472 -1.157 1
1 17 . 4 1 1 A 2 2 ILE CB C 2 41.381 44.254 -2.873 1
1 21 . 4 1 1 A 2 2 ILE N N 2 120.237 128.711 -8.474 1
1 22 . 4 1 1 A 3 3 ASP H H 3 8.212 8.042 0.170 1
1 25 . 4 1 1 A 3 3 ASP CB C 3 41.116 64.001 -22.885 1
1 26 . 4 1 1 A 3 3 ASP N N 3 126.816 112.639 14.177 1
1 27 . 4 1 1 A 4 4 PRO HA H 4 3.818 4.454 -0.636 1
1 28 . 4 1 1 A 4 4 PRO C C 4 176.930 174.084 2.846 1
1 29 . 4 1 1 A 4 4 PRO CA C 4 63.589 59.493 4.096 1
1 30 . 4 1 1 A 5 5 PHE H H 5 8.214 7.624 0.590 1
1 33 . 4 1 1 A 5 5 PHE C C 5 176.204 173.260 2.944 1
1 34 . 4 1 1 A 5 5 PHE CA C 5 58.089 45.127 12.962 1
1 36 . 4 1 1 A 5 5 PHE N N 5 118.317 107.656 10.661 1
1 37 . 4 1 1 A 6 6 THR H H 6 7.789 8.895 -1.106 1
1 38 . 4 1 1 A 6 6 THR HA H 6 4.268 4.788 -0.520 1
1 43 . 4 1 1 A 6 6 THR C C 6 174.096 177.276 -3.180 1
1 44 . 4 1 1 A 6 6 THR CA C 6 62.228 55.525 6.703 1
1 45 . 4 1 1 A 6 6 THR CB C 6 69.842 42.433 27.409 1
1 47 . 4 1 1 A 6 6 THR N N 6 114.242 123.693 -9.451 1
1 48 . 4 1 1 A 7 7 MET H H 7 8.077 7.478 0.599 1
1 49 . 4 1 1 A 7 7 MET HA H 7 4.721 4.505 0.216 1
1 50 . 4 1 1 A 7 7 MET CA C 7 55.836 55.146 0.690 1
1 51 . 4 1 1 A 7 7 MET N N 7 121.684 114.162 7.522 1
1 52 . 4 1 1 A 8 8 LEU H H 8 8.043 7.924 0.119 1
1 53 . 4 1 1 A 8 8 LEU HA H 8 4.322 4.650 -0.328 1
1 60 . 4 1 1 A 8 8 LEU CA C 8 55.142 61.764 -6.622 1
1 63 . 4 1 1 A 8 8 LEU N N 8 122.622 115.561 7.061 1
1 64 . 4 1 1 A 9 9 SER H H 9 8.263 9.091 -0.828 1
1 65 . 4 1 1 A 9 9 SER HA H 9 4.318 4.842 -0.524 1
1 68 . 4 1 1 A 9 9 SER CA C 9 58.256 57.668 0.588 1
1 69 . 4 1 1 A 9 9 SER CB C 9 63.851 63.589 0.262 1
1 70 . 4 1 1 A 9 9 SER N N 9 116.455 124.070 -7.615 1
1 71 . 4 1 1 A 10 10 SER H H 10 8.268 8.049 0.219 1
1 72 . 4 1 1 A 10 10 SER HA H 10 4.418 4.486 -0.068 1
1 75 . 4 1 1 A 10 10 SER C C 10 175.142 176.039 -0.897 1
1 76 . 4 1 1 A 10 10 SER CA C 10 58.684 52.393 6.291 1
1 77 . 4 1 1 A 10 10 SER CB C 10 63.935 18.145 45.790 1
1 78 . 4 1 1 A 10 10 SER N N 10 117.758 124.587 -6.829 1
1 79 . 4 1 1 A 11 11 GLY H H 11 8.300 7.765 0.535 1
1 82 . 4 1 1 A 11 11 GLY C C 11 176.844 173.598 3.246 1
1 83 . 4 1 1 A 11 11 GLY CA C 11 45.340 57.566 -12.226 1
1 84 . 4 1 1 A 11 11 GLY N N 11 110.621 115.616 -4.995 1
1 85 . 4 1 1 A 12 12 ASP H H 12 8.095 8.431 -0.336 1
1 86 . 4 1 1 A 12 12 ASP HA H 12 4.520 5.540 -1.020 1
1 89 . 4 1 1 A 12 12 ASP C C 12 176.422 174.378 2.044 1
1 90 . 4 1 1 A 12 12 ASP CA C 12 54.331 54.335 -0.004 1
1 91 . 4 1 1 A 12 12 ASP CB C 12 41.101 32.679 8.422 1
1 92 . 4 1 1 A 12 12 ASP N N 12 120.276 124.994 -4.718 1
1 93 . 4 1 1 A 13 13 LEU H H 13 8.259 8.826 -0.567 1
1 94 . 4 1 1 A 13 13 LEU HA H 13 4.326 4.780 -0.454 1
1 104 . 4 1 1 A 13 13 LEU C C 13 177.829 175.101 2.728 1
1 105 . 4 1 1 A 13 13 LEU CA C 13 55.426 56.306 -0.880 1
1 106 . 4 1 1 A 13 13 LEU CB C 13 42.043 30.233 11.810 1
1 110 . 4 1 1 A 13 13 LEU N N 13 122.645 120.043 2.602 1
1 111 . 4 1 1 A 14 14 THR H H 14 8.134 9.468 -1.334 1
1 112 . 4 1 1 A 14 14 THR HA H 14 4.265 5.108 -0.843 1
1 117 . 4 1 1 A 14 14 THR C C 14 174.821 175.142 -0.321 1
1 118 . 4 1 1 A 14 14 THR CA C 14 62.228 53.985 8.243 1
1 119 . 4 1 1 A 14 14 THR CB C 14 69.762 43.946 25.816 1
1 121 . 4 1 1 A 14 14 THR N N 14 114.338 127.856 -13.518 1
1 122 . 4 1 1 A 15 15 SER H H 15 8.181 8.857 -0.676 1
1 123 . 4 1 1 A 15 15 SER HA H 15 4.429 4.886 -0.457 1
1 126 . 4 1 1 A 15 15 SER C C 15 174.213 174.100 0.113 1
1 127 . 4 1 1 A 15 15 SER CA C 15 58.321 61.594 -3.273 1
1 128 . 4 1 1 A 15 15 SER CB C 15 63.826 32.657 31.169 1
1 129 . 4 1 1 A 15 15 SER N N 15 117.846 127.140 -9.294 1
1 130 . 4 1 1 A 16 16 ALA H H 16 8.284 9.767 -1.483 1
1 131 . 4 1 1 A 16 16 ALA HA H 16 4.395 4.674 -0.279 1
1 135 . 4 1 1 A 16 16 ALA C C 16 177.160 175.192 1.968 1
1 136 . 4 1 1 A 16 16 ALA CA C 16 52.623 61.081 -8.458 1
1 137 . 4 1 1 A 16 16 ALA CB C 16 19.390 33.912 -14.522 1
1 138 . 4 1 1 A 16 16 ALA N N 16 126.207 130.606 -4.399 1
1 139 . 4 1 1 A 17 17 SER H H 17 8.035 9.217 -1.182 1
1 140 . 4 1 1 A 17 17 SER HA H 17 4.891 4.808 0.083 1
1 143 . 4 1 1 A 17 17 SER C C 17 173.472 175.323 -1.851 1
1 144 . 4 1 1 A 17 17 SER CA C 17 57.547 56.119 1.428 1
1 145 . 4 1 1 A 17 17 SER CB C 17 65.420 30.967 34.453 1
1 146 . 4 1 1 A 17 17 SER N N 17 114.521 127.672 -13.151 1
1 147 . 4 1 1 A 18 18 TRP H H 18 8.523 9.264 -0.741 1
1 148 . 4 1 1 A 18 18 TRP HA H 18 4.787 4.698 0.089 1
1 157 . 4 1 1 A 18 18 TRP C C 18 173.910 174.492 -0.582 1
1 158 . 4 1 1 A 18 18 TRP CA C 18 55.331 62.102 -6.771 1
1 159 . 4 1 1 A 18 18 TRP CB C 18 30.044 32.035 -1.991 1
1 165 . 4 1 1 A 18 18 TRP N N 18 120.348 126.033 -5.685 1
1 167 . 4 1 1 A 19 19 GLU H H 19 8.542 9.447 -0.905 1
1 168 . 4 1 1 A 19 19 GLU HA H 19 4.957 5.453 -0.496 1
1 173 . 4 1 1 A 19 19 GLU C C 19 175.089 174.426 0.663 1
1 174 . 4 1 1 A 19 19 GLU CA C 19 55.735 52.778 2.957 1
1 175 . 4 1 1 A 19 19 GLU CB C 19 31.683 44.670 -12.987 1
1 177 . 4 1 1 A 19 19 GLU N N 19 117.964 128.787 -10.823 1
1 178 . 4 1 1 A 20 20 LEU H H 20 8.813 9.259 -0.446 1
1 179 . 4 1 1 A 20 20 LEU HA H 20 4.794 5.290 -0.496 1
1 189 . 4 1 1 A 20 20 LEU C C 20 174.656 175.167 -0.511 1
1 190 . 4 1 1 A 20 20 LEU CA C 20 53.195 55.009 -1.814 1
1 191 . 4 1 1 A 20 20 LEU CB C 20 46.182 32.874 13.308 1
1 195 . 4 1 1 A 20 20 LEU N N 20 125.925 123.654 2.271 1
1 196 . 4 1 1 A 21 21 VAL H H 21 8.827 8.601 0.226 1
1 197 . 4 1 1 A 21 21 VAL HA H 21 4.499 4.499 0.000 1
1 205 . 4 1 1 A 21 21 VAL C C 21 176.157 176.648 -0.491 1
1 206 . 4 1 1 A 21 21 VAL CA C 21 62.260 51.939 10.321 1
1 207 . 4 1 1 A 21 21 VAL CB C 21 31.627 19.805 11.822 1
1 210 . 4 1 1 A 21 21 VAL N N 21 127.297 123.653 3.644 1
1 211 . 4 1 1 A 22 22 VAL H H 22 9.178 7.894 1.284 1
1 212 . 4 1 1 A 22 22 VAL HA H 22 4.348 4.894 -0.546 1
1 220 . 4 1 1 A 22 22 VAL C C 22 175.253 174.695 0.558 1
1 221 . 4 1 1 A 22 22 VAL CA C 22 60.925 51.793 9.132 1
1 222 . 4 1 1 A 22 22 VAL CB C 22 34.352 39.743 -5.391 1
1 225 . 4 1 1 A 22 22 VAL N N 22 129.937 116.835 13.102 1
1 226 . 4 1 1 A 23 23 ARG H H 23 8.104 8.698 -0.594 1
1 235 . 4 1 1 A 23 23 ARG C C 23 174.950 173.544 1.406 1
1 236 . 4 1 1 A 23 23 ARG CA C 23 55.516 46.291 9.225 1
1 240 . 4 1 1 A 23 23 ARG N N 23 125.848 113.055 12.793 1
1 242 . 4 1 1 A 24 24 VAL H H 24 9.325 7.939 1.386 1
1 243 . 4 1 1 A 24 24 VAL HA H 24 5.011 4.861 0.150 1
1 251 . 4 1 1 A 24 24 VAL C C 24 175.449 175.003 0.446 1
1 252 . 4 1 1 A 24 24 VAL CA C 24 61.634 54.415 7.219 1
1 253 . 4 1 1 A 24 24 VAL CB C 24 33.928 33.393 0.535 1
1 256 . 4 1 1 A 24 24 VAL N N 24 124.136 119.376 4.760 1
1 257 . 4 1 1 A 25 25 ASP H H 25 8.414 8.656 -0.242 1
1 258 . 4 1 1 A 25 25 ASP HA H 25 5.220 4.672 0.548 1
1 261 . 4 1 1 A 25 25 ASP C C 25 176.671 175.644 1.027 1
1 262 . 4 1 1 A 25 25 ASP CA C 25 52.956 54.420 -1.464 1
1 263 . 4 1 1 A 25 25 ASP CB C 25 43.473 30.013 13.460 1
1 264 . 4 1 1 A 25 25 ASP N N 25 126.172 119.608 6.564 1
1 265 . 4 1 1 A 26 26 HIS H H 26 9.152 8.541 0.611 1
1 266 . 4 1 1 A 26 26 HIS HA H 26 4.542 5.242 -0.700 1
1 271 . 4 1 1 A 26 26 HIS C C 26 174.917 176.263 -1.346 1
1 272 . 4 1 1 A 26 26 HIS CA C 26 56.700 55.771 0.929 1
1 273 . 4 1 1 A 26 26 HIS CB C 26 30.185 29.240 0.945 1
1 276 . 4 1 1 A 26 26 HIS N N 26 124.402 120.228 4.174 1
1 277 . 4 1 1 A 27 27 ALA H H 27 9.121 8.882 0.239 1
1 278 . 4 1 1 A 27 27 ALA HA H 27 3.984 4.897 -0.913 1
1 282 . 4 1 1 A 27 27 ALA C C 27 176.927 173.922 3.005 1
1 283 . 4 1 1 A 27 27 ALA CA C 27 53.240 61.640 -8.400 1
1 284 . 4 1 1 A 27 27 ALA CB C 27 17.122 71.114 -53.992 1
1 285 . 4 1 1 A 27 27 ALA N N 27 121.895 117.782 4.113 1
1 286 . 4 1 1 A 28 28 ASN H H 28 8.140 8.944 -0.804 1
1 287 . 4 1 1 A 28 28 ASN HA H 28 4.628 4.734 -0.106 1
1 292 . 4 1 1 A 28 28 ASN C C 28 176.389 175.292 1.097 1
1 293 . 4 1 1 A 28 28 ASN CA C 28 52.466 55.997 -3.531 1
1 294 . 4 1 1 A 28 28 ASN CB C 28 38.624 30.497 8.127 1
1 295 . 4 1 1 A 28 28 ASN N N 28 114.287 125.735 -11.448 1
1 297 . 4 1 1 A 29 29 GLY H H 29 8.254 9.472 -1.218 1
1 300 . 4 1 1 A 29 29 GLY C C 29 174.848 175.154 -0.306 1
1 301 . 4 1 1 A 29 29 GLY CA C 29 45.354 60.033 -14.679 1
1 302 . 4 1 1 A 29 29 GLY N N 29 108.650 126.517 -17.867 1
1 303 . 4 1 1 A 30 30 GLU H H 30 7.860 9.048 -1.188 1
1 304 . 4 1 1 A 30 30 GLU HA H 30 4.267 4.905 -0.638 1
1 309 . 4 1 1 A 30 30 GLU C C 30 176.802 173.868 2.934 1
1 310 . 4 1 1 A 30 30 GLU CA C 30 56.348 62.154 -5.806 1
1 311 . 4 1 1 A 30 30 GLU CB C 30 30.460 69.500 -39.040 1
1 313 . 4 1 1 A 30 30 GLU N N 30 119.375 123.198 -3.823 1
1 314 . 4 1 1 A 31 31 GLN H H 31 8.280 9.356 -1.076 1
1 315 . 4 1 1 A 31 31 GLN HA H 31 4.222 5.128 -0.906 1
1 322 . 4 1 1 A 31 31 GLN C C 31 175.995 175.352 0.643 1
1 323 . 4 1 1 A 31 31 GLN CA C 31 55.917 52.997 2.920 1
1 324 . 4 1 1 A 31 31 GLN CB C 31 30.002 44.572 -14.570 1
1 326 . 4 1 1 A 31 31 GLN N N 31 120.036 127.676 -7.640 1
1 328 . 4 1 1 A 32 32 GLN H H 32 7.520 8.900 -1.380 1
1 329 . 4 1 1 A 32 32 GLN HA H 32 4.905 4.957 -0.052 1
1 336 . 4 1 1 A 32 32 GLN C C 32 176.112 175.642 0.470 1
1 337 . 4 1 1 A 32 32 GLN CA C 32 56.211 55.390 0.821 1
1 338 . 4 1 1 A 32 32 GLN CB C 32 30.863 31.246 -0.383 1
1 340 . 4 1 1 A 32 32 GLN N N 32 123.146 124.720 -1.574 1
1 342 . 4 1 1 A 33 33 THR H H 33 8.533 8.750 -0.217 1
1 343 . 4 1 1 A 33 33 THR HA H 33 4.621 4.739 -0.118 1
1 348 . 4 1 1 A 33 33 THR C C 33 173.112 174.432 -1.320 1
1 349 . 4 1 1 A 33 33 THR CA C 33 61.506 58.921 2.585 1
1 350 . 4 1 1 A 33 33 THR CB C 33 71.605 35.027 36.578 1
1 352 . 4 1 1 A 33 33 THR N N 33 118.233 121.088 -2.855 1
1 353 . 4 1 1 A 34 34 GLU H H 34 8.711 8.385 0.326 1
1 354 . 4 1 1 A 34 34 GLU HA H 34 4.939 4.991 -0.052 1
1 359 . 4 1 1 A 34 34 GLU C C 34 175.108 176.255 -1.147 1
1 360 . 4 1 1 A 34 34 GLU CA C 34 55.553 56.350 -0.797 1
1 361 . 4 1 1 A 34 34 GLU CB C 34 31.950 65.603 -33.653 1
1 363 . 4 1 1 A 34 34 GLU N N 34 124.692 116.126 8.566 1
1 364 . 4 1 1 A 35 35 ILE H H 35 9.115 8.399 0.716 1
1 375 . 4 1 1 A 35 35 ILE C C 35 174.282 174.646 -0.364 1
1 376 . 4 1 1 A 35 35 ILE CA C 35 59.057 47.146 11.911 1
1 381 . 4 1 1 A 35 35 ILE N N 35 127.113 109.225 17.888 1
1 382 . 4 1 1 A 36 36 THR H H 36 8.545 7.823 0.722 1
1 383 . 4 1 1 A 36 36 THR HA H 36 4.772 4.732 0.040 1
1 388 . 4 1 1 A 36 36 THR C C 36 174.054 176.123 -2.069 1
1 389 . 4 1 1 A 36 36 THR CA C 36 62.257 54.412 7.845 1
1 390 . 4 1 1 A 36 36 THR CB C 36 68.948 41.082 27.866 1
1 392 . 4 1 1 A 36 36 THR N N 36 123.057 119.017 4.040 1
1 393 . 4 1 1 A 37 37 LEU H H 37 9.161 7.288 1.873 1
1 394 . 4 1 1 A 37 37 LEU HA H 37 4.503 4.299 0.204 1
1 404 . 4 1 1 A 37 37 LEU C C 37 175.047 176.053 -1.006 1
1 405 . 4 1 1 A 37 37 LEU CA C 37 52.646 54.930 -2.284 1
1 406 . 4 1 1 A 37 37 LEU CB C 37 45.951 43.110 2.841 1
1 410 . 4 1 1 A 37 37 LEU N N 37 128.195 122.571 5.624 1
1 411 . 4 1 1 A 38 38 ARG H H 38 8.258 8.752 -0.494 1
1 412 . 4 1 1 A 38 38 ARG HA H 38 4.556 5.071 -0.515 1
1 420 . 4 1 1 A 38 38 ARG C C 38 175.726 176.410 -0.684 1
1 421 . 4 1 1 A 38 38 ARG CA C 38 55.701 55.088 0.613 1
1 422 . 4 1 1 A 38 38 ARG CB C 38 29.601 31.568 -1.967 1
1 425 . 4 1 1 A 38 38 ARG N N 38 122.992 121.661 1.331 1
1 427 . 4 1 1 A 39 39 VAL H H 39 8.635 8.997 -0.362 1
1 428 . 4 1 1 A 39 39 VAL HA H 39 4.358 3.547 0.811 1
1 436 . 4 1 1 A 39 39 VAL C C 39 172.241 178.622 -6.381 1
1 437 . 4 1 1 A 39 39 VAL CA C 39 58.334 65.123 -6.789 1
1 438 . 4 1 1 A 39 39 VAL CB C 39 35.214 38.032 -2.818 1
1 441 . 4 1 1 A 39 39 VAL N N 39 118.388 120.903 -2.515 1
1 442 . 4 1 1 A 40 40 SER H H 40 6.388 8.318 -1.930 1
1 446 . 4 1 1 A 40 40 SER C C 40 175.046 176.660 -1.614 1
1 447 . 4 1 1 A 40 40 SER CA C 40 56.216 47.276 8.940 1
1 449 . 4 1 1 A 40 40 SER N N 40 108.799 107.984 0.815 1
1 450 . 4 1 1 A 41 41 GLY H H 41 9.085 7.915 1.170 1
1 451 . 4 1 1 A 41 41 GLY HA2 H 41 3.850 3.252 0.598 1
1 452 . 4 1 1 A 41 41 GLY HA3 H 41 4.321 3.602 0.719 1
1 453 . 4 1 1 A 41 41 GLY C C 41 173.137 176.004 -2.867 1
1 454 . 4 1 1 A 41 41 GLY CA C 41 47.346 46.168 1.178 1
1 455 . 4 1 1 A 41 41 GLY N N 41 107.767 109.403 -1.636 1
1 456 . 4 1 1 A 42 42 ASP H H 42 7.994 7.704 0.290 1
1 457 . 4 1 1 A 42 42 ASP HA H 42 4.498 3.570 0.928 1
1 460 . 4 1 1 A 42 42 ASP C C 42 175.609 177.555 -1.946 1
1 461 . 4 1 1 A 42 42 ASP CA C 42 53.241 65.730 -12.489 1
1 462 . 4 1 1 A 42 42 ASP CB C 42 40.331 31.556 8.775 1
1 463 . 4 1 1 A 42 42 ASP N N 42 112.956 121.385 -8.429 1
1 464 . 4 1 1 A 43 43 LEU H H 43 7.431 8.154 -0.723 1
1 465 . 4 1 1 A 43 43 LEU HA H 43 4.210 3.641 0.569 1
1 475 . 4 1 1 A 43 43 LEU C C 43 175.552 178.231 -2.679 1
1 476 . 4 1 1 A 43 43 LEU CA C 43 55.199 58.759 -3.560 1
1 477 . 4 1 1 A 43 43 LEU CB C 43 42.398 32.859 9.539 1
1 481 . 4 1 1 A 43 43 LEU N N 43 123.293 117.486 5.807 1
1 482 . 4 1 1 A 44 44 HIS H H 44 8.405 7.853 0.552 1
1 483 . 4 1 1 A 44 44 HIS HA H 44 5.154 3.913 1.241 1
1 488 . 4 1 1 A 44 44 HIS C C 44 177.511 178.639 -1.128 1
1 489 . 4 1 1 A 44 44 HIS CA C 44 54.692 57.769 -3.077 1
1 490 . 4 1 1 A 44 44 HIS CB C 44 30.868 41.896 -11.028 1
1 493 . 4 1 1 A 44 44 HIS N N 44 121.975 121.294 0.681 1
1 494 . 4 1 1 A 45 45 ILE H H 45 8.628 7.656 0.972 1
1 495 . 4 1 1 A 45 45 ILE HA H 45 3.445 3.886 -0.441 1
1 505 . 4 1 1 A 45 45 ILE C C 45 179.116 178.786 0.330 1
1 506 . 4 1 1 A 45 45 ILE CA C 45 62.585 59.515 3.070 1
1 507 . 4 1 1 A 45 45 ILE CB C 45 35.492 31.974 3.518 1
1 511 . 4 1 1 A 45 45 ILE N N 45 124.304 119.292 5.012 1
1 512 . 4 1 1 A 46 46 GLY H H 46 9.792 7.409 2.383 1
1 515 . 4 1 1 A 46 46 GLY C C 46 175.742 178.834 -3.092 1
1 516 . 4 1 1 A 46 46 GLY CA C 46 46.812 58.168 -11.356 1
1 517 . 4 1 1 A 46 46 GLY N N 46 106.610 120.166 -13.556 1
1 518 . 4 1 1 A 47 47 GLY H H 47 6.761 7.553 -0.792 1
1 521 . 4 1 1 A 47 47 GLY C C 47 176.182 178.373 -2.191 1
1 522 . 4 1 1 A 47 47 GLY CA C 47 46.819 66.796 -19.977 1
1 523 . 4 1 1 A 47 47 GLY N N 47 109.580 118.050 -8.470 1
1 524 . 4 1 1 A 48 48 VAL H H 48 7.669 7.757 -0.088 1
1 525 . 4 1 1 A 48 48 VAL HA H 48 3.083 3.976 -0.893 1
1 533 . 4 1 1 A 48 48 VAL C C 48 176.849 178.937 -2.088 1
1 534 . 4 1 1 A 48 48 VAL CA C 48 66.775 58.999 7.776 1
1 535 . 4 1 1 A 48 48 VAL CB C 48 30.944 29.205 1.739 1
1 538 . 4 1 1 A 48 48 VAL N N 48 123.461 119.920 3.541 1
1 539 . 4 1 1 A 49 49 MET H H 49 7.632 8.084 -0.452 1
1 540 . 4 1 1 A 49 49 MET HA H 49 3.143 4.040 -0.897 1
1 548 . 4 1 1 A 49 49 MET C C 49 176.774 178.702 -1.928 1
1 549 . 4 1 1 A 49 49 MET CA C 49 59.972 59.310 0.662 1
1 550 . 4 1 1 A 49 49 MET CB C 49 33.142 28.487 4.655 1
1 553 . 4 1 1 A 49 49 MET N N 49 115.691 118.874 -3.183 1
1 554 . 4 1 1 A 50 50 LEU H H 50 7.535 7.518 0.017 1
1 555 . 4 1 1 A 50 50 LEU HA H 50 3.821 4.551 -0.730 1
1 565 . 4 1 1 A 50 50 LEU C C 50 179.001 175.366 3.635 1
1 566 . 4 1 1 A 50 50 LEU CA C 50 57.910 55.600 2.310 1
1 567 . 4 1 1 A 50 50 LEU CB C 50 41.821 32.979 8.842 1
1 571 . 4 1 1 A 50 50 LEU N N 50 117.445 117.127 0.318 1
1 572 . 4 1 1 A 51 51 LYS H H 51 7.447 7.685 -0.238 1
1 573 . 4 1 1 A 51 51 LYS HA H 51 3.880 4.398 -0.518 1
1 582 . 4 1 1 A 51 51 LYS C C 51 178.975 174.755 4.220 1
1 583 . 4 1 1 A 51 51 LYS CA C 51 59.003 54.575 4.428 1
1 584 . 4 1 1 A 51 51 LYS CB C 51 32.890 37.039 -4.149 1
1 588 . 4 1 1 A 51 51 LYS N N 51 118.306 115.886 2.420 1
1 589 . 4 1 1 A 52 52 LEU H H 52 7.547 8.088 -0.541 1
1 590 . 4 1 1 A 52 52 LEU HA H 52 3.523 4.110 -0.587 1
1 600 . 4 1 1 A 52 52 LEU C C 52 177.676 175.671 2.005 1
1 601 . 4 1 1 A 52 52 LEU CA C 52 58.038 61.827 -3.789 1
1 602 . 4 1 1 A 52 52 LEU CB C 52 41.660 38.092 3.568 1
1 606 . 4 1 1 A 52 52 LEU N N 52 119.198 119.548 -0.350 1
1 607 . 4 1 1 A 53 53 VAL H H 53 7.368 8.371 -1.003 1
1 608 . 4 1 1 A 53 53 VAL HA H 53 2.469 4.239 -1.770 1
1 616 . 4 1 1 A 53 53 VAL C C 53 179.189 177.647 1.542 1
1 617 . 4 1 1 A 53 53 VAL CA C 53 66.706 52.949 13.757 1
1 618 . 4 1 1 A 53 53 VAL CB C 53 31.343 19.279 12.064 1
1 621 . 4 1 1 A 53 53 VAL N N 53 117.879 130.074 -12.195 1
1 622 . 4 1 1 A 54 54 GLU H H 54 7.966 8.544 -0.578 1
1 623 . 4 1 1 A 54 54 GLU HA H 54 3.865 4.602 -0.737 1
1 628 . 4 1 1 A 54 54 GLU C C 54 178.593 175.144 3.449 1
1 629 . 4 1 1 A 54 54 GLU CA C 54 58.935 56.771 2.164 1
1 630 . 4 1 1 A 54 54 GLU CB C 54 29.772 29.029 0.743 1
1 632 . 4 1 1 A 54 54 GLU N N 54 119.295 122.725 -3.430 1
1 633 . 4 1 1 A 55 55 GLN H H 55 7.651 8.420 -0.769 1
1 634 . 4 1 1 A 55 55 GLN HA H 55 4.005 4.991 -0.986 1
1 641 . 4 1 1 A 55 55 GLN C C 55 177.512 175.527 1.985 1
1 642 . 4 1 1 A 55 55 GLN CA C 55 57.362 53.119 4.243 1
1 643 . 4 1 1 A 55 55 GLN CB C 55 28.938 41.735 -12.797 1
1 645 . 4 1 1 A 55 55 GLN N N 55 116.036 124.873 -8.837 1
1 647 . 4 1 1 A 56 56 MET H H 56 7.691 8.026 -0.335 1
1 648 . 4 1 1 A 56 56 MET HA H 56 4.316 4.946 -0.630 1
1 656 . 4 1 1 A 56 56 MET C C 56 176.572 176.758 -0.186 1
1 657 . 4 1 1 A 56 56 MET CA C 56 56.492 55.711 0.781 1
1 658 . 4 1 1 A 56 56 MET CB C 56 32.901 26.964 5.937 1
1 661 . 4 1 1 A 56 56 MET N N 56 117.664 123.641 -5.977 1
1 662 . 4 1 1 A 57 57 ASN H H 57 7.816 8.401 -0.585 1
1 663 . 4 1 1 A 57 57 ASN HA H 57 4.495 4.387 0.108 1
1 668 . 4 1 1 A 57 57 ASN C C 57 174.613 174.534 0.079 1
1 669 . 4 1 1 A 57 57 ASN CA C 57 53.813 61.836 -8.023 1
1 670 . 4 1 1 A 57 57 ASN CB C 57 37.713 63.196 -25.483 1
1 671 . 4 1 1 A 57 57 ASN N N 57 115.864 120.748 -4.884 1
1 673 . 4 1 1 A 58 58 ILE H H 58 8.391 7.909 0.482 1
1 674 . 4 1 1 A 58 58 ILE HA H 58 4.284 5.271 -0.987 1
1 684 . 4 1 1 A 58 58 ILE C C 58 175.277 174.893 0.384 1
1 685 . 4 1 1 A 58 58 ILE CA C 58 60.631 53.236 7.395 1
1 686 . 4 1 1 A 58 58 ILE CB C 58 41.470 43.372 -1.902 1
1 690 . 4 1 1 A 58 58 ILE N N 58 117.760 120.220 -2.460 1
1 691 . 4 1 1 A 59 59 ALA H H 59 8.438 8.662 -0.224 1
1 692 . 4 1 1 A 59 59 ALA HA H 59 4.535 5.265 -0.730 1
1 696 . 4 1 1 A 59 59 ALA C C 59 175.554 173.484 2.070 1
1 697 . 4 1 1 A 59 59 ALA CA C 59 51.604 56.707 -5.103 1
1 698 . 4 1 1 A 59 59 ALA CB C 59 17.256 41.363 -24.107 1
1 699 . 4 1 1 A 59 59 ALA N N 59 129.371 120.587 8.784 1
1 700 . 4 1 1 A 60 60 GLN H H 60 7.498 8.247 -0.749 1
1 701 . 4 1 1 A 60 60 GLN HA H 60 4.291 4.955 -0.664 1
1 708 . 4 1 1 A 60 60 GLN C C 60 172.908 175.304 -2.396 1
1 709 . 4 1 1 A 60 60 GLN CA C 60 53.492 51.393 2.099 1
1 710 . 4 1 1 A 60 60 GLN CB C 60 30.340 23.233 7.107 1
1 712 . 4 1 1 A 60 60 GLN N N 60 120.550 121.567 -1.017 1
1 714 . 4 1 1 A 61 61 ASP H H 61 8.086 8.811 -0.725 1
1 715 . 4 1 1 A 61 61 ASP HA H 61 4.622 5.292 -0.670 1
1 718 . 4 1 1 A 61 61 ASP C C 61 177.529 174.927 2.602 1
1 719 . 4 1 1 A 61 61 ASP CA C 61 53.520 53.978 -0.458 1
1 720 . 4 1 1 A 61 61 ASP CB C 61 40.493 44.755 -4.262 1
1 721 . 4 1 1 A 61 61 ASP N N 61 118.225 121.034 -2.809 1
1 722 . 4 1 1 A 62 62 TRP H H 62 8.999 9.467 -0.468 1
1 723 . 4 1 1 A 62 62 TRP HA H 62 4.578 5.308 -0.730 1
1 732 . 4 1 1 A 62 62 TRP C C 62 178.609 174.457 4.152 1
1 733 . 4 1 1 A 62 62 TRP CA C 62 57.200 54.217 2.983 1
1 734 . 4 1 1 A 62 62 TRP CB C 62 29.155 31.719 -2.564 1
1 740 . 4 1 1 A 62 62 TRP N N 62 129.134 128.248 0.886 1
1 742 . 4 1 1 A 63 63 SER H H 63 8.756 8.866 -0.110 1
1 743 . 4 1 1 A 63 63 SER HA H 63 4.127 4.711 -0.584 1
1 746 . 4 1 1 A 63 63 SER C C 63 175.119 175.170 -0.051 1
1 747 . 4 1 1 A 63 63 SER CA C 63 62.933 55.762 7.171 1
1 748 . 4 1 1 A 63 63 SER CB C 63 63.120 29.453 33.667 1
1 749 . 4 1 1 A 63 63 SER N N 63 119.231 129.702 -10.471 1
1 750 . 4 1 1 A 64 64 ASP H H 64 9.095 8.347 0.748 1
1 751 . 4 1 1 A 64 64 ASP HA H 64 4.876 3.744 1.132 1
1 754 . 4 1 1 A 64 64 ASP C C 64 177.267 178.195 -0.928 1
1 755 . 4 1 1 A 64 64 ASP CA C 64 54.157 59.485 -5.328 1
1 756 . 4 1 1 A 64 64 ASP CB C 64 43.116 29.595 13.521 1
1 757 . 4 1 1 A 64 64 ASP N N 64 120.137 126.075 -5.938 1
1 758 . 4 1 1 A 65 65 TYR H H 65 7.991 8.107 -0.116 1
1 759 . 4 1 1 A 65 65 TYR HA H 65 4.151 4.015 0.136 1
1 766 . 4 1 1 A 65 65 TYR C C 65 175.746 178.036 -2.290 1
1 767 . 4 1 1 A 65 65 TYR CA C 65 59.053 58.954 0.099 1
1 768 . 4 1 1 A 65 65 TYR CB C 65 38.836 28.292 10.544 1
1 773 . 4 1 1 A 65 65 TYR N N 65 121.458 118.937 2.521 1
1 774 . 4 1 1 A 66 66 ALA H H 66 8.698 6.803 1.895 1
1 775 . 4 1 1 A 66 66 ALA HA H 66 4.794 3.841 0.953 1
1 779 . 4 1 1 A 66 66 ALA C C 66 175.126 175.300 -0.174 1
1 780 . 4 1 1 A 66 66 ALA CA C 66 51.166 55.812 -4.646 1
1 781 . 4 1 1 A 66 66 ALA CB C 66 23.771 31.799 -8.028 1
1 782 . 4 1 1 A 66 66 ALA N N 66 122.944 116.439 6.505 1
1 783 . 4 1 1 A 67 67 LEU H H 67 9.131 7.119 2.012 1
1 784 . 4 1 1 A 67 67 LEU HA H 67 5.498 3.308 2.190 1
1 794 . 4 1 1 A 67 67 LEU C C 67 174.489 174.278 0.211 1
1 795 . 4 1 1 A 67 67 LEU CA C 67 53.987 56.521 -2.534 1
1 796 . 4 1 1 A 67 67 LEU CB C 67 44.080 28.132 15.948 1
1 800 . 4 1 1 A 67 67 LEU N N 67 118.646 116.459 2.187 1
1 801 . 4 1 1 A 68 68 TRP H H 68 9.934 6.481 3.453 1
1 802 . 4 1 1 A 68 68 TRP HA H 68 4.680 4.895 -0.215 1
1 811 . 4 1 1 A 68 68 TRP C C 68 174.148 172.775 1.373 1
1 812 . 4 1 1 A 68 68 TRP CA C 68 55.276 58.048 -2.772 1
1 813 . 4 1 1 A 68 68 TRP CB C 68 30.222 31.880 -1.658 1
1 819 . 4 1 1 A 68 68 TRP N N 68 126.978 116.742 10.236 1
1 821 . 4 1 1 A 69 69 TRP H H 69 8.507 8.920 -0.413 1
1 822 . 4 1 1 A 69 69 TRP HA H 69 5.060 5.683 -0.623 1
1 831 . 4 1 1 A 69 69 TRP C C 69 175.837 176.048 -0.211 1
1 832 . 4 1 1 A 69 69 TRP CA C 69 52.520 56.327 -3.807 1
1 833 . 4 1 1 A 69 69 TRP CB C 69 30.500 31.330 -0.830 1
1 839 . 4 1 1 A 69 69 TRP N N 69 129.756 124.526 5.230 1
1 841 . 4 1 1 A 70 70 GLU H H 70 8.917 9.438 -0.521 1
1 842 . 4 1 1 A 70 70 GLU HA H 70 3.817 4.451 -0.634 1
1 847 . 4 1 1 A 70 70 GLU C C 70 179.449 177.023 2.426 1
1 848 . 4 1 1 A 70 70 GLU CA C 70 60.208 54.739 5.469 1
1 849 . 4 1 1 A 70 70 GLU CB C 70 29.937 40.867 -10.930 1
1 851 . 4 1 1 A 70 70 GLU N N 70 126.517 126.234 0.283 1
1 852 . 4 1 1 A 71 71 GLN H H 71 8.515 8.170 0.345 1
1 853 . 4 1 1 A 71 71 GLN HA H 71 3.782 4.744 -0.962 1
1 860 . 4 1 1 A 71 71 GLN C C 71 177.266 176.977 0.289 1
1 861 . 4 1 1 A 71 71 GLN CA C 71 61.006 54.331 6.675 1
1 862 . 4 1 1 A 71 71 GLN CB C 71 27.451 42.288 -14.837 1
1 864 . 4 1 1 A 71 71 GLN N N 71 114.822 125.840 -11.018 1
1 866 . 4 1 1 A 72 72 LYS H H 72 5.086 7.371 -2.285 1
1 867 . 4 1 1 A 72 72 LYS HA H 72 3.719 4.342 -0.623 1
1 876 . 4 1 1 A 72 72 LYS C C 72 174.268 177.450 -3.182 1
1 877 . 4 1 1 A 72 72 LYS CA C 72 53.864 54.851 -0.987 1
1 878 . 4 1 1 A 72 72 LYS CB C 72 33.242 29.966 3.276 1
1 882 . 4 1 1 A 72 72 LYS N N 72 112.499 120.321 -7.822 1
1 883 . 4 1 1 A 73 73 ARG H H 73 7.402 7.889 -0.487 1
1 884 . 4 1 1 A 73 73 ARG HA H 73 2.800 4.266 -1.466 1
1 892 . 4 1 1 A 73 73 ARG C C 73 173.935 176.335 -2.400 1
1 893 . 4 1 1 A 73 73 ARG CA C 73 56.187 64.719 -8.532 1
1 894 . 4 1 1 A 73 73 ARG CB C 73 26.602 68.970 -42.368 1
1 897 . 4 1 1 A 73 73 ARG N N 73 118.477 113.623 4.854 1
1 899 . 4 1 1 A 74 74 CYS H H 74 6.242 7.907 -1.665 1
1 900 . 4 1 1 A 74 74 CYS HA H 74 4.671 4.437 0.234 1
1 903 . 4 1 1 A 74 74 CYS C C 74 171.332 175.637 -4.305 1
1 904 . 4 1 1 A 74 74 CYS CA C 74 54.443 57.618 -3.175 1
1 905 . 4 1 1 A 74 74 CYS CB C 74 31.599 30.571 1.028 1
1 906 . 4 1 1 A 74 74 CYS N N 74 110.705 121.139 -10.434 1
1 907 . 4 1 1 A 75 75 TRP H H 75 8.567 7.969 0.598 1
1 908 . 4 1 1 A 75 75 TRP HA H 75 5.414 4.992 0.422 1
1 917 . 4 1 1 A 75 75 TRP C C 75 177.638 176.522 1.116 1
1 918 . 4 1 1 A 75 75 TRP CA C 75 55.720 56.242 -0.522 1
1 919 . 4 1 1 A 75 75 TRP CB C 75 30.966 31.499 -0.533 1
1 925 . 4 1 1 A 75 75 TRP N N 75 120.876 119.499 1.377 1
1 927 . 4 1 1 A 76 76 LEU H H 76 9.181 8.882 0.299 1
1 928 . 4 1 1 A 76 76 LEU HA H 76 4.737 4.776 -0.039 1
1 938 . 4 1 1 A 76 76 LEU C C 76 175.745 176.320 -0.575 1
1 939 . 4 1 1 A 76 76 LEU CA C 76 53.729 60.307 -6.578 1
1 940 . 4 1 1 A 76 76 LEU CB C 76 40.810 71.701 -30.891 1
1 944 . 4 1 1 A 76 76 LEU N N 76 125.488 114.845 10.643 1
1 945 . 4 1 1 A 77 77 LEU H H 77 7.711 9.042 -1.331 1
1 946 . 4 1 1 A 77 77 LEU HA H 77 4.416 4.067 0.349 1
1 956 . 4 1 1 A 77 77 LEU C C 77 178.257 178.844 -0.587 1
1 957 . 4 1 1 A 77 77 LEU CA C 77 54.539 58.173 -3.634 1
1 958 . 4 1 1 A 77 77 LEU CB C 77 42.566 41.503 1.063 1
1 962 . 4 1 1 A 77 77 LEU N N 77 119.493 122.474 -2.981 1
1 963 . 4 1 1 A 78 78 LYS H H 78 8.173 8.697 -0.524 1
1 964 . 4 1 1 A 78 78 LYS HA H 78 4.380 4.401 -0.021 1
1 973 . 4 1 1 A 78 78 LYS C C 78 177.029 178.158 -1.129 1
1 974 . 4 1 1 A 78 78 LYS CA C 78 54.048 57.044 -2.996 1
1 975 . 4 1 1 A 78 78 LYS CB C 78 28.755 39.941 -11.186 1
1 979 . 4 1 1 A 78 78 LYS N N 78 121.730 118.556 3.174 1
1 980 . 4 1 1 A 79 79 THR H H 79 7.812 7.610 0.202 1
1 981 . 4 1 1 A 79 79 THR HA H 79 3.677 3.982 -0.305 1
1 986 . 4 1 1 A 79 79 THR C C 79 175.193 179.073 -3.880 1
1 987 . 4 1 1 A 79 79 THR CA C 79 64.890 59.341 5.549 1
1 988 . 4 1 1 A 79 79 THR CB C 79 68.447 32.041 36.406 1
1 990 . 4 1 1 A 79 79 THR N N 79 114.142 119.477 -5.335 1
1 991 . 4 1 1 A 80 80 HIS H H 80 8.929 8.036 0.893 1
1 992 . 4 1 1 A 80 80 HIS HA H 80 4.759 4.746 0.013 1
1 995 . 4 1 1 A 80 80 HIS C C 80 175.622 175.496 0.126 1
1 996 . 4 1 1 A 80 80 HIS CA C 80 56.078 60.117 -4.039 1
1 997 . 4 1 1 A 80 80 HIS CB C 80 29.927 27.942 1.985 1
1 998 . 4 1 1 A 80 80 HIS N N 80 117.372 116.824 0.548 1
1 999 . 4 1 1 A 81 81 TRP H H 81 8.544 8.354 0.190 1
1 1009 . 4 1 1 A 81 81 TRP C C 81 175.952 174.378 1.574 1
1 1010 . 4 1 1 A 81 81 TRP CA C 81 56.009 45.700 10.309 1
1 1017 . 4 1 1 A 81 81 TRP N N 81 122.512 108.872 13.640 1
1 1019 . 4 1 1 A 82 82 THR H H 82 7.587 7.950 -0.363 1
1 1020 . 4 1 1 A 82 82 THR HA H 82 4.725 4.080 0.645 1
1 1025 . 4 1 1 A 82 82 THR C C 82 176.305 174.582 1.723 1
1 1026 . 4 1 1 A 82 82 THR CA C 82 60.250 61.473 -1.223 1
1 1027 . 4 1 1 A 82 82 THR CB C 82 70.601 31.699 38.902 1
1 1029 . 4 1 1 A 82 82 THR N N 82 109.728 122.062 -12.334 1
1 1030 . 4 1 1 A 83 83 LEU H H 83 8.354 8.547 -0.193 1
1 1031 . 4 1 1 A 83 83 LEU HA H 83 3.798 3.855 -0.057 1
1 1040 . 4 1 1 A 83 83 LEU C C 83 179.461 176.099 3.362 1
1 1041 . 4 1 1 A 83 83 LEU CA C 83 59.442 53.519 5.923 1
1 1042 . 4 1 1 A 83 83 LEU CB C 83 40.758 30.871 9.887 1
1 1045 . 4 1 1 A 83 83 LEU N N 83 122.120 126.671 -4.551 1
1 1046 . 4 1 1 A 84 84 ASP H H 84 8.985 7.860 1.125 1
1 1047 . 4 1 1 A 84 84 ASP HA H 84 4.427 4.052 0.375 1
1 1050 . 4 1 1 A 84 84 ASP C C 84 179.464 177.591 1.873 1
1 1051 . 4 1 1 A 84 84 ASP CA C 84 57.459 54.380 3.079 1
1 1052 . 4 1 1 A 84 84 ASP CB C 84 40.243 18.406 21.837 1
1 1053 . 4 1 1 A 84 84 ASP N N 84 118.020 122.261 -4.241 1
1 1054 . 4 1 1 A 85 85 LYS H H 85 8.134 8.132 0.002 1
1 1055 . 4 1 1 A 85 85 LYS HA H 85 3.820 4.620 -0.800 1
1 1064 . 4 1 1 A 85 85 LYS C C 85 178.824 175.956 2.868 1
1 1065 . 4 1 1 A 85 85 LYS CA C 85 59.103 53.390 5.713 1
1 1066 . 4 1 1 A 85 85 LYS CB C 85 32.229 39.922 -7.693 1
1 1070 . 4 1 1 A 85 85 LYS N N 85 123.380 114.829 8.551 1
1 1071 . 4 1 1 A 86 86 CYS H H 86 8.083 7.212 0.871 1
1 1072 . 4 1 1 A 86 86 CYS HA H 86 4.439 4.804 -0.365 1
1 1075 . 4 1 1 A 86 86 CYS C C 86 174.621 176.555 -1.934 1
1 1076 . 4 1 1 A 86 86 CYS CA C 86 61.800 51.236 10.564 1
1 1077 . 4 1 1 A 86 86 CYS CB C 86 28.700 20.051 8.649 1
1 1078 . 4 1 1 A 86 86 CYS N N 86 113.734 123.287 -9.553 1
1 1079 . 4 1 1 A 87 87 GLY H H 87 7.904 8.879 -0.975 1
1 1082 . 4 1 1 A 87 87 GLY C C 87 174.471 174.090 0.381 1
1 1083 . 4 1 1 A 87 87 GLY CA C 87 45.434 53.102 -7.668 1
1 1084 . 4 1 1 A 87 87 GLY N N 87 107.243 122.007 -14.764 1
1 1085 . 4 1 1 A 88 88 VAL H H 88 7.635 8.978 -1.343 1
1 1086 . 4 1 1 A 88 88 VAL HA H 88 3.165 5.261 -2.096 1
1 1094 . 4 1 1 A 88 88 VAL C C 88 173.926 174.182 -0.256 1
1 1095 . 4 1 1 A 88 88 VAL CA C 88 63.281 53.161 10.120 1
1 1096 . 4 1 1 A 88 88 VAL CB C 88 31.892 45.342 -13.450 1
1 1099 . 4 1 1 A 88 88 VAL N N 88 122.351 128.745 -6.394 1
1 1100 . 4 1 1 A 89 89 GLN H H 89 7.651 9.332 -1.681 1
1 1101 . 4 1 1 A 89 89 GLN HA H 89 3.946 5.614 -1.668 1
1 1108 . 4 1 1 A 89 89 GLN C C 89 175.629 174.257 1.372 1
1 1109 . 4 1 1 A 89 89 GLN CA C 89 53.861 52.690 1.171 1
1 1110 . 4 1 1 A 89 89 GLN CB C 89 31.010 45.825 -14.815 1
1 1112 . 4 1 1 A 89 89 GLN N N 89 125.820 128.224 -2.404 1
1 1114 . 4 1 1 A 90 90 ALA H H 90 7.025 9.447 -2.422 1
1 1115 . 4 1 1 A 90 90 ALA HA H 90 3.873 5.529 -1.656 1
1 1119 . 4 1 1 A 90 90 ALA C C 90 177.042 173.919 3.123 1
1 1120 . 4 1 1 A 90 90 ALA CA C 90 54.869 55.130 -0.261 1
1 1121 . 4 1 1 A 90 90 ALA CB C 90 18.818 41.465 -22.647 1
1 1122 . 4 1 1 A 90 90 ALA N N 90 118.713 127.776 -9.063 1
1 1123 . 4 1 1 A 91 91 ASP H H 91 8.310 8.624 -0.314 1
1 1124 . 4 1 1 A 91 91 ASP HA H 91 4.415 5.044 -0.629 1
1 1127 . 4 1 1 A 91 91 ASP C C 91 176.371 171.868 4.503 1
1 1128 . 4 1 1 A 91 91 ASP CA C 91 53.133 58.125 -4.992 1
1 1129 . 4 1 1 A 91 91 ASP CB C 91 39.673 72.648 -32.975 1
1 1130 . 4 1 1 A 91 91 ASP N N 91 113.050 121.424 -8.374 1
1 1132 . 4 1 1 A 92 92 ALA HA H 92 4.237 4.892 -0.655 1
1 1136 . 4 1 1 A 92 92 ALA C C 92 176.536 177.551 -1.015 1
1 1137 . 4 1 1 A 92 92 ALA CA C 92 53.721 63.290 -9.569 1
1 1138 . 4 1 1 A 92 92 ALA CB C 92 19.774 32.032 -12.258 1
1 1139 . 4 1 1 A 92 92 ALA N N 92 124.114 141.249 -17.135 1
1 1140 . 4 1 1 A 93 93 ASN H H 93 9.478 8.662 0.816 1
1 1141 . 4 1 1 A 93 93 ASN HA H 93 5.141 3.470 1.671 1
1 1146 . 4 1 1 A 93 93 ASN C C 93 173.906 176.051 -2.145 1
1 1147 . 4 1 1 A 93 93 ASN CA C 93 52.433 58.105 -5.672 1
1 1148 . 4 1 1 A 93 93 ASN CB C 93 38.547 27.665 10.882 1
1 1149 . 4 1 1 A 93 93 ASN N N 93 123.235 123.536 -0.301 1
1 1151 . 4 1 1 A 94 94 LEU H H 94 8.675 7.980 0.695 1
1 1152 . 4 1 1 A 94 94 LEU HA H 94 5.429 4.611 0.818 1
1 1162 . 4 1 1 A 94 94 LEU C C 94 175.486 175.140 0.346 1
1 1163 . 4 1 1 A 94 94 LEU CA C 94 53.003 56.644 -3.641 1
1 1164 . 4 1 1 A 94 94 LEU CB C 94 44.739 27.908 16.831 1
1 1168 . 4 1 1 A 94 94 LEU N N 94 122.901 118.406 4.495 1
1 1169 . 4 1 1 A 95 95 LEU H H 95 9.412 7.853 1.559 1
1 1170 . 4 1 1 A 95 95 LEU HA H 95 5.388 3.792 1.596 1
1 1180 . 4 1 1 A 95 95 LEU C C 95 174.403 176.723 -2.320 1
1 1181 . 4 1 1 A 95 95 LEU CA C 95 53.155 57.698 -4.543 1
1 1182 . 4 1 1 A 95 95 LEU CB C 95 46.432 32.156 14.276 1
1 1186 . 4 1 1 A 95 95 LEU N N 95 126.034 126.391 -0.357 1
1 3 . 5 1 1 A 1 1 GLY C C 1 173.950 173.653 0.297 1
1 4 . 5 1 1 A 1 1 GLY CA C 1 45.289 54.353 -9.064 1
1 5 . 5 1 1 A 2 2 ILE H H 2 8.026 8.503 -0.477 1
1 6 . 5 1 1 A 2 2 ILE HA H 2 4.518 4.473 0.045 1
1 16 . 5 1 1 A 2 2 ILE CA C 2 54.315 55.990 -1.675 1
1 17 . 5 1 1 A 2 2 ILE CB C 2 41.381 42.423 -1.042 1
1 21 . 5 1 1 A 2 2 ILE N N 2 120.237 124.376 -4.139 1
1 22 . 5 1 1 A 3 3 ASP H H 3 8.212 8.756 -0.544 1
1 25 . 5 1 1 A 3 3 ASP CB C 3 41.116 61.917 -20.801 1
1 26 . 5 1 1 A 3 3 ASP N N 3 126.816 119.093 7.723 1
1 27 . 5 1 1 A 4 4 PRO HA H 4 3.818 4.496 -0.678 1
1 28 . 5 1 1 A 4 4 PRO C C 4 176.930 175.015 1.915 1
1 29 . 5 1 1 A 4 4 PRO CA C 4 63.589 58.482 5.107 1
1 30 . 5 1 1 A 5 5 PHE H H 5 8.214 7.760 0.454 1
1 33 . 5 1 1 A 5 5 PHE C C 5 176.204 173.471 2.733 1
1 34 . 5 1 1 A 5 5 PHE CA C 5 58.089 46.976 11.113 1
1 36 . 5 1 1 A 5 5 PHE N N 5 118.317 109.447 8.870 1
1 37 . 5 1 1 A 6 6 THR H H 6 7.789 8.022 -0.233 1
1 38 . 5 1 1 A 6 6 THR HA H 6 4.268 4.564 -0.296 1
1 43 . 5 1 1 A 6 6 THR C C 6 174.096 177.046 -2.950 1
1 44 . 5 1 1 A 6 6 THR CA C 6 62.228 54.896 7.332 1
1 45 . 5 1 1 A 6 6 THR CB C 6 69.842 41.800 28.042 1
1 47 . 5 1 1 A 6 6 THR N N 6 114.242 123.436 -9.194 1
1 48 . 5 1 1 A 7 7 MET H H 7 8.077 8.765 -0.688 1
1 49 . 5 1 1 A 7 7 MET HA H 7 4.721 4.475 0.246 1
1 50 . 5 1 1 A 7 7 MET CA C 7 55.836 54.346 1.490 1
1 51 . 5 1 1 A 7 7 MET N N 7 121.684 127.129 -5.445 1
1 52 . 5 1 1 A 8 8 LEU H H 8 8.043 7.963 0.080 1
1 53 . 5 1 1 A 8 8 LEU HA H 8 4.322 4.499 -0.177 1
1 60 . 5 1 1 A 8 8 LEU CA C 8 55.142 61.920 -6.778 1
1 63 . 5 1 1 A 8 8 LEU N N 8 122.622 115.555 7.067 1
1 64 . 5 1 1 A 9 9 SER H H 9 8.263 8.017 0.246 1
1 65 . 5 1 1 A 9 9 SER HA H 9 4.318 4.495 -0.177 1
1 68 . 5 1 1 A 9 9 SER CA C 9 58.256 58.935 -0.679 1
1 69 . 5 1 1 A 9 9 SER CB C 9 63.851 61.146 2.705 1
1 70 . 5 1 1 A 9 9 SER N N 9 116.455 115.116 1.339 1
1 71 . 5 1 1 A 10 10 SER H H 10 8.268 7.759 0.509 1
1 72 . 5 1 1 A 10 10 SER HA H 10 4.418 4.721 -0.303 1
1 75 . 5 1 1 A 10 10 SER C C 10 175.142 176.158 -1.016 1
1 76 . 5 1 1 A 10 10 SER CA C 10 58.684 50.414 8.270 1
1 77 . 5 1 1 A 10 10 SER CB C 10 63.935 21.302 42.633 1
1 78 . 5 1 1 A 10 10 SER N N 10 117.758 122.427 -4.669 1
1 79 . 5 1 1 A 11 11 GLY H H 11 8.300 8.783 -0.483 1
1 82 . 5 1 1 A 11 11 GLY C C 11 176.844 174.279 2.565 1
1 83 . 5 1 1 A 11 11 GLY CA C 11 45.340 58.096 -12.756 1
1 84 . 5 1 1 A 11 11 GLY N N 11 110.621 119.904 -9.283 1
1 85 . 5 1 1 A 12 12 ASP H H 12 8.095 8.268 -0.173 1
1 86 . 5 1 1 A 12 12 ASP HA H 12 4.520 5.624 -1.104 1
1 89 . 5 1 1 A 12 12 ASP C C 12 176.422 175.308 1.114 1
1 90 . 5 1 1 A 12 12 ASP CA C 12 54.331 54.743 -0.412 1
1 91 . 5 1 1 A 12 12 ASP CB C 12 41.101 32.365 8.736 1
1 92 . 5 1 1 A 12 12 ASP N N 12 120.276 125.443 -5.167 1
1 93 . 5 1 1 A 13 13 LEU H H 13 8.259 8.531 -0.272 1
1 94 . 5 1 1 A 13 13 LEU HA H 13 4.326 4.673 -0.347 1
1 104 . 5 1 1 A 13 13 LEU C C 13 177.829 175.580 2.249 1
1 105 . 5 1 1 A 13 13 LEU CA C 13 55.426 56.160 -0.734 1
1 106 . 5 1 1 A 13 13 LEU CB C 13 42.043 30.073 11.970 1
1 110 . 5 1 1 A 13 13 LEU N N 13 122.645 119.983 2.662 1
1 111 . 5 1 1 A 14 14 THR H H 14 8.134 9.525 -1.391 1
1 112 . 5 1 1 A 14 14 THR HA H 14 4.265 5.243 -0.978 1
1 117 . 5 1 1 A 14 14 THR C C 14 174.821 174.918 -0.097 1
1 118 . 5 1 1 A 14 14 THR CA C 14 62.228 53.725 8.503 1
1 119 . 5 1 1 A 14 14 THR CB C 14 69.762 45.396 24.366 1
1 121 . 5 1 1 A 14 14 THR N N 14 114.338 126.749 -12.411 1
1 122 . 5 1 1 A 15 15 SER H H 15 8.181 8.838 -0.657 1
1 123 . 5 1 1 A 15 15 SER HA H 15 4.429 4.599 -0.170 1
1 126 . 5 1 1 A 15 15 SER C C 15 174.213 174.231 -0.018 1
1 127 . 5 1 1 A 15 15 SER CA C 15 58.321 61.719 -3.398 1
1 128 . 5 1 1 A 15 15 SER CB C 15 63.826 32.623 31.203 1
1 129 . 5 1 1 A 15 15 SER N N 15 117.846 126.908 -9.062 1
1 130 . 5 1 1 A 16 16 ALA H H 16 8.284 9.545 -1.261 1
1 131 . 5 1 1 A 16 16 ALA HA H 16 4.395 5.079 -0.684 1
1 135 . 5 1 1 A 16 16 ALA C C 16 177.160 175.013 2.147 1
1 136 . 5 1 1 A 16 16 ALA CA C 16 52.623 61.067 -8.444 1
1 137 . 5 1 1 A 16 16 ALA CB C 16 19.390 34.391 -15.001 1
1 138 . 5 1 1 A 16 16 ALA N N 16 126.207 130.379 -4.172 1
1 139 . 5 1 1 A 17 17 SER H H 17 8.035 8.730 -0.695 1
1 140 . 5 1 1 A 17 17 SER HA H 17 4.891 5.328 -0.437 1
1 143 . 5 1 1 A 17 17 SER C C 17 173.472 175.301 -1.829 1
1 144 . 5 1 1 A 17 17 SER CA C 17 57.547 55.841 1.706 1
1 145 . 5 1 1 A 17 17 SER CB C 17 65.420 31.021 34.399 1
1 146 . 5 1 1 A 17 17 SER N N 17 114.521 127.808 -13.287 1
1 147 . 5 1 1 A 18 18 TRP H H 18 8.523 9.056 -0.533 1
1 148 . 5 1 1 A 18 18 TRP HA H 18 4.787 4.948 -0.161 1
1 157 . 5 1 1 A 18 18 TRP C C 18 173.910 174.251 -0.341 1
1 158 . 5 1 1 A 18 18 TRP CA C 18 55.331 61.999 -6.668 1
1 159 . 5 1 1 A 18 18 TRP CB C 18 30.044 32.118 -2.074 1
1 165 . 5 1 1 A 18 18 TRP N N 18 120.348 125.651 -5.303 1
1 167 . 5 1 1 A 19 19 GLU H H 19 8.542 9.510 -0.968 1
1 168 . 5 1 1 A 19 19 GLU HA H 19 4.957 4.968 -0.011 1
1 173 . 5 1 1 A 19 19 GLU C C 19 175.089 174.617 0.472 1
1 174 . 5 1 1 A 19 19 GLU CA C 19 55.735 52.265 3.470 1
1 175 . 5 1 1 A 19 19 GLU CB C 19 31.683 42.699 -11.016 1
1 177 . 5 1 1 A 19 19 GLU N N 19 117.964 128.793 -10.829 1
1 178 . 5 1 1 A 20 20 LEU H H 20 8.813 8.975 -0.162 1
1 179 . 5 1 1 A 20 20 LEU HA H 20 4.794 4.785 0.009 1
1 189 . 5 1 1 A 20 20 LEU C C 20 174.656 174.544 0.112 1
1 190 . 5 1 1 A 20 20 LEU CA C 20 53.195 55.591 -2.396 1
1 191 . 5 1 1 A 20 20 LEU CB C 20 46.182 30.265 15.917 1
1 195 . 5 1 1 A 20 20 LEU N N 20 125.925 125.991 -0.066 1
1 196 . 5 1 1 A 21 21 VAL H H 21 8.827 8.430 0.397 1
1 197 . 5 1 1 A 21 21 VAL HA H 21 4.499 3.759 0.740 1
1 205 . 5 1 1 A 21 21 VAL C C 21 176.157 177.917 -1.760 1
1 206 . 5 1 1 A 21 21 VAL CA C 21 62.260 53.429 8.831 1
1 207 . 5 1 1 A 21 21 VAL CB C 21 31.627 18.563 13.064 1
1 210 . 5 1 1 A 21 21 VAL N N 21 127.297 127.526 -0.229 1
1 211 . 5 1 1 A 22 22 VAL H H 22 9.178 8.844 0.334 1
1 212 . 5 1 1 A 22 22 VAL HA H 22 4.348 4.322 0.026 1
1 220 . 5 1 1 A 22 22 VAL C C 22 175.253 174.441 0.812 1
1 221 . 5 1 1 A 22 22 VAL CA C 22 60.925 54.073 6.852 1
1 222 . 5 1 1 A 22 22 VAL CB C 22 34.352 37.642 -3.290 1
1 225 . 5 1 1 A 22 22 VAL N N 22 129.937 121.175 8.762 1
1 226 . 5 1 1 A 23 23 ARG H H 23 8.104 8.288 -0.184 1
1 235 . 5 1 1 A 23 23 ARG C C 23 174.950 173.272 1.678 1
1 236 . 5 1 1 A 23 23 ARG CA C 23 55.516 44.983 10.533 1
1 240 . 5 1 1 A 23 23 ARG N N 23 125.848 105.544 20.304 1
1 242 . 5 1 1 A 24 24 VAL H H 24 9.325 8.340 0.985 1
1 243 . 5 1 1 A 24 24 VAL HA H 24 5.011 4.272 0.739 1
1 251 . 5 1 1 A 24 24 VAL C C 24 175.449 176.765 -1.316 1
1 252 . 5 1 1 A 24 24 VAL CA C 24 61.634 55.946 5.688 1
1 253 . 5 1 1 A 24 24 VAL CB C 24 33.928 30.580 3.348 1
1 256 . 5 1 1 A 24 24 VAL N N 24 124.136 123.060 1.076 1
1 257 . 5 1 1 A 25 25 ASP H H 25 8.414 8.499 -0.085 1
1 258 . 5 1 1 A 25 25 ASP HA H 25 5.220 4.436 0.784 1
1 261 . 5 1 1 A 25 25 ASP C C 25 176.671 176.382 0.289 1
1 262 . 5 1 1 A 25 25 ASP CA C 25 52.956 55.901 -2.945 1
1 263 . 5 1 1 A 25 25 ASP CB C 25 43.473 29.739 13.734 1
1 264 . 5 1 1 A 25 25 ASP N N 25 126.172 120.298 5.874 1
1 265 . 5 1 1 A 26 26 HIS H H 26 9.152 8.536 0.616 1
1 266 . 5 1 1 A 26 26 HIS HA H 26 4.542 5.217 -0.675 1
1 271 . 5 1 1 A 26 26 HIS C C 26 174.917 175.852 -0.935 1
1 272 . 5 1 1 A 26 26 HIS CA C 26 56.700 55.836 0.864 1
1 273 . 5 1 1 A 26 26 HIS CB C 26 30.185 29.477 0.708 1
1 276 . 5 1 1 A 26 26 HIS N N 26 124.402 120.295 4.107 1
1 277 . 5 1 1 A 27 27 ALA H H 27 9.121 9.109 0.012 1
1 278 . 5 1 1 A 27 27 ALA HA H 27 3.984 4.896 -0.912 1
1 282 . 5 1 1 A 27 27 ALA C C 27 176.927 173.798 3.129 1
1 283 . 5 1 1 A 27 27 ALA CA C 27 53.240 61.888 -8.648 1
1 284 . 5 1 1 A 27 27 ALA CB C 27 17.122 70.427 -53.305 1
1 285 . 5 1 1 A 27 27 ALA N N 27 121.895 118.050 3.845 1
1 286 . 5 1 1 A 28 28 ASN H H 28 8.140 8.889 -0.749 1
1 287 . 5 1 1 A 28 28 ASN HA H 28 4.628 4.701 -0.073 1
1 292 . 5 1 1 A 28 28 ASN C C 28 176.389 175.574 0.815 1
1 293 . 5 1 1 A 28 28 ASN CA C 28 52.466 55.831 -3.365 1
1 294 . 5 1 1 A 28 28 ASN CB C 28 38.624 30.127 8.497 1
1 295 . 5 1 1 A 28 28 ASN N N 28 114.287 125.233 -10.946 1
1 297 . 5 1 1 A 29 29 GLY H H 29 8.254 9.390 -1.136 1
1 300 . 5 1 1 A 29 29 GLY C C 29 174.848 174.586 0.262 1
1 301 . 5 1 1 A 29 29 GLY CA C 29 45.354 59.968 -14.614 1
1 302 . 5 1 1 A 29 29 GLY N N 29 108.650 126.070 -17.420 1
1 303 . 5 1 1 A 30 30 GLU H H 30 7.860 8.980 -1.120 1
1 304 . 5 1 1 A 30 30 GLU HA H 30 4.267 4.931 -0.664 1
1 309 . 5 1 1 A 30 30 GLU C C 30 176.802 173.959 2.843 1
1 310 . 5 1 1 A 30 30 GLU CA C 30 56.348 62.302 -5.954 1
1 311 . 5 1 1 A 30 30 GLU CB C 30 30.460 69.295 -38.835 1
1 313 . 5 1 1 A 30 30 GLU N N 30 119.375 123.270 -3.895 1
1 314 . 5 1 1 A 31 31 GLN H H 31 8.280 9.215 -0.935 1
1 315 . 5 1 1 A 31 31 GLN HA H 31 4.222 5.095 -0.873 1
1 322 . 5 1 1 A 31 31 GLN C C 31 175.995 175.742 0.253 1
1 323 . 5 1 1 A 31 31 GLN CA C 31 55.917 53.000 2.917 1
1 324 . 5 1 1 A 31 31 GLN CB C 31 30.002 44.917 -14.915 1
1 326 . 5 1 1 A 31 31 GLN N N 31 120.036 127.810 -7.774 1
1 328 . 5 1 1 A 32 32 GLN H H 32 7.520 8.469 -0.949 1
1 329 . 5 1 1 A 32 32 GLN HA H 32 4.905 4.907 -0.002 1
1 336 . 5 1 1 A 32 32 GLN C C 32 176.112 175.268 0.844 1
1 337 . 5 1 1 A 32 32 GLN CA C 32 56.211 55.297 0.914 1
1 338 . 5 1 1 A 32 32 GLN CB C 32 30.863 30.715 0.148 1
1 340 . 5 1 1 A 32 32 GLN N N 32 123.146 122.016 1.130 1
1 342 . 5 1 1 A 33 33 THR H H 33 8.533 8.611 -0.078 1
1 343 . 5 1 1 A 33 33 THR HA H 33 4.621 4.715 -0.094 1
1 348 . 5 1 1 A 33 33 THR C C 33 173.112 173.942 -0.830 1
1 349 . 5 1 1 A 33 33 THR CA C 33 61.506 58.995 2.511 1
1 350 . 5 1 1 A 33 33 THR CB C 33 71.605 34.853 36.752 1
1 352 . 5 1 1 A 33 33 THR N N 33 118.233 120.163 -1.930 1
1 353 . 5 1 1 A 34 34 GLU H H 34 8.711 8.526 0.185 1
1 354 . 5 1 1 A 34 34 GLU HA H 34 4.939 5.029 -0.090 1
1 359 . 5 1 1 A 34 34 GLU C C 34 175.108 175.820 -0.712 1
1 360 . 5 1 1 A 34 34 GLU CA C 34 55.553 57.172 -1.619 1
1 361 . 5 1 1 A 34 34 GLU CB C 34 31.950 65.364 -33.414 1
1 363 . 5 1 1 A 34 34 GLU N N 34 124.692 119.837 4.855 1
1 364 . 5 1 1 A 35 35 ILE H H 35 9.115 9.038 0.077 1
1 375 . 5 1 1 A 35 35 ILE C C 35 174.282 174.825 -0.543 1
1 376 . 5 1 1 A 35 35 ILE CA C 35 59.057 47.064 11.993 1
1 381 . 5 1 1 A 35 35 ILE N N 35 127.113 112.868 14.245 1
1 382 . 5 1 1 A 36 36 THR H H 36 8.545 7.956 0.589 1
1 383 . 5 1 1 A 36 36 THR HA H 36 4.772 4.652 0.120 1
1 388 . 5 1 1 A 36 36 THR C C 36 174.054 176.325 -2.271 1
1 389 . 5 1 1 A 36 36 THR CA C 36 62.257 55.613 6.644 1
1 390 . 5 1 1 A 36 36 THR CB C 36 68.948 41.041 27.907 1
1 392 . 5 1 1 A 36 36 THR N N 36 123.057 118.921 4.136 1
1 393 . 5 1 1 A 37 37 LEU H H 37 9.161 7.203 1.958 1
1 394 . 5 1 1 A 37 37 LEU HA H 37 4.503 4.222 0.281 1
1 404 . 5 1 1 A 37 37 LEU C C 37 175.047 175.756 -0.709 1
1 405 . 5 1 1 A 37 37 LEU CA C 37 52.646 55.468 -2.822 1
1 406 . 5 1 1 A 37 37 LEU CB C 37 45.951 42.769 3.182 1
1 410 . 5 1 1 A 37 37 LEU N N 37 128.195 122.352 5.843 1
1 411 . 5 1 1 A 38 38 ARG H H 38 8.258 8.567 -0.309 1
1 412 . 5 1 1 A 38 38 ARG HA H 38 4.556 5.076 -0.520 1
1 420 . 5 1 1 A 38 38 ARG C C 38 175.726 176.562 -0.836 1
1 421 . 5 1 1 A 38 38 ARG CA C 38 55.701 54.591 1.110 1
1 422 . 5 1 1 A 38 38 ARG CB C 38 29.601 32.564 -2.963 1
1 425 . 5 1 1 A 38 38 ARG N N 38 122.992 120.816 2.176 1
1 427 . 5 1 1 A 39 39 VAL H H 39 8.635 8.987 -0.352 1
1 428 . 5 1 1 A 39 39 VAL HA H 39 4.358 3.583 0.775 1
1 436 . 5 1 1 A 39 39 VAL C C 39 172.241 178.780 -6.539 1
1 437 . 5 1 1 A 39 39 VAL CA C 39 58.334 65.190 -6.856 1
1 438 . 5 1 1 A 39 39 VAL CB C 39 35.214 37.736 -2.522 1
1 441 . 5 1 1 A 39 39 VAL N N 39 118.388 120.387 -1.999 1
1 442 . 5 1 1 A 40 40 SER H H 40 6.388 8.827 -2.439 1
1 446 . 5 1 1 A 40 40 SER C C 40 175.046 176.899 -1.853 1
1 447 . 5 1 1 A 40 40 SER CA C 40 56.216 47.354 8.862 1
1 449 . 5 1 1 A 40 40 SER N N 40 108.799 108.527 0.272 1
1 450 . 5 1 1 A 41 41 GLY H H 41 9.085 8.144 0.941 1
1 451 . 5 1 1 A 41 41 GLY HA2 H 41 3.850 3.339 0.511 1
1 452 . 5 1 1 A 41 41 GLY HA3 H 41 4.321 3.589 0.732 1
1 453 . 5 1 1 A 41 41 GLY C C 41 173.137 175.946 -2.809 1
1 454 . 5 1 1 A 41 41 GLY CA C 41 47.346 46.537 0.809 1
1 455 . 5 1 1 A 41 41 GLY N N 41 107.767 109.554 -1.787 1
1 456 . 5 1 1 A 42 42 ASP H H 42 7.994 7.499 0.495 1
1 457 . 5 1 1 A 42 42 ASP HA H 42 4.498 3.549 0.949 1
1 460 . 5 1 1 A 42 42 ASP C C 42 175.609 177.383 -1.774 1
1 461 . 5 1 1 A 42 42 ASP CA C 42 53.241 65.670 -12.429 1
1 462 . 5 1 1 A 42 42 ASP CB C 42 40.331 31.561 8.770 1
1 463 . 5 1 1 A 42 42 ASP N N 42 112.956 121.634 -8.678 1
1 464 . 5 1 1 A 43 43 LEU H H 43 7.431 7.870 -0.439 1
1 465 . 5 1 1 A 43 43 LEU HA H 43 4.210 3.270 0.940 1
1 475 . 5 1 1 A 43 43 LEU C C 43 175.552 178.213 -2.661 1
1 476 . 5 1 1 A 43 43 LEU CA C 43 55.199 58.705 -3.506 1
1 477 . 5 1 1 A 43 43 LEU CB C 43 42.398 32.702 9.696 1
1 481 . 5 1 1 A 43 43 LEU N N 43 123.293 117.485 5.808 1
1 482 . 5 1 1 A 44 44 HIS H H 44 8.405 7.743 0.662 1
1 483 . 5 1 1 A 44 44 HIS HA H 44 5.154 3.841 1.313 1
1 488 . 5 1 1 A 44 44 HIS C C 44 177.511 178.374 -0.863 1
1 489 . 5 1 1 A 44 44 HIS CA C 44 54.692 57.867 -3.175 1
1 490 . 5 1 1 A 44 44 HIS CB C 44 30.868 41.559 -10.691 1
1 493 . 5 1 1 A 44 44 HIS N N 44 121.975 121.030 0.945 1
1 494 . 5 1 1 A 45 45 ILE H H 45 8.628 7.680 0.948 1
1 495 . 5 1 1 A 45 45 ILE HA H 45 3.445 3.833 -0.388 1
1 505 . 5 1 1 A 45 45 ILE C C 45 179.116 179.116 0.000 1
1 506 . 5 1 1 A 45 45 ILE CA C 45 62.585 59.890 2.695 1
1 507 . 5 1 1 A 45 45 ILE CB C 45 35.492 32.091 3.401 1
1 511 . 5 1 1 A 45 45 ILE N N 45 124.304 118.699 5.605 1
1 512 . 5 1 1 A 46 46 GLY H H 46 9.792 7.799 1.993 1
1 515 . 5 1 1 A 46 46 GLY C C 46 175.742 178.853 -3.111 1
1 516 . 5 1 1 A 46 46 GLY CA C 46 46.812 57.947 -11.135 1
1 517 . 5 1 1 A 46 46 GLY N N 46 106.610 120.295 -13.685 1
1 518 . 5 1 1 A 47 47 GLY H H 47 6.761 7.797 -1.036 1
1 521 . 5 1 1 A 47 47 GLY C C 47 176.182 178.062 -1.880 1
1 522 . 5 1 1 A 47 47 GLY CA C 47 46.819 66.535 -19.716 1
1 523 . 5 1 1 A 47 47 GLY N N 47 109.580 118.530 -8.950 1
1 524 . 5 1 1 A 48 48 VAL H H 48 7.669 8.408 -0.739 1
1 525 . 5 1 1 A 48 48 VAL HA H 48 3.083 3.882 -0.799 1
1 533 . 5 1 1 A 48 48 VAL C C 48 176.849 178.517 -1.668 1
1 534 . 5 1 1 A 48 48 VAL CA C 48 66.775 59.669 7.106 1
1 535 . 5 1 1 A 48 48 VAL CB C 48 30.944 28.962 1.982 1
1 538 . 5 1 1 A 48 48 VAL N N 48 123.461 120.001 3.460 1
1 539 . 5 1 1 A 49 49 MET H H 49 7.632 8.338 -0.706 1
1 540 . 5 1 1 A 49 49 MET HA H 49 3.143 4.042 -0.899 1
1 548 . 5 1 1 A 49 49 MET C C 49 176.774 178.358 -1.584 1
1 549 . 5 1 1 A 49 49 MET CA C 49 59.972 58.508 1.464 1
1 550 . 5 1 1 A 49 49 MET CB C 49 33.142 28.542 4.600 1
1 553 . 5 1 1 A 49 49 MET N N 49 115.691 119.384 -3.693 1
1 554 . 5 1 1 A 50 50 LEU H H 50 7.535 7.730 -0.195 1
1 555 . 5 1 1 A 50 50 LEU HA H 50 3.821 4.372 -0.551 1
1 565 . 5 1 1 A 50 50 LEU C C 50 179.001 176.112 2.889 1
1 566 . 5 1 1 A 50 50 LEU CA C 50 57.910 59.189 -1.279 1
1 567 . 5 1 1 A 50 50 LEU CB C 50 41.821 32.264 9.557 1
1 571 . 5 1 1 A 50 50 LEU N N 50 117.445 117.998 -0.553 1
1 572 . 5 1 1 A 51 51 LYS H H 51 7.447 8.102 -0.655 1
1 573 . 5 1 1 A 51 51 LYS HA H 51 3.880 4.525 -0.645 1
1 582 . 5 1 1 A 51 51 LYS C C 51 178.975 174.113 4.862 1
1 583 . 5 1 1 A 51 51 LYS CA C 51 59.003 54.003 5.000 1
1 584 . 5 1 1 A 51 51 LYS CB C 51 32.890 36.950 -4.060 1
1 588 . 5 1 1 A 51 51 LYS N N 51 118.306 117.205 1.101 1
1 589 . 5 1 1 A 52 52 LEU H H 52 7.547 8.003 -0.456 1
1 590 . 5 1 1 A 52 52 LEU HA H 52 3.523 4.625 -1.102 1
1 600 . 5 1 1 A 52 52 LEU C C 52 177.676 174.967 2.709 1
1 601 . 5 1 1 A 52 52 LEU CA C 52 58.038 60.584 -2.546 1
1 602 . 5 1 1 A 52 52 LEU CB C 52 41.660 40.505 1.155 1
1 606 . 5 1 1 A 52 52 LEU N N 52 119.198 120.472 -1.274 1
1 607 . 5 1 1 A 53 53 VAL H H 53 7.368 8.917 -1.549 1
1 608 . 5 1 1 A 53 53 VAL HA H 53 2.469 4.647 -2.178 1
1 616 . 5 1 1 A 53 53 VAL C C 53 179.189 176.114 3.075 1
1 617 . 5 1 1 A 53 53 VAL CA C 53 66.706 51.756 14.950 1
1 618 . 5 1 1 A 53 53 VAL CB C 53 31.343 18.442 12.901 1
1 621 . 5 1 1 A 53 53 VAL N N 53 117.879 131.668 -13.789 1
1 622 . 5 1 1 A 54 54 GLU H H 54 7.966 8.279 -0.313 1
1 623 . 5 1 1 A 54 54 GLU HA H 54 3.865 4.940 -1.075 1
1 628 . 5 1 1 A 54 54 GLU C C 54 178.593 173.703 4.890 1
1 629 . 5 1 1 A 54 54 GLU CA C 54 58.935 53.599 5.336 1
1 630 . 5 1 1 A 54 54 GLU CB C 54 29.772 31.991 -2.219 1
1 632 . 5 1 1 A 54 54 GLU N N 54 119.295 119.397 -0.102 1
1 633 . 5 1 1 A 55 55 GLN H H 55 7.651 8.491 -0.840 1
1 634 . 5 1 1 A 55 55 GLN HA H 55 4.005 4.871 -0.866 1
1 641 . 5 1 1 A 55 55 GLN C C 55 177.512 175.200 2.312 1
1 642 . 5 1 1 A 55 55 GLN CA C 55 57.362 53.409 3.953 1
1 643 . 5 1 1 A 55 55 GLN CB C 55 28.938 41.065 -12.127 1
1 645 . 5 1 1 A 55 55 GLN N N 55 116.036 120.614 -4.578 1
1 647 . 5 1 1 A 56 56 MET H H 56 7.691 8.952 -1.261 1
1 648 . 5 1 1 A 56 56 MET HA H 56 4.316 4.920 -0.604 1
1 656 . 5 1 1 A 56 56 MET C C 56 176.572 175.724 0.848 1
1 657 . 5 1 1 A 56 56 MET CA C 56 56.492 55.968 0.524 1
1 658 . 5 1 1 A 56 56 MET CB C 56 32.901 27.406 5.495 1
1 661 . 5 1 1 A 56 56 MET N N 56 117.664 125.948 -8.284 1
1 662 . 5 1 1 A 57 57 ASN H H 57 7.816 8.286 -0.470 1
1 663 . 5 1 1 A 57 57 ASN HA H 57 4.495 4.505 -0.010 1
1 668 . 5 1 1 A 57 57 ASN C C 57 174.613 174.172 0.441 1
1 669 . 5 1 1 A 57 57 ASN CA C 57 53.813 58.645 -4.832 1
1 670 . 5 1 1 A 57 57 ASN CB C 57 37.713 63.363 -25.650 1
1 671 . 5 1 1 A 57 57 ASN N N 57 115.864 120.385 -4.521 1
1 673 . 5 1 1 A 58 58 ILE H H 58 8.391 8.905 -0.514 1
1 674 . 5 1 1 A 58 58 ILE HA H 58 4.284 4.138 0.146 1
1 684 . 5 1 1 A 58 58 ILE C C 58 175.277 174.467 0.810 1
1 685 . 5 1 1 A 58 58 ILE CA C 58 60.631 54.888 5.743 1
1 686 . 5 1 1 A 58 58 ILE CB C 58 41.470 39.483 1.987 1
1 690 . 5 1 1 A 58 58 ILE N N 58 117.760 124.079 -6.319 1
1 691 . 5 1 1 A 59 59 ALA H H 59 8.438 7.626 0.812 1
1 692 . 5 1 1 A 59 59 ALA HA H 59 4.535 5.562 -1.027 1
1 696 . 5 1 1 A 59 59 ALA C C 59 175.554 174.620 0.934 1
1 697 . 5 1 1 A 59 59 ALA CA C 59 51.604 55.318 -3.714 1
1 698 . 5 1 1 A 59 59 ALA CB C 59 17.256 41.839 -24.583 1
1 699 . 5 1 1 A 59 59 ALA N N 59 129.371 116.259 13.112 1
1 700 . 5 1 1 A 60 60 GLN H H 60 7.498 8.590 -1.092 1
1 701 . 5 1 1 A 60 60 GLN HA H 60 4.291 5.161 -0.870 1
1 708 . 5 1 1 A 60 60 GLN C C 60 172.908 176.388 -3.480 1
1 709 . 5 1 1 A 60 60 GLN CA C 60 53.492 51.588 1.904 1
1 710 . 5 1 1 A 60 60 GLN CB C 60 30.340 23.718 6.622 1
1 712 . 5 1 1 A 60 60 GLN N N 60 120.550 122.382 -1.832 1
1 714 . 5 1 1 A 61 61 ASP H H 61 8.086 8.816 -0.730 1
1 715 . 5 1 1 A 61 61 ASP HA H 61 4.622 5.333 -0.711 1
1 718 . 5 1 1 A 61 61 ASP C C 61 177.529 176.330 1.199 1
1 719 . 5 1 1 A 61 61 ASP CA C 61 53.520 54.261 -0.741 1
1 720 . 5 1 1 A 61 61 ASP CB C 61 40.493 43.531 -3.038 1
1 721 . 5 1 1 A 61 61 ASP N N 61 118.225 119.651 -1.426 1
1 722 . 5 1 1 A 62 62 TRP H H 62 8.999 9.647 -0.648 1
1 723 . 5 1 1 A 62 62 TRP HA H 62 4.578 5.319 -0.741 1
1 732 . 5 1 1 A 62 62 TRP C C 62 178.609 174.712 3.897 1
1 733 . 5 1 1 A 62 62 TRP CA C 62 57.200 54.494 2.706 1
1 734 . 5 1 1 A 62 62 TRP CB C 62 29.155 31.058 -1.903 1
1 740 . 5 1 1 A 62 62 TRP N N 62 129.134 126.286 2.848 1
1 742 . 5 1 1 A 63 63 SER H H 63 8.756 8.664 0.092 1
1 743 . 5 1 1 A 63 63 SER HA H 63 4.127 4.736 -0.609 1
1 746 . 5 1 1 A 63 63 SER C C 63 175.119 175.793 -0.674 1
1 747 . 5 1 1 A 63 63 SER CA C 63 62.933 55.889 7.044 1
1 748 . 5 1 1 A 63 63 SER CB C 63 63.120 29.544 33.576 1
1 749 . 5 1 1 A 63 63 SER N N 63 119.231 129.899 -10.668 1
1 750 . 5 1 1 A 64 64 ASP H H 64 9.095 8.789 0.306 1
1 751 . 5 1 1 A 64 64 ASP HA H 64 4.876 3.807 1.069 1
1 754 . 5 1 1 A 64 64 ASP C C 64 177.267 178.345 -1.078 1
1 755 . 5 1 1 A 64 64 ASP CA C 64 54.157 59.559 -5.402 1
1 756 . 5 1 1 A 64 64 ASP CB C 64 43.116 29.520 13.596 1
1 757 . 5 1 1 A 64 64 ASP N N 64 120.137 126.159 -6.022 1
1 758 . 5 1 1 A 65 65 TYR H H 65 7.991 8.373 -0.382 1
1 759 . 5 1 1 A 65 65 TYR HA H 65 4.151 4.091 0.060 1
1 766 . 5 1 1 A 65 65 TYR C C 65 175.746 176.819 -1.073 1
1 767 . 5 1 1 A 65 65 TYR CA C 65 59.053 58.092 0.961 1
1 768 . 5 1 1 A 65 65 TYR CB C 65 38.836 28.740 10.096 1
1 773 . 5 1 1 A 65 65 TYR N N 65 121.458 119.178 2.280 1
1 774 . 5 1 1 A 66 66 ALA H H 66 8.698 7.202 1.496 1
1 775 . 5 1 1 A 66 66 ALA HA H 66 4.794 4.088 0.706 1
1 779 . 5 1 1 A 66 66 ALA C C 66 175.126 175.310 -0.184 1
1 780 . 5 1 1 A 66 66 ALA CA C 66 51.166 55.215 -4.049 1
1 781 . 5 1 1 A 66 66 ALA CB C 66 23.771 33.491 -9.720 1
1 782 . 5 1 1 A 66 66 ALA N N 66 122.944 117.160 5.784 1
1 783 . 5 1 1 A 67 67 LEU H H 67 9.131 7.681 1.450 1
1 784 . 5 1 1 A 67 67 LEU HA H 67 5.498 2.930 2.568 1
1 794 . 5 1 1 A 67 67 LEU C C 67 174.489 174.375 0.114 1
1 795 . 5 1 1 A 67 67 LEU CA C 67 53.987 56.462 -2.475 1
1 796 . 5 1 1 A 67 67 LEU CB C 67 44.080 27.846 16.234 1
1 800 . 5 1 1 A 67 67 LEU N N 67 118.646 116.466 2.180 1
1 801 . 5 1 1 A 68 68 TRP H H 68 9.934 6.202 3.732 1
1 802 . 5 1 1 A 68 68 TRP HA H 68 4.680 4.862 -0.182 1
1 811 . 5 1 1 A 68 68 TRP C C 68 174.148 172.622 1.526 1
1 812 . 5 1 1 A 68 68 TRP CA C 68 55.276 57.104 -1.828 1
1 813 . 5 1 1 A 68 68 TRP CB C 68 30.222 30.718 -0.496 1
1 819 . 5 1 1 A 68 68 TRP N N 68 126.978 113.221 13.757 1
1 821 . 5 1 1 A 69 69 TRP H H 69 8.507 8.879 -0.372 1
1 822 . 5 1 1 A 69 69 TRP HA H 69 5.060 5.557 -0.497 1
1 831 . 5 1 1 A 69 69 TRP C C 69 175.837 176.128 -0.291 1
1 832 . 5 1 1 A 69 69 TRP CA C 69 52.520 56.296 -3.776 1
1 833 . 5 1 1 A 69 69 TRP CB C 69 30.500 31.365 -0.865 1
1 839 . 5 1 1 A 69 69 TRP N N 69 129.756 123.302 6.454 1
1 841 . 5 1 1 A 70 70 GLU H H 70 8.917 9.584 -0.667 1
1 842 . 5 1 1 A 70 70 GLU HA H 70 3.817 4.418 -0.601 1
1 847 . 5 1 1 A 70 70 GLU C C 70 179.449 176.891 2.558 1
1 848 . 5 1 1 A 70 70 GLU CA C 70 60.208 54.735 5.473 1
1 849 . 5 1 1 A 70 70 GLU CB C 70 29.937 41.093 -11.156 1
1 851 . 5 1 1 A 70 70 GLU N N 70 126.517 126.671 -0.154 1
1 852 . 5 1 1 A 71 71 GLN H H 71 8.515 8.490 0.025 1
1 853 . 5 1 1 A 71 71 GLN HA H 71 3.782 4.550 -0.768 1
1 860 . 5 1 1 A 71 71 GLN C C 71 177.266 177.322 -0.056 1
1 861 . 5 1 1 A 71 71 GLN CA C 71 61.006 54.350 6.656 1
1 862 . 5 1 1 A 71 71 GLN CB C 71 27.451 42.360 -14.909 1
1 864 . 5 1 1 A 71 71 GLN N N 71 114.822 125.968 -11.146 1
1 866 . 5 1 1 A 72 72 LYS H H 72 5.086 8.076 -2.990 1
1 867 . 5 1 1 A 72 72 LYS HA H 72 3.719 3.926 -0.207 1
1 876 . 5 1 1 A 72 72 LYS C C 72 174.268 176.966 -2.698 1
1 877 . 5 1 1 A 72 72 LYS CA C 72 53.864 55.932 -2.068 1
1 878 . 5 1 1 A 72 72 LYS CB C 72 33.242 30.663 2.579 1
1 882 . 5 1 1 A 72 72 LYS N N 72 112.499 117.784 -5.285 1
1 883 . 5 1 1 A 73 73 ARG H H 73 7.402 7.844 -0.442 1
1 884 . 5 1 1 A 73 73 ARG HA H 73 2.800 3.981 -1.181 1
1 892 . 5 1 1 A 73 73 ARG C C 73 173.935 175.263 -1.328 1
1 893 . 5 1 1 A 73 73 ARG CA C 73 56.187 65.441 -9.254 1
1 894 . 5 1 1 A 73 73 ARG CB C 73 26.602 68.404 -41.802 1
1 897 . 5 1 1 A 73 73 ARG N N 73 118.477 114.815 3.662 1
1 899 . 5 1 1 A 74 74 CYS H H 74 6.242 7.511 -1.269 1
1 900 . 5 1 1 A 74 74 CYS HA H 74 4.671 4.505 0.166 1
1 903 . 5 1 1 A 74 74 CYS C C 74 171.332 175.600 -4.268 1
1 904 . 5 1 1 A 74 74 CYS CA C 74 54.443 56.096 -1.653 1
1 905 . 5 1 1 A 74 74 CYS CB C 74 31.599 29.791 1.808 1
1 906 . 5 1 1 A 74 74 CYS N N 74 110.705 115.287 -4.582 1
1 907 . 5 1 1 A 75 75 TRP H H 75 8.567 7.491 1.076 1
1 908 . 5 1 1 A 75 75 TRP HA H 75 5.414 4.770 0.644 1
1 917 . 5 1 1 A 75 75 TRP C C 75 177.638 176.480 1.158 1
1 918 . 5 1 1 A 75 75 TRP CA C 75 55.720 56.621 -0.901 1
1 919 . 5 1 1 A 75 75 TRP CB C 75 30.966 30.636 0.330 1
1 925 . 5 1 1 A 75 75 TRP N N 75 120.876 121.881 -1.005 1
1 927 . 5 1 1 A 76 76 LEU H H 76 9.181 8.797 0.384 1
1 928 . 5 1 1 A 76 76 LEU HA H 76 4.737 5.030 -0.293 1
1 938 . 5 1 1 A 76 76 LEU C C 76 175.745 176.393 -0.648 1
1 939 . 5 1 1 A 76 76 LEU CA C 76 53.729 61.024 -7.295 1
1 940 . 5 1 1 A 76 76 LEU CB C 76 40.810 71.091 -30.281 1
1 944 . 5 1 1 A 76 76 LEU N N 76 125.488 116.230 9.258 1
1 945 . 5 1 1 A 77 77 LEU H H 77 7.711 9.323 -1.612 1
1 946 . 5 1 1 A 77 77 LEU HA H 77 4.416 4.057 0.359 1
1 956 . 5 1 1 A 77 77 LEU C C 77 178.257 178.809 -0.552 1
1 957 . 5 1 1 A 77 77 LEU CA C 77 54.539 58.112 -3.573 1
1 958 . 5 1 1 A 77 77 LEU CB C 77 42.566 41.590 0.976 1
1 962 . 5 1 1 A 77 77 LEU N N 77 119.493 123.191 -3.698 1
1 963 . 5 1 1 A 78 78 LYS H H 78 8.173 8.366 -0.193 1
1 964 . 5 1 1 A 78 78 LYS HA H 78 4.380 4.353 0.027 1
1 973 . 5 1 1 A 78 78 LYS C C 78 177.029 178.353 -1.324 1
1 974 . 5 1 1 A 78 78 LYS CA C 78 54.048 57.891 -3.843 1
1 975 . 5 1 1 A 78 78 LYS CB C 78 28.755 41.033 -12.278 1
1 979 . 5 1 1 A 78 78 LYS N N 78 121.730 119.764 1.966 1
1 980 . 5 1 1 A 79 79 THR H H 79 7.812 7.841 -0.029 1
1 981 . 5 1 1 A 79 79 THR HA H 79 3.677 4.057 -0.380 1
1 986 . 5 1 1 A 79 79 THR C C 79 175.193 178.802 -3.609 1
1 987 . 5 1 1 A 79 79 THR CA C 79 64.890 58.861 6.029 1
1 988 . 5 1 1 A 79 79 THR CB C 79 68.447 31.918 36.529 1
1 990 . 5 1 1 A 79 79 THR N N 79 114.142 118.653 -4.511 1
1 991 . 5 1 1 A 80 80 HIS H H 80 8.929 7.958 0.971 1
1 992 . 5 1 1 A 80 80 HIS HA H 80 4.759 4.708 0.051 1
1 995 . 5 1 1 A 80 80 HIS C C 80 175.622 175.105 0.517 1
1 996 . 5 1 1 A 80 80 HIS CA C 80 56.078 59.988 -3.910 1
1 997 . 5 1 1 A 80 80 HIS CB C 80 29.927 28.001 1.926 1
1 998 . 5 1 1 A 80 80 HIS N N 80 117.372 115.334 2.038 1
1 999 . 5 1 1 A 81 81 TRP H H 81 8.544 8.557 -0.013 1
1 1009 . 5 1 1 A 81 81 TRP C C 81 175.952 174.527 1.425 1
1 1010 . 5 1 1 A 81 81 TRP CA C 81 56.009 45.092 10.917 1
1 1017 . 5 1 1 A 81 81 TRP N N 81 122.512 108.819 13.693 1
1 1019 . 5 1 1 A 82 82 THR H H 82 7.587 7.912 -0.325 1
1 1020 . 5 1 1 A 82 82 THR HA H 82 4.725 3.998 0.727 1
1 1025 . 5 1 1 A 82 82 THR C C 82 176.305 174.741 1.564 1
1 1026 . 5 1 1 A 82 82 THR CA C 82 60.250 61.525 -1.275 1
1 1027 . 5 1 1 A 82 82 THR CB C 82 70.601 31.469 39.132 1
1 1029 . 5 1 1 A 82 82 THR N N 82 109.728 122.392 -12.664 1
1 1030 . 5 1 1 A 83 83 LEU H H 83 8.354 8.643 -0.289 1
1 1031 . 5 1 1 A 83 83 LEU HA H 83 3.798 4.080 -0.282 1
1 1040 . 5 1 1 A 83 83 LEU C C 83 179.461 176.617 2.844 1
1 1041 . 5 1 1 A 83 83 LEU CA C 83 59.442 53.716 5.726 1
1 1042 . 5 1 1 A 83 83 LEU CB C 83 40.758 31.090 9.668 1
1 1045 . 5 1 1 A 83 83 LEU N N 83 122.120 127.872 -5.752 1
1 1046 . 5 1 1 A 84 84 ASP H H 84 8.985 7.933 1.052 1
1 1047 . 5 1 1 A 84 84 ASP HA H 84 4.427 4.166 0.261 1
1 1050 . 5 1 1 A 84 84 ASP C C 84 179.464 177.552 1.912 1
1 1051 . 5 1 1 A 84 84 ASP CA C 84 57.459 53.993 3.466 1
1 1052 . 5 1 1 A 84 84 ASP CB C 84 40.243 18.511 21.732 1
1 1053 . 5 1 1 A 84 84 ASP N N 84 118.020 122.179 -4.159 1
1 1054 . 5 1 1 A 85 85 LYS H H 85 8.134 8.227 -0.093 1
1 1055 . 5 1 1 A 85 85 LYS HA H 85 3.820 4.651 -0.831 1
1 1064 . 5 1 1 A 85 85 LYS C C 85 178.824 176.070 2.754 1
1 1065 . 5 1 1 A 85 85 LYS CA C 85 59.103 53.563 5.540 1
1 1066 . 5 1 1 A 85 85 LYS CB C 85 32.229 40.209 -7.980 1
1 1070 . 5 1 1 A 85 85 LYS N N 85 123.380 115.598 7.782 1
1 1071 . 5 1 1 A 86 86 CYS H H 86 8.083 7.262 0.821 1
1 1072 . 5 1 1 A 86 86 CYS HA H 86 4.439 4.515 -0.076 1
1 1075 . 5 1 1 A 86 86 CYS C C 86 174.621 177.020 -2.399 1
1 1076 . 5 1 1 A 86 86 CYS CA C 86 61.800 50.853 10.947 1
1 1077 . 5 1 1 A 86 86 CYS CB C 86 28.700 20.386 8.314 1
1 1078 . 5 1 1 A 86 86 CYS N N 86 113.734 123.033 -9.299 1
1 1079 . 5 1 1 A 87 87 GLY H H 87 7.904 8.799 -0.895 1
1 1082 . 5 1 1 A 87 87 GLY C C 87 174.471 174.147 0.324 1
1 1083 . 5 1 1 A 87 87 GLY CA C 87 45.434 53.141 -7.707 1
1 1084 . 5 1 1 A 87 87 GLY N N 87 107.243 120.123 -12.880 1
1 1085 . 5 1 1 A 88 88 VAL H H 88 7.635 8.944 -1.309 1
1 1086 . 5 1 1 A 88 88 VAL HA H 88 3.165 5.246 -2.081 1
1 1094 . 5 1 1 A 88 88 VAL C C 88 173.926 174.024 -0.098 1
1 1095 . 5 1 1 A 88 88 VAL CA C 88 63.281 53.347 9.934 1
1 1096 . 5 1 1 A 88 88 VAL CB C 88 31.892 45.388 -13.496 1
1 1099 . 5 1 1 A 88 88 VAL N N 88 122.351 127.698 -5.347 1
1 1100 . 5 1 1 A 89 89 GLN H H 89 7.651 9.594 -1.943 1
1 1101 . 5 1 1 A 89 89 GLN HA H 89 3.946 5.336 -1.390 1
1 1108 . 5 1 1 A 89 89 GLN C C 89 175.629 174.749 0.880 1
1 1109 . 5 1 1 A 89 89 GLN CA C 89 53.861 52.899 0.962 1
1 1110 . 5 1 1 A 89 89 GLN CB C 89 31.010 45.462 -14.452 1
1 1112 . 5 1 1 A 89 89 GLN N N 89 125.820 128.856 -3.036 1
1 1114 . 5 1 1 A 90 90 ALA H H 90 7.025 9.438 -2.413 1
1 1115 . 5 1 1 A 90 90 ALA HA H 90 3.873 5.601 -1.728 1
1 1119 . 5 1 1 A 90 90 ALA C C 90 177.042 173.930 3.112 1
1 1120 . 5 1 1 A 90 90 ALA CA C 90 54.869 55.159 -0.290 1
1 1121 . 5 1 1 A 90 90 ALA CB C 90 18.818 41.765 -22.947 1
1 1122 . 5 1 1 A 90 90 ALA N N 90 118.713 127.610 -8.897 1
1 1123 . 5 1 1 A 91 91 ASP H H 91 8.310 8.618 -0.308 1
1 1124 . 5 1 1 A 91 91 ASP HA H 91 4.415 4.859 -0.444 1
1 1127 . 5 1 1 A 91 91 ASP C C 91 176.371 171.816 4.555 1
1 1128 . 5 1 1 A 91 91 ASP CA C 91 53.133 58.189 -5.056 1
1 1129 . 5 1 1 A 91 91 ASP CB C 91 39.673 72.723 -33.050 1
1 1130 . 5 1 1 A 91 91 ASP N N 91 113.050 121.519 -8.469 1
1 1132 . 5 1 1 A 92 92 ALA HA H 92 4.237 4.931 -0.694 1
1 1136 . 5 1 1 A 92 92 ALA C C 92 176.536 176.870 -0.334 1
1 1137 . 5 1 1 A 92 92 ALA CA C 92 53.721 63.318 -9.597 1
1 1138 . 5 1 1 A 92 92 ALA CB C 92 19.774 32.259 -12.485 1
1 1139 . 5 1 1 A 92 92 ALA N N 92 124.114 140.791 -16.677 1
1 1140 . 5 1 1 A 93 93 ASN H H 93 9.478 8.651 0.827 1
1 1141 . 5 1 1 A 93 93 ASN HA H 93 5.141 3.551 1.590 1
1 1146 . 5 1 1 A 93 93 ASN C C 93 173.906 176.193 -2.287 1
1 1147 . 5 1 1 A 93 93 ASN CA C 93 52.433 55.386 -2.953 1
1 1148 . 5 1 1 A 93 93 ASN CB C 93 38.547 27.326 11.221 1
1 1149 . 5 1 1 A 93 93 ASN N N 93 123.235 119.849 3.386 1
1 1151 . 5 1 1 A 94 94 LEU H H 94 8.675 8.818 -0.143 1
1 1152 . 5 1 1 A 94 94 LEU HA H 94 5.429 4.735 0.694 1
1 1162 . 5 1 1 A 94 94 LEU C C 94 175.486 174.879 0.607 1
1 1163 . 5 1 1 A 94 94 LEU CA C 94 53.003 55.822 -2.819 1
1 1164 . 5 1 1 A 94 94 LEU CB C 94 44.739 29.964 14.775 1
1 1168 . 5 1 1 A 94 94 LEU N N 94 122.901 119.035 3.866 1
1 1169 . 5 1 1 A 95 95 LEU H H 95 9.412 7.473 1.939 1
1 1170 . 5 1 1 A 95 95 LEU HA H 95 5.388 4.096 1.292 1
1 1180 . 5 1 1 A 95 95 LEU C C 95 174.403 174.815 -0.412 1
1 1181 . 5 1 1 A 95 95 LEU CA C 95 53.155 57.597 -4.442 1
1 1182 . 5 1 1 A 95 95 LEU CB C 95 46.432 31.349 15.083 1
1 1186 . 5 1 1 A 95 95 LEU N N 95 126.034 114.322 11.712 1
1 3 . 6 1 1 A 1 1 GLY C C 1 173.950 176.094 -2.144 1
1 4 . 6 1 1 A 1 1 GLY CA C 1 45.289 55.832 -10.543 1
1 5 . 6 1 1 A 2 2 ILE H H 2 8.026 7.955 0.071 1
1 6 . 6 1 1 A 2 2 ILE HA H 2 4.518 4.038 0.480 1
1 16 . 6 1 1 A 2 2 ILE CA C 2 54.315 58.005 -3.690 1
1 17 . 6 1 1 A 2 2 ILE CB C 2 41.381 41.749 -0.368 1
1 21 . 6 1 1 A 2 2 ILE N N 2 120.237 124.937 -4.700 1
1 22 . 6 1 1 A 3 3 ASP H H 3 8.212 8.065 0.147 1
1 25 . 6 1 1 A 3 3 ASP CB C 3 41.116 61.258 -20.142 1
1 26 . 6 1 1 A 3 3 ASP N N 3 126.816 113.570 13.246 1
1 27 . 6 1 1 A 4 4 PRO HA H 4 3.818 4.319 -0.501 1
1 28 . 6 1 1 A 4 4 PRO C C 4 176.930 174.347 2.583 1
1 29 . 6 1 1 A 4 4 PRO CA C 4 63.589 59.852 3.737 1
1 30 . 6 1 1 A 5 5 PHE H H 5 8.214 7.842 0.372 1
1 33 . 6 1 1 A 5 5 PHE C C 5 176.204 174.877 1.327 1
1 34 . 6 1 1 A 5 5 PHE CA C 5 58.089 44.628 13.461 1
1 36 . 6 1 1 A 5 5 PHE N N 5 118.317 109.263 9.054 1
1 37 . 6 1 1 A 6 6 THR H H 6 7.789 8.700 -0.911 1
1 38 . 6 1 1 A 6 6 THR HA H 6 4.268 4.635 -0.367 1
1 43 . 6 1 1 A 6 6 THR C C 6 174.096 176.812 -2.716 1
1 44 . 6 1 1 A 6 6 THR CA C 6 62.228 54.757 7.471 1
1 45 . 6 1 1 A 6 6 THR CB C 6 69.842 42.134 27.708 1
1 47 . 6 1 1 A 6 6 THR N N 6 114.242 122.824 -8.582 1
1 48 . 6 1 1 A 7 7 MET H H 7 8.077 7.908 0.169 1
1 49 . 6 1 1 A 7 7 MET HA H 7 4.721 4.001 0.720 1
1 50 . 6 1 1 A 7 7 MET CA C 7 55.836 57.639 -1.803 1
1 51 . 6 1 1 A 7 7 MET N N 7 121.684 116.914 4.770 1
1 52 . 6 1 1 A 8 8 LEU H H 8 8.043 8.661 -0.618 1
1 53 . 6 1 1 A 8 8 LEU HA H 8 4.322 4.514 -0.192 1
1 60 . 6 1 1 A 8 8 LEU CA C 8 55.142 61.587 -6.445 1
1 63 . 6 1 1 A 8 8 LEU N N 8 122.622 113.274 9.348 1
1 64 . 6 1 1 A 9 9 SER H H 9 8.263 8.014 0.249 1
1 65 . 6 1 1 A 9 9 SER HA H 9 4.318 4.785 -0.467 1
1 68 . 6 1 1 A 9 9 SER CA C 9 58.256 58.107 0.149 1
1 69 . 6 1 1 A 9 9 SER CB C 9 63.851 64.569 -0.718 1
1 70 . 6 1 1 A 9 9 SER N N 9 116.455 116.718 -0.263 1
1 71 . 6 1 1 A 10 10 SER H H 10 8.268 7.389 0.879 1
1 72 . 6 1 1 A 10 10 SER HA H 10 4.418 4.472 -0.054 1
1 75 . 6 1 1 A 10 10 SER C C 10 175.142 175.521 -0.379 1
1 76 . 6 1 1 A 10 10 SER CA C 10 58.684 51.401 7.283 1
1 77 . 6 1 1 A 10 10 SER CB C 10 63.935 21.632 42.303 1
1 78 . 6 1 1 A 10 10 SER N N 10 117.758 121.908 -4.150 1
1 79 . 6 1 1 A 11 11 GLY H H 11 8.300 8.572 -0.272 1
1 82 . 6 1 1 A 11 11 GLY C C 11 176.844 174.282 2.562 1
1 83 . 6 1 1 A 11 11 GLY CA C 11 45.340 58.223 -12.883 1
1 84 . 6 1 1 A 11 11 GLY N N 11 110.621 114.648 -4.027 1
1 85 . 6 1 1 A 12 12 ASP H H 12 8.095 7.993 0.102 1
1 86 . 6 1 1 A 12 12 ASP HA H 12 4.520 4.919 -0.399 1
1 89 . 6 1 1 A 12 12 ASP C C 12 176.422 176.261 0.161 1
1 90 . 6 1 1 A 12 12 ASP CA C 12 54.331 56.598 -2.267 1
1 91 . 6 1 1 A 12 12 ASP CB C 12 41.101 30.348 10.753 1
1 92 . 6 1 1 A 12 12 ASP N N 12 120.276 126.955 -6.679 1
1 93 . 6 1 1 A 13 13 LEU H H 13 8.259 8.757 -0.498 1
1 94 . 6 1 1 A 13 13 LEU HA H 13 4.326 4.657 -0.331 1
1 104 . 6 1 1 A 13 13 LEU C C 13 177.829 175.415 2.414 1
1 105 . 6 1 1 A 13 13 LEU CA C 13 55.426 56.599 -1.173 1
1 106 . 6 1 1 A 13 13 LEU CB C 13 42.043 30.161 11.882 1
1 110 . 6 1 1 A 13 13 LEU N N 13 122.645 121.852 0.793 1
1 111 . 6 1 1 A 14 14 THR H H 14 8.134 9.404 -1.270 1
1 112 . 6 1 1 A 14 14 THR HA H 14 4.265 5.093 -0.828 1
1 117 . 6 1 1 A 14 14 THR C C 14 174.821 174.992 -0.171 1
1 118 . 6 1 1 A 14 14 THR CA C 14 62.228 53.873 8.355 1
1 119 . 6 1 1 A 14 14 THR CB C 14 69.762 43.937 25.825 1
1 121 . 6 1 1 A 14 14 THR N N 14 114.338 127.881 -13.543 1
1 122 . 6 1 1 A 15 15 SER H H 15 8.181 8.830 -0.649 1
1 123 . 6 1 1 A 15 15 SER HA H 15 4.429 4.871 -0.442 1
1 126 . 6 1 1 A 15 15 SER C C 15 174.213 174.172 0.041 1
1 127 . 6 1 1 A 15 15 SER CA C 15 58.321 61.467 -3.146 1
1 128 . 6 1 1 A 15 15 SER CB C 15 63.826 32.546 31.280 1
1 129 . 6 1 1 A 15 15 SER N N 15 117.846 127.336 -9.490 1
1 130 . 6 1 1 A 16 16 ALA H H 16 8.284 9.619 -1.335 1
1 131 . 6 1 1 A 16 16 ALA HA H 16 4.395 4.789 -0.394 1
1 135 . 6 1 1 A 16 16 ALA C C 16 177.160 174.214 2.946 1
1 136 . 6 1 1 A 16 16 ALA CA C 16 52.623 61.014 -8.391 1
1 137 . 6 1 1 A 16 16 ALA CB C 16 19.390 34.196 -14.806 1
1 138 . 6 1 1 A 16 16 ALA N N 16 126.207 130.376 -4.169 1
1 139 . 6 1 1 A 17 17 SER H H 17 8.035 8.887 -0.852 1
1 140 . 6 1 1 A 17 17 SER HA H 17 4.891 5.159 -0.268 1
1 143 . 6 1 1 A 17 17 SER C C 17 173.472 175.113 -1.641 1
1 144 . 6 1 1 A 17 17 SER CA C 17 57.547 55.283 2.264 1
1 145 . 6 1 1 A 17 17 SER CB C 17 65.420 31.810 33.610 1
1 146 . 6 1 1 A 17 17 SER N N 17 114.521 128.755 -14.234 1
1 147 . 6 1 1 A 18 18 TRP H H 18 8.523 9.337 -0.814 1
1 148 . 6 1 1 A 18 18 TRP HA H 18 4.787 4.747 0.040 1
1 157 . 6 1 1 A 18 18 TRP C C 18 173.910 174.727 -0.817 1
1 158 . 6 1 1 A 18 18 TRP CA C 18 55.331 62.427 -7.096 1
1 159 . 6 1 1 A 18 18 TRP CB C 18 30.044 32.305 -2.261 1
1 165 . 6 1 1 A 18 18 TRP N N 18 120.348 127.910 -7.562 1
1 167 . 6 1 1 A 19 19 GLU H H 19 8.542 9.552 -1.010 1
1 168 . 6 1 1 A 19 19 GLU HA H 19 4.957 5.153 -0.196 1
1 173 . 6 1 1 A 19 19 GLU C C 19 175.089 174.946 0.143 1
1 174 . 6 1 1 A 19 19 GLU CA C 19 55.735 52.769 2.966 1
1 175 . 6 1 1 A 19 19 GLU CB C 19 31.683 42.943 -11.260 1
1 177 . 6 1 1 A 19 19 GLU N N 19 117.964 128.748 -10.784 1
1 178 . 6 1 1 A 20 20 LEU H H 20 8.813 9.042 -0.229 1
1 179 . 6 1 1 A 20 20 LEU HA H 20 4.794 5.138 -0.344 1
1 189 . 6 1 1 A 20 20 LEU C C 20 174.656 174.501 0.155 1
1 190 . 6 1 1 A 20 20 LEU CA C 20 53.195 54.720 -1.525 1
1 191 . 6 1 1 A 20 20 LEU CB C 20 46.182 29.926 16.256 1
1 195 . 6 1 1 A 20 20 LEU N N 20 125.925 125.973 -0.048 1
1 196 . 6 1 1 A 21 21 VAL H H 21 8.827 8.789 0.038 1
1 197 . 6 1 1 A 21 21 VAL HA H 21 4.499 4.256 0.243 1
1 205 . 6 1 1 A 21 21 VAL C C 21 176.157 177.329 -1.172 1
1 206 . 6 1 1 A 21 21 VAL CA C 21 62.260 52.218 10.042 1
1 207 . 6 1 1 A 21 21 VAL CB C 21 31.627 18.201 13.426 1
1 210 . 6 1 1 A 21 21 VAL N N 21 127.297 128.878 -1.581 1
1 211 . 6 1 1 A 22 22 VAL H H 22 9.178 8.759 0.419 1
1 212 . 6 1 1 A 22 22 VAL HA H 22 4.348 4.959 -0.611 1
1 220 . 6 1 1 A 22 22 VAL C C 22 175.253 175.884 -0.631 1
1 221 . 6 1 1 A 22 22 VAL CA C 22 60.925 54.247 6.678 1
1 222 . 6 1 1 A 22 22 VAL CB C 22 34.352 41.290 -6.938 1
1 225 . 6 1 1 A 22 22 VAL N N 22 129.937 124.071 5.866 1
1 226 . 6 1 1 A 23 23 ARG H H 23 8.104 8.017 0.087 1
1 235 . 6 1 1 A 23 23 ARG C C 23 174.950 173.760 1.190 1
1 236 . 6 1 1 A 23 23 ARG CA C 23 55.516 45.454 10.062 1
1 240 . 6 1 1 A 23 23 ARG N N 23 125.848 107.322 18.526 1
1 242 . 6 1 1 A 24 24 VAL H H 24 9.325 7.886 1.439 1
1 243 . 6 1 1 A 24 24 VAL HA H 24 5.011 4.866 0.145 1
1 251 . 6 1 1 A 24 24 VAL C C 24 175.449 175.246 0.203 1
1 252 . 6 1 1 A 24 24 VAL CA C 24 61.634 54.399 7.235 1
1 253 . 6 1 1 A 24 24 VAL CB C 24 33.928 32.308 1.620 1
1 256 . 6 1 1 A 24 24 VAL N N 24 124.136 116.045 8.091 1
1 257 . 6 1 1 A 25 25 ASP H H 25 8.414 8.188 0.226 1
1 258 . 6 1 1 A 25 25 ASP HA H 25 5.220 4.171 1.049 1
1 261 . 6 1 1 A 25 25 ASP C C 25 176.671 175.374 1.297 1
1 262 . 6 1 1 A 25 25 ASP CA C 25 52.956 55.739 -2.783 1
1 263 . 6 1 1 A 25 25 ASP CB C 25 43.473 28.889 14.584 1
1 264 . 6 1 1 A 25 25 ASP N N 25 126.172 119.478 6.694 1
1 265 . 6 1 1 A 26 26 HIS H H 26 9.152 8.546 0.606 1
1 266 . 6 1 1 A 26 26 HIS HA H 26 4.542 4.973 -0.431 1
1 271 . 6 1 1 A 26 26 HIS C C 26 174.917 175.262 -0.345 1
1 272 . 6 1 1 A 26 26 HIS CA C 26 56.700 55.514 1.186 1
1 273 . 6 1 1 A 26 26 HIS CB C 26 30.185 30.453 -0.268 1
1 276 . 6 1 1 A 26 26 HIS N N 26 124.402 122.127 2.275 1
1 277 . 6 1 1 A 27 27 ALA H H 27 9.121 8.758 0.363 1
1 278 . 6 1 1 A 27 27 ALA HA H 27 3.984 4.868 -0.884 1
1 282 . 6 1 1 A 27 27 ALA C C 27 176.927 173.705 3.222 1
1 283 . 6 1 1 A 27 27 ALA CA C 27 53.240 61.769 -8.529 1
1 284 . 6 1 1 A 27 27 ALA CB C 27 17.122 71.128 -54.006 1
1 285 . 6 1 1 A 27 27 ALA N N 27 121.895 117.131 4.764 1
1 286 . 6 1 1 A 28 28 ASN H H 28 8.140 8.951 -0.811 1
1 287 . 6 1 1 A 28 28 ASN HA H 28 4.628 4.706 -0.078 1
1 292 . 6 1 1 A 28 28 ASN C C 28 176.389 175.214 1.175 1
1 293 . 6 1 1 A 28 28 ASN CA C 28 52.466 55.768 -3.302 1
1 294 . 6 1 1 A 28 28 ASN CB C 28 38.624 30.002 8.622 1
1 295 . 6 1 1 A 28 28 ASN N N 28 114.287 126.089 -11.802 1
1 297 . 6 1 1 A 29 29 GLY H H 29 8.254 9.198 -0.944 1
1 300 . 6 1 1 A 29 29 GLY C C 29 174.848 175.036 -0.188 1
1 301 . 6 1 1 A 29 29 GLY CA C 29 45.354 60.000 -14.646 1
1 302 . 6 1 1 A 29 29 GLY N N 29 108.650 126.337 -17.687 1
1 303 . 6 1 1 A 30 30 GLU H H 30 7.860 9.050 -1.190 1
1 304 . 6 1 1 A 30 30 GLU HA H 30 4.267 4.908 -0.641 1
1 309 . 6 1 1 A 30 30 GLU C C 30 176.802 174.086 2.716 1
1 310 . 6 1 1 A 30 30 GLU CA C 30 56.348 61.997 -5.649 1
1 311 . 6 1 1 A 30 30 GLU CB C 30 30.460 69.281 -38.821 1
1 313 . 6 1 1 A 30 30 GLU N N 30 119.375 123.259 -3.884 1
1 314 . 6 1 1 A 31 31 GLN H H 31 8.280 9.208 -0.928 1
1 315 . 6 1 1 A 31 31 GLN HA H 31 4.222 5.013 -0.791 1
1 322 . 6 1 1 A 31 31 GLN C C 31 175.995 175.627 0.368 1
1 323 . 6 1 1 A 31 31 GLN CA C 31 55.917 52.870 3.047 1
1 324 . 6 1 1 A 31 31 GLN CB C 31 30.002 43.989 -13.987 1
1 326 . 6 1 1 A 31 31 GLN N N 31 120.036 127.471 -7.435 1
1 328 . 6 1 1 A 32 32 GLN H H 32 7.520 8.594 -1.074 1
1 329 . 6 1 1 A 32 32 GLN HA H 32 4.905 4.813 0.092 1
1 336 . 6 1 1 A 32 32 GLN C C 32 176.112 175.690 0.422 1
1 337 . 6 1 1 A 32 32 GLN CA C 32 56.211 55.537 0.674 1
1 338 . 6 1 1 A 32 32 GLN CB C 32 30.863 30.848 0.015 1
1 340 . 6 1 1 A 32 32 GLN N N 32 123.146 124.328 -1.182 1
1 342 . 6 1 1 A 33 33 THR H H 33 8.533 8.465 0.068 1
1 343 . 6 1 1 A 33 33 THR HA H 33 4.621 4.598 0.023 1
1 348 . 6 1 1 A 33 33 THR C C 33 173.112 173.948 -0.836 1
1 349 . 6 1 1 A 33 33 THR CA C 33 61.506 58.624 2.882 1
1 350 . 6 1 1 A 33 33 THR CB C 33 71.605 34.846 36.759 1
1 352 . 6 1 1 A 33 33 THR N N 33 118.233 117.833 0.400 1
1 353 . 6 1 1 A 34 34 GLU H H 34 8.711 8.681 0.030 1
1 354 . 6 1 1 A 34 34 GLU HA H 34 4.939 4.567 0.372 1
1 359 . 6 1 1 A 34 34 GLU C C 34 175.108 176.067 -0.959 1
1 360 . 6 1 1 A 34 34 GLU CA C 34 55.553 57.696 -2.143 1
1 361 . 6 1 1 A 34 34 GLU CB C 34 31.950 64.221 -32.271 1
1 363 . 6 1 1 A 34 34 GLU N N 34 124.692 121.073 3.619 1
1 364 . 6 1 1 A 35 35 ILE H H 35 9.115 8.910 0.205 1
1 375 . 6 1 1 A 35 35 ILE C C 35 174.282 174.481 -0.199 1
1 376 . 6 1 1 A 35 35 ILE CA C 35 59.057 47.439 11.618 1
1 381 . 6 1 1 A 35 35 ILE N N 35 127.113 112.362 14.751 1
1 382 . 6 1 1 A 36 36 THR H H 36 8.545 7.921 0.624 1
1 383 . 6 1 1 A 36 36 THR HA H 36 4.772 4.743 0.029 1
1 388 . 6 1 1 A 36 36 THR C C 36 174.054 175.786 -1.732 1
1 389 . 6 1 1 A 36 36 THR CA C 36 62.257 54.335 7.922 1
1 390 . 6 1 1 A 36 36 THR CB C 36 68.948 41.220 27.728 1
1 392 . 6 1 1 A 36 36 THR N N 36 123.057 118.767 4.290 1
1 393 . 6 1 1 A 37 37 LEU H H 37 9.161 7.424 1.737 1
1 394 . 6 1 1 A 37 37 LEU HA H 37 4.503 4.539 -0.036 1
1 404 . 6 1 1 A 37 37 LEU C C 37 175.047 176.103 -1.056 1
1 405 . 6 1 1 A 37 37 LEU CA C 37 52.646 54.127 -1.481 1
1 406 . 6 1 1 A 37 37 LEU CB C 37 45.951 43.288 2.663 1
1 410 . 6 1 1 A 37 37 LEU N N 37 128.195 122.789 5.406 1
1 411 . 6 1 1 A 38 38 ARG H H 38 8.258 8.758 -0.500 1
1 412 . 6 1 1 A 38 38 ARG HA H 38 4.556 5.127 -0.571 1
1 420 . 6 1 1 A 38 38 ARG C C 38 175.726 176.519 -0.793 1
1 421 . 6 1 1 A 38 38 ARG CA C 38 55.701 55.281 0.420 1
1 422 . 6 1 1 A 38 38 ARG CB C 38 29.601 31.202 -1.601 1
1 425 . 6 1 1 A 38 38 ARG N N 38 122.992 121.275 1.717 1
1 427 . 6 1 1 A 39 39 VAL H H 39 8.635 9.357 -0.722 1
1 428 . 6 1 1 A 39 39 VAL HA H 39 4.358 3.566 0.792 1
1 436 . 6 1 1 A 39 39 VAL C C 39 172.241 178.578 -6.337 1
1 437 . 6 1 1 A 39 39 VAL CA C 39 58.334 65.188 -6.854 1
1 438 . 6 1 1 A 39 39 VAL CB C 39 35.214 37.888 -2.674 1
1 441 . 6 1 1 A 39 39 VAL N N 39 118.388 120.909 -2.521 1
1 442 . 6 1 1 A 40 40 SER H H 40 6.388 8.484 -2.096 1
1 446 . 6 1 1 A 40 40 SER C C 40 175.046 176.929 -1.883 1
1 447 . 6 1 1 A 40 40 SER CA C 40 56.216 47.301 8.915 1
1 449 . 6 1 1 A 40 40 SER N N 40 108.799 108.414 0.385 1
1 450 . 6 1 1 A 41 41 GLY H H 41 9.085 7.926 1.159 1
1 451 . 6 1 1 A 41 41 GLY HA2 H 41 3.850 3.332 0.518 1
1 452 . 6 1 1 A 41 41 GLY HA3 H 41 4.321 3.680 0.641 1
1 453 . 6 1 1 A 41 41 GLY C C 41 173.137 175.871 -2.734 1
1 454 . 6 1 1 A 41 41 GLY CA C 41 47.346 46.638 0.708 1
1 455 . 6 1 1 A 41 41 GLY N N 41 107.767 109.638 -1.871 1
1 456 . 6 1 1 A 42 42 ASP H H 42 7.994 7.678 0.316 1
1 457 . 6 1 1 A 42 42 ASP HA H 42 4.498 3.581 0.917 1
1 460 . 6 1 1 A 42 42 ASP C C 42 175.609 177.690 -2.081 1
1 461 . 6 1 1 A 42 42 ASP CA C 42 53.241 65.624 -12.383 1
1 462 . 6 1 1 A 42 42 ASP CB C 42 40.331 31.534 8.797 1
1 463 . 6 1 1 A 42 42 ASP N N 42 112.956 121.723 -8.767 1
1 464 . 6 1 1 A 43 43 LEU H H 43 7.431 8.316 -0.885 1
1 465 . 6 1 1 A 43 43 LEU HA H 43 4.210 3.849 0.361 1
1 475 . 6 1 1 A 43 43 LEU C C 43 175.552 178.408 -2.856 1
1 476 . 6 1 1 A 43 43 LEU CA C 43 55.199 59.025 -3.826 1
1 477 . 6 1 1 A 43 43 LEU CB C 43 42.398 33.019 9.379 1
1 481 . 6 1 1 A 43 43 LEU N N 43 123.293 117.610 5.683 1
1 482 . 6 1 1 A 44 44 HIS H H 44 8.405 7.631 0.774 1
1 483 . 6 1 1 A 44 44 HIS HA H 44 5.154 4.085 1.069 1
1 488 . 6 1 1 A 44 44 HIS C C 44 177.511 178.771 -1.260 1
1 489 . 6 1 1 A 44 44 HIS CA C 44 54.692 57.698 -3.006 1
1 490 . 6 1 1 A 44 44 HIS CB C 44 30.868 41.921 -11.053 1
1 493 . 6 1 1 A 44 44 HIS N N 44 121.975 120.733 1.242 1
1 494 . 6 1 1 A 45 45 ILE H H 45 8.628 7.525 1.103 1
1 495 . 6 1 1 A 45 45 ILE HA H 45 3.445 3.881 -0.436 1
1 505 . 6 1 1 A 45 45 ILE C C 45 179.116 178.747 0.369 1
1 506 . 6 1 1 A 45 45 ILE CA C 45 62.585 59.419 3.166 1
1 507 . 6 1 1 A 45 45 ILE CB C 45 35.492 31.826 3.666 1
1 511 . 6 1 1 A 45 45 ILE N N 45 124.304 119.260 5.044 1
1 512 . 6 1 1 A 46 46 GLY H H 46 9.792 7.501 2.291 1
1 515 . 6 1 1 A 46 46 GLY C C 46 175.742 178.567 -2.825 1
1 516 . 6 1 1 A 46 46 GLY CA C 46 46.812 57.881 -11.069 1
1 517 . 6 1 1 A 46 46 GLY N N 46 106.610 120.038 -13.428 1
1 518 . 6 1 1 A 47 47 GLY H H 47 6.761 7.356 -0.595 1
1 521 . 6 1 1 A 47 47 GLY C C 47 176.182 178.187 -2.005 1
1 522 . 6 1 1 A 47 47 GLY CA C 47 46.819 66.439 -19.620 1
1 523 . 6 1 1 A 47 47 GLY N N 47 109.580 117.454 -7.874 1
1 524 . 6 1 1 A 48 48 VAL H H 48 7.669 8.022 -0.353 1
1 525 . 6 1 1 A 48 48 VAL HA H 48 3.083 3.924 -0.841 1
1 533 . 6 1 1 A 48 48 VAL C C 48 176.849 178.941 -2.092 1
1 534 . 6 1 1 A 48 48 VAL CA C 48 66.775 58.950 7.825 1
1 535 . 6 1 1 A 48 48 VAL CB C 48 30.944 29.166 1.778 1
1 538 . 6 1 1 A 48 48 VAL N N 48 123.461 120.008 3.453 1
1 539 . 6 1 1 A 49 49 MET H H 49 7.632 7.618 0.014 1
1 540 . 6 1 1 A 49 49 MET HA H 49 3.143 4.022 -0.879 1
1 548 . 6 1 1 A 49 49 MET C C 49 176.774 178.937 -2.163 1
1 549 . 6 1 1 A 49 49 MET CA C 49 59.972 59.076 0.896 1
1 550 . 6 1 1 A 49 49 MET CB C 49 33.142 28.461 4.681 1
1 553 . 6 1 1 A 49 49 MET N N 49 115.691 118.963 -3.272 1
1 554 . 6 1 1 A 50 50 LEU H H 50 7.535 7.529 0.006 1
1 555 . 6 1 1 A 50 50 LEU HA H 50 3.821 4.257 -0.436 1
1 565 . 6 1 1 A 50 50 LEU C C 50 179.001 176.328 2.673 1
1 566 . 6 1 1 A 50 50 LEU CA C 50 57.910 59.040 -1.130 1
1 567 . 6 1 1 A 50 50 LEU CB C 50 41.821 32.714 9.107 1
1 571 . 6 1 1 A 50 50 LEU N N 50 117.445 118.156 -0.711 1
1 572 . 6 1 1 A 51 51 LYS H H 51 7.447 8.409 -0.962 1
1 573 . 6 1 1 A 51 51 LYS HA H 51 3.880 4.390 -0.510 1
1 582 . 6 1 1 A 51 51 LYS C C 51 178.975 174.178 4.797 1
1 583 . 6 1 1 A 51 51 LYS CA C 51 59.003 54.086 4.917 1
1 584 . 6 1 1 A 51 51 LYS CB C 51 32.890 37.102 -4.212 1
1 588 . 6 1 1 A 51 51 LYS N N 51 118.306 117.174 1.132 1
1 589 . 6 1 1 A 52 52 LEU H H 52 7.547 8.197 -0.650 1
1 590 . 6 1 1 A 52 52 LEU HA H 52 3.523 4.225 -0.702 1
1 600 . 6 1 1 A 52 52 LEU C C 52 177.676 175.909 1.767 1
1 601 . 6 1 1 A 52 52 LEU CA C 52 58.038 61.728 -3.690 1
1 602 . 6 1 1 A 52 52 LEU CB C 52 41.660 38.025 3.635 1
1 606 . 6 1 1 A 52 52 LEU N N 52 119.198 119.911 -0.713 1
1 607 . 6 1 1 A 53 53 VAL H H 53 7.368 8.496 -1.128 1
1 608 . 6 1 1 A 53 53 VAL HA H 53 2.469 4.490 -2.021 1
1 616 . 6 1 1 A 53 53 VAL C C 53 179.189 176.077 3.112 1
1 617 . 6 1 1 A 53 53 VAL CA C 53 66.706 51.950 14.756 1
1 618 . 6 1 1 A 53 53 VAL CB C 53 31.343 17.755 13.588 1
1 621 . 6 1 1 A 53 53 VAL N N 53 117.879 131.308 -13.429 1
1 622 . 6 1 1 A 54 54 GLU H H 54 7.966 8.199 -0.233 1
1 623 . 6 1 1 A 54 54 GLU HA H 54 3.865 4.746 -0.881 1
1 628 . 6 1 1 A 54 54 GLU C C 54 178.593 173.745 4.848 1
1 629 . 6 1 1 A 54 54 GLU CA C 54 58.935 54.166 4.769 1
1 630 . 6 1 1 A 54 54 GLU CB C 54 29.772 31.788 -2.016 1
1 632 . 6 1 1 A 54 54 GLU N N 54 119.295 119.425 -0.130 1
1 633 . 6 1 1 A 55 55 GLN H H 55 7.651 8.478 -0.827 1
1 634 . 6 1 1 A 55 55 GLN HA H 55 4.005 4.614 -0.609 1
1 641 . 6 1 1 A 55 55 GLN C C 55 177.512 175.633 1.879 1
1 642 . 6 1 1 A 55 55 GLN CA C 55 57.362 54.550 2.812 1
1 643 . 6 1 1 A 55 55 GLN CB C 55 28.938 40.783 -11.845 1
1 645 . 6 1 1 A 55 55 GLN N N 55 116.036 119.732 -3.696 1
1 647 . 6 1 1 A 56 56 MET H H 56 7.691 8.628 -0.937 1
1 648 . 6 1 1 A 56 56 MET HA H 56 4.316 4.779 -0.463 1
1 656 . 6 1 1 A 56 56 MET C C 56 176.572 176.764 -0.192 1
1 657 . 6 1 1 A 56 56 MET CA C 56 56.492 56.732 -0.240 1
1 658 . 6 1 1 A 56 56 MET CB C 56 32.901 28.694 4.207 1
1 661 . 6 1 1 A 56 56 MET N N 56 117.664 125.900 -8.236 1
1 662 . 6 1 1 A 57 57 ASN H H 57 7.816 7.824 -0.008 1
1 663 . 6 1 1 A 57 57 ASN HA H 57 4.495 4.332 0.163 1
1 668 . 6 1 1 A 57 57 ASN C C 57 174.613 174.790 -0.177 1
1 669 . 6 1 1 A 57 57 ASN CA C 57 53.813 61.540 -7.727 1
1 670 . 6 1 1 A 57 57 ASN CB C 57 37.713 63.390 -25.677 1
1 671 . 6 1 1 A 57 57 ASN N N 57 115.864 116.691 -0.827 1
1 673 . 6 1 1 A 58 58 ILE H H 58 8.391 7.751 0.640 1
1 674 . 6 1 1 A 58 58 ILE HA H 58 4.284 5.142 -0.858 1
1 684 . 6 1 1 A 58 58 ILE C C 58 175.277 174.698 0.579 1
1 685 . 6 1 1 A 58 58 ILE CA C 58 60.631 53.383 7.248 1
1 686 . 6 1 1 A 58 58 ILE CB C 58 41.470 41.798 -0.328 1
1 690 . 6 1 1 A 58 58 ILE N N 58 117.760 120.624 -2.864 1
1 691 . 6 1 1 A 59 59 ALA H H 59 8.438 8.702 -0.264 1
1 692 . 6 1 1 A 59 59 ALA HA H 59 4.535 5.252 -0.717 1
1 696 . 6 1 1 A 59 59 ALA C C 59 175.554 173.504 2.050 1
1 697 . 6 1 1 A 59 59 ALA CA C 59 51.604 56.515 -4.911 1
1 698 . 6 1 1 A 59 59 ALA CB C 59 17.256 41.591 -24.335 1
1 699 . 6 1 1 A 59 59 ALA N N 59 129.371 122.099 7.272 1
1 700 . 6 1 1 A 60 60 GLN H H 60 7.498 8.532 -1.034 1
1 701 . 6 1 1 A 60 60 GLN HA H 60 4.291 4.870 -0.579 1
1 708 . 6 1 1 A 60 60 GLN C C 60 172.908 175.857 -2.949 1
1 709 . 6 1 1 A 60 60 GLN CA C 60 53.492 51.285 2.207 1
1 710 . 6 1 1 A 60 60 GLN CB C 60 30.340 23.199 7.141 1
1 712 . 6 1 1 A 60 60 GLN N N 60 120.550 121.497 -0.947 1
1 714 . 6 1 1 A 61 61 ASP H H 61 8.086 8.796 -0.710 1
1 715 . 6 1 1 A 61 61 ASP HA H 61 4.622 5.150 -0.528 1
1 718 . 6 1 1 A 61 61 ASP C C 61 177.529 175.724 1.805 1
1 719 . 6 1 1 A 61 61 ASP CA C 61 53.520 54.011 -0.491 1
1 720 . 6 1 1 A 61 61 ASP CB C 61 40.493 42.924 -2.431 1
1 721 . 6 1 1 A 61 61 ASP N N 61 118.225 119.196 -0.971 1
1 722 . 6 1 1 A 62 62 TRP H H 62 8.999 9.515 -0.516 1
1 723 . 6 1 1 A 62 62 TRP HA H 62 4.578 4.906 -0.328 1
1 732 . 6 1 1 A 62 62 TRP C C 62 178.609 174.649 3.960 1
1 733 . 6 1 1 A 62 62 TRP CA C 62 57.200 54.730 2.470 1
1 734 . 6 1 1 A 62 62 TRP CB C 62 29.155 30.671 -1.516 1
1 740 . 6 1 1 A 62 62 TRP N N 62 129.134 126.587 2.547 1
1 742 . 6 1 1 A 63 63 SER H H 63 8.756 8.879 -0.123 1
1 743 . 6 1 1 A 63 63 SER HA H 63 4.127 4.628 -0.501 1
1 746 . 6 1 1 A 63 63 SER C C 63 175.119 175.506 -0.387 1
1 747 . 6 1 1 A 63 63 SER CA C 63 62.933 55.744 7.189 1
1 748 . 6 1 1 A 63 63 SER CB C 63 63.120 29.368 33.752 1
1 749 . 6 1 1 A 63 63 SER N N 63 119.231 130.001 -10.770 1
1 750 . 6 1 1 A 64 64 ASP H H 64 9.095 8.738 0.357 1
1 751 . 6 1 1 A 64 64 ASP HA H 64 4.876 3.435 1.441 1
1 754 . 6 1 1 A 64 64 ASP C C 64 177.267 178.025 -0.758 1
1 755 . 6 1 1 A 64 64 ASP CA C 64 54.157 59.101 -4.944 1
1 756 . 6 1 1 A 64 64 ASP CB C 64 43.116 29.498 13.618 1
1 757 . 6 1 1 A 64 64 ASP N N 64 120.137 126.281 -6.144 1
1 758 . 6 1 1 A 65 65 TYR H H 65 7.991 8.041 -0.050 1
1 759 . 6 1 1 A 65 65 TYR HA H 65 4.151 4.000 0.151 1
1 766 . 6 1 1 A 65 65 TYR C C 65 175.746 177.315 -1.569 1
1 767 . 6 1 1 A 65 65 TYR CA C 65 59.053 58.354 0.699 1
1 768 . 6 1 1 A 65 65 TYR CB C 65 38.836 28.533 10.303 1
1 773 . 6 1 1 A 65 65 TYR N N 65 121.458 119.487 1.971 1
1 774 . 6 1 1 A 66 66 ALA H H 66 8.698 7.001 1.697 1
1 775 . 6 1 1 A 66 66 ALA HA H 66 4.794 4.020 0.774 1
1 779 . 6 1 1 A 66 66 ALA C C 66 175.126 175.283 -0.157 1
1 780 . 6 1 1 A 66 66 ALA CA C 66 51.166 55.612 -4.446 1
1 781 . 6 1 1 A 66 66 ALA CB C 66 23.771 31.913 -8.142 1
1 782 . 6 1 1 A 66 66 ALA N N 66 122.944 116.333 6.611 1
1 783 . 6 1 1 A 67 67 LEU H H 67 9.131 7.122 2.009 1
1 784 . 6 1 1 A 67 67 LEU HA H 67 5.498 3.082 2.416 1
1 794 . 6 1 1 A 67 67 LEU C C 67 174.489 174.262 0.227 1
1 795 . 6 1 1 A 67 67 LEU CA C 67 53.987 56.566 -2.579 1
1 796 . 6 1 1 A 67 67 LEU CB C 67 44.080 27.317 16.763 1
1 800 . 6 1 1 A 67 67 LEU N N 67 118.646 115.678 2.968 1
1 801 . 6 1 1 A 68 68 TRP H H 68 9.934 6.671 3.263 1
1 802 . 6 1 1 A 68 68 TRP HA H 68 4.680 5.095 -0.415 1
1 811 . 6 1 1 A 68 68 TRP C C 68 174.148 172.594 1.554 1
1 812 . 6 1 1 A 68 68 TRP CA C 68 55.276 56.922 -1.646 1
1 813 . 6 1 1 A 68 68 TRP CB C 68 30.222 30.560 -0.338 1
1 819 . 6 1 1 A 68 68 TRP N N 68 126.978 113.044 13.934 1
1 821 . 6 1 1 A 69 69 TRP H H 69 8.507 9.074 -0.567 1
1 822 . 6 1 1 A 69 69 TRP HA H 69 5.060 5.582 -0.522 1
1 831 . 6 1 1 A 69 69 TRP C C 69 175.837 176.008 -0.171 1
1 832 . 6 1 1 A 69 69 TRP CA C 69 52.520 56.281 -3.761 1
1 833 . 6 1 1 A 69 69 TRP CB C 69 30.500 31.086 -0.586 1
1 839 . 6 1 1 A 69 69 TRP N N 69 129.756 123.849 5.907 1
1 841 . 6 1 1 A 70 70 GLU H H 70 8.917 9.557 -0.640 1
1 842 . 6 1 1 A 70 70 GLU HA H 70 3.817 4.567 -0.750 1
1 847 . 6 1 1 A 70 70 GLU C C 70 179.449 176.944 2.505 1
1 848 . 6 1 1 A 70 70 GLU CA C 70 60.208 54.507 5.701 1
1 849 . 6 1 1 A 70 70 GLU CB C 70 29.937 41.133 -11.196 1
1 851 . 6 1 1 A 70 70 GLU N N 70 126.517 126.099 0.418 1
1 852 . 6 1 1 A 71 71 GLN H H 71 8.515 8.542 -0.027 1
1 853 . 6 1 1 A 71 71 GLN HA H 71 3.782 4.637 -0.855 1
1 860 . 6 1 1 A 71 71 GLN C C 71 177.266 176.923 0.343 1
1 861 . 6 1 1 A 71 71 GLN CA C 71 61.006 54.140 6.866 1
1 862 . 6 1 1 A 71 71 GLN CB C 71 27.451 42.972 -15.521 1
1 864 . 6 1 1 A 71 71 GLN N N 71 114.822 125.872 -11.050 1
1 866 . 6 1 1 A 72 72 LYS H H 72 5.086 7.320 -2.234 1
1 867 . 6 1 1 A 72 72 LYS HA H 72 3.719 4.344 -0.625 1
1 876 . 6 1 1 A 72 72 LYS C C 72 174.268 177.432 -3.164 1
1 877 . 6 1 1 A 72 72 LYS CA C 72 53.864 54.539 -0.675 1
1 878 . 6 1 1 A 72 72 LYS CB C 72 33.242 29.578 3.664 1
1 882 . 6 1 1 A 72 72 LYS N N 72 112.499 119.939 -7.440 1
1 883 . 6 1 1 A 73 73 ARG H H 73 7.402 8.039 -0.637 1
1 884 . 6 1 1 A 73 73 ARG HA H 73 2.800 4.176 -1.376 1
1 892 . 6 1 1 A 73 73 ARG C C 73 173.935 176.518 -2.583 1
1 893 . 6 1 1 A 73 73 ARG CA C 73 56.187 64.733 -8.546 1
1 894 . 6 1 1 A 73 73 ARG CB C 73 26.602 68.830 -42.228 1
1 897 . 6 1 1 A 73 73 ARG N N 73 118.477 114.866 3.611 1
1 899 . 6 1 1 A 74 74 CYS H H 74 6.242 7.958 -1.716 1
1 900 . 6 1 1 A 74 74 CYS HA H 74 4.671 4.367 0.304 1
1 903 . 6 1 1 A 74 74 CYS C C 74 171.332 175.851 -4.519 1
1 904 . 6 1 1 A 74 74 CYS CA C 74 54.443 58.107 -3.664 1
1 905 . 6 1 1 A 74 74 CYS CB C 74 31.599 30.609 0.990 1
1 906 . 6 1 1 A 74 74 CYS N N 74 110.705 121.455 -10.750 1
1 907 . 6 1 1 A 75 75 TRP H H 75 8.567 7.682 0.885 1
1 908 . 6 1 1 A 75 75 TRP HA H 75 5.414 4.620 0.794 1
1 917 . 6 1 1 A 75 75 TRP C C 75 177.638 176.413 1.225 1
1 918 . 6 1 1 A 75 75 TRP CA C 75 55.720 57.310 -1.590 1
1 919 . 6 1 1 A 75 75 TRP CB C 75 30.966 30.129 0.837 1
1 925 . 6 1 1 A 75 75 TRP N N 75 120.876 118.965 1.911 1
1 927 . 6 1 1 A 76 76 LEU H H 76 9.181 8.699 0.482 1
1 928 . 6 1 1 A 76 76 LEU HA H 76 4.737 5.091 -0.354 1
1 938 . 6 1 1 A 76 76 LEU C C 76 175.745 176.440 -0.695 1
1 939 . 6 1 1 A 76 76 LEU CA C 76 53.729 60.214 -6.485 1
1 940 . 6 1 1 A 76 76 LEU CB C 76 40.810 71.824 -31.014 1
1 944 . 6 1 1 A 76 76 LEU N N 76 125.488 114.696 10.792 1
1 945 . 6 1 1 A 77 77 LEU H H 77 7.711 8.714 -1.003 1
1 946 . 6 1 1 A 77 77 LEU HA H 77 4.416 4.055 0.361 1
1 956 . 6 1 1 A 77 77 LEU C C 77 178.257 178.804 -0.547 1
1 957 . 6 1 1 A 77 77 LEU CA C 77 54.539 58.172 -3.633 1
1 958 . 6 1 1 A 77 77 LEU CB C 77 42.566 41.662 0.904 1
1 962 . 6 1 1 A 77 77 LEU N N 77 119.493 122.577 -3.084 1
1 963 . 6 1 1 A 78 78 LYS H H 78 8.173 8.626 -0.453 1
1 964 . 6 1 1 A 78 78 LYS HA H 78 4.380 4.327 0.053 1
1 973 . 6 1 1 A 78 78 LYS C C 78 177.029 178.414 -1.385 1
1 974 . 6 1 1 A 78 78 LYS CA C 78 54.048 57.912 -3.864 1
1 975 . 6 1 1 A 78 78 LYS CB C 78 28.755 41.088 -12.333 1
1 979 . 6 1 1 A 78 78 LYS N N 78 121.730 119.885 1.845 1
1 980 . 6 1 1 A 79 79 THR H H 79 7.812 7.973 -0.161 1
1 981 . 6 1 1 A 79 79 THR HA H 79 3.677 3.956 -0.279 1
1 986 . 6 1 1 A 79 79 THR C C 79 175.193 178.753 -3.560 1
1 987 . 6 1 1 A 79 79 THR CA C 79 64.890 59.083 5.807 1
1 988 . 6 1 1 A 79 79 THR CB C 79 68.447 32.154 36.293 1
1 990 . 6 1 1 A 79 79 THR N N 79 114.142 118.705 -4.563 1
1 991 . 6 1 1 A 80 80 HIS H H 80 8.929 7.939 0.990 1
1 992 . 6 1 1 A 80 80 HIS HA H 80 4.759 4.750 0.009 1
1 995 . 6 1 1 A 80 80 HIS C C 80 175.622 175.472 0.150 1
1 996 . 6 1 1 A 80 80 HIS CA C 80 56.078 59.952 -3.874 1
1 997 . 6 1 1 A 80 80 HIS CB C 80 29.927 27.962 1.965 1
1 998 . 6 1 1 A 80 80 HIS N N 80 117.372 115.913 1.459 1
1 999 . 6 1 1 A 81 81 TRP H H 81 8.544 8.533 0.011 1
1 1009 . 6 1 1 A 81 81 TRP C C 81 175.952 174.379 1.573 1
1 1010 . 6 1 1 A 81 81 TRP CA C 81 56.009 45.838 10.171 1
1 1017 . 6 1 1 A 81 81 TRP N N 81 122.512 108.875 13.637 1
1 1019 . 6 1 1 A 82 82 THR H H 82 7.587 7.476 0.111 1
1 1020 . 6 1 1 A 82 82 THR HA H 82 4.725 4.242 0.483 1
1 1025 . 6 1 1 A 82 82 THR C C 82 176.305 174.198 2.107 1
1 1026 . 6 1 1 A 82 82 THR CA C 82 60.250 60.550 -0.300 1
1 1027 . 6 1 1 A 82 82 THR CB C 82 70.601 32.416 38.185 1
1 1029 . 6 1 1 A 82 82 THR N N 82 109.728 121.570 -11.842 1
1 1030 . 6 1 1 A 83 83 LEU H H 83 8.354 8.691 -0.337 1
1 1031 . 6 1 1 A 83 83 LEU HA H 83 3.798 4.086 -0.288 1
1 1040 . 6 1 1 A 83 83 LEU C C 83 179.461 176.777 2.684 1
1 1041 . 6 1 1 A 83 83 LEU CA C 83 59.442 53.657 5.785 1
1 1042 . 6 1 1 A 83 83 LEU CB C 83 40.758 30.786 9.972 1
1 1045 . 6 1 1 A 83 83 LEU N N 83 122.120 127.172 -5.052 1
1 1046 . 6 1 1 A 84 84 ASP H H 84 8.985 8.395 0.590 1
1 1047 . 6 1 1 A 84 84 ASP HA H 84 4.427 4.121 0.306 1
1 1050 . 6 1 1 A 84 84 ASP C C 84 179.464 177.970 1.494 1
1 1051 . 6 1 1 A 84 84 ASP CA C 84 57.459 54.801 2.658 1
1 1052 . 6 1 1 A 84 84 ASP CB C 84 40.243 18.434 21.809 1
1 1053 . 6 1 1 A 84 84 ASP N N 84 118.020 123.177 -5.157 1
1 1054 . 6 1 1 A 85 85 LYS H H 85 8.134 7.828 0.306 1
1 1055 . 6 1 1 A 85 85 LYS HA H 85 3.820 4.673 -0.853 1
1 1064 . 6 1 1 A 85 85 LYS C C 85 178.824 174.960 3.864 1
1 1065 . 6 1 1 A 85 85 LYS CA C 85 59.103 54.700 4.403 1
1 1066 . 6 1 1 A 85 85 LYS CB C 85 32.229 41.339 -9.110 1
1 1070 . 6 1 1 A 85 85 LYS N N 85 123.380 115.805 7.575 1
1 1071 . 6 1 1 A 86 86 CYS H H 86 8.083 7.180 0.903 1
1 1072 . 6 1 1 A 86 86 CYS HA H 86 4.439 4.778 -0.339 1
1 1075 . 6 1 1 A 86 86 CYS C C 86 174.621 176.922 -2.301 1
1 1076 . 6 1 1 A 86 86 CYS CA C 86 61.800 50.321 11.479 1
1 1077 . 6 1 1 A 86 86 CYS CB C 86 28.700 20.750 7.950 1
1 1078 . 6 1 1 A 86 86 CYS N N 86 113.734 122.786 -9.052 1
1 1079 . 6 1 1 A 87 87 GLY H H 87 7.904 8.916 -1.012 1
1 1082 . 6 1 1 A 87 87 GLY C C 87 174.471 174.112 0.359 1
1 1083 . 6 1 1 A 87 87 GLY CA C 87 45.434 53.225 -7.791 1
1 1084 . 6 1 1 A 87 87 GLY N N 87 107.243 120.340 -13.097 1
1 1085 . 6 1 1 A 88 88 VAL H H 88 7.635 8.549 -0.914 1
1 1086 . 6 1 1 A 88 88 VAL HA H 88 3.165 5.066 -1.901 1
1 1094 . 6 1 1 A 88 88 VAL C C 88 173.926 174.590 -0.664 1
1 1095 . 6 1 1 A 88 88 VAL CA C 88 63.281 53.468 9.813 1
1 1096 . 6 1 1 A 88 88 VAL CB C 88 31.892 44.740 -12.848 1
1 1099 . 6 1 1 A 88 88 VAL N N 88 122.351 126.601 -4.250 1
1 1100 . 6 1 1 A 89 89 GLN H H 89 7.651 9.359 -1.708 1
1 1101 . 6 1 1 A 89 89 GLN HA H 89 3.946 5.513 -1.567 1
1 1108 . 6 1 1 A 89 89 GLN C C 89 175.629 175.012 0.617 1
1 1109 . 6 1 1 A 89 89 GLN CA C 89 53.861 53.036 0.825 1
1 1110 . 6 1 1 A 89 89 GLN CB C 89 31.010 45.437 -14.427 1
1 1112 . 6 1 1 A 89 89 GLN N N 89 125.820 129.261 -3.441 1
1 1114 . 6 1 1 A 90 90 ALA H H 90 7.025 9.578 -2.553 1
1 1115 . 6 1 1 A 90 90 ALA HA H 90 3.873 5.389 -1.516 1
1 1119 . 6 1 1 A 90 90 ALA C C 90 177.042 174.401 2.641 1
1 1120 . 6 1 1 A 90 90 ALA CA C 90 54.869 56.057 -1.188 1
1 1121 . 6 1 1 A 90 90 ALA CB C 90 18.818 41.098 -22.280 1
1 1122 . 6 1 1 A 90 90 ALA N N 90 118.713 127.969 -9.256 1
1 1123 . 6 1 1 A 91 91 ASP H H 91 8.310 8.552 -0.242 1
1 1124 . 6 1 1 A 91 91 ASP HA H 91 4.415 4.857 -0.442 1
1 1127 . 6 1 1 A 91 91 ASP C C 91 176.371 171.791 4.580 1
1 1128 . 6 1 1 A 91 91 ASP CA C 91 53.133 58.176 -5.043 1
1 1129 . 6 1 1 A 91 91 ASP CB C 91 39.673 72.760 -33.087 1
1 1130 . 6 1 1 A 91 91 ASP N N 91 113.050 121.277 -8.227 1
1 1132 . 6 1 1 A 92 92 ALA HA H 92 4.237 4.559 -0.322 1
1 1136 . 6 1 1 A 92 92 ALA C C 92 176.536 176.407 0.129 1
1 1137 . 6 1 1 A 92 92 ALA CA C 92 53.721 62.964 -9.243 1
1 1138 . 6 1 1 A 92 92 ALA CB C 92 19.774 32.350 -12.576 1
1 1139 . 6 1 1 A 92 92 ALA N N 92 124.114 140.938 -16.824 1
1 1140 . 6 1 1 A 93 93 ASN H H 93 9.478 7.877 1.601 1
1 1141 . 6 1 1 A 93 93 ASN HA H 93 5.141 3.780 1.361 1
1 1146 . 6 1 1 A 93 93 ASN C C 93 173.906 174.460 -0.554 1
1 1147 . 6 1 1 A 93 93 ASN CA C 93 52.433 55.131 -2.698 1
1 1148 . 6 1 1 A 93 93 ASN CB C 93 38.547 27.959 10.588 1
1 1149 . 6 1 1 A 93 93 ASN N N 93 123.235 118.081 5.154 1
1 1151 . 6 1 1 A 94 94 LEU H H 94 8.675 8.068 0.607 1
1 1152 . 6 1 1 A 94 94 LEU HA H 94 5.429 4.668 0.761 1
1 1162 . 6 1 1 A 94 94 LEU C C 94 175.486 174.623 0.863 1
1 1163 . 6 1 1 A 94 94 LEU CA C 94 53.003 54.280 -1.277 1
1 1164 . 6 1 1 A 94 94 LEU CB C 94 44.739 32.929 11.810 1
1 1168 . 6 1 1 A 94 94 LEU N N 94 122.901 118.069 4.832 1
1 1169 . 6 1 1 A 95 95 LEU H H 95 9.412 8.757 0.655 1
1 1170 . 6 1 1 A 95 95 LEU HA H 95 5.388 3.752 1.636 1
1 1180 . 6 1 1 A 95 95 LEU C C 95 174.403 175.528 -1.125 1
1 1181 . 6 1 1 A 95 95 LEU CA C 95 53.155 57.107 -3.952 1
1 1182 . 6 1 1 A 95 95 LEU CB C 95 46.432 30.652 15.780 1
1 1186 . 6 1 1 A 95 95 LEU N N 95 126.034 117.658 8.376 1
1 3 . 7 1 1 A 1 1 GLY C C 1 173.950 176.102 -2.152 1
1 4 . 7 1 1 A 1 1 GLY CA C 1 45.289 54.687 -9.398 1
1 5 . 7 1 1 A 2 2 ILE H H 2 8.026 8.688 -0.662 1
1 6 . 7 1 1 A 2 2 ILE HA H 2 4.518 3.937 0.581 1
1 16 . 7 1 1 A 2 2 ILE CA C 2 54.315 56.370 -2.055 1
1 17 . 7 1 1 A 2 2 ILE CB C 2 41.381 40.782 0.599 1
1 21 . 7 1 1 A 2 2 ILE N N 2 120.237 118.914 1.323 1
1 22 . 7 1 1 A 3 3 ASP H H 3 8.212 7.868 0.344 1
1 25 . 7 1 1 A 3 3 ASP CB C 3 41.116 62.984 -21.868 1
1 26 . 7 1 1 A 3 3 ASP N N 3 126.816 113.696 13.120 1
1 27 . 7 1 1 A 4 4 PRO HA H 4 3.818 4.745 -0.927 1
1 28 . 7 1 1 A 4 4 PRO C C 4 176.930 174.556 2.374 1
1 29 . 7 1 1 A 4 4 PRO CA C 4 63.589 57.130 6.459 1
1 30 . 7 1 1 A 5 5 PHE H H 5 8.214 7.925 0.289 1
1 33 . 7 1 1 A 5 5 PHE C C 5 176.204 174.853 1.351 1
1 34 . 7 1 1 A 5 5 PHE CA C 5 58.089 46.650 11.439 1
1 36 . 7 1 1 A 5 5 PHE N N 5 118.317 109.981 8.336 1
1 37 . 7 1 1 A 6 6 THR H H 6 7.789 8.288 -0.499 1
1 38 . 7 1 1 A 6 6 THR HA H 6 4.268 4.463 -0.195 1
1 43 . 7 1 1 A 6 6 THR C C 6 174.096 176.382 -2.286 1
1 44 . 7 1 1 A 6 6 THR CA C 6 62.228 55.675 6.553 1
1 45 . 7 1 1 A 6 6 THR CB C 6 69.842 41.429 28.413 1
1 47 . 7 1 1 A 6 6 THR N N 6 114.242 117.317 -3.075 1
1 48 . 7 1 1 A 7 7 MET H H 7 8.077 7.529 0.548 1
1 49 . 7 1 1 A 7 7 MET HA H 7 4.721 4.966 -0.245 1
1 50 . 7 1 1 A 7 7 MET CA C 7 55.836 52.738 3.098 1
1 51 . 7 1 1 A 7 7 MET N N 7 121.684 115.302 6.382 1
1 52 . 7 1 1 A 8 8 LEU H H 8 8.043 8.573 -0.530 1
1 53 . 7 1 1 A 8 8 LEU HA H 8 4.322 4.569 -0.247 1
1 60 . 7 1 1 A 8 8 LEU CA C 8 55.142 61.158 -6.016 1
1 63 . 7 1 1 A 8 8 LEU N N 8 122.622 117.657 4.965 1
1 64 . 7 1 1 A 9 9 SER H H 9 8.263 8.190 0.073 1
1 65 . 7 1 1 A 9 9 SER HA H 9 4.318 4.088 0.230 1
1 68 . 7 1 1 A 9 9 SER CA C 9 58.256 61.146 -2.890 1
1 69 . 7 1 1 A 9 9 SER CB C 9 63.851 61.765 2.086 1
1 70 . 7 1 1 A 9 9 SER N N 9 116.455 112.086 4.369 1
1 71 . 7 1 1 A 10 10 SER H H 10 8.268 7.975 0.293 1
1 72 . 7 1 1 A 10 10 SER HA H 10 4.418 4.642 -0.224 1
1 75 . 7 1 1 A 10 10 SER C C 10 175.142 175.179 -0.037 1
1 76 . 7 1 1 A 10 10 SER CA C 10 58.684 51.885 6.799 1
1 77 . 7 1 1 A 10 10 SER CB C 10 63.935 22.623 41.312 1
1 78 . 7 1 1 A 10 10 SER N N 10 117.758 119.211 -1.453 1
1 79 . 7 1 1 A 11 11 GLY H H 11 8.300 8.823 -0.523 1
1 82 . 7 1 1 A 11 11 GLY C C 11 176.844 172.601 4.243 1
1 83 . 7 1 1 A 11 11 GLY CA C 11 45.340 56.454 -11.114 1
1 84 . 7 1 1 A 11 11 GLY N N 11 110.621 113.981 -3.360 1
1 85 . 7 1 1 A 12 12 ASP H H 12 8.095 8.577 -0.482 1
1 86 . 7 1 1 A 12 12 ASP HA H 12 4.520 5.368 -0.848 1
1 89 . 7 1 1 A 12 12 ASP C C 12 176.422 173.217 3.205 1
1 90 . 7 1 1 A 12 12 ASP CA C 12 54.331 54.995 -0.664 1
1 91 . 7 1 1 A 12 12 ASP CB C 12 41.101 32.263 8.838 1
1 92 . 7 1 1 A 12 12 ASP N N 12 120.276 123.487 -3.211 1
1 93 . 7 1 1 A 13 13 LEU H H 13 8.259 8.807 -0.548 1
1 94 . 7 1 1 A 13 13 LEU HA H 13 4.326 4.946 -0.620 1
1 104 . 7 1 1 A 13 13 LEU C C 13 177.829 174.977 2.852 1
1 105 . 7 1 1 A 13 13 LEU CA C 13 55.426 56.283 -0.857 1
1 106 . 7 1 1 A 13 13 LEU CB C 13 42.043 30.500 11.543 1
1 110 . 7 1 1 A 13 13 LEU N N 13 122.645 120.222 2.423 1
1 111 . 7 1 1 A 14 14 THR H H 14 8.134 9.389 -1.255 1
1 112 . 7 1 1 A 14 14 THR HA H 14 4.265 5.068 -0.803 1
1 117 . 7 1 1 A 14 14 THR C C 14 174.821 175.173 -0.352 1
1 118 . 7 1 1 A 14 14 THR CA C 14 62.228 53.869 8.359 1
1 119 . 7 1 1 A 14 14 THR CB C 14 69.762 44.210 25.552 1
1 121 . 7 1 1 A 14 14 THR N N 14 114.338 127.548 -13.210 1
1 122 . 7 1 1 A 15 15 SER H H 15 8.181 8.810 -0.629 1
1 123 . 7 1 1 A 15 15 SER HA H 15 4.429 4.928 -0.499 1
1 126 . 7 1 1 A 15 15 SER C C 15 174.213 174.128 0.085 1
1 127 . 7 1 1 A 15 15 SER CA C 15 58.321 60.863 -2.542 1
1 128 . 7 1 1 A 15 15 SER CB C 15 63.826 32.917 30.909 1
1 129 . 7 1 1 A 15 15 SER N N 15 117.846 126.877 -9.031 1
1 130 . 7 1 1 A 16 16 ALA H H 16 8.284 9.576 -1.292 1
1 131 . 7 1 1 A 16 16 ALA HA H 16 4.395 4.894 -0.499 1
1 135 . 7 1 1 A 16 16 ALA C C 16 177.160 174.667 2.493 1
1 136 . 7 1 1 A 16 16 ALA CA C 16 52.623 60.905 -8.282 1
1 137 . 7 1 1 A 16 16 ALA CB C 16 19.390 34.874 -15.484 1
1 138 . 7 1 1 A 16 16 ALA N N 16 126.207 130.167 -3.960 1
1 139 . 7 1 1 A 17 17 SER H H 17 8.035 8.880 -0.845 1
1 140 . 7 1 1 A 17 17 SER HA H 17 4.891 5.513 -0.622 1
1 143 . 7 1 1 A 17 17 SER C C 17 173.472 175.131 -1.659 1
1 144 . 7 1 1 A 17 17 SER CA C 17 57.547 55.551 1.996 1
1 145 . 7 1 1 A 17 17 SER CB C 17 65.420 31.198 34.222 1
1 146 . 7 1 1 A 17 17 SER N N 17 114.521 127.657 -13.136 1
1 147 . 7 1 1 A 18 18 TRP H H 18 8.523 9.074 -0.551 1
1 148 . 7 1 1 A 18 18 TRP HA H 18 4.787 4.716 0.071 1
1 157 . 7 1 1 A 18 18 TRP C C 18 173.910 174.422 -0.512 1
1 158 . 7 1 1 A 18 18 TRP CA C 18 55.331 62.087 -6.756 1
1 159 . 7 1 1 A 18 18 TRP CB C 18 30.044 32.846 -2.802 1
1 165 . 7 1 1 A 18 18 TRP N N 18 120.348 125.132 -4.784 1
1 167 . 7 1 1 A 19 19 GLU H H 19 8.542 9.426 -0.884 1
1 168 . 7 1 1 A 19 19 GLU HA H 19 4.957 5.135 -0.178 1
1 173 . 7 1 1 A 19 19 GLU C C 19 175.089 174.723 0.366 1
1 174 . 7 1 1 A 19 19 GLU CA C 19 55.735 52.593 3.142 1
1 175 . 7 1 1 A 19 19 GLU CB C 19 31.683 42.995 -11.312 1
1 177 . 7 1 1 A 19 19 GLU N N 19 117.964 128.132 -10.168 1
1 178 . 7 1 1 A 20 20 LEU H H 20 8.813 9.167 -0.354 1
1 179 . 7 1 1 A 20 20 LEU HA H 20 4.794 5.040 -0.246 1
1 189 . 7 1 1 A 20 20 LEU C C 20 174.656 175.610 -0.954 1
1 190 . 7 1 1 A 20 20 LEU CA C 20 53.195 54.660 -1.465 1
1 191 . 7 1 1 A 20 20 LEU CB C 20 46.182 32.486 13.696 1
1 195 . 7 1 1 A 20 20 LEU N N 20 125.925 124.561 1.364 1
1 196 . 7 1 1 A 21 21 VAL H H 21 8.827 9.046 -0.219 1
1 197 . 7 1 1 A 21 21 VAL HA H 21 4.499 4.089 0.410 1
1 205 . 7 1 1 A 21 21 VAL C C 21 176.157 179.035 -2.878 1
1 206 . 7 1 1 A 21 21 VAL CA C 21 62.260 53.747 8.513 1
1 207 . 7 1 1 A 21 21 VAL CB C 21 31.627 18.700 12.927 1
1 210 . 7 1 1 A 21 21 VAL N N 21 127.297 126.684 0.613 1
1 211 . 7 1 1 A 22 22 VAL H H 22 9.178 7.921 1.257 1
1 212 . 7 1 1 A 22 22 VAL HA H 22 4.348 4.492 -0.144 1
1 220 . 7 1 1 A 22 22 VAL C C 22 175.253 176.081 -0.828 1
1 221 . 7 1 1 A 22 22 VAL CA C 22 60.925 55.268 5.657 1
1 222 . 7 1 1 A 22 22 VAL CB C 22 34.352 39.282 -4.930 1
1 225 . 7 1 1 A 22 22 VAL N N 22 129.937 116.805 13.132 1
1 226 . 7 1 1 A 23 23 ARG H H 23 8.104 7.888 0.216 1
1 235 . 7 1 1 A 23 23 ARG C C 23 174.950 174.163 0.787 1
1 236 . 7 1 1 A 23 23 ARG CA C 23 55.516 44.333 11.183 1
1 240 . 7 1 1 A 23 23 ARG N N 23 125.848 108.252 17.596 1
1 242 . 7 1 1 A 24 24 VAL H H 24 9.325 8.416 0.909 1
1 243 . 7 1 1 A 24 24 VAL HA H 24 5.011 4.745 0.266 1
1 251 . 7 1 1 A 24 24 VAL C C 24 175.449 176.054 -0.605 1
1 252 . 7 1 1 A 24 24 VAL CA C 24 61.634 55.788 5.846 1
1 253 . 7 1 1 A 24 24 VAL CB C 24 33.928 31.020 2.908 1
1 256 . 7 1 1 A 24 24 VAL N N 24 124.136 116.819 7.317 1
1 257 . 7 1 1 A 25 25 ASP H H 25 8.414 7.582 0.832 1
1 258 . 7 1 1 A 25 25 ASP HA H 25 5.220 4.865 0.355 1
1 261 . 7 1 1 A 25 25 ASP C C 25 176.671 175.449 1.222 1
1 262 . 7 1 1 A 25 25 ASP CA C 25 52.956 54.619 -1.663 1
1 263 . 7 1 1 A 25 25 ASP CB C 25 43.473 31.444 12.029 1
1 264 . 7 1 1 A 25 25 ASP N N 25 126.172 120.981 5.191 1
1 265 . 7 1 1 A 26 26 HIS H H 26 9.152 8.517 0.635 1
1 266 . 7 1 1 A 26 26 HIS HA H 26 4.542 4.941 -0.399 1
1 271 . 7 1 1 A 26 26 HIS C C 26 174.917 176.053 -1.136 1
1 272 . 7 1 1 A 26 26 HIS CA C 26 56.700 56.007 0.693 1
1 273 . 7 1 1 A 26 26 HIS CB C 26 30.185 29.207 0.978 1
1 276 . 7 1 1 A 26 26 HIS N N 26 124.402 125.578 -1.176 1
1 277 . 7 1 1 A 27 27 ALA H H 27 9.121 8.990 0.131 1
1 278 . 7 1 1 A 27 27 ALA HA H 27 3.984 4.899 -0.915 1
1 282 . 7 1 1 A 27 27 ALA C C 27 176.927 174.174 2.753 1
1 283 . 7 1 1 A 27 27 ALA CA C 27 53.240 62.171 -8.931 1
1 284 . 7 1 1 A 27 27 ALA CB C 27 17.122 70.212 -53.090 1
1 285 . 7 1 1 A 27 27 ALA N N 27 121.895 117.467 4.428 1
1 286 . 7 1 1 A 28 28 ASN H H 28 8.140 8.850 -0.710 1
1 287 . 7 1 1 A 28 28 ASN HA H 28 4.628 4.700 -0.072 1
1 292 . 7 1 1 A 28 28 ASN C C 28 176.389 175.184 1.205 1
1 293 . 7 1 1 A 28 28 ASN CA C 28 52.466 55.923 -3.457 1
1 294 . 7 1 1 A 28 28 ASN CB C 28 38.624 30.359 8.265 1
1 295 . 7 1 1 A 28 28 ASN N N 28 114.287 125.778 -11.491 1
1 297 . 7 1 1 A 29 29 GLY H H 29 8.254 9.579 -1.325 1
1 300 . 7 1 1 A 29 29 GLY C C 29 174.848 175.376 -0.528 1
1 301 . 7 1 1 A 29 29 GLY CA C 29 45.354 60.047 -14.693 1
1 302 . 7 1 1 A 29 29 GLY N N 29 108.650 126.176 -17.526 1
1 303 . 7 1 1 A 30 30 GLU H H 30 7.860 9.129 -1.269 1
1 304 . 7 1 1 A 30 30 GLU HA H 30 4.267 4.983 -0.716 1
1 309 . 7 1 1 A 30 30 GLU C C 30 176.802 173.473 3.329 1
1 310 . 7 1 1 A 30 30 GLU CA C 30 56.348 62.098 -5.750 1
1 311 . 7 1 1 A 30 30 GLU CB C 30 30.460 69.775 -39.315 1
1 313 . 7 1 1 A 30 30 GLU N N 30 119.375 124.334 -4.959 1
1 314 . 7 1 1 A 31 31 GLN H H 31 8.280 9.107 -0.827 1
1 315 . 7 1 1 A 31 31 GLN HA H 31 4.222 5.079 -0.857 1
1 322 . 7 1 1 A 31 31 GLN C C 31 175.995 175.373 0.622 1
1 323 . 7 1 1 A 31 31 GLN CA C 31 55.917 53.011 2.906 1
1 324 . 7 1 1 A 31 31 GLN CB C 31 30.002 44.918 -14.916 1
1 326 . 7 1 1 A 31 31 GLN N N 31 120.036 127.280 -7.244 1
1 328 . 7 1 1 A 32 32 GLN H H 32 7.520 8.793 -1.273 1
1 329 . 7 1 1 A 32 32 GLN HA H 32 4.905 4.644 0.261 1
1 336 . 7 1 1 A 32 32 GLN C C 32 176.112 175.598 0.514 1
1 337 . 7 1 1 A 32 32 GLN CA C 32 56.211 55.314 0.897 1
1 338 . 7 1 1 A 32 32 GLN CB C 32 30.863 31.206 -0.343 1
1 340 . 7 1 1 A 32 32 GLN N N 32 123.146 124.193 -1.047 1
1 342 . 7 1 1 A 33 33 THR H H 33 8.533 8.937 -0.404 1
1 343 . 7 1 1 A 33 33 THR HA H 33 4.621 4.611 0.010 1
1 348 . 7 1 1 A 33 33 THR C C 33 173.112 174.393 -1.281 1
1 349 . 7 1 1 A 33 33 THR CA C 33 61.506 59.338 2.168 1
1 350 . 7 1 1 A 33 33 THR CB C 33 71.605 34.206 37.399 1
1 352 . 7 1 1 A 33 33 THR N N 33 118.233 121.684 -3.451 1
1 353 . 7 1 1 A 34 34 GLU H H 34 8.711 8.590 0.121 1
1 354 . 7 1 1 A 34 34 GLU HA H 34 4.939 4.833 0.106 1
1 359 . 7 1 1 A 34 34 GLU C C 34 175.108 175.951 -0.843 1
1 360 . 7 1 1 A 34 34 GLU CA C 34 55.553 57.228 -1.675 1
1 361 . 7 1 1 A 34 34 GLU CB C 34 31.950 64.945 -32.995 1
1 363 . 7 1 1 A 34 34 GLU N N 34 124.692 120.924 3.768 1
1 364 . 7 1 1 A 35 35 ILE H H 35 9.115 9.181 -0.066 1
1 375 . 7 1 1 A 35 35 ILE C C 35 174.282 174.738 -0.456 1
1 376 . 7 1 1 A 35 35 ILE CA C 35 59.057 47.230 11.827 1
1 381 . 7 1 1 A 35 35 ILE N N 35 127.113 112.072 15.041 1
1 382 . 7 1 1 A 36 36 THR H H 36 8.545 7.765 0.780 1
1 383 . 7 1 1 A 36 36 THR HA H 36 4.772 4.745 0.027 1
1 388 . 7 1 1 A 36 36 THR C C 36 174.054 175.741 -1.687 1
1 389 . 7 1 1 A 36 36 THR CA C 36 62.257 53.373 8.884 1
1 390 . 7 1 1 A 36 36 THR CB C 36 68.948 41.159 27.789 1
1 392 . 7 1 1 A 36 36 THR N N 36 123.057 120.916 2.141 1
1 393 . 7 1 1 A 37 37 LEU H H 37 9.161 7.442 1.719 1
1 394 . 7 1 1 A 37 37 LEU HA H 37 4.503 4.766 -0.263 1
1 404 . 7 1 1 A 37 37 LEU C C 37 175.047 175.973 -0.926 1
1 405 . 7 1 1 A 37 37 LEU CA C 37 52.646 53.474 -0.828 1
1 406 . 7 1 1 A 37 37 LEU CB C 37 45.951 43.661 2.290 1
1 410 . 7 1 1 A 37 37 LEU N N 37 128.195 121.852 6.343 1
1 411 . 7 1 1 A 38 38 ARG H H 38 8.258 8.849 -0.591 1
1 412 . 7 1 1 A 38 38 ARG HA H 38 4.556 5.121 -0.565 1
1 420 . 7 1 1 A 38 38 ARG C C 38 175.726 176.548 -0.822 1
1 421 . 7 1 1 A 38 38 ARG CA C 38 55.701 55.301 0.400 1
1 422 . 7 1 1 A 38 38 ARG CB C 38 29.601 31.512 -1.911 1
1 425 . 7 1 1 A 38 38 ARG N N 38 122.992 121.486 1.506 1
1 427 . 7 1 1 A 39 39 VAL H H 39 8.635 9.426 -0.791 1
1 428 . 7 1 1 A 39 39 VAL HA H 39 4.358 3.569 0.789 1
1 436 . 7 1 1 A 39 39 VAL C C 39 172.241 178.533 -6.292 1
1 437 . 7 1 1 A 39 39 VAL CA C 39 58.334 65.035 -6.701 1
1 438 . 7 1 1 A 39 39 VAL CB C 39 35.214 37.811 -2.597 1
1 441 . 7 1 1 A 39 39 VAL N N 39 118.388 120.914 -2.526 1
1 442 . 7 1 1 A 40 40 SER H H 40 6.388 8.705 -2.317 1
1 446 . 7 1 1 A 40 40 SER C C 40 175.046 176.911 -1.865 1
1 447 . 7 1 1 A 40 40 SER CA C 40 56.216 47.290 8.926 1
1 449 . 7 1 1 A 40 40 SER N N 40 108.799 108.904 -0.105 1
1 450 . 7 1 1 A 41 41 GLY H H 41 9.085 7.817 1.268 1
1 451 . 7 1 1 A 41 41 GLY HA2 H 41 3.850 3.337 0.513 1
1 452 . 7 1 1 A 41 41 GLY HA3 H 41 4.321 3.609 0.712 1
1 453 . 7 1 1 A 41 41 GLY C C 41 173.137 175.866 -2.729 1
1 454 . 7 1 1 A 41 41 GLY CA C 41 47.346 46.664 0.682 1
1 455 . 7 1 1 A 41 41 GLY N N 41 107.767 109.632 -1.865 1
1 456 . 7 1 1 A 42 42 ASP H H 42 7.994 7.671 0.323 1
1 457 . 7 1 1 A 42 42 ASP HA H 42 4.498 3.579 0.919 1
1 460 . 7 1 1 A 42 42 ASP C C 42 175.609 177.482 -1.873 1
1 461 . 7 1 1 A 42 42 ASP CA C 42 53.241 65.642 -12.401 1
1 462 . 7 1 1 A 42 42 ASP CB C 42 40.331 31.515 8.816 1
1 463 . 7 1 1 A 42 42 ASP N N 42 112.956 121.717 -8.761 1
1 464 . 7 1 1 A 43 43 LEU H H 43 7.431 8.499 -1.068 1
1 465 . 7 1 1 A 43 43 LEU HA H 43 4.210 3.898 0.312 1
1 475 . 7 1 1 A 43 43 LEU C C 43 175.552 178.514 -2.962 1
1 476 . 7 1 1 A 43 43 LEU CA C 43 55.199 59.014 -3.815 1
1 477 . 7 1 1 A 43 43 LEU CB C 43 42.398 32.803 9.595 1
1 481 . 7 1 1 A 43 43 LEU N N 43 123.293 117.622 5.671 1
1 482 . 7 1 1 A 44 44 HIS H H 44 8.405 7.656 0.749 1
1 483 . 7 1 1 A 44 44 HIS HA H 44 5.154 4.036 1.118 1
1 488 . 7 1 1 A 44 44 HIS C C 44 177.511 178.757 -1.246 1
1 489 . 7 1 1 A 44 44 HIS CA C 44 54.692 57.657 -2.965 1
1 490 . 7 1 1 A 44 44 HIS CB C 44 30.868 41.805 -10.937 1
1 493 . 7 1 1 A 44 44 HIS N N 44 121.975 121.019 0.956 1
1 494 . 7 1 1 A 45 45 ILE H H 45 8.628 7.818 0.810 1
1 495 . 7 1 1 A 45 45 ILE HA H 45 3.445 3.910 -0.465 1
1 505 . 7 1 1 A 45 45 ILE C C 45 179.116 178.851 0.265 1
1 506 . 7 1 1 A 45 45 ILE CA C 45 62.585 59.301 3.284 1
1 507 . 7 1 1 A 45 45 ILE CB C 45 35.492 31.541 3.951 1
1 511 . 7 1 1 A 45 45 ILE N N 45 124.304 119.341 4.963 1
1 512 . 7 1 1 A 46 46 GLY H H 46 9.792 7.746 2.046 1
1 515 . 7 1 1 A 46 46 GLY C C 46 175.742 178.813 -3.071 1
1 516 . 7 1 1 A 46 46 GLY CA C 46 46.812 57.986 -11.174 1
1 517 . 7 1 1 A 46 46 GLY N N 46 106.610 120.369 -13.759 1
1 518 . 7 1 1 A 47 47 GLY H H 47 6.761 7.461 -0.700 1
1 521 . 7 1 1 A 47 47 GLY C C 47 176.182 177.953 -1.771 1
1 522 . 7 1 1 A 47 47 GLY CA C 47 46.819 66.443 -19.624 1
1 523 . 7 1 1 A 47 47 GLY N N 47 109.580 117.891 -8.311 1
1 524 . 7 1 1 A 48 48 VAL H H 48 7.669 8.345 -0.676 1
1 525 . 7 1 1 A 48 48 VAL HA H 48 3.083 3.884 -0.801 1
1 533 . 7 1 1 A 48 48 VAL C C 48 176.849 178.773 -1.924 1
1 534 . 7 1 1 A 48 48 VAL CA C 48 66.775 59.769 7.006 1
1 535 . 7 1 1 A 48 48 VAL CB C 48 30.944 29.091 1.853 1
1 538 . 7 1 1 A 48 48 VAL N N 48 123.461 120.009 3.452 1
1 539 . 7 1 1 A 49 49 MET H H 49 7.632 8.213 -0.581 1
1 540 . 7 1 1 A 49 49 MET HA H 49 3.143 4.021 -0.878 1
1 548 . 7 1 1 A 49 49 MET C C 49 176.774 178.035 -1.261 1
1 549 . 7 1 1 A 49 49 MET CA C 49 59.972 58.585 1.387 1
1 550 . 7 1 1 A 49 49 MET CB C 49 33.142 28.230 4.912 1
1 553 . 7 1 1 A 49 49 MET N N 49 115.691 119.180 -3.489 1
1 554 . 7 1 1 A 50 50 LEU H H 50 7.535 7.733 -0.198 1
1 555 . 7 1 1 A 50 50 LEU HA H 50 3.821 4.407 -0.586 1
1 565 . 7 1 1 A 50 50 LEU C C 50 179.001 176.396 2.605 1
1 566 . 7 1 1 A 50 50 LEU CA C 50 57.910 58.924 -1.014 1
1 567 . 7 1 1 A 50 50 LEU CB C 50 41.821 32.511 9.310 1
1 571 . 7 1 1 A 50 50 LEU N N 50 117.445 117.786 -0.341 1
1 572 . 7 1 1 A 51 51 LYS H H 51 7.447 8.622 -1.175 1
1 573 . 7 1 1 A 51 51 LYS HA H 51 3.880 4.391 -0.511 1
1 582 . 7 1 1 A 51 51 LYS C C 51 178.975 173.968 5.007 1
1 583 . 7 1 1 A 51 51 LYS CA C 51 59.003 54.140 4.863 1
1 584 . 7 1 1 A 51 51 LYS CB C 51 32.890 37.364 -4.474 1
1 588 . 7 1 1 A 51 51 LYS N N 51 118.306 117.187 1.119 1
1 589 . 7 1 1 A 52 52 LEU H H 52 7.547 7.905 -0.358 1
1 590 . 7 1 1 A 52 52 LEU HA H 52 3.523 4.372 -0.849 1
1 600 . 7 1 1 A 52 52 LEU C C 52 177.676 175.448 2.228 1
1 601 . 7 1 1 A 52 52 LEU CA C 52 58.038 60.065 -2.027 1
1 602 . 7 1 1 A 52 52 LEU CB C 52 41.660 39.037 2.623 1
1 606 . 7 1 1 A 52 52 LEU N N 52 119.198 119.813 -0.615 1
1 607 . 7 1 1 A 53 53 VAL H H 53 7.368 8.813 -1.445 1
1 608 . 7 1 1 A 53 53 VAL HA H 53 2.469 4.466 -1.997 1
1 616 . 7 1 1 A 53 53 VAL C C 53 179.189 176.154 3.035 1
1 617 . 7 1 1 A 53 53 VAL CA C 53 66.706 51.770 14.936 1
1 618 . 7 1 1 A 53 53 VAL CB C 53 31.343 17.583 13.760 1
1 621 . 7 1 1 A 53 53 VAL N N 53 117.879 131.297 -13.418 1
1 622 . 7 1 1 A 54 54 GLU H H 54 7.966 7.769 0.197 1
1 623 . 7 1 1 A 54 54 GLU HA H 54 3.865 4.745 -0.880 1
1 628 . 7 1 1 A 54 54 GLU C C 54 178.593 173.845 4.748 1
1 629 . 7 1 1 A 54 54 GLU CA C 54 58.935 53.395 5.540 1
1 630 . 7 1 1 A 54 54 GLU CB C 54 29.772 29.855 -0.083 1
1 632 . 7 1 1 A 54 54 GLU N N 54 119.295 118.435 0.860 1
1 633 . 7 1 1 A 55 55 GLN H H 55 7.651 8.448 -0.797 1
1 634 . 7 1 1 A 55 55 GLN HA H 55 4.005 4.668 -0.663 1
1 641 . 7 1 1 A 55 55 GLN C C 55 177.512 175.836 1.676 1
1 642 . 7 1 1 A 55 55 GLN CA C 55 57.362 52.810 4.552 1
1 643 . 7 1 1 A 55 55 GLN CB C 55 28.938 40.295 -11.357 1
1 645 . 7 1 1 A 55 55 GLN N N 55 116.036 120.794 -4.758 1
1 647 . 7 1 1 A 56 56 MET H H 56 7.691 7.975 -0.284 1
1 648 . 7 1 1 A 56 56 MET HA H 56 4.316 4.358 -0.042 1
1 656 . 7 1 1 A 56 56 MET C C 56 176.572 176.863 -0.291 1
1 657 . 7 1 1 A 56 56 MET CA C 56 56.492 60.437 -3.945 1
1 658 . 7 1 1 A 56 56 MET CB C 56 32.901 29.813 3.088 1
1 661 . 7 1 1 A 56 56 MET N N 56 117.664 125.828 -8.164 1
1 662 . 7 1 1 A 57 57 ASN H H 57 7.816 8.171 -0.355 1
1 663 . 7 1 1 A 57 57 ASN HA H 57 4.495 4.254 0.241 1
1 668 . 7 1 1 A 57 57 ASN C C 57 174.613 174.092 0.521 1
1 669 . 7 1 1 A 57 57 ASN CA C 57 53.813 61.301 -7.488 1
1 670 . 7 1 1 A 57 57 ASN CB C 57 37.713 61.769 -24.056 1
1 671 . 7 1 1 A 57 57 ASN N N 57 115.864 112.592 3.272 1
1 673 . 7 1 1 A 58 58 ILE H H 58 8.391 8.720 -0.329 1
1 674 . 7 1 1 A 58 58 ILE HA H 58 4.284 4.662 -0.378 1
1 684 . 7 1 1 A 58 58 ILE C C 58 175.277 174.843 0.434 1
1 685 . 7 1 1 A 58 58 ILE CA C 58 60.631 53.578 7.053 1
1 686 . 7 1 1 A 58 58 ILE CB C 58 41.470 41.060 0.410 1
1 690 . 7 1 1 A 58 58 ILE N N 58 117.760 118.163 -0.403 1
1 691 . 7 1 1 A 59 59 ALA H H 59 8.438 7.712 0.726 1
1 692 . 7 1 1 A 59 59 ALA HA H 59 4.535 4.327 0.208 1
1 696 . 7 1 1 A 59 59 ALA C C 59 175.554 175.427 0.127 1
1 697 . 7 1 1 A 59 59 ALA CA C 59 51.604 57.845 -6.241 1
1 698 . 7 1 1 A 59 59 ALA CB C 59 17.256 38.963 -21.707 1
1 699 . 7 1 1 A 59 59 ALA N N 59 129.371 118.445 10.926 1
1 700 . 7 1 1 A 60 60 GLN H H 60 7.498 8.598 -1.100 1
1 701 . 7 1 1 A 60 60 GLN HA H 60 4.291 4.963 -0.672 1
1 708 . 7 1 1 A 60 60 GLN C C 60 172.908 175.732 -2.824 1
1 709 . 7 1 1 A 60 60 GLN CA C 60 53.492 51.285 2.207 1
1 710 . 7 1 1 A 60 60 GLN CB C 60 30.340 23.513 6.827 1
1 712 . 7 1 1 A 60 60 GLN N N 60 120.550 122.647 -2.097 1
1 714 . 7 1 1 A 61 61 ASP H H 61 8.086 8.807 -0.721 1
1 715 . 7 1 1 A 61 61 ASP HA H 61 4.622 5.223 -0.601 1
1 718 . 7 1 1 A 61 61 ASP C C 61 177.529 176.003 1.526 1
1 719 . 7 1 1 A 61 61 ASP CA C 61 53.520 54.212 -0.692 1
1 720 . 7 1 1 A 61 61 ASP CB C 61 40.493 43.528 -3.035 1
1 721 . 7 1 1 A 61 61 ASP N N 61 118.225 118.940 -0.715 1
1 722 . 7 1 1 A 62 62 TRP H H 62 8.999 9.682 -0.683 1
1 723 . 7 1 1 A 62 62 TRP HA H 62 4.578 5.201 -0.623 1
1 732 . 7 1 1 A 62 62 TRP C C 62 178.609 174.705 3.904 1
1 733 . 7 1 1 A 62 62 TRP CA C 62 57.200 54.498 2.702 1
1 734 . 7 1 1 A 62 62 TRP CB C 62 29.155 30.838 -1.683 1
1 740 . 7 1 1 A 62 62 TRP N N 62 129.134 126.456 2.678 1
1 742 . 7 1 1 A 63 63 SER H H 63 8.756 8.666 0.090 1
1 743 . 7 1 1 A 63 63 SER HA H 63 4.127 4.710 -0.583 1
1 746 . 7 1 1 A 63 63 SER C C 63 175.119 175.723 -0.604 1
1 747 . 7 1 1 A 63 63 SER CA C 63 62.933 55.834 7.099 1
1 748 . 7 1 1 A 63 63 SER CB C 63 63.120 29.568 33.552 1
1 749 . 7 1 1 A 63 63 SER N N 63 119.231 129.956 -10.725 1
1 750 . 7 1 1 A 64 64 ASP H H 64 9.095 8.367 0.728 1
1 751 . 7 1 1 A 64 64 ASP HA H 64 4.876 3.647 1.229 1
1 754 . 7 1 1 A 64 64 ASP C C 64 177.267 178.219 -0.952 1
1 755 . 7 1 1 A 64 64 ASP CA C 64 54.157 59.469 -5.312 1
1 756 . 7 1 1 A 64 64 ASP CB C 64 43.116 29.523 13.593 1
1 757 . 7 1 1 A 64 64 ASP N N 64 120.137 125.950 -5.813 1
1 758 . 7 1 1 A 65 65 TYR H H 65 7.991 8.123 -0.132 1
1 759 . 7 1 1 A 65 65 TYR HA H 65 4.151 4.027 0.124 1
1 766 . 7 1 1 A 65 65 TYR C C 65 175.746 177.020 -1.274 1
1 767 . 7 1 1 A 65 65 TYR CA C 65 59.053 58.164 0.889 1
1 768 . 7 1 1 A 65 65 TYR CB C 65 38.836 28.474 10.362 1
1 773 . 7 1 1 A 65 65 TYR N N 65 121.458 118.873 2.585 1
1 774 . 7 1 1 A 66 66 ALA H H 66 8.698 7.081 1.617 1
1 775 . 7 1 1 A 66 66 ALA HA H 66 4.794 4.015 0.779 1
1 779 . 7 1 1 A 66 66 ALA C C 66 175.126 175.242 -0.116 1
1 780 . 7 1 1 A 66 66 ALA CA C 66 51.166 55.328 -4.162 1
1 781 . 7 1 1 A 66 66 ALA CB C 66 23.771 33.002 -9.231 1
1 782 . 7 1 1 A 66 66 ALA N N 66 122.944 117.209 5.735 1
1 783 . 7 1 1 A 67 67 LEU H H 67 9.131 7.292 1.839 1
1 784 . 7 1 1 A 67 67 LEU HA H 67 5.498 3.075 2.423 1
1 794 . 7 1 1 A 67 67 LEU C C 67 174.489 173.715 0.774 1
1 795 . 7 1 1 A 67 67 LEU CA C 67 53.987 56.589 -2.602 1
1 796 . 7 1 1 A 67 67 LEU CB C 67 44.080 26.854 17.226 1
1 800 . 7 1 1 A 67 67 LEU N N 67 118.646 115.938 2.708 1
1 801 . 7 1 1 A 68 68 TRP H H 68 9.934 6.674 3.260 1
1 802 . 7 1 1 A 68 68 TRP HA H 68 4.680 5.053 -0.373 1
1 811 . 7 1 1 A 68 68 TRP C C 68 174.148 172.714 1.434 1
1 812 . 7 1 1 A 68 68 TRP CA C 68 55.276 57.805 -2.529 1
1 813 . 7 1 1 A 68 68 TRP CB C 68 30.222 32.481 -2.259 1
1 819 . 7 1 1 A 68 68 TRP N N 68 126.978 115.522 11.456 1
1 821 . 7 1 1 A 69 69 TRP H H 69 8.507 9.097 -0.590 1
1 822 . 7 1 1 A 69 69 TRP HA H 69 5.060 5.358 -0.298 1
1 831 . 7 1 1 A 69 69 TRP C C 69 175.837 176.095 -0.258 1
1 832 . 7 1 1 A 69 69 TRP CA C 69 52.520 56.400 -3.880 1
1 833 . 7 1 1 A 69 69 TRP CB C 69 30.500 30.791 -0.291 1
1 839 . 7 1 1 A 69 69 TRP N N 69 129.756 123.712 6.044 1
1 841 . 7 1 1 A 70 70 GLU H H 70 8.917 9.594 -0.677 1
1 842 . 7 1 1 A 70 70 GLU HA H 70 3.817 4.570 -0.753 1
1 847 . 7 1 1 A 70 70 GLU C C 70 179.449 176.913 2.536 1
1 848 . 7 1 1 A 70 70 GLU CA C 70 60.208 54.462 5.746 1
1 849 . 7 1 1 A 70 70 GLU CB C 70 29.937 41.163 -11.226 1
1 851 . 7 1 1 A 70 70 GLU N N 70 126.517 125.943 0.574 1
1 852 . 7 1 1 A 71 71 GLN H H 71 8.515 8.461 0.054 1
1 853 . 7 1 1 A 71 71 GLN HA H 71 3.782 4.691 -0.909 1
1 860 . 7 1 1 A 71 71 GLN C C 71 177.266 176.831 0.435 1
1 861 . 7 1 1 A 71 71 GLN CA C 71 61.006 54.101 6.905 1
1 862 . 7 1 1 A 71 71 GLN CB C 71 27.451 42.535 -15.084 1
1 864 . 7 1 1 A 71 71 GLN N N 71 114.822 125.806 -10.984 1
1 866 . 7 1 1 A 72 72 LYS H H 72 5.086 7.306 -2.220 1
1 867 . 7 1 1 A 72 72 LYS HA H 72 3.719 4.294 -0.575 1
1 876 . 7 1 1 A 72 72 LYS C C 72 174.268 177.462 -3.194 1
1 877 . 7 1 1 A 72 72 LYS CA C 72 53.864 54.584 -0.720 1
1 878 . 7 1 1 A 72 72 LYS CB C 72 33.242 29.791 3.451 1
1 882 . 7 1 1 A 72 72 LYS N N 72 112.499 120.169 -7.670 1
1 883 . 7 1 1 A 73 73 ARG H H 73 7.402 7.802 -0.400 1
1 884 . 7 1 1 A 73 73 ARG HA H 73 2.800 4.027 -1.227 1
1 892 . 7 1 1 A 73 73 ARG C C 73 173.935 175.834 -1.899 1
1 893 . 7 1 1 A 73 73 ARG CA C 73 56.187 65.125 -8.938 1
1 894 . 7 1 1 A 73 73 ARG CB C 73 26.602 68.542 -41.940 1
1 897 . 7 1 1 A 73 73 ARG N N 73 118.477 113.740 4.737 1
1 899 . 7 1 1 A 74 74 CYS H H 74 6.242 7.545 -1.303 1
1 900 . 7 1 1 A 74 74 CYS HA H 74 4.671 4.521 0.150 1
1 903 . 7 1 1 A 74 74 CYS C C 74 171.332 175.356 -4.024 1
1 904 . 7 1 1 A 74 74 CYS CA C 74 54.443 57.459 -3.016 1
1 905 . 7 1 1 A 74 74 CYS CB C 74 31.599 30.016 1.583 1
1 906 . 7 1 1 A 74 74 CYS N N 74 110.705 118.884 -8.179 1
1 907 . 7 1 1 A 75 75 TRP H H 75 8.567 7.682 0.885 1
1 908 . 7 1 1 A 75 75 TRP HA H 75 5.414 4.788 0.626 1
1 917 . 7 1 1 A 75 75 TRP C C 75 177.638 176.519 1.119 1
1 918 . 7 1 1 A 75 75 TRP CA C 75 55.720 56.807 -1.087 1
1 919 . 7 1 1 A 75 75 TRP CB C 75 30.966 30.920 0.046 1
1 925 . 7 1 1 A 75 75 TRP N N 75 120.876 119.991 0.885 1
1 927 . 7 1 1 A 76 76 LEU H H 76 9.181 8.904 0.277 1
1 928 . 7 1 1 A 76 76 LEU HA H 76 4.737 5.080 -0.343 1
1 938 . 7 1 1 A 76 76 LEU C C 76 175.745 176.453 -0.708 1
1 939 . 7 1 1 A 76 76 LEU CA C 76 53.729 60.261 -6.532 1
1 940 . 7 1 1 A 76 76 LEU CB C 76 40.810 71.993 -31.183 1
1 944 . 7 1 1 A 76 76 LEU N N 76 125.488 114.549 10.939 1
1 945 . 7 1 1 A 77 77 LEU H H 77 7.711 8.683 -0.972 1
1 946 . 7 1 1 A 77 77 LEU HA H 77 4.416 4.113 0.303 1
1 956 . 7 1 1 A 77 77 LEU C C 77 178.257 178.931 -0.674 1
1 957 . 7 1 1 A 77 77 LEU CA C 77 54.539 58.208 -3.669 1
1 958 . 7 1 1 A 77 77 LEU CB C 77 42.566 41.588 0.978 1
1 962 . 7 1 1 A 77 77 LEU N N 77 119.493 122.714 -3.221 1
1 963 . 7 1 1 A 78 78 LYS H H 78 8.173 7.910 0.263 1
1 964 . 7 1 1 A 78 78 LYS HA H 78 4.380 4.362 0.018 1
1 973 . 7 1 1 A 78 78 LYS C C 78 177.029 178.642 -1.613 1
1 974 . 7 1 1 A 78 78 LYS CA C 78 54.048 58.078 -4.030 1
1 975 . 7 1 1 A 78 78 LYS CB C 78 28.755 41.217 -12.462 1
1 979 . 7 1 1 A 78 78 LYS N N 78 121.730 118.968 2.762 1
1 980 . 7 1 1 A 79 79 THR H H 79 7.812 7.862 -0.050 1
1 981 . 7 1 1 A 79 79 THR HA H 79 3.677 4.052 -0.375 1
1 986 . 7 1 1 A 79 79 THR C C 79 175.193 179.016 -3.823 1
1 987 . 7 1 1 A 79 79 THR CA C 79 64.890 58.997 5.893 1
1 988 . 7 1 1 A 79 79 THR CB C 79 68.447 32.153 36.294 1
1 990 . 7 1 1 A 79 79 THR N N 79 114.142 118.801 -4.659 1
1 991 . 7 1 1 A 80 80 HIS H H 80 8.929 8.005 0.924 1
1 992 . 7 1 1 A 80 80 HIS HA H 80 4.759 4.753 0.006 1
1 995 . 7 1 1 A 80 80 HIS C C 80 175.622 175.283 0.339 1
1 996 . 7 1 1 A 80 80 HIS CA C 80 56.078 59.965 -3.887 1
1 997 . 7 1 1 A 80 80 HIS CB C 80 29.927 27.984 1.943 1
1 998 . 7 1 1 A 80 80 HIS N N 80 117.372 115.560 1.812 1
1 999 . 7 1 1 A 81 81 TRP H H 81 8.544 8.557 -0.013 1
1 1009 . 7 1 1 A 81 81 TRP C C 81 175.952 174.140 1.812 1
1 1010 . 7 1 1 A 81 81 TRP CA C 81 56.009 45.084 10.925 1
1 1017 . 7 1 1 A 81 81 TRP N N 81 122.512 108.658 13.854 1
1 1019 . 7 1 1 A 82 82 THR H H 82 7.587 7.357 0.230 1
1 1020 . 7 1 1 A 82 82 THR HA H 82 4.725 4.117 0.608 1
1 1025 . 7 1 1 A 82 82 THR C C 82 176.305 174.682 1.623 1
1 1026 . 7 1 1 A 82 82 THR CA C 82 60.250 61.061 -0.811 1
1 1027 . 7 1 1 A 82 82 THR CB C 82 70.601 32.229 38.372 1
1 1029 . 7 1 1 A 82 82 THR N N 82 109.728 121.854 -12.126 1
1 1030 . 7 1 1 A 83 83 LEU H H 83 8.354 8.509 -0.155 1
1 1031 . 7 1 1 A 83 83 LEU HA H 83 3.798 4.136 -0.338 1
1 1040 . 7 1 1 A 83 83 LEU C C 83 179.461 175.946 3.515 1
1 1041 . 7 1 1 A 83 83 LEU CA C 83 59.442 53.463 5.979 1
1 1042 . 7 1 1 A 83 83 LEU CB C 83 40.758 31.263 9.495 1
1 1045 . 7 1 1 A 83 83 LEU N N 83 122.120 126.417 -4.297 1
1 1046 . 7 1 1 A 84 84 ASP H H 84 8.985 8.005 0.980 1
1 1047 . 7 1 1 A 84 84 ASP HA H 84 4.427 4.113 0.314 1
1 1050 . 7 1 1 A 84 84 ASP C C 84 179.464 178.406 1.058 1
1 1051 . 7 1 1 A 84 84 ASP CA C 84 57.459 54.535 2.924 1
1 1052 . 7 1 1 A 84 84 ASP CB C 84 40.243 18.419 21.824 1
1 1053 . 7 1 1 A 84 84 ASP N N 84 118.020 122.592 -4.572 1
1 1054 . 7 1 1 A 85 85 LYS H H 85 8.134 7.757 0.377 1
1 1055 . 7 1 1 A 85 85 LYS HA H 85 3.820 4.614 -0.794 1
1 1064 . 7 1 1 A 85 85 LYS C C 85 178.824 176.144 2.680 1
1 1065 . 7 1 1 A 85 85 LYS CA C 85 59.103 54.977 4.126 1
1 1066 . 7 1 1 A 85 85 LYS CB C 85 32.229 41.380 -9.151 1
1 1070 . 7 1 1 A 85 85 LYS N N 85 123.380 116.042 7.338 1
1 1071 . 7 1 1 A 86 86 CYS H H 86 8.083 7.362 0.721 1
1 1072 . 7 1 1 A 86 86 CYS HA H 86 4.439 4.450 -0.011 1
1 1075 . 7 1 1 A 86 86 CYS C C 86 174.621 176.600 -1.979 1
1 1076 . 7 1 1 A 86 86 CYS CA C 86 61.800 51.277 10.523 1
1 1077 . 7 1 1 A 86 86 CYS CB C 86 28.700 20.188 8.512 1
1 1078 . 7 1 1 A 86 86 CYS N N 86 113.734 121.652 -7.918 1
1 1079 . 7 1 1 A 87 87 GLY H H 87 7.904 8.888 -0.984 1
1 1082 . 7 1 1 A 87 87 GLY C C 87 174.471 174.414 0.057 1
1 1083 . 7 1 1 A 87 87 GLY CA C 87 45.434 53.002 -7.568 1
1 1084 . 7 1 1 A 87 87 GLY N N 87 107.243 121.813 -14.570 1
1 1085 . 7 1 1 A 88 88 VAL H H 88 7.635 8.995 -1.360 1
1 1086 . 7 1 1 A 88 88 VAL HA H 88 3.165 5.180 -2.015 1
1 1094 . 7 1 1 A 88 88 VAL C C 88 173.926 174.284 -0.358 1
1 1095 . 7 1 1 A 88 88 VAL CA C 88 63.281 53.371 9.910 1
1 1096 . 7 1 1 A 88 88 VAL CB C 88 31.892 45.286 -13.394 1
1 1099 . 7 1 1 A 88 88 VAL N N 88 122.351 128.749 -6.398 1
1 1100 . 7 1 1 A 89 89 GLN H H 89 7.651 9.378 -1.727 1
1 1101 . 7 1 1 A 89 89 GLN HA H 89 3.946 5.592 -1.646 1
1 1108 . 7 1 1 A 89 89 GLN C C 89 175.629 174.858 0.771 1
1 1109 . 7 1 1 A 89 89 GLN CA C 89 53.861 53.234 0.627 1
1 1110 . 7 1 1 A 89 89 GLN CB C 89 31.010 45.313 -14.303 1
1 1112 . 7 1 1 A 89 89 GLN N N 89 125.820 129.171 -3.351 1
1 1114 . 7 1 1 A 90 90 ALA H H 90 7.025 9.254 -2.229 1
1 1115 . 7 1 1 A 90 90 ALA HA H 90 3.873 5.422 -1.549 1
1 1119 . 7 1 1 A 90 90 ALA C C 90 177.042 174.035 3.007 1
1 1120 . 7 1 1 A 90 90 ALA CA C 90 54.869 55.595 -0.726 1
1 1121 . 7 1 1 A 90 90 ALA CB C 90 18.818 41.156 -22.338 1
1 1122 . 7 1 1 A 90 90 ALA N N 90 118.713 127.866 -9.153 1
1 1123 . 7 1 1 A 91 91 ASP H H 91 8.310 8.665 -0.355 1
1 1124 . 7 1 1 A 91 91 ASP HA H 91 4.415 4.841 -0.426 1
1 1127 . 7 1 1 A 91 91 ASP C C 91 176.371 171.438 4.933 1
1 1128 . 7 1 1 A 91 91 ASP CA C 91 53.133 58.150 -5.017 1
1 1129 . 7 1 1 A 91 91 ASP CB C 91 39.673 72.515 -32.842 1
1 1130 . 7 1 1 A 91 91 ASP N N 91 113.050 121.550 -8.500 1
1 1132 . 7 1 1 A 92 92 ALA HA H 92 4.237 4.906 -0.669 1
1 1136 . 7 1 1 A 92 92 ALA C C 92 176.536 176.407 0.129 1
1 1137 . 7 1 1 A 92 92 ALA CA C 92 53.721 62.786 -9.065 1
1 1138 . 7 1 1 A 92 92 ALA CB C 92 19.774 32.524 -12.750 1
1 1139 . 7 1 1 A 92 92 ALA N N 92 124.114 138.829 -14.715 1
1 1140 . 7 1 1 A 93 93 ASN H H 93 9.478 8.281 1.197 1
1 1141 . 7 1 1 A 93 93 ASN HA H 93 5.141 4.422 0.719 1
1 1146 . 7 1 1 A 93 93 ASN C C 93 173.906 175.240 -1.334 1
1 1147 . 7 1 1 A 93 93 ASN CA C 93 52.433 55.116 -2.683 1
1 1148 . 7 1 1 A 93 93 ASN CB C 93 38.547 27.219 11.328 1
1 1149 . 7 1 1 A 93 93 ASN N N 93 123.235 119.626 3.609 1
1 1151 . 7 1 1 A 94 94 LEU H H 94 8.675 8.692 -0.017 1
1 1152 . 7 1 1 A 94 94 LEU HA H 94 5.429 4.456 0.973 1
1 1162 . 7 1 1 A 94 94 LEU C C 94 175.486 175.182 0.304 1
1 1163 . 7 1 1 A 94 94 LEU CA C 94 53.003 58.641 -5.638 1
1 1164 . 7 1 1 A 94 94 LEU CB C 94 44.739 30.725 14.014 1
1 1168 . 7 1 1 A 94 94 LEU N N 94 122.901 123.478 -0.577 1
1 1169 . 7 1 1 A 95 95 LEU H H 95 9.412 7.953 1.459 1
1 1170 . 7 1 1 A 95 95 LEU HA H 95 5.388 4.623 0.765 1
1 1180 . 7 1 1 A 95 95 LEU C C 95 174.403 174.604 -0.201 1
1 1181 . 7 1 1 A 95 95 LEU CA C 95 53.155 55.353 -2.198 1
1 1182 . 7 1 1 A 95 95 LEU CB C 95 46.432 34.994 11.438 1
1 1186 . 7 1 1 A 95 95 LEU N N 95 126.034 117.107 8.927 1
1 3 . 8 1 1 A 1 1 GLY C C 1 173.950 174.678 -0.728 1
1 4 . 8 1 1 A 1 1 GLY CA C 1 45.289 58.126 -12.837 1
1 5 . 8 1 1 A 2 2 ILE H H 2 8.026 8.169 -0.143 1
1 6 . 8 1 1 A 2 2 ILE HA H 2 4.518 4.594 -0.076 1
1 16 . 8 1 1 A 2 2 ILE CA C 2 54.315 53.911 0.404 1
1 17 . 8 1 1 A 2 2 ILE CB C 2 41.381 44.008 -2.627 1
1 21 . 8 1 1 A 2 2 ILE N N 2 120.237 119.774 0.463 1
1 22 . 8 1 1 A 3 3 ASP H H 3 8.212 8.984 -0.772 1
1 25 . 8 1 1 A 3 3 ASP CB C 3 41.116 64.632 -23.516 1
1 26 . 8 1 1 A 3 3 ASP N N 3 126.816 123.091 3.725 1
1 27 . 8 1 1 A 4 4 PRO HA H 4 3.818 5.041 -1.223 1
1 28 . 8 1 1 A 4 4 PRO C C 4 176.930 173.333 3.597 1
1 29 . 8 1 1 A 4 4 PRO CA C 4 63.589 56.646 6.943 1
1 30 . 8 1 1 A 5 5 PHE H H 5 8.214 8.716 -0.502 1
1 33 . 8 1 1 A 5 5 PHE C C 5 176.204 173.808 2.396 1
1 34 . 8 1 1 A 5 5 PHE CA C 5 58.089 45.399 12.690 1
1 36 . 8 1 1 A 5 5 PHE N N 5 118.317 114.266 4.051 1
1 37 . 8 1 1 A 6 6 THR H H 6 7.789 7.469 0.320 1
1 38 . 8 1 1 A 6 6 THR HA H 6 4.268 4.495 -0.227 1
1 43 . 8 1 1 A 6 6 THR C C 6 174.096 176.354 -2.258 1
1 44 . 8 1 1 A 6 6 THR CA C 6 62.228 54.867 7.361 1
1 45 . 8 1 1 A 6 6 THR CB C 6 69.842 41.238 28.604 1
1 47 . 8 1 1 A 6 6 THR N N 6 114.242 121.882 -7.640 1
1 48 . 8 1 1 A 7 7 MET H H 7 8.077 8.564 -0.487 1
1 49 . 8 1 1 A 7 7 MET HA H 7 4.721 4.705 0.016 1
1 50 . 8 1 1 A 7 7 MET CA C 7 55.836 54.309 1.527 1
1 51 . 8 1 1 A 7 7 MET N N 7 121.684 127.990 -6.306 1
1 52 . 8 1 1 A 8 8 LEU H H 8 8.043 7.793 0.250 1
1 53 . 8 1 1 A 8 8 LEU HA H 8 4.322 3.978 0.344 1
1 60 . 8 1 1 A 8 8 LEU CA C 8 55.142 66.311 -11.169 1
1 63 . 8 1 1 A 8 8 LEU N N 8 122.622 114.926 7.696 1
1 64 . 8 1 1 A 9 9 SER H H 9 8.263 8.032 0.231 1
1 65 . 8 1 1 A 9 9 SER HA H 9 4.318 4.487 -0.169 1
1 68 . 8 1 1 A 9 9 SER CA C 9 58.256 59.344 -1.088 1
1 69 . 8 1 1 A 9 9 SER CB C 9 63.851 63.008 0.843 1
1 70 . 8 1 1 A 9 9 SER N N 9 116.455 116.277 0.178 1
1 71 . 8 1 1 A 10 10 SER H H 10 8.268 8.303 -0.035 1
1 72 . 8 1 1 A 10 10 SER HA H 10 4.418 4.443 -0.025 1
1 75 . 8 1 1 A 10 10 SER C C 10 175.142 176.276 -1.134 1
1 76 . 8 1 1 A 10 10 SER CA C 10 58.684 51.691 6.993 1
1 77 . 8 1 1 A 10 10 SER CB C 10 63.935 17.715 46.220 1
1 78 . 8 1 1 A 10 10 SER N N 10 117.758 129.679 -11.921 1
1 79 . 8 1 1 A 11 11 GLY H H 11 8.300 8.779 -0.479 1
1 82 . 8 1 1 A 11 11 GLY C C 11 176.844 173.275 3.569 1
1 83 . 8 1 1 A 11 11 GLY CA C 11 45.340 56.830 -11.490 1
1 84 . 8 1 1 A 11 11 GLY N N 11 110.621 119.017 -8.396 1
1 85 . 8 1 1 A 12 12 ASP H H 12 8.095 8.613 -0.518 1
1 86 . 8 1 1 A 12 12 ASP HA H 12 4.520 5.717 -1.197 1
1 89 . 8 1 1 A 12 12 ASP C C 12 176.422 173.915 2.507 1
1 90 . 8 1 1 A 12 12 ASP CA C 12 54.331 54.760 -0.429 1
1 91 . 8 1 1 A 12 12 ASP CB C 12 41.101 33.162 7.939 1
1 92 . 8 1 1 A 12 12 ASP N N 12 120.276 124.592 -4.316 1
1 93 . 8 1 1 A 13 13 LEU H H 13 8.259 8.788 -0.529 1
1 94 . 8 1 1 A 13 13 LEU HA H 13 4.326 5.015 -0.689 1
1 104 . 8 1 1 A 13 13 LEU C C 13 177.829 175.489 2.340 1
1 105 . 8 1 1 A 13 13 LEU CA C 13 55.426 55.784 -0.358 1
1 106 . 8 1 1 A 13 13 LEU CB C 13 42.043 30.315 11.728 1
1 110 . 8 1 1 A 13 13 LEU N N 13 122.645 120.436 2.209 1
1 111 . 8 1 1 A 14 14 THR H H 14 8.134 9.506 -1.372 1
1 112 . 8 1 1 A 14 14 THR HA H 14 4.265 5.253 -0.988 1
1 117 . 8 1 1 A 14 14 THR C C 14 174.821 175.068 -0.247 1
1 118 . 8 1 1 A 14 14 THR CA C 14 62.228 53.688 8.540 1
1 119 . 8 1 1 A 14 14 THR CB C 14 69.762 45.356 24.406 1
1 121 . 8 1 1 A 14 14 THR N N 14 114.338 126.939 -12.601 1
1 122 . 8 1 1 A 15 15 SER H H 15 8.181 8.871 -0.690 1
1 123 . 8 1 1 A 15 15 SER HA H 15 4.429 4.609 -0.180 1
1 126 . 8 1 1 A 15 15 SER C C 15 174.213 173.869 0.344 1
1 127 . 8 1 1 A 15 15 SER CA C 15 58.321 61.786 -3.465 1
1 128 . 8 1 1 A 15 15 SER CB C 15 63.826 32.502 31.324 1
1 129 . 8 1 1 A 15 15 SER N N 15 117.846 127.154 -9.308 1
1 130 . 8 1 1 A 16 16 ALA H H 16 8.284 9.532 -1.248 1
1 131 . 8 1 1 A 16 16 ALA HA H 16 4.395 4.605 -0.210 1
1 135 . 8 1 1 A 16 16 ALA C C 16 177.160 175.169 1.991 1
1 136 . 8 1 1 A 16 16 ALA CA C 16 52.623 61.096 -8.473 1
1 137 . 8 1 1 A 16 16 ALA CB C 16 19.390 33.235 -13.845 1
1 138 . 8 1 1 A 16 16 ALA N N 16 126.207 130.979 -4.772 1
1 139 . 8 1 1 A 17 17 SER H H 17 8.035 9.048 -1.013 1
1 140 . 8 1 1 A 17 17 SER HA H 17 4.891 4.900 -0.009 1
1 143 . 8 1 1 A 17 17 SER C C 17 173.472 175.372 -1.900 1
1 144 . 8 1 1 A 17 17 SER CA C 17 57.547 56.127 1.420 1
1 145 . 8 1 1 A 17 17 SER CB C 17 65.420 30.963 34.457 1
1 146 . 8 1 1 A 17 17 SER N N 17 114.521 127.593 -13.072 1
1 147 . 8 1 1 A 18 18 TRP H H 18 8.523 9.252 -0.729 1
1 148 . 8 1 1 A 18 18 TRP HA H 18 4.787 4.725 0.062 1
1 157 . 8 1 1 A 18 18 TRP C C 18 173.910 174.172 -0.262 1
1 158 . 8 1 1 A 18 18 TRP CA C 18 55.331 61.979 -6.648 1
1 159 . 8 1 1 A 18 18 TRP CB C 18 30.044 32.351 -2.307 1
1 165 . 8 1 1 A 18 18 TRP N N 18 120.348 125.895 -5.547 1
1 167 . 8 1 1 A 19 19 GLU H H 19 8.542 9.178 -0.636 1
1 168 . 8 1 1 A 19 19 GLU HA H 19 4.957 4.932 0.025 1
1 173 . 8 1 1 A 19 19 GLU C C 19 175.089 174.743 0.346 1
1 174 . 8 1 1 A 19 19 GLU CA C 19 55.735 52.526 3.209 1
1 175 . 8 1 1 A 19 19 GLU CB C 19 31.683 42.618 -10.935 1
1 177 . 8 1 1 A 19 19 GLU N N 19 117.964 128.476 -10.512 1
1 178 . 8 1 1 A 20 20 LEU H H 20 8.813 8.407 0.406 1
1 179 . 8 1 1 A 20 20 LEU HA H 20 4.794 4.850 -0.056 1
1 189 . 8 1 1 A 20 20 LEU C C 20 174.656 175.188 -0.532 1
1 190 . 8 1 1 A 20 20 LEU CA C 20 53.195 54.412 -1.217 1
1 191 . 8 1 1 A 20 20 LEU CB C 20 46.182 27.980 18.202 1
1 195 . 8 1 1 A 20 20 LEU N N 20 125.925 125.542 0.383 1
1 196 . 8 1 1 A 21 21 VAL H H 21 8.827 8.372 0.455 1
1 197 . 8 1 1 A 21 21 VAL HA H 21 4.499 3.877 0.622 1
1 205 . 8 1 1 A 21 21 VAL C C 21 176.157 177.213 -1.056 1
1 206 . 8 1 1 A 21 21 VAL CA C 21 62.260 53.237 9.023 1
1 207 . 8 1 1 A 21 21 VAL CB C 21 31.627 17.573 14.054 1
1 210 . 8 1 1 A 21 21 VAL N N 21 127.297 126.746 0.551 1
1 211 . 8 1 1 A 22 22 VAL H H 22 9.178 7.912 1.266 1
1 212 . 8 1 1 A 22 22 VAL HA H 22 4.348 4.878 -0.530 1
1 220 . 8 1 1 A 22 22 VAL C C 22 175.253 176.572 -1.319 1
1 221 . 8 1 1 A 22 22 VAL CA C 22 60.925 52.759 8.166 1
1 222 . 8 1 1 A 22 22 VAL CB C 22 34.352 40.370 -6.018 1
1 225 . 8 1 1 A 22 22 VAL N N 22 129.937 113.158 16.779 1
1 226 . 8 1 1 A 23 23 ARG H H 23 8.104 8.622 -0.518 1
1 235 . 8 1 1 A 23 23 ARG C C 23 174.950 175.702 -0.752 1
1 236 . 8 1 1 A 23 23 ARG CA C 23 55.516 45.568 9.948 1
1 240 . 8 1 1 A 23 23 ARG N N 23 125.848 108.643 17.205 1
1 242 . 8 1 1 A 24 24 VAL H H 24 9.325 8.265 1.060 1
1 243 . 8 1 1 A 24 24 VAL HA H 24 5.011 4.237 0.774 1
1 251 . 8 1 1 A 24 24 VAL C C 24 175.449 176.323 -0.874 1
1 252 . 8 1 1 A 24 24 VAL CA C 24 61.634 58.126 3.508 1
1 253 . 8 1 1 A 24 24 VAL CB C 24 33.928 30.044 3.884 1
1 256 . 8 1 1 A 24 24 VAL N N 24 124.136 118.870 5.266 1
1 257 . 8 1 1 A 25 25 ASP H H 25 8.414 8.137 0.277 1
1 258 . 8 1 1 A 25 25 ASP HA H 25 5.220 4.587 0.633 1
1 261 . 8 1 1 A 25 25 ASP C C 25 176.671 174.580 2.091 1
1 262 . 8 1 1 A 25 25 ASP CA C 25 52.956 54.461 -1.505 1
1 263 . 8 1 1 A 25 25 ASP CB C 25 43.473 28.998 14.475 1
1 264 . 8 1 1 A 25 25 ASP N N 25 126.172 118.254 7.918 1
1 265 . 8 1 1 A 26 26 HIS H H 26 9.152 9.063 0.089 1
1 266 . 8 1 1 A 26 26 HIS HA H 26 4.542 5.488 -0.946 1
1 271 . 8 1 1 A 26 26 HIS C C 26 174.917 174.352 0.565 1
1 272 . 8 1 1 A 26 26 HIS CA C 26 56.700 54.285 2.415 1
1 273 . 8 1 1 A 26 26 HIS CB C 26 30.185 30.564 -0.379 1
1 276 . 8 1 1 A 26 26 HIS N N 26 124.402 125.718 -1.316 1
1 277 . 8 1 1 A 27 27 ALA H H 27 9.121 9.445 -0.324 1
1 278 . 8 1 1 A 27 27 ALA HA H 27 3.984 4.592 -0.608 1
1 282 . 8 1 1 A 27 27 ALA C C 27 176.927 173.734 3.193 1
1 283 . 8 1 1 A 27 27 ALA CA C 27 53.240 62.673 -9.433 1
1 284 . 8 1 1 A 27 27 ALA CB C 27 17.122 70.165 -53.043 1
1 285 . 8 1 1 A 27 27 ALA N N 27 121.895 122.626 -0.731 1
1 286 . 8 1 1 A 28 28 ASN H H 28 8.140 8.717 -0.577 1
1 287 . 8 1 1 A 28 28 ASN HA H 28 4.628 4.740 -0.112 1
1 292 . 8 1 1 A 28 28 ASN C C 28 176.389 175.474 0.915 1
1 293 . 8 1 1 A 28 28 ASN CA C 28 52.466 55.282 -2.816 1
1 294 . 8 1 1 A 28 28 ASN CB C 28 38.624 31.009 7.615 1
1 295 . 8 1 1 A 28 28 ASN N N 28 114.287 126.615 -12.328 1
1 297 . 8 1 1 A 29 29 GLY H H 29 8.254 9.089 -0.835 1
1 300 . 8 1 1 A 29 29 GLY C C 29 174.848 174.639 0.209 1
1 301 . 8 1 1 A 29 29 GLY CA C 29 45.354 60.161 -14.807 1
1 302 . 8 1 1 A 29 29 GLY N N 29 108.650 129.284 -20.634 1
1 303 . 8 1 1 A 30 30 GLU H H 30 7.860 8.978 -1.118 1
1 304 . 8 1 1 A 30 30 GLU HA H 30 4.267 5.122 -0.855 1
1 309 . 8 1 1 A 30 30 GLU C C 30 176.802 174.012 2.790 1
1 310 . 8 1 1 A 30 30 GLU CA C 30 56.348 62.054 -5.706 1
1 311 . 8 1 1 A 30 30 GLU CB C 30 30.460 69.141 -38.681 1
1 313 . 8 1 1 A 30 30 GLU N N 30 119.375 123.658 -4.283 1
1 314 . 8 1 1 A 31 31 GLN H H 31 8.280 9.198 -0.918 1
1 315 . 8 1 1 A 31 31 GLN HA H 31 4.222 4.913 -0.691 1
1 322 . 8 1 1 A 31 31 GLN C C 31 175.995 175.484 0.511 1
1 323 . 8 1 1 A 31 31 GLN CA C 31 55.917 53.176 2.741 1
1 324 . 8 1 1 A 31 31 GLN CB C 31 30.002 44.406 -14.404 1
1 326 . 8 1 1 A 31 31 GLN N N 31 120.036 127.953 -7.917 1
1 328 . 8 1 1 A 32 32 GLN H H 32 7.520 8.751 -1.231 1
1 329 . 8 1 1 A 32 32 GLN HA H 32 4.905 4.682 0.223 1
1 336 . 8 1 1 A 32 32 GLN C C 32 176.112 175.873 0.239 1
1 337 . 8 1 1 A 32 32 GLN CA C 32 56.211 55.464 0.747 1
1 338 . 8 1 1 A 32 32 GLN CB C 32 30.863 31.189 -0.326 1
1 340 . 8 1 1 A 32 32 GLN N N 32 123.146 124.365 -1.219 1
1 342 . 8 1 1 A 33 33 THR H H 33 8.533 8.875 -0.342 1
1 343 . 8 1 1 A 33 33 THR HA H 33 4.621 4.881 -0.260 1
1 348 . 8 1 1 A 33 33 THR C C 33 173.112 173.744 -0.632 1
1 349 . 8 1 1 A 33 33 THR CA C 33 61.506 58.672 2.834 1
1 350 . 8 1 1 A 33 33 THR CB C 33 71.605 35.428 36.177 1
1 352 . 8 1 1 A 33 33 THR N N 33 118.233 120.551 -2.318 1
1 353 . 8 1 1 A 34 34 GLU H H 34 8.711 8.617 0.094 1
1 354 . 8 1 1 A 34 34 GLU HA H 34 4.939 4.769 0.170 1
1 359 . 8 1 1 A 34 34 GLU C C 34 175.108 175.174 -0.066 1
1 360 . 8 1 1 A 34 34 GLU CA C 34 55.553 56.953 -1.400 1
1 361 . 8 1 1 A 34 34 GLU CB C 34 31.950 66.703 -34.753 1
1 363 . 8 1 1 A 34 34 GLU N N 34 124.692 118.128 6.564 1
1 364 . 8 1 1 A 35 35 ILE H H 35 9.115 8.980 0.135 1
1 375 . 8 1 1 A 35 35 ILE C C 35 174.282 174.565 -0.283 1
1 376 . 8 1 1 A 35 35 ILE CA C 35 59.057 47.187 11.870 1
1 381 . 8 1 1 A 35 35 ILE N N 35 127.113 112.229 14.884 1
1 382 . 8 1 1 A 36 36 THR H H 36 8.545 8.143 0.402 1
1 383 . 8 1 1 A 36 36 THR HA H 36 4.772 4.627 0.145 1
1 388 . 8 1 1 A 36 36 THR C C 36 174.054 176.051 -1.997 1
1 389 . 8 1 1 A 36 36 THR CA C 36 62.257 54.122 8.135 1
1 390 . 8 1 1 A 36 36 THR CB C 36 68.948 40.156 28.792 1
1 392 . 8 1 1 A 36 36 THR N N 36 123.057 117.269 5.788 1
1 393 . 8 1 1 A 37 37 LEU H H 37 9.161 7.482 1.679 1
1 394 . 8 1 1 A 37 37 LEU HA H 37 4.503 4.406 0.097 1
1 404 . 8 1 1 A 37 37 LEU C C 37 175.047 175.743 -0.696 1
1 405 . 8 1 1 A 37 37 LEU CA C 37 52.646 54.632 -1.986 1
1 406 . 8 1 1 A 37 37 LEU CB C 37 45.951 43.523 2.428 1
1 410 . 8 1 1 A 37 37 LEU N N 37 128.195 122.472 5.723 1
1 411 . 8 1 1 A 38 38 ARG H H 38 8.258 8.579 -0.321 1
1 412 . 8 1 1 A 38 38 ARG HA H 38 4.556 5.255 -0.699 1
1 420 . 8 1 1 A 38 38 ARG C C 38 175.726 176.554 -0.828 1
1 421 . 8 1 1 A 38 38 ARG CA C 38 55.701 54.919 0.782 1
1 422 . 8 1 1 A 38 38 ARG CB C 38 29.601 31.844 -2.243 1
1 425 . 8 1 1 A 38 38 ARG N N 38 122.992 120.991 2.001 1
1 427 . 8 1 1 A 39 39 VAL H H 39 8.635 9.273 -0.638 1
1 428 . 8 1 1 A 39 39 VAL HA H 39 4.358 3.583 0.775 1
1 436 . 8 1 1 A 39 39 VAL C C 39 172.241 178.612 -6.371 1
1 437 . 8 1 1 A 39 39 VAL CA C 39 58.334 65.163 -6.829 1
1 438 . 8 1 1 A 39 39 VAL CB C 39 35.214 37.855 -2.641 1
1 441 . 8 1 1 A 39 39 VAL N N 39 118.388 120.528 -2.140 1
1 442 . 8 1 1 A 40 40 SER H H 40 6.388 8.518 -2.130 1
1 446 . 8 1 1 A 40 40 SER C C 40 175.046 176.968 -1.922 1
1 447 . 8 1 1 A 40 40 SER CA C 40 56.216 47.320 8.896 1
1 449 . 8 1 1 A 40 40 SER N N 40 108.799 108.684 0.115 1
1 450 . 8 1 1 A 41 41 GLY H H 41 9.085 8.064 1.021 1
1 451 . 8 1 1 A 41 41 GLY HA2 H 41 3.850 3.267 0.583 1
1 452 . 8 1 1 A 41 41 GLY HA3 H 41 4.321 3.552 0.769 1
1 453 . 8 1 1 A 41 41 GLY C C 41 173.137 175.845 -2.708 1
1 454 . 8 1 1 A 41 41 GLY CA C 41 47.346 46.802 0.544 1
1 455 . 8 1 1 A 41 41 GLY N N 41 107.767 109.753 -1.986 1
1 456 . 8 1 1 A 42 42 ASP H H 42 7.994 7.689 0.305 1
1 457 . 8 1 1 A 42 42 ASP HA H 42 4.498 3.569 0.929 1
1 460 . 8 1 1 A 42 42 ASP C C 42 175.609 177.440 -1.831 1
1 461 . 8 1 1 A 42 42 ASP CA C 42 53.241 65.653 -12.412 1
1 462 . 8 1 1 A 42 42 ASP CB C 42 40.331 31.427 8.904 1
1 463 . 8 1 1 A 42 42 ASP N N 42 112.956 122.103 -9.147 1
1 464 . 8 1 1 A 43 43 LEU H H 43 7.431 8.172 -0.741 1
1 465 . 8 1 1 A 43 43 LEU HA H 43 4.210 3.503 0.707 1
1 475 . 8 1 1 A 43 43 LEU C C 43 175.552 178.085 -2.533 1
1 476 . 8 1 1 A 43 43 LEU CA C 43 55.199 58.748 -3.549 1
1 477 . 8 1 1 A 43 43 LEU CB C 43 42.398 32.897 9.501 1
1 481 . 8 1 1 A 43 43 LEU N N 43 123.293 117.403 5.890 1
1 482 . 8 1 1 A 44 44 HIS H H 44 8.405 7.787 0.618 1
1 483 . 8 1 1 A 44 44 HIS HA H 44 5.154 3.894 1.260 1
1 488 . 8 1 1 A 44 44 HIS C C 44 177.511 178.673 -1.162 1
1 489 . 8 1 1 A 44 44 HIS CA C 44 54.692 57.725 -3.033 1
1 490 . 8 1 1 A 44 44 HIS CB C 44 30.868 41.358 -10.490 1
1 493 . 8 1 1 A 44 44 HIS N N 44 121.975 120.727 1.248 1
1 494 . 8 1 1 A 45 45 ILE H H 45 8.628 8.239 0.389 1
1 495 . 8 1 1 A 45 45 ILE HA H 45 3.445 3.926 -0.481 1
1 505 . 8 1 1 A 45 45 ILE C C 45 179.116 178.760 0.356 1
1 506 . 8 1 1 A 45 45 ILE CA C 45 62.585 58.909 3.676 1
1 507 . 8 1 1 A 45 45 ILE CB C 45 35.492 31.442 4.050 1
1 511 . 8 1 1 A 45 45 ILE N N 45 124.304 118.623 5.681 1
1 512 . 8 1 1 A 46 46 GLY H H 46 9.792 7.687 2.105 1
1 515 . 8 1 1 A 46 46 GLY C C 46 175.742 179.031 -3.289 1
1 516 . 8 1 1 A 46 46 GLY CA C 46 46.812 57.871 -11.059 1
1 517 . 8 1 1 A 46 46 GLY N N 46 106.610 120.117 -13.507 1
1 518 . 8 1 1 A 47 47 GLY H H 47 6.761 7.452 -0.691 1
1 521 . 8 1 1 A 47 47 GLY C C 47 176.182 178.015 -1.833 1
1 522 . 8 1 1 A 47 47 GLY CA C 47 46.819 66.618 -19.799 1
1 523 . 8 1 1 A 47 47 GLY N N 47 109.580 117.803 -8.223 1
1 524 . 8 1 1 A 48 48 VAL H H 48 7.669 8.417 -0.748 1
1 525 . 8 1 1 A 48 48 VAL HA H 48 3.083 3.877 -0.794 1
1 533 . 8 1 1 A 48 48 VAL C C 48 176.849 178.578 -1.729 1
1 534 . 8 1 1 A 48 48 VAL CA C 48 66.775 59.696 7.079 1
1 535 . 8 1 1 A 48 48 VAL CB C 48 30.944 28.988 1.956 1
1 538 . 8 1 1 A 48 48 VAL N N 48 123.461 120.080 3.381 1
1 539 . 8 1 1 A 49 49 MET H H 49 7.632 8.164 -0.532 1
1 540 . 8 1 1 A 49 49 MET HA H 49 3.143 4.032 -0.889 1
1 548 . 8 1 1 A 49 49 MET C C 49 176.774 178.126 -1.352 1
1 549 . 8 1 1 A 49 49 MET CA C 49 59.972 58.574 1.398 1
1 550 . 8 1 1 A 49 49 MET CB C 49 33.142 28.405 4.737 1
1 553 . 8 1 1 A 49 49 MET N N 49 115.691 119.470 -3.779 1
1 554 . 8 1 1 A 50 50 LEU H H 50 7.535 8.004 -0.469 1
1 555 . 8 1 1 A 50 50 LEU HA H 50 3.821 4.217 -0.396 1
1 565 . 8 1 1 A 50 50 LEU C C 50 179.001 176.447 2.554 1
1 566 . 8 1 1 A 50 50 LEU CA C 50 57.910 59.383 -1.473 1
1 567 . 8 1 1 A 50 50 LEU CB C 50 41.821 32.897 8.924 1
1 571 . 8 1 1 A 50 50 LEU N N 50 117.445 118.260 -0.815 1
1 572 . 8 1 1 A 51 51 LYS H H 51 7.447 8.594 -1.147 1
1 573 . 8 1 1 A 51 51 LYS HA H 51 3.880 4.351 -0.471 1
1 582 . 8 1 1 A 51 51 LYS C C 51 178.975 174.081 4.894 1
1 583 . 8 1 1 A 51 51 LYS CA C 51 59.003 54.483 4.520 1
1 584 . 8 1 1 A 51 51 LYS CB C 51 32.890 37.897 -5.007 1
1 588 . 8 1 1 A 51 51 LYS N N 51 118.306 116.838 1.468 1
1 589 . 8 1 1 A 52 52 LEU H H 52 7.547 8.017 -0.470 1
1 590 . 8 1 1 A 52 52 LEU HA H 52 3.523 4.203 -0.680 1
1 600 . 8 1 1 A 52 52 LEU C C 52 177.676 175.646 2.030 1
1 601 . 8 1 1 A 52 52 LEU CA C 52 58.038 61.152 -3.114 1
1 602 . 8 1 1 A 52 52 LEU CB C 52 41.660 37.794 3.866 1
1 606 . 8 1 1 A 52 52 LEU N N 52 119.198 120.407 -1.209 1
1 607 . 8 1 1 A 53 53 VAL H H 53 7.368 8.770 -1.402 1
1 608 . 8 1 1 A 53 53 VAL HA H 53 2.469 4.660 -2.191 1
1 616 . 8 1 1 A 53 53 VAL C C 53 179.189 176.419 2.770 1
1 617 . 8 1 1 A 53 53 VAL CA C 53 66.706 51.710 14.996 1
1 618 . 8 1 1 A 53 53 VAL CB C 53 31.343 18.268 13.075 1
1 621 . 8 1 1 A 53 53 VAL N N 53 117.879 131.835 -13.956 1
1 622 . 8 1 1 A 54 54 GLU H H 54 7.966 8.282 -0.316 1
1 623 . 8 1 1 A 54 54 GLU HA H 54 3.865 4.816 -0.951 1
1 628 . 8 1 1 A 54 54 GLU C C 54 178.593 175.033 3.560 1
1 629 . 8 1 1 A 54 54 GLU CA C 54 58.935 53.940 4.995 1
1 630 . 8 1 1 A 54 54 GLU CB C 54 29.772 31.825 -2.053 1
1 632 . 8 1 1 A 54 54 GLU N N 54 119.295 122.093 -2.798 1
1 633 . 8 1 1 A 55 55 GLN H H 55 7.651 8.310 -0.659 1
1 634 . 8 1 1 A 55 55 GLN HA H 55 4.005 4.641 -0.636 1
1 641 . 8 1 1 A 55 55 GLN C C 55 177.512 175.048 2.464 1
1 642 . 8 1 1 A 55 55 GLN CA C 55 57.362 53.567 3.795 1
1 643 . 8 1 1 A 55 55 GLN CB C 55 28.938 38.810 -9.872 1
1 645 . 8 1 1 A 55 55 GLN N N 55 116.036 119.417 -3.381 1
1 647 . 8 1 1 A 56 56 MET H H 56 7.691 8.530 -0.839 1
1 648 . 8 1 1 A 56 56 MET HA H 56 4.316 4.947 -0.631 1
1 656 . 8 1 1 A 56 56 MET C C 56 176.572 176.839 -0.267 1
1 657 . 8 1 1 A 56 56 MET CA C 56 56.492 55.774 0.718 1
1 658 . 8 1 1 A 56 56 MET CB C 56 32.901 26.988 5.913 1
1 661 . 8 1 1 A 56 56 MET N N 56 117.664 126.779 -9.115 1
1 662 . 8 1 1 A 57 57 ASN H H 57 7.816 7.990 -0.174 1
1 663 . 8 1 1 A 57 57 ASN HA H 57 4.495 4.131 0.364 1
1 668 . 8 1 1 A 57 57 ASN C C 57 174.613 175.786 -1.173 1
1 669 . 8 1 1 A 57 57 ASN CA C 57 53.813 61.792 -7.979 1
1 670 . 8 1 1 A 57 57 ASN CB C 57 37.713 63.242 -25.529 1
1 671 . 8 1 1 A 57 57 ASN N N 57 115.864 119.817 -3.953 1
1 673 . 8 1 1 A 58 58 ILE H H 58 8.391 8.063 0.328 1
1 674 . 8 1 1 A 58 58 ILE HA H 58 4.284 4.487 -0.203 1
1 684 . 8 1 1 A 58 58 ILE C C 58 175.277 175.684 -0.407 1
1 685 . 8 1 1 A 58 58 ILE CA C 58 60.631 55.888 4.743 1
1 686 . 8 1 1 A 58 58 ILE CB C 58 41.470 41.308 0.162 1
1 690 . 8 1 1 A 58 58 ILE N N 58 117.760 117.276 0.484 1
1 691 . 8 1 1 A 59 59 ALA H H 59 8.438 8.049 0.389 1
1 692 . 8 1 1 A 59 59 ALA HA H 59 4.535 4.529 0.006 1
1 696 . 8 1 1 A 59 59 ALA C C 59 175.554 173.591 1.963 1
1 697 . 8 1 1 A 59 59 ALA CA C 59 51.604 58.416 -6.812 1
1 698 . 8 1 1 A 59 59 ALA CB C 59 17.256 36.448 -19.192 1
1 699 . 8 1 1 A 59 59 ALA N N 59 129.371 120.392 8.979 1
1 700 . 8 1 1 A 60 60 GLN H H 60 7.498 9.058 -1.560 1
1 701 . 8 1 1 A 60 60 GLN HA H 60 4.291 5.181 -0.890 1
1 708 . 8 1 1 A 60 60 GLN C C 60 172.908 175.338 -2.430 1
1 709 . 8 1 1 A 60 60 GLN CA C 60 53.492 51.724 1.768 1
1 710 . 8 1 1 A 60 60 GLN CB C 60 30.340 23.587 6.753 1
1 712 . 8 1 1 A 60 60 GLN N N 60 120.550 123.464 -2.914 1
1 714 . 8 1 1 A 61 61 ASP H H 61 8.086 8.818 -0.732 1
1 715 . 8 1 1 A 61 61 ASP HA H 61 4.622 5.309 -0.687 1
1 718 . 8 1 1 A 61 61 ASP C C 61 177.529 175.510 2.019 1
1 719 . 8 1 1 A 61 61 ASP CA C 61 53.520 54.216 -0.696 1
1 720 . 8 1 1 A 61 61 ASP CB C 61 40.493 44.832 -4.339 1
1 721 . 8 1 1 A 61 61 ASP N N 61 118.225 122.492 -4.267 1
1 722 . 8 1 1 A 62 62 TRP H H 62 8.999 9.440 -0.441 1
1 723 . 8 1 1 A 62 62 TRP HA H 62 4.578 5.352 -0.774 1
1 732 . 8 1 1 A 62 62 TRP C C 62 178.609 174.333 4.276 1
1 733 . 8 1 1 A 62 62 TRP CA C 62 57.200 54.587 2.613 1
1 734 . 8 1 1 A 62 62 TRP CB C 62 29.155 32.145 -2.990 1
1 740 . 8 1 1 A 62 62 TRP N N 62 129.134 128.047 1.087 1
1 742 . 8 1 1 A 63 63 SER H H 63 8.756 8.402 0.354 1
1 743 . 8 1 1 A 63 63 SER HA H 63 4.127 4.830 -0.703 1
1 746 . 8 1 1 A 63 63 SER C C 63 175.119 175.585 -0.466 1
1 747 . 8 1 1 A 63 63 SER CA C 63 62.933 55.901 7.032 1
1 748 . 8 1 1 A 63 63 SER CB C 63 63.120 29.571 33.549 1
1 749 . 8 1 1 A 63 63 SER N N 63 119.231 129.815 -10.584 1
1 750 . 8 1 1 A 64 64 ASP H H 64 9.095 8.790 0.305 1
1 751 . 8 1 1 A 64 64 ASP HA H 64 4.876 4.093 0.783 1
1 754 . 8 1 1 A 64 64 ASP C C 64 177.267 177.856 -0.589 1
1 755 . 8 1 1 A 64 64 ASP CA C 64 54.157 59.590 -5.433 1
1 756 . 8 1 1 A 64 64 ASP CB C 64 43.116 29.715 13.401 1
1 757 . 8 1 1 A 64 64 ASP N N 64 120.137 126.424 -6.287 1
1 758 . 8 1 1 A 65 65 TYR H H 65 7.991 8.516 -0.525 1
1 759 . 8 1 1 A 65 65 TYR HA H 65 4.151 4.156 -0.005 1
1 766 . 8 1 1 A 65 65 TYR C C 65 175.746 176.426 -0.680 1
1 767 . 8 1 1 A 65 65 TYR CA C 65 59.053 57.191 1.862 1
1 768 . 8 1 1 A 65 65 TYR CB C 65 38.836 28.406 10.430 1
1 773 . 8 1 1 A 65 65 TYR N N 65 121.458 116.744 4.714 1
1 774 . 8 1 1 A 66 66 ALA H H 66 8.698 7.062 1.636 1
1 775 . 8 1 1 A 66 66 ALA HA H 66 4.794 4.132 0.662 1
1 779 . 8 1 1 A 66 66 ALA C C 66 175.126 175.306 -0.180 1
1 780 . 8 1 1 A 66 66 ALA CA C 66 51.166 55.473 -4.307 1
1 781 . 8 1 1 A 66 66 ALA CB C 66 23.771 34.288 -10.517 1
1 782 . 8 1 1 A 66 66 ALA N N 66 122.944 116.395 6.549 1
1 783 . 8 1 1 A 67 67 LEU H H 67 9.131 7.809 1.322 1
1 784 . 8 1 1 A 67 67 LEU HA H 67 5.498 3.143 2.355 1
1 794 . 8 1 1 A 67 67 LEU C C 67 174.489 174.488 0.001 1
1 795 . 8 1 1 A 67 67 LEU CA C 67 53.987 56.351 -2.364 1
1 796 . 8 1 1 A 67 67 LEU CB C 67 44.080 28.066 16.014 1
1 800 . 8 1 1 A 67 67 LEU N N 67 118.646 116.449 2.197 1
1 801 . 8 1 1 A 68 68 TRP H H 68 9.934 6.185 3.749 1
1 802 . 8 1 1 A 68 68 TRP HA H 68 4.680 4.863 -0.183 1
1 811 . 8 1 1 A 68 68 TRP C C 68 174.148 172.373 1.775 1
1 812 . 8 1 1 A 68 68 TRP CA C 68 55.276 57.164 -1.888 1
1 813 . 8 1 1 A 68 68 TRP CB C 68 30.222 31.194 -0.972 1
1 819 . 8 1 1 A 68 68 TRP N N 68 126.978 113.986 12.992 1
1 821 . 8 1 1 A 69 69 TRP H H 69 8.507 8.834 -0.327 1
1 822 . 8 1 1 A 69 69 TRP HA H 69 5.060 5.567 -0.507 1
1 831 . 8 1 1 A 69 69 TRP C C 69 175.837 176.115 -0.278 1
1 832 . 8 1 1 A 69 69 TRP CA C 69 52.520 56.291 -3.771 1
1 833 . 8 1 1 A 69 69 TRP CB C 69 30.500 31.384 -0.884 1
1 839 . 8 1 1 A 69 69 TRP N N 69 129.756 123.103 6.653 1
1 841 . 8 1 1 A 70 70 GLU H H 70 8.917 9.553 -0.636 1
1 842 . 8 1 1 A 70 70 GLU HA H 70 3.817 4.408 -0.591 1
1 847 . 8 1 1 A 70 70 GLU C C 70 179.449 176.914 2.535 1
1 848 . 8 1 1 A 70 70 GLU CA C 70 60.208 54.741 5.467 1
1 849 . 8 1 1 A 70 70 GLU CB C 70 29.937 40.944 -11.007 1
1 851 . 8 1 1 A 70 70 GLU N N 70 126.517 126.516 0.001 1
1 852 . 8 1 1 A 71 71 GLN H H 71 8.515 8.020 0.495 1
1 853 . 8 1 1 A 71 71 GLN HA H 71 3.782 4.652 -0.870 1
1 860 . 8 1 1 A 71 71 GLN C C 71 177.266 176.933 0.333 1
1 861 . 8 1 1 A 71 71 GLN CA C 71 61.006 54.068 6.938 1
1 862 . 8 1 1 A 71 71 GLN CB C 71 27.451 42.400 -14.949 1
1 864 . 8 1 1 A 71 71 GLN N N 71 114.822 125.825 -11.003 1
1 866 . 8 1 1 A 72 72 LYS H H 72 5.086 7.431 -2.345 1
1 867 . 8 1 1 A 72 72 LYS HA H 72 3.719 4.410 -0.691 1
1 876 . 8 1 1 A 72 72 LYS C C 72 174.268 177.332 -3.064 1
1 877 . 8 1 1 A 72 72 LYS CA C 72 53.864 55.069 -1.205 1
1 878 . 8 1 1 A 72 72 LYS CB C 72 33.242 29.728 3.514 1
1 882 . 8 1 1 A 72 72 LYS N N 72 112.499 120.387 -7.888 1
1 883 . 8 1 1 A 73 73 ARG H H 73 7.402 8.049 -0.647 1
1 884 . 8 1 1 A 73 73 ARG HA H 73 2.800 4.152 -1.352 1
1 892 . 8 1 1 A 73 73 ARG C C 73 173.935 175.739 -1.804 1
1 893 . 8 1 1 A 73 73 ARG CA C 73 56.187 64.835 -8.648 1
1 894 . 8 1 1 A 73 73 ARG CB C 73 26.602 68.939 -42.337 1
1 897 . 8 1 1 A 73 73 ARG N N 73 118.477 113.314 5.163 1
1 899 . 8 1 1 A 74 74 CYS H H 74 6.242 7.607 -1.365 1
1 900 . 8 1 1 A 74 74 CYS HA H 74 4.671 4.537 0.134 1
1 903 . 8 1 1 A 74 74 CYS C C 74 171.332 174.983 -3.651 1
1 904 . 8 1 1 A 74 74 CYS CA C 74 54.443 56.945 -2.502 1
1 905 . 8 1 1 A 74 74 CYS CB C 74 31.599 29.705 1.894 1
1 906 . 8 1 1 A 74 74 CYS N N 74 110.705 118.778 -8.073 1
1 907 . 8 1 1 A 75 75 TRP H H 75 8.567 8.028 0.539 1
1 908 . 8 1 1 A 75 75 TRP HA H 75 5.414 4.975 0.439 1
1 917 . 8 1 1 A 75 75 TRP C C 75 177.638 176.613 1.025 1
1 918 . 8 1 1 A 75 75 TRP CA C 75 55.720 56.314 -0.594 1
1 919 . 8 1 1 A 75 75 TRP CB C 75 30.966 31.241 -0.275 1
1 925 . 8 1 1 A 75 75 TRP N N 75 120.876 120.333 0.543 1
1 927 . 8 1 1 A 76 76 LEU H H 76 9.181 8.860 0.321 1
1 928 . 8 1 1 A 76 76 LEU HA H 76 4.737 5.093 -0.356 1
1 938 . 8 1 1 A 76 76 LEU C C 76 175.745 176.335 -0.590 1
1 939 . 8 1 1 A 76 76 LEU CA C 76 53.729 60.562 -6.833 1
1 940 . 8 1 1 A 76 76 LEU CB C 76 40.810 71.474 -30.664 1
1 944 . 8 1 1 A 76 76 LEU N N 76 125.488 115.605 9.883 1
1 945 . 8 1 1 A 77 77 LEU H H 77 7.711 9.051 -1.340 1
1 946 . 8 1 1 A 77 77 LEU HA H 77 4.416 4.074 0.342 1
1 956 . 8 1 1 A 77 77 LEU C C 77 178.257 178.553 -0.296 1
1 957 . 8 1 1 A 77 77 LEU CA C 77 54.539 58.347 -3.808 1
1 958 . 8 1 1 A 77 77 LEU CB C 77 42.566 41.563 1.003 1
1 962 . 8 1 1 A 77 77 LEU N N 77 119.493 122.878 -3.385 1
1 963 . 8 1 1 A 78 78 LYS H H 78 8.173 8.023 0.150 1
1 964 . 8 1 1 A 78 78 LYS HA H 78 4.380 4.470 -0.090 1
1 973 . 8 1 1 A 78 78 LYS C C 78 177.029 179.113 -2.084 1
1 974 . 8 1 1 A 78 78 LYS CA C 78 54.048 57.211 -3.163 1
1 975 . 8 1 1 A 78 78 LYS CB C 78 28.755 40.147 -11.392 1
1 979 . 8 1 1 A 78 78 LYS N N 78 121.730 118.592 3.138 1
1 980 . 8 1 1 A 79 79 THR H H 79 7.812 7.760 0.052 1
1 981 . 8 1 1 A 79 79 THR HA H 79 3.677 4.073 -0.396 1
1 986 . 8 1 1 A 79 79 THR C C 79 175.193 179.022 -3.829 1
1 987 . 8 1 1 A 79 79 THR CA C 79 64.890 59.440 5.450 1
1 988 . 8 1 1 A 79 79 THR CB C 79 68.447 32.244 36.203 1
1 990 . 8 1 1 A 79 79 THR N N 79 114.142 120.870 -6.728 1
1 991 . 8 1 1 A 80 80 HIS H H 80 8.929 8.000 0.929 1
1 992 . 8 1 1 A 80 80 HIS HA H 80 4.759 4.766 -0.007 1
1 995 . 8 1 1 A 80 80 HIS C C 80 175.622 175.472 0.150 1
1 996 . 8 1 1 A 80 80 HIS CA C 80 56.078 59.781 -3.703 1
1 997 . 8 1 1 A 80 80 HIS CB C 80 29.927 28.075 1.852 1
1 998 . 8 1 1 A 80 80 HIS N N 80 117.372 115.377 1.995 1
1 999 . 8 1 1 A 81 81 TRP H H 81 8.544 8.396 0.148 1
1 1009 . 8 1 1 A 81 81 TRP C C 81 175.952 174.376 1.576 1
1 1010 . 8 1 1 A 81 81 TRP CA C 81 56.009 45.698 10.311 1
1 1017 . 8 1 1 A 81 81 TRP N N 81 122.512 108.935 13.577 1
1 1019 . 8 1 1 A 82 82 THR H H 82 7.587 7.583 0.004 1
1 1020 . 8 1 1 A 82 82 THR HA H 82 4.725 4.289 0.436 1
1 1025 . 8 1 1 A 82 82 THR C C 82 176.305 175.406 0.899 1
1 1026 . 8 1 1 A 82 82 THR CA C 82 60.250 60.652 -0.402 1
1 1027 . 8 1 1 A 82 82 THR CB C 82 70.601 32.200 38.401 1
1 1029 . 8 1 1 A 82 82 THR N N 82 109.728 121.651 -11.923 1
1 1030 . 8 1 1 A 83 83 LEU H H 83 8.354 8.254 0.100 1
1 1031 . 8 1 1 A 83 83 LEU HA H 83 3.798 4.184 -0.386 1
1 1040 . 8 1 1 A 83 83 LEU C C 83 179.461 176.776 2.685 1
1 1041 . 8 1 1 A 83 83 LEU CA C 83 59.442 53.105 6.337 1
1 1042 . 8 1 1 A 83 83 LEU CB C 83 40.758 29.920 10.838 1
1 1045 . 8 1 1 A 83 83 LEU N N 83 122.120 127.114 -4.994 1
1 1046 . 8 1 1 A 84 84 ASP H H 84 8.985 7.824 1.161 1
1 1047 . 8 1 1 A 84 84 ASP HA H 84 4.427 3.967 0.460 1
1 1050 . 8 1 1 A 84 84 ASP C C 84 179.464 177.796 1.668 1
1 1051 . 8 1 1 A 84 84 ASP CA C 84 57.459 54.530 2.929 1
1 1052 . 8 1 1 A 84 84 ASP CB C 84 40.243 18.227 22.016 1
1 1053 . 8 1 1 A 84 84 ASP N N 84 118.020 120.731 -2.711 1
1 1054 . 8 1 1 A 85 85 LYS H H 85 8.134 7.651 0.483 1
1 1055 . 8 1 1 A 85 85 LYS HA H 85 3.820 4.728 -0.908 1
1 1064 . 8 1 1 A 85 85 LYS C C 85 178.824 174.834 3.990 1
1 1065 . 8 1 1 A 85 85 LYS CA C 85 59.103 53.068 6.035 1
1 1066 . 8 1 1 A 85 85 LYS CB C 85 32.229 39.813 -7.584 1
1 1070 . 8 1 1 A 85 85 LYS N N 85 123.380 116.658 6.722 1
1 1071 . 8 1 1 A 86 86 CYS H H 86 8.083 7.529 0.554 1
1 1072 . 8 1 1 A 86 86 CYS HA H 86 4.439 4.907 -0.468 1
1 1075 . 8 1 1 A 86 86 CYS C C 86 174.621 176.000 -1.379 1
1 1076 . 8 1 1 A 86 86 CYS CA C 86 61.800 50.362 11.438 1
1 1077 . 8 1 1 A 86 86 CYS CB C 86 28.700 22.337 6.363 1
1 1078 . 8 1 1 A 86 86 CYS N N 86 113.734 124.005 -10.271 1
1 1079 . 8 1 1 A 87 87 GLY H H 87 7.904 8.916 -1.012 1
1 1082 . 8 1 1 A 87 87 GLY C C 87 174.471 174.494 -0.023 1
1 1083 . 8 1 1 A 87 87 GLY CA C 87 45.434 53.677 -8.243 1
1 1084 . 8 1 1 A 87 87 GLY N N 87 107.243 121.266 -14.023 1
1 1085 . 8 1 1 A 88 88 VAL H H 88 7.635 8.939 -1.304 1
1 1086 . 8 1 1 A 88 88 VAL HA H 88 3.165 5.232 -2.067 1
1 1094 . 8 1 1 A 88 88 VAL C C 88 173.926 174.163 -0.237 1
1 1095 . 8 1 1 A 88 88 VAL CA C 88 63.281 53.293 9.988 1
1 1096 . 8 1 1 A 88 88 VAL CB C 88 31.892 45.438 -13.546 1
1 1099 . 8 1 1 A 88 88 VAL N N 88 122.351 127.494 -5.143 1
1 1100 . 8 1 1 A 89 89 GLN H H 89 7.651 9.683 -2.032 1
1 1101 . 8 1 1 A 89 89 GLN HA H 89 3.946 5.646 -1.700 1
1 1108 . 8 1 1 A 89 89 GLN C C 89 175.629 174.618 1.011 1
1 1109 . 8 1 1 A 89 89 GLN CA C 89 53.861 52.704 1.157 1
1 1110 . 8 1 1 A 89 89 GLN CB C 89 31.010 46.343 -15.333 1
1 1112 . 8 1 1 A 89 89 GLN N N 89 125.820 128.834 -3.014 1
1 1114 . 8 1 1 A 90 90 ALA H H 90 7.025 9.534 -2.509 1
1 1115 . 8 1 1 A 90 90 ALA HA H 90 3.873 5.516 -1.643 1
1 1119 . 8 1 1 A 90 90 ALA C C 90 177.042 173.736 3.306 1
1 1120 . 8 1 1 A 90 90 ALA CA C 90 54.869 55.361 -0.492 1
1 1121 . 8 1 1 A 90 90 ALA CB C 90 18.818 42.078 -23.260 1
1 1122 . 8 1 1 A 90 90 ALA N N 90 118.713 127.334 -8.621 1
1 1123 . 8 1 1 A 91 91 ASP H H 91 8.310 8.472 -0.162 1
1 1124 . 8 1 1 A 91 91 ASP HA H 91 4.415 4.810 -0.395 1
1 1127 . 8 1 1 A 91 91 ASP C C 91 176.371 171.345 5.026 1
1 1128 . 8 1 1 A 91 91 ASP CA C 91 53.133 58.081 -4.948 1
1 1129 . 8 1 1 A 91 91 ASP CB C 91 39.673 72.509 -32.836 1
1 1130 . 8 1 1 A 91 91 ASP N N 91 113.050 121.540 -8.490 1
1 1132 . 8 1 1 A 92 92 ALA HA H 92 4.237 4.737 -0.500 1
1 1136 . 8 1 1 A 92 92 ALA C C 92 176.536 177.105 -0.569 1
1 1137 . 8 1 1 A 92 92 ALA CA C 92 53.721 63.026 -9.305 1
1 1138 . 8 1 1 A 92 92 ALA CB C 92 19.774 32.025 -12.251 1
1 1139 . 8 1 1 A 92 92 ALA N N 92 124.114 139.922 -15.808 1
1 1140 . 8 1 1 A 93 93 ASN H H 93 9.478 7.964 1.514 1
1 1141 . 8 1 1 A 93 93 ASN HA H 93 5.141 4.023 1.118 1
1 1146 . 8 1 1 A 93 93 ASN C C 93 173.906 175.641 -1.735 1
1 1147 . 8 1 1 A 93 93 ASN CA C 93 52.433 55.487 -3.054 1
1 1148 . 8 1 1 A 93 93 ASN CB C 93 38.547 27.496 11.051 1
1 1149 . 8 1 1 A 93 93 ASN N N 93 123.235 120.339 2.896 1
1 1151 . 8 1 1 A 94 94 LEU H H 94 8.675 7.686 0.989 1
1 1152 . 8 1 1 A 94 94 LEU HA H 94 5.429 4.522 0.907 1
1 1162 . 8 1 1 A 94 94 LEU C C 94 175.486 174.620 0.866 1
1 1163 . 8 1 1 A 94 94 LEU CA C 94 53.003 54.085 -1.082 1
1 1164 . 8 1 1 A 94 94 LEU CB C 94 44.739 28.027 16.712 1
1 1168 . 8 1 1 A 94 94 LEU N N 94 122.901 121.133 1.768 1
1 1169 . 8 1 1 A 95 95 LEU H H 95 9.412 8.159 1.253 1
1 1170 . 8 1 1 A 95 95 LEU HA H 95 5.388 4.300 1.088 1
1 1180 . 8 1 1 A 95 95 LEU C C 95 174.403 175.714 -1.311 1
1 1181 . 8 1 1 A 95 95 LEU CA C 95 53.155 55.430 -2.275 1
1 1182 . 8 1 1 A 95 95 LEU CB C 95 46.432 33.333 13.099 1
1 1186 . 8 1 1 A 95 95 LEU N N 95 126.034 125.473 0.561 1
1 3 . 9 1 1 A 1 1 GLY C C 1 173.950 177.430 -3.480 1
1 4 . 9 1 1 A 1 1 GLY CA C 1 45.289 55.743 -10.454 1
1 5 . 9 1 1 A 2 2 ILE H H 2 8.026 8.674 -0.648 1
1 6 . 9 1 1 A 2 2 ILE HA H 2 4.518 4.413 0.105 1
1 16 . 9 1 1 A 2 2 ILE CA C 2 54.315 55.136 -0.821 1
1 17 . 9 1 1 A 2 2 ILE CB C 2 41.381 41.751 -0.370 1
1 21 . 9 1 1 A 2 2 ILE N N 2 120.237 121.551 -1.314 1
1 22 . 9 1 1 A 3 3 ASP H H 3 8.212 8.162 0.050 1
1 25 . 9 1 1 A 3 3 ASP CB C 3 41.116 63.172 -22.056 1
1 26 . 9 1 1 A 3 3 ASP N N 3 126.816 117.423 9.393 1
1 27 . 9 1 1 A 4 4 PRO HA H 4 3.818 4.806 -0.988 1
1 28 . 9 1 1 A 4 4 PRO C C 4 176.930 173.712 3.218 1
1 29 . 9 1 1 A 4 4 PRO CA C 4 63.589 56.793 6.796 1
1 30 . 9 1 1 A 5 5 PHE H H 5 8.214 8.435 -0.221 1
1 33 . 9 1 1 A 5 5 PHE C C 5 176.204 173.417 2.787 1
1 34 . 9 1 1 A 5 5 PHE CA C 5 58.089 45.729 12.360 1
1 36 . 9 1 1 A 5 5 PHE N N 5 118.317 115.031 3.286 1
1 37 . 9 1 1 A 6 6 THR H H 6 7.789 8.119 -0.330 1
1 38 . 9 1 1 A 6 6 THR HA H 6 4.268 4.946 -0.678 1
1 43 . 9 1 1 A 6 6 THR C C 6 174.096 176.182 -2.086 1
1 44 . 9 1 1 A 6 6 THR CA C 6 62.228 55.319 6.909 1
1 45 . 9 1 1 A 6 6 THR CB C 6 69.842 41.753 28.089 1
1 47 . 9 1 1 A 6 6 THR N N 6 114.242 118.934 -4.692 1
1 48 . 9 1 1 A 7 7 MET H H 7 8.077 8.135 -0.058 1
1 49 . 9 1 1 A 7 7 MET HA H 7 4.721 3.949 0.772 1
1 50 . 9 1 1 A 7 7 MET CA C 7 55.836 56.393 -0.557 1
1 51 . 9 1 1 A 7 7 MET N N 7 121.684 120.421 1.263 1
1 52 . 9 1 1 A 8 8 LEU H H 8 8.043 8.842 -0.799 1
1 53 . 9 1 1 A 8 8 LEU HA H 8 4.322 4.453 -0.131 1
1 60 . 9 1 1 A 8 8 LEU CA C 8 55.142 64.083 -8.941 1
1 63 . 9 1 1 A 8 8 LEU N N 8 122.622 112.855 9.767 1
1 64 . 9 1 1 A 9 9 SER H H 9 8.263 8.207 0.056 1
1 65 . 9 1 1 A 9 9 SER HA H 9 4.318 4.211 0.107 1
1 68 . 9 1 1 A 9 9 SER CA C 9 58.256 59.440 -1.184 1
1 69 . 9 1 1 A 9 9 SER CB C 9 63.851 61.184 2.667 1
1 70 . 9 1 1 A 9 9 SER N N 9 116.455 114.010 2.445 1
1 71 . 9 1 1 A 10 10 SER H H 10 8.268 7.380 0.888 1
1 72 . 9 1 1 A 10 10 SER HA H 10 4.418 4.811 -0.393 1
1 75 . 9 1 1 A 10 10 SER C C 10 175.142 175.189 -0.047 1
1 76 . 9 1 1 A 10 10 SER CA C 10 58.684 51.620 7.064 1
1 77 . 9 1 1 A 10 10 SER CB C 10 63.935 23.077 40.858 1
1 78 . 9 1 1 A 10 10 SER N N 10 117.758 119.725 -1.967 1
1 79 . 9 1 1 A 11 11 GLY H H 11 8.300 8.498 -0.198 1
1 82 . 9 1 1 A 11 11 GLY C C 11 176.844 173.937 2.907 1
1 83 . 9 1 1 A 11 11 GLY CA C 11 45.340 57.651 -12.311 1
1 84 . 9 1 1 A 11 11 GLY N N 11 110.621 117.425 -6.804 1
1 85 . 9 1 1 A 12 12 ASP H H 12 8.095 8.525 -0.430 1
1 86 . 9 1 1 A 12 12 ASP HA H 12 4.520 5.640 -1.120 1
1 89 . 9 1 1 A 12 12 ASP C C 12 176.422 175.546 0.876 1
1 90 . 9 1 1 A 12 12 ASP CA C 12 54.331 54.507 -0.176 1
1 91 . 9 1 1 A 12 12 ASP CB C 12 41.101 32.656 8.445 1
1 92 . 9 1 1 A 12 12 ASP N N 12 120.276 125.141 -4.865 1
1 93 . 9 1 1 A 13 13 LEU H H 13 8.259 8.825 -0.566 1
1 94 . 9 1 1 A 13 13 LEU HA H 13 4.326 4.710 -0.384 1
1 104 . 9 1 1 A 13 13 LEU C C 13 177.829 175.435 2.394 1
1 105 . 9 1 1 A 13 13 LEU CA C 13 55.426 56.470 -1.044 1
1 106 . 9 1 1 A 13 13 LEU CB C 13 42.043 30.317 11.726 1
1 110 . 9 1 1 A 13 13 LEU N N 13 122.645 119.888 2.757 1
1 111 . 9 1 1 A 14 14 THR H H 14 8.134 9.481 -1.347 1
1 112 . 9 1 1 A 14 14 THR HA H 14 4.265 5.170 -0.905 1
1 117 . 9 1 1 A 14 14 THR C C 14 174.821 174.738 0.083 1
1 118 . 9 1 1 A 14 14 THR CA C 14 62.228 53.806 8.422 1
1 119 . 9 1 1 A 14 14 THR CB C 14 69.762 44.430 25.332 1
1 121 . 9 1 1 A 14 14 THR N N 14 114.338 127.906 -13.568 1
1 122 . 9 1 1 A 15 15 SER H H 15 8.181 8.872 -0.691 1
1 123 . 9 1 1 A 15 15 SER HA H 15 4.429 4.825 -0.396 1
1 126 . 9 1 1 A 15 15 SER C C 15 174.213 173.979 0.234 1
1 127 . 9 1 1 A 15 15 SER CA C 15 58.321 61.062 -2.741 1
1 128 . 9 1 1 A 15 15 SER CB C 15 63.826 32.899 30.927 1
1 129 . 9 1 1 A 15 15 SER N N 15 117.846 127.121 -9.275 1
1 130 . 9 1 1 A 16 16 ALA H H 16 8.284 9.565 -1.281 1
1 131 . 9 1 1 A 16 16 ALA HA H 16 4.395 5.098 -0.703 1
1 135 . 9 1 1 A 16 16 ALA C C 16 177.160 174.962 2.198 1
1 136 . 9 1 1 A 16 16 ALA CA C 16 52.623 61.012 -8.389 1
1 137 . 9 1 1 A 16 16 ALA CB C 16 19.390 33.307 -13.917 1
1 138 . 9 1 1 A 16 16 ALA N N 16 126.207 130.375 -4.168 1
1 139 . 9 1 1 A 17 17 SER H H 17 8.035 9.167 -1.132 1
1 140 . 9 1 1 A 17 17 SER HA H 17 4.891 5.251 -0.360 1
1 143 . 9 1 1 A 17 17 SER C C 17 173.472 175.235 -1.763 1
1 144 . 9 1 1 A 17 17 SER CA C 17 57.547 55.919 1.628 1
1 145 . 9 1 1 A 17 17 SER CB C 17 65.420 30.954 34.466 1
1 146 . 9 1 1 A 17 17 SER N N 17 114.521 127.747 -13.226 1
1 147 . 9 1 1 A 18 18 TRP H H 18 8.523 9.275 -0.752 1
1 148 . 9 1 1 A 18 18 TRP HA H 18 4.787 4.754 0.033 1
1 157 . 9 1 1 A 18 18 TRP C C 18 173.910 174.284 -0.374 1
1 158 . 9 1 1 A 18 18 TRP CA C 18 55.331 62.468 -7.137 1
1 159 . 9 1 1 A 18 18 TRP CB C 18 30.044 32.067 -2.023 1
1 165 . 9 1 1 A 18 18 TRP N N 18 120.348 125.958 -5.610 1
1 167 . 9 1 1 A 19 19 GLU H H 19 8.542 9.586 -1.044 1
1 168 . 9 1 1 A 19 19 GLU HA H 19 4.957 4.960 -0.003 1
1 173 . 9 1 1 A 19 19 GLU C C 19 175.089 175.118 -0.029 1
1 174 . 9 1 1 A 19 19 GLU CA C 19 55.735 52.404 3.331 1
1 175 . 9 1 1 A 19 19 GLU CB C 19 31.683 41.600 -9.917 1
1 177 . 9 1 1 A 19 19 GLU N N 19 117.964 128.559 -10.595 1
1 178 . 9 1 1 A 20 20 LEU H H 20 8.813 8.715 0.098 1
1 179 . 9 1 1 A 20 20 LEU HA H 20 4.794 4.753 0.041 1
1 189 . 9 1 1 A 20 20 LEU C C 20 174.656 177.029 -2.373 1
1 190 . 9 1 1 A 20 20 LEU CA C 20 53.195 56.558 -3.363 1
1 191 . 9 1 1 A 20 20 LEU CB C 20 46.182 30.723 15.459 1
1 195 . 9 1 1 A 20 20 LEU N N 20 125.925 124.693 1.232 1
1 196 . 9 1 1 A 21 21 VAL H H 21 8.827 8.592 0.235 1
1 197 . 9 1 1 A 21 21 VAL HA H 21 4.499 3.986 0.513 1
1 205 . 9 1 1 A 21 21 VAL C C 21 176.157 177.557 -1.400 1
1 206 . 9 1 1 A 21 21 VAL CA C 21 62.260 55.299 6.961 1
1 207 . 9 1 1 A 21 21 VAL CB C 21 31.627 18.903 12.724 1
1 210 . 9 1 1 A 21 21 VAL N N 21 127.297 123.894 3.403 1
1 211 . 9 1 1 A 22 22 VAL H H 22 9.178 7.966 1.212 1
1 212 . 9 1 1 A 22 22 VAL HA H 22 4.348 5.027 -0.679 1
1 220 . 9 1 1 A 22 22 VAL C C 22 175.253 175.525 -0.272 1
1 221 . 9 1 1 A 22 22 VAL CA C 22 60.925 52.115 8.810 1
1 222 . 9 1 1 A 22 22 VAL CB C 22 34.352 41.471 -7.119 1
1 225 . 9 1 1 A 22 22 VAL N N 22 129.937 113.672 16.265 1
1 226 . 9 1 1 A 23 23 ARG H H 23 8.104 8.705 -0.601 1
1 235 . 9 1 1 A 23 23 ARG C C 23 174.950 174.743 0.207 1
1 236 . 9 1 1 A 23 23 ARG CA C 23 55.516 44.955 10.561 1
1 240 . 9 1 1 A 23 23 ARG N N 23 125.848 110.078 15.770 1
1 242 . 9 1 1 A 24 24 VAL H H 24 9.325 8.466 0.859 1
1 243 . 9 1 1 A 24 24 VAL HA H 24 5.011 3.828 1.183 1
1 251 . 9 1 1 A 24 24 VAL C C 24 175.449 175.012 0.437 1
1 252 . 9 1 1 A 24 24 VAL CA C 24 61.634 57.320 4.314 1
1 253 . 9 1 1 A 24 24 VAL CB C 24 33.928 27.844 6.084 1
1 256 . 9 1 1 A 24 24 VAL N N 24 124.136 116.856 7.280 1
1 257 . 9 1 1 A 25 25 ASP H H 25 8.414 7.815 0.599 1
1 258 . 9 1 1 A 25 25 ASP HA H 25 5.220 4.868 0.352 1
1 261 . 9 1 1 A 25 25 ASP C C 25 176.671 174.750 1.921 1
1 262 . 9 1 1 A 25 25 ASP CA C 25 52.956 54.551 -1.595 1
1 263 . 9 1 1 A 25 25 ASP CB C 25 43.473 30.258 13.215 1
1 264 . 9 1 1 A 25 25 ASP N N 25 126.172 117.666 8.506 1
1 265 . 9 1 1 A 26 26 HIS H H 26 9.152 8.763 0.389 1
1 266 . 9 1 1 A 26 26 HIS HA H 26 4.542 5.085 -0.543 1
1 271 . 9 1 1 A 26 26 HIS C C 26 174.917 174.694 0.223 1
1 272 . 9 1 1 A 26 26 HIS CA C 26 56.700 54.901 1.799 1
1 273 . 9 1 1 A 26 26 HIS CB C 26 30.185 28.683 1.502 1
1 276 . 9 1 1 A 26 26 HIS N N 26 124.402 123.463 0.939 1
1 277 . 9 1 1 A 27 27 ALA H H 27 9.121 8.763 0.358 1
1 278 . 9 1 1 A 27 27 ALA HA H 27 3.984 4.423 -0.439 1
1 282 . 9 1 1 A 27 27 ALA C C 27 176.927 174.213 2.714 1
1 283 . 9 1 1 A 27 27 ALA CA C 27 53.240 63.689 -10.449 1
1 284 . 9 1 1 A 27 27 ALA CB C 27 17.122 69.382 -52.260 1
1 285 . 9 1 1 A 27 27 ALA N N 27 121.895 121.437 0.458 1
1 286 . 9 1 1 A 28 28 ASN H H 28 8.140 8.601 -0.461 1
1 287 . 9 1 1 A 28 28 ASN HA H 28 4.628 4.673 -0.045 1
1 292 . 9 1 1 A 28 28 ASN C C 28 176.389 175.088 1.301 1
1 293 . 9 1 1 A 28 28 ASN CA C 28 52.466 55.780 -3.314 1
1 294 . 9 1 1 A 28 28 ASN CB C 28 38.624 29.967 8.657 1
1 295 . 9 1 1 A 28 28 ASN N N 28 114.287 126.927 -12.640 1
1 297 . 9 1 1 A 29 29 GLY H H 29 8.254 8.919 -0.665 1
1 300 . 9 1 1 A 29 29 GLY C C 29 174.848 175.366 -0.518 1
1 301 . 9 1 1 A 29 29 GLY CA C 29 45.354 59.972 -14.618 1
1 302 . 9 1 1 A 29 29 GLY N N 29 108.650 126.439 -17.789 1
1 303 . 9 1 1 A 30 30 GLU H H 30 7.860 9.067 -1.207 1
1 304 . 9 1 1 A 30 30 GLU HA H 30 4.267 4.936 -0.669 1
1 309 . 9 1 1 A 30 30 GLU C C 30 176.802 173.886 2.916 1
1 310 . 9 1 1 A 30 30 GLU CA C 30 56.348 61.931 -5.583 1
1 311 . 9 1 1 A 30 30 GLU CB C 30 30.460 69.104 -38.644 1
1 313 . 9 1 1 A 30 30 GLU N N 30 119.375 123.483 -4.108 1
1 314 . 9 1 1 A 31 31 GLN H H 31 8.280 9.117 -0.837 1
1 315 . 9 1 1 A 31 31 GLN HA H 31 4.222 5.006 -0.784 1
1 322 . 9 1 1 A 31 31 GLN C C 31 175.995 175.602 0.393 1
1 323 . 9 1 1 A 31 31 GLN CA C 31 55.917 53.135 2.782 1
1 324 . 9 1 1 A 31 31 GLN CB C 31 30.002 44.334 -14.332 1
1 326 . 9 1 1 A 31 31 GLN N N 31 120.036 127.602 -7.566 1
1 328 . 9 1 1 A 32 32 GLN H H 32 7.520 8.788 -1.268 1
1 329 . 9 1 1 A 32 32 GLN HA H 32 4.905 4.976 -0.071 1
1 336 . 9 1 1 A 32 32 GLN C C 32 176.112 175.609 0.503 1
1 337 . 9 1 1 A 32 32 GLN CA C 32 56.211 55.305 0.906 1
1 338 . 9 1 1 A 32 32 GLN CB C 32 30.863 31.168 -0.305 1
1 340 . 9 1 1 A 32 32 GLN N N 32 123.146 124.703 -1.557 1
1 342 . 9 1 1 A 33 33 THR H H 33 8.533 8.851 -0.318 1
1 343 . 9 1 1 A 33 33 THR HA H 33 4.621 4.805 -0.184 1
1 348 . 9 1 1 A 33 33 THR C C 33 173.112 173.084 0.028 1
1 349 . 9 1 1 A 33 33 THR CA C 33 61.506 58.629 2.877 1
1 350 . 9 1 1 A 33 33 THR CB C 33 71.605 35.288 36.317 1
1 352 . 9 1 1 A 33 33 THR N N 33 118.233 120.561 -2.328 1
1 353 . 9 1 1 A 34 34 GLU H H 34 8.711 8.451 0.260 1
1 354 . 9 1 1 A 34 34 GLU HA H 34 4.939 4.296 0.643 1
1 359 . 9 1 1 A 34 34 GLU C C 34 175.108 176.018 -0.910 1
1 360 . 9 1 1 A 34 34 GLU CA C 34 55.553 55.520 0.033 1
1 361 . 9 1 1 A 34 34 GLU CB C 34 31.950 65.551 -33.601 1
1 363 . 9 1 1 A 34 34 GLU N N 34 124.692 116.442 8.250 1
1 364 . 9 1 1 A 35 35 ILE H H 35 9.115 8.989 0.126 1
1 375 . 9 1 1 A 35 35 ILE C C 35 174.282 174.799 -0.517 1
1 376 . 9 1 1 A 35 35 ILE CA C 35 59.057 47.320 11.737 1
1 381 . 9 1 1 A 35 35 ILE N N 35 127.113 113.112 14.001 1
1 382 . 9 1 1 A 36 36 THR H H 36 8.545 8.164 0.381 1
1 383 . 9 1 1 A 36 36 THR HA H 36 4.772 4.577 0.195 1
1 388 . 9 1 1 A 36 36 THR C C 36 174.054 176.135 -2.081 1
1 389 . 9 1 1 A 36 36 THR CA C 36 62.257 54.870 7.387 1
1 390 . 9 1 1 A 36 36 THR CB C 36 68.948 39.850 29.098 1
1 392 . 9 1 1 A 36 36 THR N N 36 123.057 117.972 5.085 1
1 393 . 9 1 1 A 37 37 LEU H H 37 9.161 7.300 1.861 1
1 394 . 9 1 1 A 37 37 LEU HA H 37 4.503 4.310 0.193 1
1 404 . 9 1 1 A 37 37 LEU C C 37 175.047 175.866 -0.819 1
1 405 . 9 1 1 A 37 37 LEU CA C 37 52.646 55.300 -2.654 1
1 406 . 9 1 1 A 37 37 LEU CB C 37 45.951 42.996 2.955 1
1 410 . 9 1 1 A 37 37 LEU N N 37 128.195 122.345 5.850 1
1 411 . 9 1 1 A 38 38 ARG H H 38 8.258 8.839 -0.581 1
1 412 . 9 1 1 A 38 38 ARG HA H 38 4.556 5.094 -0.538 1
1 420 . 9 1 1 A 38 38 ARG C C 38 175.726 176.466 -0.740 1
1 421 . 9 1 1 A 38 38 ARG CA C 38 55.701 54.903 0.798 1
1 422 . 9 1 1 A 38 38 ARG CB C 38 29.601 31.720 -2.119 1
1 425 . 9 1 1 A 38 38 ARG N N 38 122.992 120.666 2.326 1
1 427 . 9 1 1 A 39 39 VAL H H 39 8.635 9.170 -0.535 1
1 428 . 9 1 1 A 39 39 VAL HA H 39 4.358 3.527 0.831 1
1 436 . 9 1 1 A 39 39 VAL C C 39 172.241 178.745 -6.504 1
1 437 . 9 1 1 A 39 39 VAL CA C 39 58.334 64.998 -6.664 1
1 438 . 9 1 1 A 39 39 VAL CB C 39 35.214 37.728 -2.514 1
1 441 . 9 1 1 A 39 39 VAL N N 39 118.388 120.487 -2.099 1
1 442 . 9 1 1 A 40 40 SER H H 40 6.388 8.474 -2.086 1
1 446 . 9 1 1 A 40 40 SER C C 40 175.046 176.698 -1.652 1
1 447 . 9 1 1 A 40 40 SER CA C 40 56.216 47.234 8.982 1
1 449 . 9 1 1 A 40 40 SER N N 40 108.799 108.287 0.512 1
1 450 . 9 1 1 A 41 41 GLY H H 41 9.085 7.736 1.349 1
1 451 . 9 1 1 A 41 41 GLY HA2 H 41 3.850 3.222 0.628 1
1 452 . 9 1 1 A 41 41 GLY HA3 H 41 4.321 3.495 0.826 1
1 453 . 9 1 1 A 41 41 GLY C C 41 173.137 175.963 -2.826 1
1 454 . 9 1 1 A 41 41 GLY CA C 41 47.346 46.502 0.844 1
1 455 . 9 1 1 A 41 41 GLY N N 41 107.767 109.295 -1.528 1
1 456 . 9 1 1 A 42 42 ASP H H 42 7.994 7.564 0.430 1
1 457 . 9 1 1 A 42 42 ASP HA H 42 4.498 3.544 0.954 1
1 460 . 9 1 1 A 42 42 ASP C C 42 175.609 177.447 -1.838 1
1 461 . 9 1 1 A 42 42 ASP CA C 42 53.241 65.618 -12.377 1
1 462 . 9 1 1 A 42 42 ASP CB C 42 40.331 31.529 8.802 1
1 463 . 9 1 1 A 42 42 ASP N N 42 112.956 121.638 -8.682 1
1 464 . 9 1 1 A 43 43 LEU H H 43 7.431 8.178 -0.747 1
1 465 . 9 1 1 A 43 43 LEU HA H 43 4.210 3.518 0.692 1
1 475 . 9 1 1 A 43 43 LEU C C 43 175.552 178.286 -2.734 1
1 476 . 9 1 1 A 43 43 LEU CA C 43 55.199 58.309 -3.110 1
1 477 . 9 1 1 A 43 43 LEU CB C 43 42.398 31.937 10.461 1
1 481 . 9 1 1 A 43 43 LEU N N 43 123.293 119.449 3.844 1
1 482 . 9 1 1 A 44 44 HIS H H 44 8.405 7.786 0.619 1
1 483 . 9 1 1 A 44 44 HIS HA H 44 5.154 3.932 1.222 1
1 488 . 9 1 1 A 44 44 HIS C C 44 177.511 178.617 -1.106 1
1 489 . 9 1 1 A 44 44 HIS CA C 44 54.692 57.749 -3.057 1
1 490 . 9 1 1 A 44 44 HIS CB C 44 30.868 41.861 -10.993 1
1 493 . 9 1 1 A 44 44 HIS N N 44 121.975 121.215 0.760 1
1 494 . 9 1 1 A 45 45 ILE H H 45 8.628 7.860 0.768 1
1 495 . 9 1 1 A 45 45 ILE HA H 45 3.445 3.871 -0.426 1
1 505 . 9 1 1 A 45 45 ILE C C 45 179.116 179.282 -0.166 1
1 506 . 9 1 1 A 45 45 ILE CA C 45 62.585 59.498 3.087 1
1 507 . 9 1 1 A 45 45 ILE CB C 45 35.492 31.944 3.548 1
1 511 . 9 1 1 A 45 45 ILE N N 45 124.304 118.990 5.314 1
1 512 . 9 1 1 A 46 46 GLY H H 46 9.792 7.875 1.917 1
1 515 . 9 1 1 A 46 46 GLY C C 46 175.742 178.848 -3.106 1
1 516 . 9 1 1 A 46 46 GLY CA C 46 46.812 58.068 -11.256 1
1 517 . 9 1 1 A 46 46 GLY N N 46 106.610 120.631 -14.021 1
1 518 . 9 1 1 A 47 47 GLY H H 47 6.761 7.783 -1.022 1
1 521 . 9 1 1 A 47 47 GLY C C 47 176.182 178.240 -2.058 1
1 522 . 9 1 1 A 47 47 GLY CA C 47 46.819 66.700 -19.881 1
1 523 . 9 1 1 A 47 47 GLY N N 47 109.580 118.042 -8.462 1
1 524 . 9 1 1 A 48 48 VAL H H 48 7.669 8.575 -0.906 1
1 525 . 9 1 1 A 48 48 VAL HA H 48 3.083 3.926 -0.843 1
1 533 . 9 1 1 A 48 48 VAL C C 48 176.849 178.698 -1.849 1
1 534 . 9 1 1 A 48 48 VAL CA C 48 66.775 59.361 7.414 1
1 535 . 9 1 1 A 48 48 VAL CB C 48 30.944 29.097 1.847 1
1 538 . 9 1 1 A 48 48 VAL N N 48 123.461 119.980 3.481 1
1 539 . 9 1 1 A 49 49 MET H H 49 7.632 7.825 -0.193 1
1 540 . 9 1 1 A 49 49 MET HA H 49 3.143 4.086 -0.943 1
1 548 . 9 1 1 A 49 49 MET C C 49 176.774 177.555 -0.781 1
1 549 . 9 1 1 A 49 49 MET CA C 49 59.972 58.693 1.279 1
1 550 . 9 1 1 A 49 49 MET CB C 49 33.142 28.580 4.562 1
1 553 . 9 1 1 A 49 49 MET N N 49 115.691 119.193 -3.502 1
1 554 . 9 1 1 A 50 50 LEU H H 50 7.535 7.612 -0.077 1
1 555 . 9 1 1 A 50 50 LEU HA H 50 3.821 4.577 -0.756 1
1 565 . 9 1 1 A 50 50 LEU C C 50 179.001 175.551 3.450 1
1 566 . 9 1 1 A 50 50 LEU CA C 50 57.910 56.573 1.337 1
1 567 . 9 1 1 A 50 50 LEU CB C 50 41.821 33.550 8.271 1
1 571 . 9 1 1 A 50 50 LEU N N 50 117.445 115.872 1.573 1
1 572 . 9 1 1 A 51 51 LYS H H 51 7.447 8.525 -1.078 1
1 573 . 9 1 1 A 51 51 LYS HA H 51 3.880 4.395 -0.515 1
1 582 . 9 1 1 A 51 51 LYS C C 51 178.975 173.980 4.995 1
1 583 . 9 1 1 A 51 51 LYS CA C 51 59.003 54.273 4.730 1
1 584 . 9 1 1 A 51 51 LYS CB C 51 32.890 36.847 -3.957 1
1 588 . 9 1 1 A 51 51 LYS N N 51 118.306 114.673 3.633 1
1 589 . 9 1 1 A 52 52 LEU H H 52 7.547 7.971 -0.424 1
1 590 . 9 1 1 A 52 52 LEU HA H 52 3.523 4.597 -1.074 1
1 600 . 9 1 1 A 52 52 LEU C C 52 177.676 175.282 2.394 1
1 601 . 9 1 1 A 52 52 LEU CA C 52 58.038 59.985 -1.947 1
1 602 . 9 1 1 A 52 52 LEU CB C 52 41.660 41.667 -0.007 1
1 606 . 9 1 1 A 52 52 LEU N N 52 119.198 119.390 -0.192 1
1 607 . 9 1 1 A 53 53 VAL H H 53 7.368 8.737 -1.369 1
1 608 . 9 1 1 A 53 53 VAL HA H 53 2.469 4.429 -1.960 1
1 616 . 9 1 1 A 53 53 VAL C C 53 179.189 176.533 2.656 1
1 617 . 9 1 1 A 53 53 VAL CA C 53 66.706 51.923 14.783 1
1 618 . 9 1 1 A 53 53 VAL CB C 53 31.343 17.525 13.818 1
1 621 . 9 1 1 A 53 53 VAL N N 53 117.879 130.963 -13.084 1
1 622 . 9 1 1 A 54 54 GLU H H 54 7.966 8.363 -0.397 1
1 623 . 9 1 1 A 54 54 GLU HA H 54 3.865 4.755 -0.890 1
1 628 . 9 1 1 A 54 54 GLU C C 54 178.593 173.508 5.085 1
1 629 . 9 1 1 A 54 54 GLU CA C 54 58.935 54.455 4.480 1
1 630 . 9 1 1 A 54 54 GLU CB C 54 29.772 31.942 -2.170 1
1 632 . 9 1 1 A 54 54 GLU N N 54 119.295 120.302 -1.007 1
1 633 . 9 1 1 A 55 55 GLN H H 55 7.651 8.513 -0.862 1
1 634 . 9 1 1 A 55 55 GLN HA H 55 4.005 4.762 -0.757 1
1 641 . 9 1 1 A 55 55 GLN C C 55 177.512 176.534 0.978 1
1 642 . 9 1 1 A 55 55 GLN CA C 55 57.362 52.619 4.743 1
1 643 . 9 1 1 A 55 55 GLN CB C 55 28.938 40.842 -11.904 1
1 645 . 9 1 1 A 55 55 GLN N N 55 116.036 120.641 -4.605 1
1 647 . 9 1 1 A 56 56 MET H H 56 7.691 8.647 -0.956 1
1 648 . 9 1 1 A 56 56 MET HA H 56 4.316 4.453 -0.137 1
1 656 . 9 1 1 A 56 56 MET C C 56 176.572 176.615 -0.043 1
1 657 . 9 1 1 A 56 56 MET CA C 56 56.492 58.465 -1.973 1
1 658 . 9 1 1 A 56 56 MET CB C 56 32.901 29.763 3.138 1
1 661 . 9 1 1 A 56 56 MET N N 56 117.664 125.437 -7.773 1
1 662 . 9 1 1 A 57 57 ASN H H 57 7.816 8.088 -0.272 1
1 663 . 9 1 1 A 57 57 ASN HA H 57 4.495 4.237 0.258 1
1 668 . 9 1 1 A 57 57 ASN C C 57 174.613 174.282 0.331 1
1 669 . 9 1 1 A 57 57 ASN CA C 57 53.813 60.825 -7.012 1
1 670 . 9 1 1 A 57 57 ASN CB C 57 37.713 61.954 -24.241 1
1 671 . 9 1 1 A 57 57 ASN N N 57 115.864 113.541 2.323 1
1 673 . 9 1 1 A 58 58 ILE H H 58 8.391 8.846 -0.455 1
1 674 . 9 1 1 A 58 58 ILE HA H 58 4.284 4.787 -0.503 1
1 684 . 9 1 1 A 58 58 ILE C C 58 175.277 175.780 -0.503 1
1 685 . 9 1 1 A 58 58 ILE CA C 58 60.631 52.906 7.725 1
1 686 . 9 1 1 A 58 58 ILE CB C 58 41.470 40.199 1.271 1
1 690 . 9 1 1 A 58 58 ILE N N 58 117.760 125.362 -7.602 1
1 691 . 9 1 1 A 59 59 ALA H H 59 8.438 7.950 0.488 1
1 692 . 9 1 1 A 59 59 ALA HA H 59 4.535 4.485 0.050 1
1 696 . 9 1 1 A 59 59 ALA C C 59 175.554 175.218 0.336 1
1 697 . 9 1 1 A 59 59 ALA CA C 59 51.604 59.917 -8.313 1
1 698 . 9 1 1 A 59 59 ALA CB C 59 17.256 39.256 -22.000 1
1 699 . 9 1 1 A 59 59 ALA N N 59 129.371 122.240 7.131 1
1 700 . 9 1 1 A 60 60 GLN H H 60 7.498 8.558 -1.060 1
1 701 . 9 1 1 A 60 60 GLN HA H 60 4.291 5.131 -0.840 1
1 708 . 9 1 1 A 60 60 GLN C C 60 172.908 176.018 -3.110 1
1 709 . 9 1 1 A 60 60 GLN CA C 60 53.492 51.444 2.048 1
1 710 . 9 1 1 A 60 60 GLN CB C 60 30.340 23.471 6.869 1
1 712 . 9 1 1 A 60 60 GLN N N 60 120.550 128.136 -7.586 1
1 714 . 9 1 1 A 61 61 ASP H H 61 8.086 8.814 -0.728 1
1 715 . 9 1 1 A 61 61 ASP HA H 61 4.622 5.293 -0.671 1
1 718 . 9 1 1 A 61 61 ASP C C 61 177.529 176.021 1.508 1
1 719 . 9 1 1 A 61 61 ASP CA C 61 53.520 54.404 -0.884 1
1 720 . 9 1 1 A 61 61 ASP CB C 61 40.493 43.234 -2.741 1
1 721 . 9 1 1 A 61 61 ASP N N 61 118.225 119.322 -1.097 1
1 722 . 9 1 1 A 62 62 TRP H H 62 8.999 9.560 -0.561 1
1 723 . 9 1 1 A 62 62 TRP HA H 62 4.578 5.376 -0.798 1
1 732 . 9 1 1 A 62 62 TRP C C 62 178.609 174.615 3.994 1
1 733 . 9 1 1 A 62 62 TRP CA C 62 57.200 54.186 3.014 1
1 734 . 9 1 1 A 62 62 TRP CB C 62 29.155 31.712 -2.557 1
1 740 . 9 1 1 A 62 62 TRP N N 62 129.134 126.410 2.724 1
1 742 . 9 1 1 A 63 63 SER H H 63 8.756 8.897 -0.141 1
1 743 . 9 1 1 A 63 63 SER HA H 63 4.127 4.663 -0.536 1
1 746 . 9 1 1 A 63 63 SER C C 63 175.119 175.832 -0.713 1
1 747 . 9 1 1 A 63 63 SER CA C 63 62.933 55.883 7.050 1
1 748 . 9 1 1 A 63 63 SER CB C 63 63.120 29.519 33.601 1
1 749 . 9 1 1 A 63 63 SER N N 63 119.231 129.597 -10.366 1
1 750 . 9 1 1 A 64 64 ASP H H 64 9.095 8.773 0.322 1
1 751 . 9 1 1 A 64 64 ASP HA H 64 4.876 3.989 0.887 1
1 754 . 9 1 1 A 64 64 ASP C C 64 177.267 178.260 -0.993 1
1 755 . 9 1 1 A 64 64 ASP CA C 64 54.157 59.575 -5.418 1
1 756 . 9 1 1 A 64 64 ASP CB C 64 43.116 29.551 13.565 1
1 757 . 9 1 1 A 64 64 ASP N N 64 120.137 125.938 -5.801 1
1 758 . 9 1 1 A 65 65 TYR H H 65 7.991 8.151 -0.160 1
1 759 . 9 1 1 A 65 65 TYR HA H 65 4.151 4.092 0.059 1
1 766 . 9 1 1 A 65 65 TYR C C 65 175.746 177.024 -1.278 1
1 767 . 9 1 1 A 65 65 TYR CA C 65 59.053 58.178 0.875 1
1 768 . 9 1 1 A 65 65 TYR CB C 65 38.836 28.572 10.264 1
1 773 . 9 1 1 A 65 65 TYR N N 65 121.458 119.021 2.437 1
1 774 . 9 1 1 A 66 66 ALA H H 66 8.698 7.126 1.572 1
1 775 . 9 1 1 A 66 66 ALA HA H 66 4.794 4.051 0.743 1
1 779 . 9 1 1 A 66 66 ALA C C 66 175.126 175.217 -0.091 1
1 780 . 9 1 1 A 66 66 ALA CA C 66 51.166 55.405 -4.239 1
1 781 . 9 1 1 A 66 66 ALA CB C 66 23.771 32.881 -9.110 1
1 782 . 9 1 1 A 66 66 ALA N N 66 122.944 116.866 6.078 1
1 783 . 9 1 1 A 67 67 LEU H H 67 9.131 7.433 1.698 1
1 784 . 9 1 1 A 67 67 LEU HA H 67 5.498 3.092 2.406 1
1 794 . 9 1 1 A 67 67 LEU C C 67 174.489 173.971 0.518 1
1 795 . 9 1 1 A 67 67 LEU CA C 67 53.987 56.572 -2.585 1
1 796 . 9 1 1 A 67 67 LEU CB C 67 44.080 27.147 16.933 1
1 800 . 9 1 1 A 67 67 LEU N N 67 118.646 116.048 2.598 1
1 801 . 9 1 1 A 68 68 TRP H H 68 9.934 6.281 3.653 1
1 802 . 9 1 1 A 68 68 TRP HA H 68 4.680 4.812 -0.132 1
1 811 . 9 1 1 A 68 68 TRP C C 68 174.148 172.536 1.612 1
1 812 . 9 1 1 A 68 68 TRP CA C 68 55.276 56.782 -1.506 1
1 813 . 9 1 1 A 68 68 TRP CB C 68 30.222 30.745 -0.523 1
1 819 . 9 1 1 A 68 68 TRP N N 68 126.978 112.647 14.331 1
1 821 . 9 1 1 A 69 69 TRP H H 69 8.507 8.873 -0.366 1
1 822 . 9 1 1 A 69 69 TRP HA H 69 5.060 5.390 -0.330 1
1 831 . 9 1 1 A 69 69 TRP C C 69 175.837 176.074 -0.237 1
1 832 . 9 1 1 A 69 69 TRP CA C 69 52.520 56.470 -3.950 1
1 833 . 9 1 1 A 69 69 TRP CB C 69 30.500 30.916 -0.416 1
1 839 . 9 1 1 A 69 69 TRP N N 69 129.756 123.259 6.497 1
1 841 . 9 1 1 A 70 70 GLU H H 70 8.917 9.544 -0.627 1
1 842 . 9 1 1 A 70 70 GLU HA H 70 3.817 4.573 -0.756 1
1 847 . 9 1 1 A 70 70 GLU C C 70 179.449 176.893 2.556 1
1 848 . 9 1 1 A 70 70 GLU CA C 70 60.208 54.481 5.727 1
1 849 . 9 1 1 A 70 70 GLU CB C 70 29.937 41.194 -11.257 1
1 851 . 9 1 1 A 70 70 GLU N N 70 126.517 126.064 0.453 1
1 852 . 9 1 1 A 71 71 GLN H H 71 8.515 8.435 0.080 1
1 853 . 9 1 1 A 71 71 GLN HA H 71 3.782 4.677 -0.895 1
1 860 . 9 1 1 A 71 71 GLN C C 71 177.266 177.010 0.256 1
1 861 . 9 1 1 A 71 71 GLN CA C 71 61.006 54.148 6.858 1
1 862 . 9 1 1 A 71 71 GLN CB C 71 27.451 41.827 -14.376 1
1 864 . 9 1 1 A 71 71 GLN N N 71 114.822 125.990 -11.168 1
1 866 . 9 1 1 A 72 72 LYS H H 72 5.086 7.489 -2.403 1
1 867 . 9 1 1 A 72 72 LYS HA H 72 3.719 4.298 -0.579 1
1 876 . 9 1 1 A 72 72 LYS C C 72 174.268 177.340 -3.072 1
1 877 . 9 1 1 A 72 72 LYS CA C 72 53.864 55.181 -1.317 1
1 878 . 9 1 1 A 72 72 LYS CB C 72 33.242 30.314 2.928 1
1 882 . 9 1 1 A 72 72 LYS N N 72 112.499 120.198 -7.699 1
1 883 . 9 1 1 A 73 73 ARG H H 73 7.402 7.873 -0.471 1
1 884 . 9 1 1 A 73 73 ARG HA H 73 2.800 4.141 -1.341 1
1 892 . 9 1 1 A 73 73 ARG C C 73 173.935 176.902 -2.967 1
1 893 . 9 1 1 A 73 73 ARG CA C 73 56.187 65.168 -8.981 1
1 894 . 9 1 1 A 73 73 ARG CB C 73 26.602 68.935 -42.333 1
1 897 . 9 1 1 A 73 73 ARG N N 73 118.477 113.300 5.177 1
1 899 . 9 1 1 A 74 74 CYS H H 74 6.242 7.890 -1.648 1
1 900 . 9 1 1 A 74 74 CYS HA H 74 4.671 4.380 0.291 1
1 903 . 9 1 1 A 74 74 CYS C C 74 171.332 175.705 -4.373 1
1 904 . 9 1 1 A 74 74 CYS CA C 74 54.443 57.748 -3.305 1
1 905 . 9 1 1 A 74 74 CYS CB C 74 31.599 30.662 0.937 1
1 906 . 9 1 1 A 74 74 CYS N N 74 110.705 121.951 -11.246 1
1 907 . 9 1 1 A 75 75 TRP H H 75 8.567 8.004 0.563 1
1 908 . 9 1 1 A 75 75 TRP HA H 75 5.414 4.722 0.692 1
1 917 . 9 1 1 A 75 75 TRP C C 75 177.638 176.552 1.086 1
1 918 . 9 1 1 A 75 75 TRP CA C 75 55.720 56.725 -1.005 1
1 919 . 9 1 1 A 75 75 TRP CB C 75 30.966 30.911 0.055 1
1 925 . 9 1 1 A 75 75 TRP N N 75 120.876 119.175 1.701 1
1 927 . 9 1 1 A 76 76 LEU H H 76 9.181 8.894 0.287 1
1 928 . 9 1 1 A 76 76 LEU HA H 76 4.737 4.951 -0.214 1
1 938 . 9 1 1 A 76 76 LEU C C 76 175.745 176.352 -0.607 1
1 939 . 9 1 1 A 76 76 LEU CA C 76 53.729 60.541 -6.812 1
1 940 . 9 1 1 A 76 76 LEU CB C 76 40.810 71.449 -30.639 1
1 944 . 9 1 1 A 76 76 LEU N N 76 125.488 114.701 10.787 1
1 945 . 9 1 1 A 77 77 LEU H H 77 7.711 9.303 -1.592 1
1 946 . 9 1 1 A 77 77 LEU HA H 77 4.416 4.044 0.372 1
1 956 . 9 1 1 A 77 77 LEU C C 77 178.257 178.848 -0.591 1
1 957 . 9 1 1 A 77 77 LEU CA C 77 54.539 58.138 -3.599 1
1 958 . 9 1 1 A 77 77 LEU CB C 77 42.566 41.573 0.993 1
1 962 . 9 1 1 A 77 77 LEU N N 77 119.493 122.958 -3.465 1
1 963 . 9 1 1 A 78 78 LYS H H 78 8.173 8.814 -0.641 1
1 964 . 9 1 1 A 78 78 LYS HA H 78 4.380 4.407 -0.027 1
1 973 . 9 1 1 A 78 78 LYS C C 78 177.029 178.422 -1.393 1
1 974 . 9 1 1 A 78 78 LYS CA C 78 54.048 57.487 -3.439 1
1 975 . 9 1 1 A 78 78 LYS CB C 78 28.755 40.952 -12.197 1
1 979 . 9 1 1 A 78 78 LYS N N 78 121.730 119.713 2.017 1
1 980 . 9 1 1 A 79 79 THR H H 79 7.812 7.877 -0.065 1
1 981 . 9 1 1 A 79 79 THR HA H 79 3.677 4.102 -0.425 1
1 986 . 9 1 1 A 79 79 THR C C 79 175.193 179.177 -3.984 1
1 987 . 9 1 1 A 79 79 THR CA C 79 64.890 59.542 5.348 1
1 988 . 9 1 1 A 79 79 THR CB C 79 68.447 32.173 36.274 1
1 990 . 9 1 1 A 79 79 THR N N 79 114.142 118.742 -4.600 1
1 991 . 9 1 1 A 80 80 HIS H H 80 8.929 8.184 0.745 1
1 992 . 9 1 1 A 80 80 HIS HA H 80 4.759 4.557 0.202 1
1 995 . 9 1 1 A 80 80 HIS C C 80 175.622 175.039 0.583 1
1 996 . 9 1 1 A 80 80 HIS CA C 80 56.078 60.729 -4.651 1
1 997 . 9 1 1 A 80 80 HIS CB C 80 29.927 28.204 1.723 1
1 998 . 9 1 1 A 80 80 HIS N N 80 117.372 116.557 0.815 1
1 999 . 9 1 1 A 81 81 TRP H H 81 8.544 8.365 0.179 1
1 1009 . 9 1 1 A 81 81 TRP C C 81 175.952 174.386 1.566 1
1 1010 . 9 1 1 A 81 81 TRP CA C 81 56.009 45.111 10.898 1
1 1017 . 9 1 1 A 81 81 TRP N N 81 122.512 108.149 14.363 1
1 1019 . 9 1 1 A 82 82 THR H H 82 7.587 7.767 -0.180 1
1 1020 . 9 1 1 A 82 82 THR HA H 82 4.725 3.998 0.727 1
1 1025 . 9 1 1 A 82 82 THR C C 82 176.305 174.449 1.856 1
1 1026 . 9 1 1 A 82 82 THR CA C 82 60.250 61.065 -0.815 1
1 1027 . 9 1 1 A 82 82 THR CB C 82 70.601 31.627 38.974 1
1 1029 . 9 1 1 A 82 82 THR N N 82 109.728 122.056 -12.328 1
1 1030 . 9 1 1 A 83 83 LEU H H 83 8.354 8.560 -0.206 1
1 1031 . 9 1 1 A 83 83 LEU HA H 83 3.798 3.911 -0.113 1
1 1040 . 9 1 1 A 83 83 LEU C C 83 179.461 176.247 3.214 1
1 1041 . 9 1 1 A 83 83 LEU CA C 83 59.442 53.563 5.879 1
1 1042 . 9 1 1 A 83 83 LEU CB C 83 40.758 30.920 9.838 1
1 1045 . 9 1 1 A 83 83 LEU N N 83 122.120 127.949 -5.829 1
1 1046 . 9 1 1 A 84 84 ASP H H 84 8.985 7.748 1.237 1
1 1047 . 9 1 1 A 84 84 ASP HA H 84 4.427 4.046 0.381 1
1 1050 . 9 1 1 A 84 84 ASP C C 84 179.464 178.557 0.907 1
1 1051 . 9 1 1 A 84 84 ASP CA C 84 57.459 55.014 2.445 1
1 1052 . 9 1 1 A 84 84 ASP CB C 84 40.243 18.148 22.095 1
1 1053 . 9 1 1 A 84 84 ASP N N 84 118.020 121.972 -3.952 1
1 1054 . 9 1 1 A 85 85 LYS H H 85 8.134 7.757 0.377 1
1 1055 . 9 1 1 A 85 85 LYS HA H 85 3.820 4.630 -0.810 1
1 1064 . 9 1 1 A 85 85 LYS C C 85 178.824 175.242 3.582 1
1 1065 . 9 1 1 A 85 85 LYS CA C 85 59.103 54.833 4.270 1
1 1066 . 9 1 1 A 85 85 LYS CB C 85 32.229 40.695 -8.466 1
1 1070 . 9 1 1 A 85 85 LYS N N 85 123.380 115.579 7.801 1
1 1071 . 9 1 1 A 86 86 CYS H H 86 8.083 7.362 0.721 1
1 1072 . 9 1 1 A 86 86 CYS HA H 86 4.439 4.666 -0.227 1
1 1075 . 9 1 1 A 86 86 CYS C C 86 174.621 176.869 -2.248 1
1 1076 . 9 1 1 A 86 86 CYS CA C 86 61.800 50.647 11.153 1
1 1077 . 9 1 1 A 86 86 CYS CB C 86 28.700 20.277 8.423 1
1 1078 . 9 1 1 A 86 86 CYS N N 86 113.734 122.304 -8.570 1
1 1079 . 9 1 1 A 87 87 GLY H H 87 7.904 8.755 -0.851 1
1 1082 . 9 1 1 A 87 87 GLY C C 87 174.471 174.572 -0.101 1
1 1083 . 9 1 1 A 87 87 GLY CA C 87 45.434 53.438 -8.004 1
1 1084 . 9 1 1 A 87 87 GLY N N 87 107.243 121.348 -14.105 1
1 1085 . 9 1 1 A 88 88 VAL H H 88 7.635 8.541 -0.906 1
1 1086 . 9 1 1 A 88 88 VAL HA H 88 3.165 5.271 -2.106 1
1 1094 . 9 1 1 A 88 88 VAL C C 88 173.926 174.152 -0.226 1
1 1095 . 9 1 1 A 88 88 VAL CA C 88 63.281 53.290 9.991 1
1 1096 . 9 1 1 A 88 88 VAL CB C 88 31.892 45.195 -13.303 1
1 1099 . 9 1 1 A 88 88 VAL N N 88 122.351 127.587 -5.236 1
1 1100 . 9 1 1 A 89 89 GLN H H 89 7.651 9.568 -1.917 1
1 1101 . 9 1 1 A 89 89 GLN HA H 89 3.946 5.339 -1.393 1
1 1108 . 9 1 1 A 89 89 GLN C C 89 175.629 174.651 0.978 1
1 1109 . 9 1 1 A 89 89 GLN CA C 89 53.861 52.823 1.038 1
1 1110 . 9 1 1 A 89 89 GLN CB C 89 31.010 45.590 -14.580 1
1 1112 . 9 1 1 A 89 89 GLN N N 89 125.820 128.740 -2.920 1
1 1114 . 9 1 1 A 90 90 ALA H H 90 7.025 9.575 -2.550 1
1 1115 . 9 1 1 A 90 90 ALA HA H 90 3.873 5.476 -1.603 1
1 1119 . 9 1 1 A 90 90 ALA C C 90 177.042 174.173 2.869 1
1 1120 . 9 1 1 A 90 90 ALA CA C 90 54.869 55.613 -0.744 1
1 1121 . 9 1 1 A 90 90 ALA CB C 90 18.818 41.304 -22.486 1
1 1122 . 9 1 1 A 90 90 ALA N N 90 118.713 127.686 -8.973 1
1 1123 . 9 1 1 A 91 91 ASP H H 91 8.310 8.665 -0.355 1
1 1124 . 9 1 1 A 91 91 ASP HA H 91 4.415 4.649 -0.234 1
1 1127 . 9 1 1 A 91 91 ASP C C 91 176.371 171.072 5.299 1
1 1128 . 9 1 1 A 91 91 ASP CA C 91 53.133 57.974 -4.841 1
1 1129 . 9 1 1 A 91 91 ASP CB C 91 39.673 72.608 -32.935 1
1 1130 . 9 1 1 A 91 91 ASP N N 91 113.050 121.483 -8.433 1
1 1132 . 9 1 1 A 92 92 ALA HA H 92 4.237 4.339 -0.102 1
1 1136 . 9 1 1 A 92 92 ALA C C 92 176.536 176.676 -0.140 1
1 1137 . 9 1 1 A 92 92 ALA CA C 92 53.721 62.247 -8.526 1
1 1138 . 9 1 1 A 92 92 ALA CB C 92 19.774 32.020 -12.246 1
1 1139 . 9 1 1 A 92 92 ALA N N 92 124.114 137.991 -13.877 1
1 1140 . 9 1 1 A 93 93 ASN H H 93 9.478 8.257 1.221 1
1 1141 . 9 1 1 A 93 93 ASN HA H 93 5.141 3.956 1.185 1
1 1146 . 9 1 1 A 93 93 ASN C C 93 173.906 177.483 -3.577 1
1 1147 . 9 1 1 A 93 93 ASN CA C 93 52.433 55.532 -3.099 1
1 1148 . 9 1 1 A 93 93 ASN CB C 93 38.547 27.612 10.935 1
1 1149 . 9 1 1 A 93 93 ASN N N 93 123.235 121.157 2.078 1
1 1151 . 9 1 1 A 94 94 LEU H H 94 8.675 7.722 0.953 1
1 1152 . 9 1 1 A 94 94 LEU HA H 94 5.429 4.134 1.295 1
1 1162 . 9 1 1 A 94 94 LEU C C 94 175.486 174.950 0.536 1
1 1163 . 9 1 1 A 94 94 LEU CA C 94 53.003 59.570 -6.567 1
1 1164 . 9 1 1 A 94 94 LEU CB C 94 44.739 29.933 14.806 1
1 1168 . 9 1 1 A 94 94 LEU N N 94 122.901 118.846 4.055 1
1 1169 . 9 1 1 A 95 95 LEU H H 95 9.412 7.986 1.426 1
1 1170 . 9 1 1 A 95 95 LEU HA H 95 5.388 4.209 1.179 1
1 1180 . 9 1 1 A 95 95 LEU C C 95 174.403 175.027 -0.624 1
1 1181 . 9 1 1 A 95 95 LEU CA C 95 53.155 57.075 -3.920 1
1 1182 . 9 1 1 A 95 95 LEU CB C 95 46.432 31.456 14.976 1
1 1186 . 9 1 1 A 95 95 LEU N N 95 126.034 116.977 9.057 1
1 3 . 10 1 1 A 1 1 GLY C C 1 173.950 176.124 -2.174 1
1 4 . 10 1 1 A 1 1 GLY CA C 1 45.289 57.626 -12.337 1
1 5 . 10 1 1 A 2 2 ILE H H 2 8.026 7.725 0.301 1
1 6 . 10 1 1 A 2 2 ILE HA H 2 4.518 4.100 0.418 1
1 16 . 10 1 1 A 2 2 ILE CA C 2 54.315 57.876 -3.561 1
1 17 . 10 1 1 A 2 2 ILE CB C 2 41.381 42.254 -0.873 1
1 21 . 10 1 1 A 2 2 ILE N N 2 120.237 120.790 -0.553 1
1 22 . 10 1 1 A 3 3 ASP H H 3 8.212 7.984 0.228 1
1 25 . 10 1 1 A 3 3 ASP CB C 3 41.116 65.259 -24.143 1
1 26 . 10 1 1 A 3 3 ASP N N 3 126.816 113.843 12.973 1
1 27 . 10 1 1 A 4 4 PRO HA H 4 3.818 4.719 -0.901 1
1 28 . 10 1 1 A 4 4 PRO C C 4 176.930 175.459 1.471 1
1 29 . 10 1 1 A 4 4 PRO CA C 4 63.589 58.634 4.955 1
1 30 . 10 1 1 A 5 5 PHE H H 5 8.214 7.847 0.367 1
1 33 . 10 1 1 A 5 5 PHE C C 5 176.204 173.663 2.541 1
1 34 . 10 1 1 A 5 5 PHE CA C 5 58.089 46.134 11.955 1
1 36 . 10 1 1 A 5 5 PHE N N 5 118.317 109.397 8.920 1
1 37 . 10 1 1 A 6 6 THR H H 6 7.789 8.136 -0.347 1
1 38 . 10 1 1 A 6 6 THR HA H 6 4.268 5.173 -0.905 1
1 43 . 10 1 1 A 6 6 THR C C 6 174.096 173.671 0.425 1
1 44 . 10 1 1 A 6 6 THR CA C 6 62.228 52.941 9.287 1
1 45 . 10 1 1 A 6 6 THR CB C 6 69.842 44.845 24.997 1
1 47 . 10 1 1 A 6 6 THR N N 6 114.242 118.702 -4.460 1
1 48 . 10 1 1 A 7 7 MET H H 7 8.077 8.537 -0.460 1
1 49 . 10 1 1 A 7 7 MET HA H 7 4.721 4.887 -0.166 1
1 50 . 10 1 1 A 7 7 MET CA C 7 55.836 53.800 2.036 1
1 51 . 10 1 1 A 7 7 MET N N 7 121.684 126.167 -4.483 1
1 52 . 10 1 1 A 8 8 LEU H H 8 8.043 8.870 -0.827 1
1 53 . 10 1 1 A 8 8 LEU HA H 8 4.322 5.170 -0.848 1
1 60 . 10 1 1 A 8 8 LEU CA C 8 55.142 59.725 -4.583 1
1 63 . 10 1 1 A 8 8 LEU N N 8 122.622 121.030 1.592 1
1 64 . 10 1 1 A 9 9 SER H H 9 8.263 9.243 -0.980 1
1 65 . 10 1 1 A 9 9 SER HA H 9 4.318 4.870 -0.552 1
1 68 . 10 1 1 A 9 9 SER CA C 9 58.256 58.945 -0.689 1
1 69 . 10 1 1 A 9 9 SER CB C 9 63.851 65.771 -1.920 1
1 70 . 10 1 1 A 9 9 SER N N 9 116.455 120.788 -4.333 1
1 71 . 10 1 1 A 10 10 SER H H 10 8.268 8.247 0.021 1
1 72 . 10 1 1 A 10 10 SER HA H 10 4.418 4.611 -0.193 1
1 75 . 10 1 1 A 10 10 SER C C 10 175.142 176.524 -1.382 1
1 76 . 10 1 1 A 10 10 SER CA C 10 58.684 52.151 6.533 1
1 77 . 10 1 1 A 10 10 SER CB C 10 63.935 19.541 44.394 1
1 78 . 10 1 1 A 10 10 SER N N 10 117.758 122.072 -4.314 1
1 79 . 10 1 1 A 11 11 GLY H H 11 8.300 7.886 0.414 1
1 82 . 10 1 1 A 11 11 GLY C C 11 176.844 172.345 4.499 1
1 83 . 10 1 1 A 11 11 GLY CA C 11 45.340 57.542 -12.202 1
1 84 . 10 1 1 A 11 11 GLY N N 11 110.621 111.595 -0.974 1
1 85 . 10 1 1 A 12 12 ASP H H 12 8.095 8.417 -0.322 1
1 86 . 10 1 1 A 12 12 ASP HA H 12 4.520 5.391 -0.871 1
1 89 . 10 1 1 A 12 12 ASP C C 12 176.422 173.860 2.562 1
1 90 . 10 1 1 A 12 12 ASP CA C 12 54.331 55.128 -0.797 1
1 91 . 10 1 1 A 12 12 ASP CB C 12 41.101 32.360 8.741 1
1 92 . 10 1 1 A 12 12 ASP N N 12 120.276 123.820 -3.544 1
1 93 . 10 1 1 A 13 13 LEU H H 13 8.259 8.620 -0.361 1
1 94 . 10 1 1 A 13 13 LEU HA H 13 4.326 4.713 -0.387 1
1 104 . 10 1 1 A 13 13 LEU C C 13 177.829 175.598 2.231 1
1 105 . 10 1 1 A 13 13 LEU CA C 13 55.426 56.095 -0.669 1
1 106 . 10 1 1 A 13 13 LEU CB C 13 42.043 30.241 11.802 1
1 110 . 10 1 1 A 13 13 LEU N N 13 122.645 120.504 2.141 1
1 111 . 10 1 1 A 14 14 THR H H 14 8.134 9.589 -1.455 1
1 112 . 10 1 1 A 14 14 THR HA H 14 4.265 5.241 -0.976 1
1 117 . 10 1 1 A 14 14 THR C C 14 174.821 174.825 -0.004 1
1 118 . 10 1 1 A 14 14 THR CA C 14 62.228 53.752 8.476 1
1 119 . 10 1 1 A 14 14 THR CB C 14 69.762 46.050 23.712 1
1 121 . 10 1 1 A 14 14 THR N N 14 114.338 126.530 -12.192 1
1 122 . 10 1 1 A 15 15 SER H H 15 8.181 8.854 -0.673 1
1 123 . 10 1 1 A 15 15 SER HA H 15 4.429 4.895 -0.466 1
1 126 . 10 1 1 A 15 15 SER C C 15 174.213 174.111 0.102 1
1 127 . 10 1 1 A 15 15 SER CA C 15 58.321 61.753 -3.432 1
1 128 . 10 1 1 A 15 15 SER CB C 15 63.826 32.648 31.178 1
1 129 . 10 1 1 A 15 15 SER N N 15 117.846 126.932 -9.086 1
1 130 . 10 1 1 A 16 16 ALA H H 16 8.284 9.723 -1.439 1
1 131 . 10 1 1 A 16 16 ALA HA H 16 4.395 4.664 -0.269 1
1 135 . 10 1 1 A 16 16 ALA C C 16 177.160 175.165 1.995 1
1 136 . 10 1 1 A 16 16 ALA CA C 16 52.623 60.939 -8.316 1
1 137 . 10 1 1 A 16 16 ALA CB C 16 19.390 34.229 -14.839 1
1 138 . 10 1 1 A 16 16 ALA N N 16 126.207 130.422 -4.215 1
1 139 . 10 1 1 A 17 17 SER H H 17 8.035 8.862 -0.827 1
1 140 . 10 1 1 A 17 17 SER HA H 17 4.891 4.768 0.123 1
1 143 . 10 1 1 A 17 17 SER C C 17 173.472 175.207 -1.735 1
1 144 . 10 1 1 A 17 17 SER CA C 17 57.547 55.960 1.587 1
1 145 . 10 1 1 A 17 17 SER CB C 17 65.420 30.987 34.433 1
1 146 . 10 1 1 A 17 17 SER N N 17 114.521 127.661 -13.140 1
1 147 . 10 1 1 A 18 18 TRP H H 18 8.523 9.480 -0.957 1
1 148 . 10 1 1 A 18 18 TRP HA H 18 4.787 4.957 -0.170 1
1 157 . 10 1 1 A 18 18 TRP C C 18 173.910 174.330 -0.420 1
1 158 . 10 1 1 A 18 18 TRP CA C 18 55.331 62.261 -6.930 1
1 159 . 10 1 1 A 18 18 TRP CB C 18 30.044 32.248 -2.204 1
1 165 . 10 1 1 A 18 18 TRP N N 18 120.348 126.082 -5.734 1
1 167 . 10 1 1 A 19 19 GLU H H 19 8.542 9.053 -0.511 1
1 168 . 10 1 1 A 19 19 GLU HA H 19 4.957 4.919 0.038 1
1 173 . 10 1 1 A 19 19 GLU C C 19 175.089 174.863 0.226 1
1 174 . 10 1 1 A 19 19 GLU CA C 19 55.735 52.440 3.295 1
1 175 . 10 1 1 A 19 19 GLU CB C 19 31.683 41.373 -9.690 1
1 177 . 10 1 1 A 19 19 GLU N N 19 117.964 128.675 -10.711 1
1 178 . 10 1 1 A 20 20 LEU H H 20 8.813 8.572 0.241 1
1 179 . 10 1 1 A 20 20 LEU HA H 20 4.794 4.808 -0.014 1
1 189 . 10 1 1 A 20 20 LEU C C 20 174.656 175.078 -0.422 1
1 190 . 10 1 1 A 20 20 LEU CA C 20 53.195 55.438 -2.243 1
1 191 . 10 1 1 A 20 20 LEU CB C 20 46.182 28.500 17.682 1
1 195 . 10 1 1 A 20 20 LEU N N 20 125.925 125.463 0.462 1
1 196 . 10 1 1 A 21 21 VAL H H 21 8.827 8.293 0.534 1
1 197 . 10 1 1 A 21 21 VAL HA H 21 4.499 3.962 0.537 1
1 205 . 10 1 1 A 21 21 VAL C C 21 176.157 178.409 -2.252 1
1 206 . 10 1 1 A 21 21 VAL CA C 21 62.260 53.414 8.846 1
1 207 . 10 1 1 A 21 21 VAL CB C 21 31.627 18.657 12.970 1
1 210 . 10 1 1 A 21 21 VAL N N 21 127.297 127.615 -0.318 1
1 211 . 10 1 1 A 22 22 VAL H H 22 9.178 8.981 0.197 1
1 212 . 10 1 1 A 22 22 VAL HA H 22 4.348 4.374 -0.026 1
1 220 . 10 1 1 A 22 22 VAL C C 22 175.253 174.467 0.786 1
1 221 . 10 1 1 A 22 22 VAL CA C 22 60.925 54.475 6.450 1
1 222 . 10 1 1 A 22 22 VAL CB C 22 34.352 38.066 -3.714 1
1 225 . 10 1 1 A 22 22 VAL N N 22 129.937 118.854 11.083 1
1 226 . 10 1 1 A 23 23 ARG H H 23 8.104 8.035 0.069 1
1 235 . 10 1 1 A 23 23 ARG C C 23 174.950 173.768 1.182 1
1 236 . 10 1 1 A 23 23 ARG CA C 23 55.516 44.365 11.151 1
1 240 . 10 1 1 A 23 23 ARG N N 23 125.848 108.554 17.294 1
1 242 . 10 1 1 A 24 24 VAL H H 24 9.325 8.366 0.959 1
1 243 . 10 1 1 A 24 24 VAL HA H 24 5.011 4.661 0.350 1
1 251 . 10 1 1 A 24 24 VAL C C 24 175.449 175.552 -0.103 1
1 252 . 10 1 1 A 24 24 VAL CA C 24 61.634 55.836 5.798 1
1 253 . 10 1 1 A 24 24 VAL CB C 24 33.928 31.293 2.635 1
1 256 . 10 1 1 A 24 24 VAL N N 24 124.136 116.897 7.239 1
1 257 . 10 1 1 A 25 25 ASP H H 25 8.414 7.443 0.971 1
1 258 . 10 1 1 A 25 25 ASP HA H 25 5.220 4.996 0.224 1
1 261 . 10 1 1 A 25 25 ASP C C 25 176.671 174.297 2.374 1
1 262 . 10 1 1 A 25 25 ASP CA C 25 52.956 54.182 -1.226 1
1 263 . 10 1 1 A 25 25 ASP CB C 25 43.473 32.379 11.094 1
1 264 . 10 1 1 A 25 25 ASP N N 25 126.172 120.595 5.577 1
1 265 . 10 1 1 A 26 26 HIS H H 26 9.152 8.693 0.459 1
1 266 . 10 1 1 A 26 26 HIS HA H 26 4.542 5.284 -0.742 1
1 271 . 10 1 1 A 26 26 HIS C C 26 174.917 174.890 0.027 1
1 272 . 10 1 1 A 26 26 HIS CA C 26 56.700 54.929 1.771 1
1 273 . 10 1 1 A 26 26 HIS CB C 26 30.185 30.222 -0.037 1
1 276 . 10 1 1 A 26 26 HIS N N 26 124.402 124.876 -0.474 1
1 277 . 10 1 1 A 27 27 ALA H H 27 9.121 9.044 0.077 1
1 278 . 10 1 1 A 27 27 ALA HA H 27 3.984 4.654 -0.670 1
1 282 . 10 1 1 A 27 27 ALA C C 27 176.927 174.009 2.918 1
1 283 . 10 1 1 A 27 27 ALA CA C 27 53.240 62.651 -9.411 1
1 284 . 10 1 1 A 27 27 ALA CB C 27 17.122 69.647 -52.525 1
1 285 . 10 1 1 A 27 27 ALA N N 27 121.895 121.731 0.164 1
1 286 . 10 1 1 A 28 28 ASN H H 28 8.140 8.958 -0.818 1
1 287 . 10 1 1 A 28 28 ASN HA H 28 4.628 4.913 -0.285 1
1 292 . 10 1 1 A 28 28 ASN C C 28 176.389 175.670 0.719 1
1 293 . 10 1 1 A 28 28 ASN CA C 28 52.466 55.557 -3.091 1
1 294 . 10 1 1 A 28 28 ASN CB C 28 38.624 30.513 8.111 1
1 295 . 10 1 1 A 28 28 ASN N N 28 114.287 126.117 -11.830 1
1 297 . 10 1 1 A 29 29 GLY H H 29 8.254 9.339 -1.085 1
1 300 . 10 1 1 A 29 29 GLY C C 29 174.848 174.607 0.241 1
1 301 . 10 1 1 A 29 29 GLY CA C 29 45.354 60.092 -14.738 1
1 302 . 10 1 1 A 29 29 GLY N N 29 108.650 127.282 -18.632 1
1 303 . 10 1 1 A 30 30 GLU H H 30 7.860 8.895 -1.035 1
1 304 . 10 1 1 A 30 30 GLU HA H 30 4.267 5.092 -0.825 1
1 309 . 10 1 1 A 30 30 GLU C C 30 176.802 173.832 2.970 1
1 310 . 10 1 1 A 30 30 GLU CA C 30 56.348 62.034 -5.686 1
1 311 . 10 1 1 A 30 30 GLU CB C 30 30.460 69.218 -38.758 1
1 313 . 10 1 1 A 30 30 GLU N N 30 119.375 123.589 -4.214 1
1 314 . 10 1 1 A 31 31 GLN H H 31 8.280 8.911 -0.631 1
1 315 . 10 1 1 A 31 31 GLN HA H 31 4.222 5.123 -0.901 1
1 322 . 10 1 1 A 31 31 GLN C C 31 175.995 175.312 0.683 1
1 323 . 10 1 1 A 31 31 GLN CA C 31 55.917 53.044 2.873 1
1 324 . 10 1 1 A 31 31 GLN CB C 31 30.002 44.557 -14.555 1
1 326 . 10 1 1 A 31 31 GLN N N 31 120.036 127.260 -7.224 1
1 328 . 10 1 1 A 32 32 GLN H H 32 7.520 8.855 -1.335 1
1 329 . 10 1 1 A 32 32 GLN HA H 32 4.905 4.882 0.023 1
1 336 . 10 1 1 A 32 32 GLN C C 32 176.112 175.649 0.463 1
1 337 . 10 1 1 A 32 32 GLN CA C 32 56.211 55.425 0.786 1
1 338 . 10 1 1 A 32 32 GLN CB C 32 30.863 31.258 -0.395 1
1 340 . 10 1 1 A 32 32 GLN N N 32 123.146 124.709 -1.563 1
1 342 . 10 1 1 A 33 33 THR H H 33 8.533 8.757 -0.224 1
1 343 . 10 1 1 A 33 33 THR HA H 33 4.621 4.655 -0.034 1
1 348 . 10 1 1 A 33 33 THR C C 33 173.112 174.591 -1.479 1
1 349 . 10 1 1 A 33 33 THR CA C 33 61.506 59.542 1.964 1
1 350 . 10 1 1 A 33 33 THR CB C 33 71.605 33.875 37.730 1
1 352 . 10 1 1 A 33 33 THR N N 33 118.233 122.000 -3.767 1
1 353 . 10 1 1 A 34 34 GLU H H 34 8.711 8.665 0.046 1
1 354 . 10 1 1 A 34 34 GLU HA H 34 4.939 4.672 0.267 1
1 359 . 10 1 1 A 34 34 GLU C C 34 175.108 176.005 -0.897 1
1 360 . 10 1 1 A 34 34 GLU CA C 34 55.553 57.227 -1.674 1
1 361 . 10 1 1 A 34 34 GLU CB C 34 31.950 64.846 -32.896 1
1 363 . 10 1 1 A 34 34 GLU N N 34 124.692 120.881 3.811 1
1 364 . 10 1 1 A 35 35 ILE H H 35 9.115 8.845 0.270 1
1 375 . 10 1 1 A 35 35 ILE C C 35 174.282 174.469 -0.187 1
1 376 . 10 1 1 A 35 35 ILE CA C 35 59.057 47.208 11.849 1
1 381 . 10 1 1 A 35 35 ILE N N 35 127.113 112.103 15.010 1
1 382 . 10 1 1 A 36 36 THR H H 36 8.545 7.906 0.639 1
1 383 . 10 1 1 A 36 36 THR HA H 36 4.772 4.757 0.015 1
1 388 . 10 1 1 A 36 36 THR C C 36 174.054 175.850 -1.796 1
1 389 . 10 1 1 A 36 36 THR CA C 36 62.257 54.354 7.903 1
1 390 . 10 1 1 A 36 36 THR CB C 36 68.948 41.412 27.536 1
1 392 . 10 1 1 A 36 36 THR N N 36 123.057 118.769 4.288 1
1 393 . 10 1 1 A 37 37 LEU H H 37 9.161 7.377 1.784 1
1 394 . 10 1 1 A 37 37 LEU HA H 37 4.503 4.632 -0.129 1
1 404 . 10 1 1 A 37 37 LEU C C 37 175.047 176.004 -0.957 1
1 405 . 10 1 1 A 37 37 LEU CA C 37 52.646 53.779 -1.133 1
1 406 . 10 1 1 A 37 37 LEU CB C 37 45.951 43.602 2.349 1
1 410 . 10 1 1 A 37 37 LEU N N 37 128.195 122.701 5.494 1
1 411 . 10 1 1 A 38 38 ARG H H 38 8.258 8.851 -0.593 1
1 412 . 10 1 1 A 38 38 ARG HA H 38 4.556 5.190 -0.634 1
1 420 . 10 1 1 A 38 38 ARG C C 38 175.726 176.407 -0.681 1
1 421 . 10 1 1 A 38 38 ARG CA C 38 55.701 55.209 0.492 1
1 422 . 10 1 1 A 38 38 ARG CB C 38 29.601 31.646 -2.045 1
1 425 . 10 1 1 A 38 38 ARG N N 38 122.992 121.526 1.466 1
1 427 . 10 1 1 A 39 39 VAL H H 39 8.635 9.514 -0.879 1
1 428 . 10 1 1 A 39 39 VAL HA H 39 4.358 3.532 0.826 1
1 436 . 10 1 1 A 39 39 VAL C C 39 172.241 178.271 -6.030 1
1 437 . 10 1 1 A 39 39 VAL CA C 39 58.334 65.163 -6.829 1
1 438 . 10 1 1 A 39 39 VAL CB C 39 35.214 38.003 -2.789 1
1 441 . 10 1 1 A 39 39 VAL N N 39 118.388 120.899 -2.511 1
1 442 . 10 1 1 A 40 40 SER H H 40 6.388 8.396 -2.008 1
1 446 . 10 1 1 A 40 40 SER C C 40 175.046 176.882 -1.836 1
1 447 . 10 1 1 A 40 40 SER CA C 40 56.216 47.270 8.946 1
1 449 . 10 1 1 A 40 40 SER N N 40 108.799 108.349 0.450 1
1 450 . 10 1 1 A 41 41 GLY H H 41 9.085 7.612 1.473 1
1 451 . 10 1 1 A 41 41 GLY HA2 H 41 3.850 3.251 0.599 1
1 452 . 10 1 1 A 41 41 GLY HA3 H 41 4.321 3.534 0.787 1
1 453 . 10 1 1 A 41 41 GLY C C 41 173.137 175.888 -2.751 1
1 454 . 10 1 1 A 41 41 GLY CA C 41 47.346 46.484 0.862 1
1 455 . 10 1 1 A 41 41 GLY N N 41 107.767 109.485 -1.718 1
1 456 . 10 1 1 A 42 42 ASP H H 42 7.994 7.538 0.456 1
1 457 . 10 1 1 A 42 42 ASP HA H 42 4.498 3.554 0.944 1
1 460 . 10 1 1 A 42 42 ASP C C 42 175.609 177.521 -1.912 1
1 461 . 10 1 1 A 42 42 ASP CA C 42 53.241 65.765 -12.524 1
1 462 . 10 1 1 A 42 42 ASP CB C 42 40.331 31.521 8.810 1
1 463 . 10 1 1 A 42 42 ASP N N 42 112.956 121.622 -8.666 1
1 464 . 10 1 1 A 43 43 LEU H H 43 7.431 8.300 -0.869 1
1 465 . 10 1 1 A 43 43 LEU HA H 43 4.210 3.518 0.692 1
1 475 . 10 1 1 A 43 43 LEU C C 43 175.552 178.252 -2.700 1
1 476 . 10 1 1 A 43 43 LEU CA C 43 55.199 58.981 -3.782 1
1 477 . 10 1 1 A 43 43 LEU CB C 43 42.398 32.921 9.477 1
1 481 . 10 1 1 A 43 43 LEU N N 43 123.293 117.540 5.753 1
1 482 . 10 1 1 A 44 44 HIS H H 44 8.405 7.959 0.446 1
1 483 . 10 1 1 A 44 44 HIS HA H 44 5.154 3.910 1.244 1
1 488 . 10 1 1 A 44 44 HIS C C 44 177.511 178.540 -1.029 1
1 489 . 10 1 1 A 44 44 HIS CA C 44 54.692 57.878 -3.186 1
1 490 . 10 1 1 A 44 44 HIS CB C 44 30.868 41.732 -10.864 1
1 493 . 10 1 1 A 44 44 HIS N N 44 121.975 120.755 1.220 1
1 494 . 10 1 1 A 45 45 ILE H H 45 8.628 7.648 0.980 1
1 495 . 10 1 1 A 45 45 ILE HA H 45 3.445 3.901 -0.456 1
1 505 . 10 1 1 A 45 45 ILE C C 45 179.116 178.816 0.300 1
1 506 . 10 1 1 A 45 45 ILE CA C 45 62.585 59.431 3.154 1
1 507 . 10 1 1 A 45 45 ILE CB C 45 35.492 31.803 3.689 1
1 511 . 10 1 1 A 45 45 ILE N N 45 124.304 118.816 5.488 1
1 512 . 10 1 1 A 46 46 GLY H H 46 9.792 7.731 2.061 1
1 515 . 10 1 1 A 46 46 GLY C C 46 175.742 178.880 -3.138 1
1 516 . 10 1 1 A 46 46 GLY CA C 46 46.812 57.895 -11.083 1
1 517 . 10 1 1 A 46 46 GLY N N 46 106.610 120.327 -13.717 1
1 518 . 10 1 1 A 47 47 GLY H H 47 6.761 7.495 -0.734 1
1 521 . 10 1 1 A 47 47 GLY C C 47 176.182 178.307 -2.125 1
1 522 . 10 1 1 A 47 47 GLY CA C 47 46.819 66.553 -19.734 1
1 523 . 10 1 1 A 47 47 GLY N N 47 109.580 117.513 -7.933 1
1 524 . 10 1 1 A 48 48 VAL H H 48 7.669 8.164 -0.495 1
1 525 . 10 1 1 A 48 48 VAL HA H 48 3.083 3.947 -0.864 1
1 533 . 10 1 1 A 48 48 VAL C C 48 176.849 178.354 -1.505 1
1 534 . 10 1 1 A 48 48 VAL CA C 48 66.775 59.013 7.762 1
1 535 . 10 1 1 A 48 48 VAL CB C 48 30.944 29.284 1.660 1
1 538 . 10 1 1 A 48 48 VAL N N 48 123.461 119.835 3.626 1
1 539 . 10 1 1 A 49 49 MET H H 49 7.632 8.214 -0.582 1
1 540 . 10 1 1 A 49 49 MET HA H 49 3.143 4.047 -0.904 1
1 548 . 10 1 1 A 49 49 MET C C 49 176.774 178.223 -1.449 1
1 549 . 10 1 1 A 49 49 MET CA C 49 59.972 58.594 1.378 1
1 550 . 10 1 1 A 49 49 MET CB C 49 33.142 28.572 4.570 1
1 553 . 10 1 1 A 49 49 MET N N 49 115.691 119.269 -3.578 1
1 554 . 10 1 1 A 50 50 LEU H H 50 7.535 7.628 -0.093 1
1 555 . 10 1 1 A 50 50 LEU HA H 50 3.821 4.446 -0.625 1
1 565 . 10 1 1 A 50 50 LEU C C 50 179.001 176.088 2.913 1
1 566 . 10 1 1 A 50 50 LEU CA C 50 57.910 58.693 -0.783 1
1 567 . 10 1 1 A 50 50 LEU CB C 50 41.821 32.385 9.436 1
1 571 . 10 1 1 A 50 50 LEU N N 50 117.445 117.986 -0.541 1
1 572 . 10 1 1 A 51 51 LYS H H 51 7.447 8.366 -0.919 1
1 573 . 10 1 1 A 51 51 LYS HA H 51 3.880 4.436 -0.556 1
1 582 . 10 1 1 A 51 51 LYS C C 51 178.975 174.111 4.864 1
1 583 . 10 1 1 A 51 51 LYS CA C 51 59.003 54.004 4.999 1
1 584 . 10 1 1 A 51 51 LYS CB C 51 32.890 37.009 -4.119 1
1 588 . 10 1 1 A 51 51 LYS N N 51 118.306 117.214 1.092 1
1 589 . 10 1 1 A 52 52 LEU H H 52 7.547 7.880 -0.333 1
1 590 . 10 1 1 A 52 52 LEU HA H 52 3.523 4.582 -1.059 1
1 600 . 10 1 1 A 52 52 LEU C C 52 177.676 174.697 2.979 1
1 601 . 10 1 1 A 52 52 LEU CA C 52 58.038 60.622 -2.584 1
1 602 . 10 1 1 A 52 52 LEU CB C 52 41.660 39.991 1.669 1
1 606 . 10 1 1 A 52 52 LEU N N 52 119.198 118.932 0.266 1
1 607 . 10 1 1 A 53 53 VAL H H 53 7.368 8.811 -1.443 1
1 608 . 10 1 1 A 53 53 VAL HA H 53 2.469 4.812 -2.343 1
1 616 . 10 1 1 A 53 53 VAL C C 53 179.189 176.509 2.680 1
1 617 . 10 1 1 A 53 53 VAL CA C 53 66.706 51.647 15.059 1
1 618 . 10 1 1 A 53 53 VAL CB C 53 31.343 19.310 12.033 1
1 621 . 10 1 1 A 53 53 VAL N N 53 117.879 131.590 -13.711 1
1 622 . 10 1 1 A 54 54 GLU H H 54 7.966 8.749 -0.783 1
1 623 . 10 1 1 A 54 54 GLU HA H 54 3.865 4.810 -0.945 1
1 628 . 10 1 1 A 54 54 GLU C C 54 178.593 172.814 5.779 1
1 629 . 10 1 1 A 54 54 GLU CA C 54 58.935 54.587 4.348 1
1 630 . 10 1 1 A 54 54 GLU CB C 54 29.772 31.398 -1.626 1
1 632 . 10 1 1 A 54 54 GLU N N 54 119.295 121.424 -2.129 1
1 633 . 10 1 1 A 55 55 GLN H H 55 7.651 8.668 -1.017 1
1 634 . 10 1 1 A 55 55 GLN HA H 55 4.005 4.784 -0.779 1
1 641 . 10 1 1 A 55 55 GLN C C 55 177.512 176.433 1.079 1
1 642 . 10 1 1 A 55 55 GLN CA C 55 57.362 53.404 3.958 1
1 643 . 10 1 1 A 55 55 GLN CB C 55 28.938 40.798 -11.860 1
1 645 . 10 1 1 A 55 55 GLN N N 55 116.036 120.899 -4.863 1
1 647 . 10 1 1 A 56 56 MET H H 56 7.691 8.868 -1.177 1
1 648 . 10 1 1 A 56 56 MET HA H 56 4.316 4.767 -0.451 1
1 656 . 10 1 1 A 56 56 MET C C 56 176.572 175.704 0.868 1
1 657 . 10 1 1 A 56 56 MET CA C 56 56.492 56.994 -0.502 1
1 658 . 10 1 1 A 56 56 MET CB C 56 32.901 29.838 3.063 1
1 661 . 10 1 1 A 56 56 MET N N 56 117.664 126.574 -8.910 1
1 662 . 10 1 1 A 57 57 ASN H H 57 7.816 8.307 -0.491 1
1 663 . 10 1 1 A 57 57 ASN HA H 57 4.495 4.093 0.402 1
1 668 . 10 1 1 A 57 57 ASN C C 57 174.613 173.346 1.267 1
1 669 . 10 1 1 A 57 57 ASN CA C 57 53.813 59.431 -5.618 1
1 670 . 10 1 1 A 57 57 ASN CB C 57 37.713 61.917 -24.204 1
1 671 . 10 1 1 A 57 57 ASN N N 57 115.864 114.309 1.555 1
1 673 . 10 1 1 A 58 58 ILE H H 58 8.391 8.647 -0.256 1
1 674 . 10 1 1 A 58 58 ILE HA H 58 4.284 4.262 0.022 1
1 684 . 10 1 1 A 58 58 ILE C C 58 175.277 175.047 0.230 1
1 685 . 10 1 1 A 58 58 ILE CA C 58 60.631 54.830 5.801 1
1 686 . 10 1 1 A 58 58 ILE CB C 58 41.470 39.174 2.296 1
1 690 . 10 1 1 A 58 58 ILE N N 58 117.760 118.661 -0.901 1
1 691 . 10 1 1 A 59 59 ALA H H 59 8.438 7.734 0.704 1
1 692 . 10 1 1 A 59 59 ALA HA H 59 4.535 4.713 -0.178 1
1 696 . 10 1 1 A 59 59 ALA C C 59 175.554 175.183 0.371 1
1 697 . 10 1 1 A 59 59 ALA CA C 59 51.604 57.533 -5.929 1
1 698 . 10 1 1 A 59 59 ALA CB C 59 17.256 39.707 -22.451 1
1 699 . 10 1 1 A 59 59 ALA N N 59 129.371 121.922 7.449 1
1 700 . 10 1 1 A 60 60 GLN H H 60 7.498 8.499 -1.001 1
1 701 . 10 1 1 A 60 60 GLN HA H 60 4.291 5.312 -1.021 1
1 708 . 10 1 1 A 60 60 GLN C C 60 172.908 174.976 -2.068 1
1 709 . 10 1 1 A 60 60 GLN CA C 60 53.492 51.095 2.397 1
1 710 . 10 1 1 A 60 60 GLN CB C 60 30.340 23.915 6.425 1
1 712 . 10 1 1 A 60 60 GLN N N 60 120.550 122.970 -2.420 1
1 714 . 10 1 1 A 61 61 ASP H H 61 8.086 8.810 -0.724 1
1 715 . 10 1 1 A 61 61 ASP HA H 61 4.622 5.226 -0.604 1
1 718 . 10 1 1 A 61 61 ASP C C 61 177.529 175.179 2.350 1
1 719 . 10 1 1 A 61 61 ASP CA C 61 53.520 54.047 -0.527 1
1 720 . 10 1 1 A 61 61 ASP CB C 61 40.493 44.683 -4.190 1
1 721 . 10 1 1 A 61 61 ASP N N 61 118.225 121.902 -3.677 1
1 722 . 10 1 1 A 62 62 TRP H H 62 8.999 9.443 -0.444 1
1 723 . 10 1 1 A 62 62 TRP HA H 62 4.578 5.290 -0.712 1
1 732 . 10 1 1 A 62 62 TRP C C 62 178.609 174.434 4.175 1
1 733 . 10 1 1 A 62 62 TRP CA C 62 57.200 54.609 2.591 1
1 734 . 10 1 1 A 62 62 TRP CB C 62 29.155 32.056 -2.901 1
1 740 . 10 1 1 A 62 62 TRP N N 62 129.134 128.507 0.627 1
1 742 . 10 1 1 A 63 63 SER H H 63 8.756 8.746 0.010 1
1 743 . 10 1 1 A 63 63 SER HA H 63 4.127 4.788 -0.661 1
1 746 . 10 1 1 A 63 63 SER C C 63 175.119 175.330 -0.211 1
1 747 . 10 1 1 A 63 63 SER CA C 63 62.933 55.804 7.129 1
1 748 . 10 1 1 A 63 63 SER CB C 63 63.120 29.733 33.387 1
1 749 . 10 1 1 A 63 63 SER N N 63 119.231 129.757 -10.526 1
1 750 . 10 1 1 A 64 64 ASP H H 64 9.095 8.324 0.771 1
1 751 . 10 1 1 A 64 64 ASP HA H 64 4.876 3.784 1.092 1
1 754 . 10 1 1 A 64 64 ASP C C 64 177.267 178.008 -0.741 1
1 755 . 10 1 1 A 64 64 ASP CA C 64 54.157 59.490 -5.333 1
1 756 . 10 1 1 A 64 64 ASP CB C 64 43.116 29.539 13.577 1
1 757 . 10 1 1 A 64 64 ASP N N 64 120.137 126.921 -6.784 1
1 758 . 10 1 1 A 65 65 TYR H H 65 7.991 8.340 -0.349 1
1 759 . 10 1 1 A 65 65 TYR HA H 65 4.151 4.180 -0.029 1
1 766 . 10 1 1 A 65 65 TYR C C 65 175.746 176.873 -1.127 1
1 767 . 10 1 1 A 65 65 TYR CA C 65 59.053 57.756 1.297 1
1 768 . 10 1 1 A 65 65 TYR CB C 65 38.836 28.425 10.411 1
1 773 . 10 1 1 A 65 65 TYR N N 65 121.458 118.610 2.848 1
1 774 . 10 1 1 A 66 66 ALA H H 66 8.698 7.189 1.509 1
1 775 . 10 1 1 A 66 66 ALA HA H 66 4.794 4.115 0.679 1
1 779 . 10 1 1 A 66 66 ALA C C 66 175.126 175.352 -0.226 1
1 780 . 10 1 1 A 66 66 ALA CA C 66 51.166 54.922 -3.756 1
1 781 . 10 1 1 A 66 66 ALA CB C 66 23.771 33.487 -9.716 1
1 782 . 10 1 1 A 66 66 ALA N N 66 122.944 116.568 6.376 1
1 783 . 10 1 1 A 67 67 LEU H H 67 9.131 7.306 1.825 1
1 784 . 10 1 1 A 67 67 LEU HA H 67 5.498 3.152 2.346 1
1 794 . 10 1 1 A 67 67 LEU C C 67 174.489 174.154 0.335 1
1 795 . 10 1 1 A 67 67 LEU CA C 67 53.987 56.659 -2.672 1
1 796 . 10 1 1 A 67 67 LEU CB C 67 44.080 27.962 16.118 1
1 800 . 10 1 1 A 67 67 LEU N N 67 118.646 116.358 2.288 1
1 801 . 10 1 1 A 68 68 TRP H H 68 9.934 6.656 3.278 1
1 802 . 10 1 1 A 68 68 TRP HA H 68 4.680 4.820 -0.140 1
1 811 . 10 1 1 A 68 68 TRP C C 68 174.148 173.010 1.138 1
1 812 . 10 1 1 A 68 68 TRP CA C 68 55.276 57.471 -2.195 1
1 813 . 10 1 1 A 68 68 TRP CB C 68 30.222 31.009 -0.787 1
1 819 . 10 1 1 A 68 68 TRP N N 68 126.978 115.896 11.082 1
1 821 . 10 1 1 A 69 69 TRP H H 69 8.507 8.958 -0.451 1
1 822 . 10 1 1 A 69 69 TRP HA H 69 5.060 5.487 -0.427 1
1 831 . 10 1 1 A 69 69 TRP C C 69 175.837 176.256 -0.419 1
1 832 . 10 1 1 A 69 69 TRP CA C 69 52.520 56.264 -3.744 1
1 833 . 10 1 1 A 69 69 TRP CB C 69 30.500 31.298 -0.798 1
1 839 . 10 1 1 A 69 69 TRP N N 69 129.756 124.822 4.934 1
1 841 . 10 1 1 A 70 70 GLU H H 70 8.917 9.445 -0.528 1
1 842 . 10 1 1 A 70 70 GLU HA H 70 3.817 4.406 -0.589 1
1 847 . 10 1 1 A 70 70 GLU C C 70 179.449 176.951 2.498 1
1 848 . 10 1 1 A 70 70 GLU CA C 70 60.208 54.779 5.429 1
1 849 . 10 1 1 A 70 70 GLU CB C 70 29.937 40.817 -10.880 1
1 851 . 10 1 1 A 70 70 GLU N N 70 126.517 126.113 0.404 1
1 852 . 10 1 1 A 71 71 GLN H H 71 8.515 8.110 0.405 1
1 853 . 10 1 1 A 71 71 GLN HA H 71 3.782 4.712 -0.930 1
1 860 . 10 1 1 A 71 71 GLN C C 71 177.266 176.967 0.299 1
1 861 . 10 1 1 A 71 71 GLN CA C 71 61.006 54.225 6.781 1
1 862 . 10 1 1 A 71 71 GLN CB C 71 27.451 42.223 -14.772 1
1 864 . 10 1 1 A 71 71 GLN N N 71 114.822 125.842 -11.020 1
1 866 . 10 1 1 A 72 72 LYS H H 72 5.086 7.451 -2.365 1
1 867 . 10 1 1 A 72 72 LYS HA H 72 3.719 4.464 -0.745 1
1 876 . 10 1 1 A 72 72 LYS C C 72 174.268 177.234 -2.966 1
1 877 . 10 1 1 A 72 72 LYS CA C 72 53.864 54.922 -1.058 1
1 878 . 10 1 1 A 72 72 LYS CB C 72 33.242 29.904 3.338 1
1 882 . 10 1 1 A 72 72 LYS N N 72 112.499 120.173 -7.674 1
1 883 . 10 1 1 A 73 73 ARG H H 73 7.402 7.784 -0.382 1
1 884 . 10 1 1 A 73 73 ARG HA H 73 2.800 4.101 -1.301 1
1 892 . 10 1 1 A 73 73 ARG C C 73 173.935 175.806 -1.871 1
1 893 . 10 1 1 A 73 73 ARG CA C 73 56.187 64.964 -8.777 1
1 894 . 10 1 1 A 73 73 ARG CB C 73 26.602 68.621 -42.019 1
1 897 . 10 1 1 A 73 73 ARG N N 73 118.477 113.079 5.398 1
1 899 . 10 1 1 A 74 74 CYS H H 74 6.242 7.773 -1.531 1
1 900 . 10 1 1 A 74 74 CYS HA H 74 4.671 4.540 0.131 1
1 903 . 10 1 1 A 74 74 CYS C C 74 171.332 175.517 -4.185 1
1 904 . 10 1 1 A 74 74 CYS CA C 74 54.443 57.996 -3.553 1
1 905 . 10 1 1 A 74 74 CYS CB C 74 31.599 30.251 1.348 1
1 906 . 10 1 1 A 74 74 CYS N N 74 110.705 118.774 -8.069 1
1 907 . 10 1 1 A 75 75 TRP H H 75 8.567 7.972 0.595 1
1 908 . 10 1 1 A 75 75 TRP HA H 75 5.414 4.736 0.678 1
1 917 . 10 1 1 A 75 75 TRP C C 75 177.638 176.578 1.060 1
1 918 . 10 1 1 A 75 75 TRP CA C 75 55.720 57.214 -1.494 1
1 919 . 10 1 1 A 75 75 TRP CB C 75 30.966 30.343 0.623 1
1 925 . 10 1 1 A 75 75 TRP N N 75 120.876 119.981 0.895 1
1 927 . 10 1 1 A 76 76 LEU H H 76 9.181 8.912 0.269 1
1 928 . 10 1 1 A 76 76 LEU HA H 76 4.737 5.056 -0.319 1
1 938 . 10 1 1 A 76 76 LEU C C 76 175.745 176.378 -0.633 1
1 939 . 10 1 1 A 76 76 LEU CA C 76 53.729 60.388 -6.659 1
1 940 . 10 1 1 A 76 76 LEU CB C 76 40.810 71.789 -30.979 1
1 944 . 10 1 1 A 76 76 LEU N N 76 125.488 114.980 10.508 1
1 945 . 10 1 1 A 77 77 LEU H H 77 7.711 8.767 -1.056 1
1 946 . 10 1 1 A 77 77 LEU HA H 77 4.416 4.120 0.296 1
1 956 . 10 1 1 A 77 77 LEU C C 77 178.257 178.870 -0.613 1
1 957 . 10 1 1 A 77 77 LEU CA C 77 54.539 58.322 -3.783 1
1 958 . 10 1 1 A 77 77 LEU CB C 77 42.566 41.711 0.855 1
1 962 . 10 1 1 A 77 77 LEU N N 77 119.493 122.800 -3.307 1
1 963 . 10 1 1 A 78 78 LYS H H 78 8.173 8.451 -0.278 1
1 964 . 10 1 1 A 78 78 LYS HA H 78 4.380 4.380 0.000 1
1 973 . 10 1 1 A 78 78 LYS C C 78 177.029 178.477 -1.448 1
1 974 . 10 1 1 A 78 78 LYS CA C 78 54.048 58.155 -4.107 1
1 975 . 10 1 1 A 78 78 LYS CB C 78 28.755 41.189 -12.434 1
1 979 . 10 1 1 A 78 78 LYS N N 78 121.730 118.971 2.759 1
1 980 . 10 1 1 A 79 79 THR H H 79 7.812 8.006 -0.194 1
1 981 . 10 1 1 A 79 79 THR HA H 79 3.677 4.044 -0.367 1
1 986 . 10 1 1 A 79 79 THR C C 79 175.193 179.023 -3.830 1
1 987 . 10 1 1 A 79 79 THR CA C 79 64.890 59.337 5.553 1
1 988 . 10 1 1 A 79 79 THR CB C 79 68.447 32.156 36.291 1
1 990 . 10 1 1 A 79 79 THR N N 79 114.142 119.503 -5.361 1
1 991 . 10 1 1 A 80 80 HIS H H 80 8.929 8.123 0.806 1
1 992 . 10 1 1 A 80 80 HIS HA H 80 4.759 4.823 -0.064 1
1 995 . 10 1 1 A 80 80 HIS C C 80 175.622 175.207 0.415 1
1 996 . 10 1 1 A 80 80 HIS CA C 80 56.078 60.169 -4.091 1
1 997 . 10 1 1 A 80 80 HIS CB C 80 29.927 28.447 1.480 1
1 998 . 10 1 1 A 80 80 HIS N N 80 117.372 118.161 -0.789 1
1 999 . 10 1 1 A 81 81 TRP H H 81 8.544 8.414 0.130 1
1 1009 . 10 1 1 A 81 81 TRP C C 81 175.952 174.140 1.812 1
1 1010 . 10 1 1 A 81 81 TRP CA C 81 56.009 45.296 10.713 1
1 1017 . 10 1 1 A 81 81 TRP N N 81 122.512 108.622 13.890 1
1 1019 . 10 1 1 A 82 82 THR H H 82 7.587 7.492 0.095 1
1 1020 . 10 1 1 A 82 82 THR HA H 82 4.725 4.305 0.420 1
1 1025 . 10 1 1 A 82 82 THR C C 82 176.305 175.187 1.118 1
1 1026 . 10 1 1 A 82 82 THR CA C 82 60.250 60.663 -0.413 1
1 1027 . 10 1 1 A 82 82 THR CB C 82 70.601 32.413 38.188 1
1 1029 . 10 1 1 A 82 82 THR N N 82 109.728 121.656 -11.928 1
1 1030 . 10 1 1 A 83 83 LEU H H 83 8.354 8.143 0.211 1
1 1031 . 10 1 1 A 83 83 LEU HA H 83 3.798 4.013 -0.215 1
1 1040 . 10 1 1 A 83 83 LEU C C 83 179.461 176.985 2.476 1
1 1041 . 10 1 1 A 83 83 LEU CA C 83 59.442 53.012 6.430 1
1 1042 . 10 1 1 A 83 83 LEU CB C 83 40.758 29.983 10.775 1
1 1045 . 10 1 1 A 83 83 LEU N N 83 122.120 127.392 -5.272 1
1 1046 . 10 1 1 A 84 84 ASP H H 84 8.985 7.928 1.057 1
1 1047 . 10 1 1 A 84 84 ASP HA H 84 4.427 4.147 0.280 1
1 1050 . 10 1 1 A 84 84 ASP C C 84 179.464 177.686 1.778 1
1 1051 . 10 1 1 A 84 84 ASP CA C 84 57.459 53.713 3.746 1
1 1052 . 10 1 1 A 84 84 ASP CB C 84 40.243 18.671 21.572 1
1 1053 . 10 1 1 A 84 84 ASP N N 84 118.020 120.928 -2.908 1
1 1054 . 10 1 1 A 85 85 LYS H H 85 8.134 7.933 0.201 1
1 1055 . 10 1 1 A 85 85 LYS HA H 85 3.820 4.607 -0.787 1
1 1064 . 10 1 1 A 85 85 LYS C C 85 178.824 176.121 2.703 1
1 1065 . 10 1 1 A 85 85 LYS CA C 85 59.103 54.572 4.531 1
1 1066 . 10 1 1 A 85 85 LYS CB C 85 32.229 41.708 -9.479 1
1 1070 . 10 1 1 A 85 85 LYS N N 85 123.380 117.062 6.318 1
1 1071 . 10 1 1 A 86 86 CYS H H 86 8.083 7.253 0.830 1
1 1072 . 10 1 1 A 86 86 CYS HA H 86 4.439 4.503 -0.064 1
1 1075 . 10 1 1 A 86 86 CYS C C 86 174.621 176.532 -1.911 1
1 1076 . 10 1 1 A 86 86 CYS CA C 86 61.800 51.057 10.743 1
1 1077 . 10 1 1 A 86 86 CYS CB C 86 28.700 20.163 8.537 1
1 1078 . 10 1 1 A 86 86 CYS N N 86 113.734 121.932 -8.198 1
1 1079 . 10 1 1 A 87 87 GLY H H 87 7.904 8.788 -0.884 1
1 1082 . 10 1 1 A 87 87 GLY C C 87 174.471 174.373 0.098 1
1 1083 . 10 1 1 A 87 87 GLY CA C 87 45.434 53.267 -7.833 1
1 1084 . 10 1 1 A 87 87 GLY N N 87 107.243 122.032 -14.789 1
1 1085 . 10 1 1 A 88 88 VAL H H 88 7.635 8.974 -1.339 1
1 1086 . 10 1 1 A 88 88 VAL HA H 88 3.165 5.175 -2.010 1
1 1094 . 10 1 1 A 88 88 VAL C C 88 173.926 174.452 -0.526 1
1 1095 . 10 1 1 A 88 88 VAL CA C 88 63.281 53.372 9.909 1
1 1096 . 10 1 1 A 88 88 VAL CB C 88 31.892 45.014 -13.122 1
1 1099 . 10 1 1 A 88 88 VAL N N 88 122.351 128.764 -6.413 1
1 1100 . 10 1 1 A 89 89 GLN H H 89 7.651 9.516 -1.865 1
1 1101 . 10 1 1 A 89 89 GLN HA H 89 3.946 5.654 -1.708 1
1 1108 . 10 1 1 A 89 89 GLN C C 89 175.629 174.622 1.007 1
1 1109 . 10 1 1 A 89 89 GLN CA C 89 53.861 52.783 1.078 1
1 1110 . 10 1 1 A 89 89 GLN CB C 89 31.010 45.999 -14.989 1
1 1112 . 10 1 1 A 89 89 GLN N N 89 125.820 128.714 -2.894 1
1 1114 . 10 1 1 A 90 90 ALA H H 90 7.025 9.446 -2.421 1
1 1115 . 10 1 1 A 90 90 ALA HA H 90 3.873 5.486 -1.613 1
1 1119 . 10 1 1 A 90 90 ALA C C 90 177.042 173.798 3.244 1
1 1120 . 10 1 1 A 90 90 ALA CA C 90 54.869 55.402 -0.533 1
1 1121 . 10 1 1 A 90 90 ALA CB C 90 18.818 42.080 -23.262 1
1 1122 . 10 1 1 A 90 90 ALA N N 90 118.713 127.355 -8.642 1
1 1123 . 10 1 1 A 91 91 ASP H H 91 8.310 8.530 -0.220 1
1 1124 . 10 1 1 A 91 91 ASP HA H 91 4.415 4.758 -0.343 1
1 1127 . 10 1 1 A 91 91 ASP C C 91 176.371 171.673 4.698 1
1 1128 . 10 1 1 A 91 91 ASP CA C 91 53.133 58.084 -4.951 1
1 1129 . 10 1 1 A 91 91 ASP CB C 91 39.673 72.649 -32.976 1
1 1130 . 10 1 1 A 91 91 ASP N N 91 113.050 121.452 -8.402 1
1 1132 . 10 1 1 A 92 92 ALA HA H 92 4.237 4.593 -0.356 1
1 1136 . 10 1 1 A 92 92 ALA C C 92 176.536 177.667 -1.131 1
1 1137 . 10 1 1 A 92 92 ALA CA C 92 53.721 63.464 -9.743 1
1 1138 . 10 1 1 A 92 92 ALA CB C 92 19.774 32.241 -12.467 1
1 1139 . 10 1 1 A 92 92 ALA N N 92 124.114 141.444 -17.330 1
1 1140 . 10 1 1 A 93 93 ASN H H 93 9.478 8.453 1.025 1
1 1141 . 10 1 1 A 93 93 ASN HA H 93 5.141 3.659 1.482 1
1 1146 . 10 1 1 A 93 93 ASN C C 93 173.906 176.105 -2.199 1
1 1147 . 10 1 1 A 93 93 ASN CA C 93 52.433 57.978 -5.545 1
1 1148 . 10 1 1 A 93 93 ASN CB C 93 38.547 27.574 10.973 1
1 1149 . 10 1 1 A 93 93 ASN N N 93 123.235 122.879 0.356 1
1 1151 . 10 1 1 A 94 94 LEU H H 94 8.675 7.626 1.049 1
1 1152 . 10 1 1 A 94 94 LEU HA H 94 5.429 4.431 0.998 1
1 1162 . 10 1 1 A 94 94 LEU C C 94 175.486 175.018 0.468 1
1 1163 . 10 1 1 A 94 94 LEU CA C 94 53.003 56.598 -3.595 1
1 1164 . 10 1 1 A 94 94 LEU CB C 94 44.739 27.296 17.443 1
1 1168 . 10 1 1 A 94 94 LEU N N 94 122.901 118.813 4.088 1
1 1169 . 10 1 1 A 95 95 LEU H H 95 9.412 7.845 1.567 1
1 1170 . 10 1 1 A 95 95 LEU HA H 95 5.388 4.011 1.377 1
1 1180 . 10 1 1 A 95 95 LEU C C 95 174.403 176.312 -1.909 1
1 1181 . 10 1 1 A 95 95 LEU CA C 95 53.155 57.164 -4.009 1
1 1182 . 10 1 1 A 95 95 LEU CB C 95 46.432 33.214 13.218 1
1 1186 . 10 1 1 A 95 95 LEU N N 95 126.034 123.512 2.522 1
1 3 . 11 1 1 A 1 1 GLY C C 1 173.950 175.243 -1.293 1
1 4 . 11 1 1 A 1 1 GLY CA C 1 45.289 53.935 -8.646 1
1 5 . 11 1 1 A 2 2 ILE H H 2 8.026 8.700 -0.674 1
1 6 . 11 1 1 A 2 2 ILE HA H 2 4.518 3.954 0.564 1
1 16 . 11 1 1 A 2 2 ILE CA C 2 54.315 56.633 -2.318 1
1 17 . 11 1 1 A 2 2 ILE CB C 2 41.381 40.460 0.921 1
1 21 . 11 1 1 A 2 2 ILE N N 2 120.237 125.825 -5.588 1
1 22 . 11 1 1 A 3 3 ASP H H 3 8.212 7.631 0.581 1
1 25 . 11 1 1 A 3 3 ASP CB C 3 41.116 64.295 -23.179 1
1 26 . 11 1 1 A 3 3 ASP N N 3 126.816 114.060 12.756 1
1 27 . 11 1 1 A 4 4 PRO HA H 4 3.818 4.777 -0.959 1
1 28 . 11 1 1 A 4 4 PRO C C 4 176.930 174.314 2.616 1
1 29 . 11 1 1 A 4 4 PRO CA C 4 63.589 59.161 4.428 1
1 30 . 11 1 1 A 5 5 PHE H H 5 8.214 7.461 0.753 1
1 33 . 11 1 1 A 5 5 PHE C C 5 176.204 173.805 2.399 1
1 34 . 11 1 1 A 5 5 PHE CA C 5 58.089 45.054 13.035 1
1 36 . 11 1 1 A 5 5 PHE N N 5 118.317 107.532 10.785 1
1 37 . 11 1 1 A 6 6 THR H H 6 7.789 8.775 -0.986 1
1 38 . 11 1 1 A 6 6 THR HA H 6 4.268 4.561 -0.293 1
1 43 . 11 1 1 A 6 6 THR C C 6 174.096 175.502 -1.406 1
1 44 . 11 1 1 A 6 6 THR CA C 6 62.228 54.588 7.640 1
1 45 . 11 1 1 A 6 6 THR CB C 6 69.842 41.474 28.368 1
1 47 . 11 1 1 A 6 6 THR N N 6 114.242 123.512 -9.270 1
1 48 . 11 1 1 A 7 7 MET H H 7 8.077 7.345 0.732 1
1 49 . 11 1 1 A 7 7 MET HA H 7 4.721 4.617 0.104 1
1 50 . 11 1 1 A 7 7 MET CA C 7 55.836 53.841 1.995 1
1 51 . 11 1 1 A 7 7 MET N N 7 121.684 122.045 -0.361 1
1 52 . 11 1 1 A 8 8 LEU H H 8 8.043 8.484 -0.441 1
1 53 . 11 1 1 A 8 8 LEU HA H 8 4.322 4.678 -0.356 1
1 60 . 11 1 1 A 8 8 LEU CA C 8 55.142 61.732 -6.590 1
1 63 . 11 1 1 A 8 8 LEU N N 8 122.622 118.916 3.706 1
1 64 . 11 1 1 A 9 9 SER H H 9 8.263 8.784 -0.521 1
1 65 . 11 1 1 A 9 9 SER HA H 9 4.318 4.894 -0.576 1
1 68 . 11 1 1 A 9 9 SER CA C 9 58.256 57.558 0.698 1
1 69 . 11 1 1 A 9 9 SER CB C 9 63.851 63.683 0.168 1
1 70 . 11 1 1 A 9 9 SER N N 9 116.455 125.497 -9.042 1
1 71 . 11 1 1 A 10 10 SER H H 10 8.268 8.528 -0.260 1
1 72 . 11 1 1 A 10 10 SER HA H 10 4.418 3.954 0.464 1
1 75 . 11 1 1 A 10 10 SER C C 10 175.142 176.034 -0.892 1
1 76 . 11 1 1 A 10 10 SER CA C 10 58.684 52.920 5.764 1
1 77 . 11 1 1 A 10 10 SER CB C 10 63.935 17.503 46.432 1
1 78 . 11 1 1 A 10 10 SER N N 10 117.758 127.194 -9.436 1
1 79 . 11 1 1 A 11 11 GLY H H 11 8.300 8.079 0.221 1
1 82 . 11 1 1 A 11 11 GLY C C 11 176.844 173.082 3.762 1
1 83 . 11 1 1 A 11 11 GLY CA C 11 45.340 56.422 -11.082 1
1 84 . 11 1 1 A 11 11 GLY N N 11 110.621 111.839 -1.218 1
1 85 . 11 1 1 A 12 12 ASP H H 12 8.095 8.644 -0.549 1
1 86 . 11 1 1 A 12 12 ASP HA H 12 4.520 5.441 -0.921 1
1 89 . 11 1 1 A 12 12 ASP C C 12 176.422 173.616 2.806 1
1 90 . 11 1 1 A 12 12 ASP CA C 12 54.331 54.822 -0.491 1
1 91 . 11 1 1 A 12 12 ASP CB C 12 41.101 32.532 8.569 1
1 92 . 11 1 1 A 12 12 ASP N N 12 120.276 123.115 -2.839 1
1 93 . 11 1 1 A 13 13 LEU H H 13 8.259 8.746 -0.487 1
1 94 . 11 1 1 A 13 13 LEU HA H 13 4.326 4.881 -0.555 1
1 104 . 11 1 1 A 13 13 LEU C C 13 177.829 175.256 2.573 1
1 105 . 11 1 1 A 13 13 LEU CA C 13 55.426 55.850 -0.424 1
1 106 . 11 1 1 A 13 13 LEU CB C 13 42.043 30.094 11.949 1
1 110 . 11 1 1 A 13 13 LEU N N 13 122.645 120.138 2.507 1
1 111 . 11 1 1 A 14 14 THR H H 14 8.134 8.964 -0.830 1
1 112 . 11 1 1 A 14 14 THR HA H 14 4.265 4.992 -0.727 1
1 117 . 11 1 1 A 14 14 THR C C 14 174.821 175.164 -0.343 1
1 118 . 11 1 1 A 14 14 THR CA C 14 62.228 54.018 8.210 1
1 119 . 11 1 1 A 14 14 THR CB C 14 69.762 44.240 25.522 1
1 121 . 11 1 1 A 14 14 THR N N 14 114.338 127.444 -13.106 1
1 122 . 11 1 1 A 15 15 SER H H 15 8.181 8.796 -0.615 1
1 123 . 11 1 1 A 15 15 SER HA H 15 4.429 5.081 -0.652 1
1 126 . 11 1 1 A 15 15 SER C C 15 174.213 174.086 0.127 1
1 127 . 11 1 1 A 15 15 SER CA C 15 58.321 60.731 -2.410 1
1 128 . 11 1 1 A 15 15 SER CB C 15 63.826 33.059 30.767 1
1 129 . 11 1 1 A 15 15 SER N N 15 117.846 127.406 -9.560 1
1 130 . 11 1 1 A 16 16 ALA H H 16 8.284 9.740 -1.456 1
1 131 . 11 1 1 A 16 16 ALA HA H 16 4.395 4.581 -0.186 1
1 135 . 11 1 1 A 16 16 ALA C C 16 177.160 174.854 2.306 1
1 136 . 11 1 1 A 16 16 ALA CA C 16 52.623 60.946 -8.323 1
1 137 . 11 1 1 A 16 16 ALA CB C 16 19.390 34.515 -15.125 1
1 138 . 11 1 1 A 16 16 ALA N N 16 126.207 130.184 -3.977 1
1 139 . 11 1 1 A 17 17 SER H H 17 8.035 9.221 -1.186 1
1 140 . 11 1 1 A 17 17 SER HA H 17 4.891 5.140 -0.249 1
1 143 . 11 1 1 A 17 17 SER C C 17 173.472 175.469 -1.997 1
1 144 . 11 1 1 A 17 17 SER CA C 17 57.547 55.924 1.623 1
1 145 . 11 1 1 A 17 17 SER CB C 17 65.420 31.174 34.246 1
1 146 . 11 1 1 A 17 17 SER N N 17 114.521 127.777 -13.256 1
1 147 . 11 1 1 A 18 18 TRP H H 18 8.523 9.448 -0.925 1
1 148 . 11 1 1 A 18 18 TRP HA H 18 4.787 4.491 0.296 1
1 157 . 11 1 1 A 18 18 TRP C C 18 173.910 174.148 -0.238 1
1 158 . 11 1 1 A 18 18 TRP CA C 18 55.331 62.282 -6.951 1
1 159 . 11 1 1 A 18 18 TRP CB C 18 30.044 32.255 -2.211 1
1 165 . 11 1 1 A 18 18 TRP N N 18 120.348 125.419 -5.071 1
1 167 . 11 1 1 A 19 19 GLU H H 19 8.542 9.311 -0.769 1
1 168 . 11 1 1 A 19 19 GLU HA H 19 4.957 4.904 0.053 1
1 173 . 11 1 1 A 19 19 GLU C C 19 175.089 174.515 0.574 1
1 174 . 11 1 1 A 19 19 GLU CA C 19 55.735 52.491 3.244 1
1 175 . 11 1 1 A 19 19 GLU CB C 19 31.683 41.528 -9.845 1
1 177 . 11 1 1 A 19 19 GLU N N 19 117.964 128.542 -10.578 1
1 178 . 11 1 1 A 20 20 LEU H H 20 8.813 8.956 -0.143 1
1 179 . 11 1 1 A 20 20 LEU HA H 20 4.794 4.846 -0.052 1
1 189 . 11 1 1 A 20 20 LEU C C 20 174.656 174.614 0.042 1
1 190 . 11 1 1 A 20 20 LEU CA C 20 53.195 55.983 -2.788 1
1 191 . 11 1 1 A 20 20 LEU CB C 20 46.182 29.695 16.487 1
1 195 . 11 1 1 A 20 20 LEU N N 20 125.925 125.521 0.404 1
1 196 . 11 1 1 A 21 21 VAL H H 21 8.827 8.509 0.318 1
1 197 . 11 1 1 A 21 21 VAL HA H 21 4.499 4.054 0.445 1
1 205 . 11 1 1 A 21 21 VAL C C 21 176.157 178.116 -1.959 1
1 206 . 11 1 1 A 21 21 VAL CA C 21 62.260 53.445 8.815 1
1 207 . 11 1 1 A 21 21 VAL CB C 21 31.627 18.432 13.195 1
1 210 . 11 1 1 A 21 21 VAL N N 21 127.297 127.548 -0.251 1
1 211 . 11 1 1 A 22 22 VAL H H 22 9.178 8.998 0.180 1
1 212 . 11 1 1 A 22 22 VAL HA H 22 4.348 4.318 0.030 1
1 220 . 11 1 1 A 22 22 VAL C C 22 175.253 174.203 1.050 1
1 221 . 11 1 1 A 22 22 VAL CA C 22 60.925 53.934 6.991 1
1 222 . 11 1 1 A 22 22 VAL CB C 22 34.352 37.320 -2.968 1
1 225 . 11 1 1 A 22 22 VAL N N 22 129.937 122.443 7.494 1
1 226 . 11 1 1 A 23 23 ARG H H 23 8.104 7.916 0.188 1
1 235 . 11 1 1 A 23 23 ARG C C 23 174.950 171.608 3.342 1
1 236 . 11 1 1 A 23 23 ARG CA C 23 55.516 45.570 9.946 1
1 240 . 11 1 1 A 23 23 ARG N N 23 125.848 109.578 16.270 1
1 242 . 11 1 1 A 24 24 VAL H H 24 9.325 8.707 0.618 1
1 243 . 11 1 1 A 24 24 VAL HA H 24 5.011 4.560 0.451 1
1 251 . 11 1 1 A 24 24 VAL C C 24 175.449 176.677 -1.228 1
1 252 . 11 1 1 A 24 24 VAL CA C 24 61.634 55.424 6.210 1
1 253 . 11 1 1 A 24 24 VAL CB C 24 33.928 31.667 2.261 1
1 256 . 11 1 1 A 24 24 VAL N N 24 124.136 119.806 4.330 1
1 257 . 11 1 1 A 25 25 ASP H H 25 8.414 8.929 -0.515 1
1 258 . 11 1 1 A 25 25 ASP HA H 25 5.220 3.946 1.274 1
1 261 . 11 1 1 A 25 25 ASP C C 25 176.671 174.882 1.789 1
1 262 . 11 1 1 A 25 25 ASP CA C 25 52.956 56.664 -3.708 1
1 263 . 11 1 1 A 25 25 ASP CB C 25 43.473 27.303 16.170 1
1 264 . 11 1 1 A 25 25 ASP N N 25 126.172 121.729 4.443 1
1 265 . 11 1 1 A 26 26 HIS H H 26 9.152 8.526 0.626 1
1 266 . 11 1 1 A 26 26 HIS HA H 26 4.542 4.668 -0.126 1
1 271 . 11 1 1 A 26 26 HIS C C 26 174.917 174.936 -0.019 1
1 272 . 11 1 1 A 26 26 HIS CA C 26 56.700 56.401 0.299 1
1 273 . 11 1 1 A 26 26 HIS CB C 26 30.185 29.755 0.430 1
1 276 . 11 1 1 A 26 26 HIS N N 26 124.402 124.684 -0.282 1
1 277 . 11 1 1 A 27 27 ALA H H 27 9.121 8.497 0.624 1
1 278 . 11 1 1 A 27 27 ALA HA H 27 3.984 4.866 -0.882 1
1 282 . 11 1 1 A 27 27 ALA C C 27 176.927 173.577 3.350 1
1 283 . 11 1 1 A 27 27 ALA CA C 27 53.240 61.822 -8.582 1
1 284 . 11 1 1 A 27 27 ALA CB C 27 17.122 70.770 -53.648 1
1 285 . 11 1 1 A 27 27 ALA N N 27 121.895 117.699 4.196 1
1 286 . 11 1 1 A 28 28 ASN H H 28 8.140 8.987 -0.847 1
1 287 . 11 1 1 A 28 28 ASN HA H 28 4.628 4.727 -0.099 1
1 292 . 11 1 1 A 28 28 ASN C C 28 176.389 175.258 1.131 1
1 293 . 11 1 1 A 28 28 ASN CA C 28 52.466 55.863 -3.397 1
1 294 . 11 1 1 A 28 28 ASN CB C 28 38.624 30.345 8.279 1
1 295 . 11 1 1 A 28 28 ASN N N 28 114.287 126.134 -11.847 1
1 297 . 11 1 1 A 29 29 GLY H H 29 8.254 9.557 -1.303 1
1 300 . 11 1 1 A 29 29 GLY C C 29 174.848 174.965 -0.117 1
1 301 . 11 1 1 A 29 29 GLY CA C 29 45.354 60.346 -14.992 1
1 302 . 11 1 1 A 29 29 GLY N N 29 108.650 126.417 -17.767 1
1 303 . 11 1 1 A 30 30 GLU H H 30 7.860 8.822 -0.962 1
1 304 . 11 1 1 A 30 30 GLU HA H 30 4.267 5.033 -0.766 1
1 309 . 11 1 1 A 30 30 GLU C C 30 176.802 173.724 3.078 1
1 310 . 11 1 1 A 30 30 GLU CA C 30 56.348 62.498 -6.150 1
1 311 . 11 1 1 A 30 30 GLU CB C 30 30.460 69.444 -38.984 1
1 313 . 11 1 1 A 30 30 GLU N N 30 119.375 124.442 -5.067 1
1 314 . 11 1 1 A 31 31 GLN H H 31 8.280 9.231 -0.951 1
1 315 . 11 1 1 A 31 31 GLN HA H 31 4.222 5.172 -0.950 1
1 322 . 11 1 1 A 31 31 GLN C C 31 175.995 175.299 0.696 1
1 323 . 11 1 1 A 31 31 GLN CA C 31 55.917 53.251 2.666 1
1 324 . 11 1 1 A 31 31 GLN CB C 31 30.002 44.857 -14.855 1
1 326 . 11 1 1 A 31 31 GLN N N 31 120.036 127.282 -7.246 1
1 328 . 11 1 1 A 32 32 GLN H H 32 7.520 8.716 -1.196 1
1 329 . 11 1 1 A 32 32 GLN HA H 32 4.905 4.720 0.185 1
1 336 . 11 1 1 A 32 32 GLN C C 32 176.112 175.821 0.291 1
1 337 . 11 1 1 A 32 32 GLN CA C 32 56.211 55.544 0.667 1
1 338 . 11 1 1 A 32 32 GLN CB C 32 30.863 31.162 -0.299 1
1 340 . 11 1 1 A 32 32 GLN N N 32 123.146 124.306 -1.160 1
1 342 . 11 1 1 A 33 33 THR H H 33 8.533 8.733 -0.200 1
1 343 . 11 1 1 A 33 33 THR HA H 33 4.621 4.870 -0.249 1
1 348 . 11 1 1 A 33 33 THR C C 33 173.112 174.098 -0.986 1
1 349 . 11 1 1 A 33 33 THR CA C 33 61.506 59.060 2.446 1
1 350 . 11 1 1 A 33 33 THR CB C 33 71.605 34.959 36.646 1
1 352 . 11 1 1 A 33 33 THR N N 33 118.233 121.157 -2.924 1
1 353 . 11 1 1 A 34 34 GLU H H 34 8.711 8.063 0.648 1
1 354 . 11 1 1 A 34 34 GLU HA H 34 4.939 4.938 0.001 1
1 359 . 11 1 1 A 34 34 GLU C C 34 175.108 176.050 -0.942 1
1 360 . 11 1 1 A 34 34 GLU CA C 34 55.553 55.786 -0.233 1
1 361 . 11 1 1 A 34 34 GLU CB C 34 31.950 66.175 -34.225 1
1 363 . 11 1 1 A 34 34 GLU N N 34 124.692 115.482 9.210 1
1 364 . 11 1 1 A 35 35 ILE H H 35 9.115 8.697 0.418 1
1 375 . 11 1 1 A 35 35 ILE C C 35 174.282 174.356 -0.074 1
1 376 . 11 1 1 A 35 35 ILE CA C 35 59.057 47.194 11.863 1
1 381 . 11 1 1 A 35 35 ILE N N 35 127.113 108.634 18.479 1
1 382 . 11 1 1 A 36 36 THR H H 36 8.545 8.205 0.340 1
1 383 . 11 1 1 A 36 36 THR HA H 36 4.772 4.625 0.147 1
1 388 . 11 1 1 A 36 36 THR C C 36 174.054 176.083 -2.029 1
1 389 . 11 1 1 A 36 36 THR CA C 36 62.257 53.894 8.363 1
1 390 . 11 1 1 A 36 36 THR CB C 36 68.948 40.023 28.925 1
1 392 . 11 1 1 A 36 36 THR N N 36 123.057 117.208 5.849 1
1 393 . 11 1 1 A 37 37 LEU H H 37 9.161 7.141 2.020 1
1 394 . 11 1 1 A 37 37 LEU HA H 37 4.503 4.225 0.278 1
1 404 . 11 1 1 A 37 37 LEU C C 37 175.047 175.865 -0.818 1
1 405 . 11 1 1 A 37 37 LEU CA C 37 52.646 55.244 -2.598 1
1 406 . 11 1 1 A 37 37 LEU CB C 37 45.951 42.698 3.253 1
1 410 . 11 1 1 A 37 37 LEU N N 37 128.195 122.701 5.494 1
1 411 . 11 1 1 A 38 38 ARG H H 38 8.258 8.409 -0.151 1
1 412 . 11 1 1 A 38 38 ARG HA H 38 4.556 4.999 -0.443 1
1 420 . 11 1 1 A 38 38 ARG C C 38 175.726 176.504 -0.778 1
1 421 . 11 1 1 A 38 38 ARG CA C 38 55.701 54.840 0.861 1
1 422 . 11 1 1 A 38 38 ARG CB C 38 29.601 32.014 -2.413 1
1 425 . 11 1 1 A 38 38 ARG N N 38 122.992 121.240 1.752 1
1 427 . 11 1 1 A 39 39 VAL H H 39 8.635 9.143 -0.508 1
1 428 . 11 1 1 A 39 39 VAL HA H 39 4.358 3.586 0.772 1
1 436 . 11 1 1 A 39 39 VAL C C 39 172.241 178.276 -6.035 1
1 437 . 11 1 1 A 39 39 VAL CA C 39 58.334 65.238 -6.904 1
1 438 . 11 1 1 A 39 39 VAL CB C 39 35.214 37.853 -2.639 1
1 441 . 11 1 1 A 39 39 VAL N N 39 118.388 120.455 -2.067 1
1 442 . 11 1 1 A 40 40 SER H H 40 6.388 8.652 -2.264 1
1 446 . 11 1 1 A 40 40 SER C C 40 175.046 176.883 -1.837 1
1 447 . 11 1 1 A 40 40 SER CA C 40 56.216 47.456 8.760 1
1 449 . 11 1 1 A 40 40 SER N N 40 108.799 108.790 0.009 1
1 450 . 11 1 1 A 41 41 GLY H H 41 9.085 8.118 0.967 1
1 451 . 11 1 1 A 41 41 GLY HA2 H 41 3.850 3.440 0.410 1
1 452 . 11 1 1 A 41 41 GLY HA3 H 41 4.321 3.631 0.690 1
1 453 . 11 1 1 A 41 41 GLY C C 41 173.137 176.076 -2.939 1
1 454 . 11 1 1 A 41 41 GLY CA C 41 47.346 46.724 0.622 1
1 455 . 11 1 1 A 41 41 GLY N N 41 107.767 109.862 -2.095 1
1 456 . 11 1 1 A 42 42 ASP H H 42 7.994 7.554 0.440 1
1 457 . 11 1 1 A 42 42 ASP HA H 42 4.498 3.585 0.913 1
1 460 . 11 1 1 A 42 42 ASP C C 42 175.609 177.492 -1.883 1
1 461 . 11 1 1 A 42 42 ASP CA C 42 53.241 65.698 -12.457 1
1 462 . 11 1 1 A 42 42 ASP CB C 42 40.331 31.639 8.692 1
1 463 . 11 1 1 A 42 42 ASP N N 42 112.956 121.734 -8.778 1
1 464 . 11 1 1 A 43 43 LEU H H 43 7.431 7.969 -0.538 1
1 465 . 11 1 1 A 43 43 LEU HA H 43 4.210 3.465 0.745 1
1 475 . 11 1 1 A 43 43 LEU C C 43 175.552 178.140 -2.588 1
1 476 . 11 1 1 A 43 43 LEU CA C 43 55.199 58.598 -3.399 1
1 477 . 11 1 1 A 43 43 LEU CB C 43 42.398 33.023 9.375 1
1 481 . 11 1 1 A 43 43 LEU N N 43 123.293 117.444 5.849 1
1 482 . 11 1 1 A 44 44 HIS H H 44 8.405 7.812 0.593 1
1 483 . 11 1 1 A 44 44 HIS HA H 44 5.154 3.758 1.396 1
1 488 . 11 1 1 A 44 44 HIS C C 44 177.511 178.417 -0.906 1
1 489 . 11 1 1 A 44 44 HIS CA C 44 54.692 58.016 -3.324 1
1 490 . 11 1 1 A 44 44 HIS CB C 44 30.868 41.821 -10.953 1
1 493 . 11 1 1 A 44 44 HIS N N 44 121.975 121.060 0.915 1
1 494 . 11 1 1 A 45 45 ILE H H 45 8.628 7.675 0.953 1
1 495 . 11 1 1 A 45 45 ILE HA H 45 3.445 3.999 -0.554 1
1 505 . 11 1 1 A 45 45 ILE C C 45 179.116 178.991 0.125 1
1 506 . 11 1 1 A 45 45 ILE CA C 45 62.585 59.407 3.178 1
1 507 . 11 1 1 A 45 45 ILE CB C 45 35.492 31.766 3.726 1
1 511 . 11 1 1 A 45 45 ILE N N 45 124.304 118.509 5.795 1
1 512 . 11 1 1 A 46 46 GLY H H 46 9.792 7.676 2.116 1
1 515 . 11 1 1 A 46 46 GLY C C 46 175.742 178.961 -3.219 1
1 516 . 11 1 1 A 46 46 GLY CA C 46 46.812 57.934 -11.122 1
1 517 . 11 1 1 A 46 46 GLY N N 46 106.610 120.051 -13.441 1
1 518 . 11 1 1 A 47 47 GLY H H 47 6.761 7.600 -0.839 1
1 521 . 11 1 1 A 47 47 GLY C C 47 176.182 177.622 -1.440 1
1 522 . 11 1 1 A 47 47 GLY CA C 47 46.819 66.585 -19.766 1
1 523 . 11 1 1 A 47 47 GLY N N 47 109.580 118.527 -8.947 1
1 524 . 11 1 1 A 48 48 VAL H H 48 7.669 8.359 -0.690 1
1 525 . 11 1 1 A 48 48 VAL HA H 48 3.083 3.908 -0.825 1
1 533 . 11 1 1 A 48 48 VAL C C 48 176.849 179.112 -2.263 1
1 534 . 11 1 1 A 48 48 VAL CA C 48 66.775 59.545 7.230 1
1 535 . 11 1 1 A 48 48 VAL CB C 48 30.944 29.047 1.897 1
1 538 . 11 1 1 A 48 48 VAL N N 48 123.461 118.392 5.069 1
1 539 . 11 1 1 A 49 49 MET H H 49 7.632 8.062 -0.430 1
1 540 . 11 1 1 A 49 49 MET HA H 49 3.143 4.055 -0.912 1
1 548 . 11 1 1 A 49 49 MET C C 49 176.774 177.981 -1.207 1
1 549 . 11 1 1 A 49 49 MET CA C 49 59.972 58.743 1.229 1
1 550 . 11 1 1 A 49 49 MET CB C 49 33.142 28.412 4.730 1
1 553 . 11 1 1 A 49 49 MET N N 49 115.691 120.084 -4.393 1
1 554 . 11 1 1 A 50 50 LEU H H 50 7.535 7.573 -0.038 1
1 555 . 11 1 1 A 50 50 LEU HA H 50 3.821 4.426 -0.605 1
1 565 . 11 1 1 A 50 50 LEU C C 50 179.001 176.592 2.409 1
1 566 . 11 1 1 A 50 50 LEU CA C 50 57.910 58.565 -0.655 1
1 567 . 11 1 1 A 50 50 LEU CB C 50 41.821 33.121 8.700 1
1 571 . 11 1 1 A 50 50 LEU N N 50 117.445 117.948 -0.503 1
1 572 . 11 1 1 A 51 51 LYS H H 51 7.447 8.615 -1.168 1
1 573 . 11 1 1 A 51 51 LYS HA H 51 3.880 4.444 -0.564 1
1 582 . 11 1 1 A 51 51 LYS C C 51 178.975 174.127 4.848 1
1 583 . 11 1 1 A 51 51 LYS CA C 51 59.003 54.105 4.898 1
1 584 . 11 1 1 A 51 51 LYS CB C 51 32.890 37.261 -4.371 1
1 588 . 11 1 1 A 51 51 LYS N N 51 118.306 117.305 1.001 1
1 589 . 11 1 1 A 52 52 LEU H H 52 7.547 8.157 -0.610 1
1 590 . 11 1 1 A 52 52 LEU HA H 52 3.523 4.179 -0.656 1
1 600 . 11 1 1 A 52 52 LEU C C 52 177.676 175.995 1.681 1
1 601 . 11 1 1 A 52 52 LEU CA C 52 58.038 60.767 -2.729 1
1 602 . 11 1 1 A 52 52 LEU CB C 52 41.660 38.420 3.240 1
1 606 . 11 1 1 A 52 52 LEU N N 52 119.198 119.984 -0.786 1
1 607 . 11 1 1 A 53 53 VAL H H 53 7.368 8.540 -1.172 1
1 608 . 11 1 1 A 53 53 VAL HA H 53 2.469 4.366 -1.897 1
1 616 . 11 1 1 A 53 53 VAL C C 53 179.189 175.941 3.248 1
1 617 . 11 1 1 A 53 53 VAL CA C 53 66.706 51.828 14.878 1
1 618 . 11 1 1 A 53 53 VAL CB C 53 31.343 17.418 13.925 1
1 621 . 11 1 1 A 53 53 VAL N N 53 117.879 130.204 -12.325 1
1 622 . 11 1 1 A 54 54 GLU H H 54 7.966 8.197 -0.231 1
1 623 . 11 1 1 A 54 54 GLU HA H 54 3.865 4.900 -1.035 1
1 628 . 11 1 1 A 54 54 GLU C C 54 178.593 173.662 4.931 1
1 629 . 11 1 1 A 54 54 GLU CA C 54 58.935 54.034 4.901 1
1 630 . 11 1 1 A 54 54 GLU CB C 54 29.772 31.866 -2.094 1
1 632 . 11 1 1 A 54 54 GLU N N 54 119.295 118.182 1.113 1
1 633 . 11 1 1 A 55 55 GLN H H 55 7.651 8.881 -1.230 1
1 634 . 11 1 1 A 55 55 GLN HA H 55 4.005 4.696 -0.691 1
1 641 . 11 1 1 A 55 55 GLN C C 55 177.512 175.914 1.598 1
1 642 . 11 1 1 A 55 55 GLN CA C 55 57.362 54.406 2.956 1
1 643 . 11 1 1 A 55 55 GLN CB C 55 28.938 40.714 -11.776 1
1 645 . 11 1 1 A 55 55 GLN N N 55 116.036 122.222 -6.186 1
1 647 . 11 1 1 A 56 56 MET H H 56 7.691 8.864 -1.173 1
1 648 . 11 1 1 A 56 56 MET HA H 56 4.316 4.682 -0.366 1
1 656 . 11 1 1 A 56 56 MET C C 56 176.572 177.133 -0.561 1
1 657 . 11 1 1 A 56 56 MET CA C 56 56.492 58.645 -2.153 1
1 658 . 11 1 1 A 56 56 MET CB C 56 32.901 30.402 2.499 1
1 661 . 11 1 1 A 56 56 MET N N 56 117.664 123.386 -5.722 1
1 662 . 11 1 1 A 57 57 ASN H H 57 7.816 8.432 -0.616 1
1 663 . 11 1 1 A 57 57 ASN HA H 57 4.495 4.364 0.131 1
1 668 . 11 1 1 A 57 57 ASN C C 57 174.613 173.661 0.952 1
1 669 . 11 1 1 A 57 57 ASN CA C 57 53.813 60.628 -6.815 1
1 670 . 11 1 1 A 57 57 ASN CB C 57 37.713 62.538 -24.825 1
1 671 . 11 1 1 A 57 57 ASN N N 57 115.864 115.236 0.628 1
1 673 . 11 1 1 A 58 58 ILE H H 58 8.391 8.616 -0.225 1
1 674 . 11 1 1 A 58 58 ILE HA H 58 4.284 4.707 -0.423 1
1 684 . 11 1 1 A 58 58 ILE C C 58 175.277 174.706 0.571 1
1 685 . 11 1 1 A 58 58 ILE CA C 58 60.631 52.884 7.747 1
1 686 . 11 1 1 A 58 58 ILE CB C 58 41.470 40.425 1.045 1
1 690 . 11 1 1 A 58 58 ILE N N 58 117.760 122.370 -4.610 1
1 691 . 11 1 1 A 59 59 ALA H H 59 8.438 8.534 -0.096 1
1 692 . 11 1 1 A 59 59 ALA HA H 59 4.535 4.766 -0.231 1
1 696 . 11 1 1 A 59 59 ALA C C 59 175.554 175.510 0.044 1
1 697 . 11 1 1 A 59 59 ALA CA C 59 51.604 57.578 -5.974 1
1 698 . 11 1 1 A 59 59 ALA CB C 59 17.256 39.662 -22.406 1
1 699 . 11 1 1 A 59 59 ALA N N 59 129.371 122.986 6.385 1
1 700 . 11 1 1 A 60 60 GLN H H 60 7.498 8.922 -1.424 1
1 701 . 11 1 1 A 60 60 GLN HA H 60 4.291 5.276 -0.985 1
1 708 . 11 1 1 A 60 60 GLN C C 60 172.908 175.029 -2.121 1
1 709 . 11 1 1 A 60 60 GLN CA C 60 53.492 51.394 2.098 1
1 710 . 11 1 1 A 60 60 GLN CB C 60 30.340 23.748 6.592 1
1 712 . 11 1 1 A 60 60 GLN N N 60 120.550 122.823 -2.273 1
1 714 . 11 1 1 A 61 61 ASP H H 61 8.086 8.773 -0.687 1
1 715 . 11 1 1 A 61 61 ASP HA H 61 4.622 5.213 -0.591 1
1 718 . 11 1 1 A 61 61 ASP C C 61 177.529 175.344 2.185 1
1 719 . 11 1 1 A 61 61 ASP CA C 61 53.520 54.036 -0.516 1
1 720 . 11 1 1 A 61 61 ASP CB C 61 40.493 44.769 -4.276 1
1 721 . 11 1 1 A 61 61 ASP N N 61 118.225 122.086 -3.861 1
1 722 . 11 1 1 A 62 62 TRP H H 62 8.999 9.478 -0.479 1
1 723 . 11 1 1 A 62 62 TRP HA H 62 4.578 5.580 -1.002 1
1 732 . 11 1 1 A 62 62 TRP C C 62 178.609 174.549 4.060 1
1 733 . 11 1 1 A 62 62 TRP CA C 62 57.200 54.424 2.776 1
1 734 . 11 1 1 A 62 62 TRP CB C 62 29.155 32.047 -2.892 1
1 740 . 11 1 1 A 62 62 TRP N N 62 129.134 128.031 1.103 1
1 742 . 11 1 1 A 63 63 SER H H 63 8.756 8.641 0.115 1
1 743 . 11 1 1 A 63 63 SER HA H 63 4.127 4.805 -0.678 1
1 746 . 11 1 1 A 63 63 SER C C 63 175.119 176.362 -1.243 1
1 747 . 11 1 1 A 63 63 SER CA C 63 62.933 55.974 6.959 1
1 748 . 11 1 1 A 63 63 SER CB C 63 63.120 29.466 33.654 1
1 749 . 11 1 1 A 63 63 SER N N 63 119.231 130.003 -10.772 1
1 750 . 11 1 1 A 64 64 ASP H H 64 9.095 8.897 0.198 1
1 751 . 11 1 1 A 64 64 ASP HA H 64 4.876 4.234 0.642 1
1 754 . 11 1 1 A 64 64 ASP C C 64 177.267 178.427 -1.160 1
1 755 . 11 1 1 A 64 64 ASP CA C 64 54.157 60.151 -5.994 1
1 756 . 11 1 1 A 64 64 ASP CB C 64 43.116 29.863 13.253 1
1 757 . 11 1 1 A 64 64 ASP N N 64 120.137 128.419 -8.282 1
1 758 . 11 1 1 A 65 65 TYR H H 65 7.991 8.382 -0.391 1
1 759 . 11 1 1 A 65 65 TYR HA H 65 4.151 4.118 0.033 1
1 766 . 11 1 1 A 65 65 TYR C C 65 175.746 177.137 -1.391 1
1 767 . 11 1 1 A 65 65 TYR CA C 65 59.053 58.342 0.711 1
1 768 . 11 1 1 A 65 65 TYR CB C 65 38.836 28.186 10.650 1
1 773 . 11 1 1 A 65 65 TYR N N 65 121.458 119.299 2.159 1
1 774 . 11 1 1 A 66 66 ALA H H 66 8.698 7.352 1.346 1
1 775 . 11 1 1 A 66 66 ALA HA H 66 4.794 4.114 0.680 1
1 779 . 11 1 1 A 66 66 ALA C C 66 175.126 176.063 -0.937 1
1 780 . 11 1 1 A 66 66 ALA CA C 66 51.166 55.387 -4.221 1
1 781 . 11 1 1 A 66 66 ALA CB C 66 23.771 32.790 -9.019 1
1 782 . 11 1 1 A 66 66 ALA N N 66 122.944 117.243 5.701 1
1 783 . 11 1 1 A 67 67 LEU H H 67 9.131 7.552 1.579 1
1 784 . 11 1 1 A 67 67 LEU HA H 67 5.498 3.334 2.164 1
1 794 . 11 1 1 A 67 67 LEU C C 67 174.489 174.786 -0.297 1
1 795 . 11 1 1 A 67 67 LEU CA C 67 53.987 56.456 -2.469 1
1 796 . 11 1 1 A 67 67 LEU CB C 67 44.080 27.835 16.245 1
1 800 . 11 1 1 A 67 67 LEU N N 67 118.646 117.397 1.249 1
1 801 . 11 1 1 A 68 68 TRP H H 68 9.934 6.206 3.728 1
1 802 . 11 1 1 A 68 68 TRP HA H 68 4.680 4.537 0.143 1
1 811 . 11 1 1 A 68 68 TRP C C 68 174.148 172.995 1.153 1
1 812 . 11 1 1 A 68 68 TRP CA C 68 55.276 57.299 -2.023 1
1 813 . 11 1 1 A 68 68 TRP CB C 68 30.222 31.208 -0.986 1
1 819 . 11 1 1 A 68 68 TRP N N 68 126.978 119.389 7.589 1
1 821 . 11 1 1 A 69 69 TRP H H 69 8.507 8.786 -0.279 1
1 822 . 11 1 1 A 69 69 TRP HA H 69 5.060 5.345 -0.285 1
1 831 . 11 1 1 A 69 69 TRP C C 69 175.837 176.115 -0.278 1
1 832 . 11 1 1 A 69 69 TRP CA C 69 52.520 56.286 -3.766 1
1 833 . 11 1 1 A 69 69 TRP CB C 69 30.500 31.399 -0.899 1
1 839 . 11 1 1 A 69 69 TRP N N 69 129.756 124.418 5.338 1
1 841 . 11 1 1 A 70 70 GLU H H 70 8.917 9.590 -0.673 1
1 842 . 11 1 1 A 70 70 GLU HA H 70 3.817 4.436 -0.619 1
1 847 . 11 1 1 A 70 70 GLU C C 70 179.449 176.992 2.457 1
1 848 . 11 1 1 A 70 70 GLU CA C 70 60.208 54.684 5.524 1
1 849 . 11 1 1 A 70 70 GLU CB C 70 29.937 40.974 -11.037 1
1 851 . 11 1 1 A 70 70 GLU N N 70 126.517 126.374 0.143 1
1 852 . 11 1 1 A 71 71 GLN H H 71 8.515 8.450 0.065 1
1 853 . 11 1 1 A 71 71 GLN HA H 71 3.782 4.592 -0.810 1
1 860 . 11 1 1 A 71 71 GLN C C 71 177.266 177.136 0.130 1
1 861 . 11 1 1 A 71 71 GLN CA C 71 61.006 54.280 6.726 1
1 862 . 11 1 1 A 71 71 GLN CB C 71 27.451 42.151 -14.700 1
1 864 . 11 1 1 A 71 71 GLN N N 71 114.822 126.077 -11.255 1
1 866 . 11 1 1 A 72 72 LYS H H 72 5.086 7.582 -2.496 1
1 867 . 11 1 1 A 72 72 LYS HA H 72 3.719 4.451 -0.732 1
1 876 . 11 1 1 A 72 72 LYS C C 72 174.268 177.425 -3.157 1
1 877 . 11 1 1 A 72 72 LYS CA C 72 53.864 55.393 -1.529 1
1 878 . 11 1 1 A 72 72 LYS CB C 72 33.242 30.157 3.085 1
1 882 . 11 1 1 A 72 72 LYS N N 72 112.499 120.611 -8.112 1
1 883 . 11 1 1 A 73 73 ARG H H 73 7.402 8.071 -0.669 1
1 884 . 11 1 1 A 73 73 ARG HA H 73 2.800 4.157 -1.357 1
1 892 . 11 1 1 A 73 73 ARG C C 73 173.935 175.650 -1.715 1
1 893 . 11 1 1 A 73 73 ARG CA C 73 56.187 64.831 -8.644 1
1 894 . 11 1 1 A 73 73 ARG CB C 73 26.602 68.792 -42.190 1
1 897 . 11 1 1 A 73 73 ARG N N 73 118.477 113.407 5.070 1
1 899 . 11 1 1 A 74 74 CYS H H 74 6.242 7.786 -1.544 1
1 900 . 11 1 1 A 74 74 CYS HA H 74 4.671 4.340 0.331 1
1 903 . 11 1 1 A 74 74 CYS C C 74 171.332 175.195 -3.863 1
1 904 . 11 1 1 A 74 74 CYS CA C 74 54.443 57.278 -2.835 1
1 905 . 11 1 1 A 74 74 CYS CB C 74 31.599 29.846 1.753 1
1 906 . 11 1 1 A 74 74 CYS N N 74 110.705 118.744 -8.039 1
1 907 . 11 1 1 A 75 75 TRP H H 75 8.567 7.964 0.603 1
1 908 . 11 1 1 A 75 75 TRP HA H 75 5.414 4.783 0.631 1
1 917 . 11 1 1 A 75 75 TRP C C 75 177.638 176.615 1.023 1
1 918 . 11 1 1 A 75 75 TRP CA C 75 55.720 56.689 -0.969 1
1 919 . 11 1 1 A 75 75 TRP CB C 75 30.966 30.891 0.075 1
1 925 . 11 1 1 A 75 75 TRP N N 75 120.876 119.950 0.926 1
1 927 . 11 1 1 A 76 76 LEU H H 76 9.181 8.923 0.258 1
1 928 . 11 1 1 A 76 76 LEU HA H 76 4.737 4.801 -0.064 1
1 938 . 11 1 1 A 76 76 LEU C C 76 175.745 176.321 -0.576 1
1 939 . 11 1 1 A 76 76 LEU CA C 76 53.729 60.578 -6.849 1
1 940 . 11 1 1 A 76 76 LEU CB C 76 40.810 71.482 -30.672 1
1 944 . 11 1 1 A 76 76 LEU N N 76 125.488 114.998 10.490 1
1 945 . 11 1 1 A 77 77 LEU H H 77 7.711 9.087 -1.376 1
1 946 . 11 1 1 A 77 77 LEU HA H 77 4.416 4.091 0.325 1
1 956 . 11 1 1 A 77 77 LEU C C 77 178.257 178.850 -0.593 1
1 957 . 11 1 1 A 77 77 LEU CA C 77 54.539 58.231 -3.692 1
1 958 . 11 1 1 A 77 77 LEU CB C 77 42.566 41.540 1.026 1
1 962 . 11 1 1 A 77 77 LEU N N 77 119.493 123.015 -3.522 1
1 963 . 11 1 1 A 78 78 LYS H H 78 8.173 8.368 -0.195 1
1 964 . 11 1 1 A 78 78 LYS HA H 78 4.380 4.443 -0.063 1
1 973 . 11 1 1 A 78 78 LYS C C 78 177.029 178.759 -1.730 1
1 974 . 11 1 1 A 78 78 LYS CA C 78 54.048 57.510 -3.462 1
1 975 . 11 1 1 A 78 78 LYS CB C 78 28.755 41.077 -12.322 1
1 979 . 11 1 1 A 78 78 LYS N N 78 121.730 119.582 2.148 1
1 980 . 11 1 1 A 79 79 THR H H 79 7.812 7.807 0.005 1
1 981 . 11 1 1 A 79 79 THR HA H 79 3.677 4.129 -0.452 1
1 986 . 11 1 1 A 79 79 THR C C 79 175.193 179.183 -3.990 1
1 987 . 11 1 1 A 79 79 THR CA C 79 64.890 58.793 6.097 1
1 988 . 11 1 1 A 79 79 THR CB C 79 68.447 31.937 36.510 1
1 990 . 11 1 1 A 79 79 THR N N 79 114.142 118.711 -4.569 1
1 991 . 11 1 1 A 80 80 HIS H H 80 8.929 8.012 0.917 1
1 992 . 11 1 1 A 80 80 HIS HA H 80 4.759 4.739 0.020 1
1 995 . 11 1 1 A 80 80 HIS C C 80 175.622 175.391 0.231 1
1 996 . 11 1 1 A 80 80 HIS CA C 80 56.078 59.992 -3.914 1
1 997 . 11 1 1 A 80 80 HIS CB C 80 29.927 28.069 1.858 1
1 998 . 11 1 1 A 80 80 HIS N N 80 117.372 115.423 1.949 1
1 999 . 11 1 1 A 81 81 TRP H H 81 8.544 8.469 0.075 1
1 1009 . 11 1 1 A 81 81 TRP C C 81 175.952 174.202 1.750 1
1 1010 . 11 1 1 A 81 81 TRP CA C 81 56.009 45.351 10.658 1
1 1017 . 11 1 1 A 81 81 TRP N N 81 122.512 108.643 13.869 1
1 1019 . 11 1 1 A 82 82 THR H H 82 7.587 7.523 0.064 1
1 1020 . 11 1 1 A 82 82 THR HA H 82 4.725 4.384 0.341 1
1 1025 . 11 1 1 A 82 82 THR C C 82 176.305 174.121 2.184 1
1 1026 . 11 1 1 A 82 82 THR CA C 82 60.250 60.605 -0.355 1
1 1027 . 11 1 1 A 82 82 THR CB C 82 70.601 32.496 38.105 1
1 1029 . 11 1 1 A 82 82 THR N N 82 109.728 121.583 -11.855 1
1 1030 . 11 1 1 A 83 83 LEU H H 83 8.354 8.501 -0.147 1
1 1031 . 11 1 1 A 83 83 LEU HA H 83 3.798 3.913 -0.115 1
1 1040 . 11 1 1 A 83 83 LEU C C 83 179.461 176.108 3.353 1
1 1041 . 11 1 1 A 83 83 LEU CA C 83 59.442 53.682 5.760 1
1 1042 . 11 1 1 A 83 83 LEU CB C 83 40.758 31.073 9.685 1
1 1045 . 11 1 1 A 83 83 LEU N N 83 122.120 126.603 -4.483 1
1 1046 . 11 1 1 A 84 84 ASP H H 84 8.985 8.071 0.914 1
1 1047 . 11 1 1 A 84 84 ASP HA H 84 4.427 4.162 0.265 1
1 1050 . 11 1 1 A 84 84 ASP C C 84 179.464 177.896 1.568 1
1 1051 . 11 1 1 A 84 84 ASP CA C 84 57.459 54.422 3.037 1
1 1052 . 11 1 1 A 84 84 ASP CB C 84 40.243 18.476 21.767 1
1 1053 . 11 1 1 A 84 84 ASP N N 84 118.020 122.282 -4.262 1
1 1054 . 11 1 1 A 85 85 LYS H H 85 8.134 8.117 0.017 1
1 1055 . 11 1 1 A 85 85 LYS HA H 85 3.820 4.568 -0.748 1
1 1064 . 11 1 1 A 85 85 LYS C C 85 178.824 176.214 2.610 1
1 1065 . 11 1 1 A 85 85 LYS CA C 85 59.103 54.298 4.805 1
1 1066 . 11 1 1 A 85 85 LYS CB C 85 32.229 40.183 -7.954 1
1 1070 . 11 1 1 A 85 85 LYS N N 85 123.380 114.526 8.854 1
1 1071 . 11 1 1 A 86 86 CYS H H 86 8.083 7.233 0.850 1
1 1072 . 11 1 1 A 86 86 CYS HA H 86 4.439 4.480 -0.041 1
1 1075 . 11 1 1 A 86 86 CYS C C 86 174.621 176.646 -2.025 1
1 1076 . 11 1 1 A 86 86 CYS CA C 86 61.800 51.471 10.329 1
1 1077 . 11 1 1 A 86 86 CYS CB C 86 28.700 19.828 8.872 1
1 1078 . 11 1 1 A 86 86 CYS N N 86 113.734 123.155 -9.421 1
1 1079 . 11 1 1 A 87 87 GLY H H 87 7.904 8.874 -0.970 1
1 1082 . 11 1 1 A 87 87 GLY C C 87 174.471 174.224 0.247 1
1 1083 . 11 1 1 A 87 87 GLY CA C 87 45.434 53.464 -8.030 1
1 1084 . 11 1 1 A 87 87 GLY N N 87 107.243 122.532 -15.289 1
1 1085 . 11 1 1 A 88 88 VAL H H 88 7.635 9.009 -1.374 1
1 1086 . 11 1 1 A 88 88 VAL HA H 88 3.165 5.364 -2.199 1
1 1094 . 11 1 1 A 88 88 VAL C C 88 173.926 174.271 -0.345 1
1 1095 . 11 1 1 A 88 88 VAL CA C 88 63.281 53.197 10.084 1
1 1096 . 11 1 1 A 88 88 VAL CB C 88 31.892 45.345 -13.453 1
1 1099 . 11 1 1 A 88 88 VAL N N 88 122.351 128.675 -6.324 1
1 1100 . 11 1 1 A 89 89 GLN H H 89 7.651 9.747 -2.096 1
1 1101 . 11 1 1 A 89 89 GLN HA H 89 3.946 5.840 -1.894 1
1 1108 . 11 1 1 A 89 89 GLN C C 89 175.629 174.424 1.205 1
1 1109 . 11 1 1 A 89 89 GLN CA C 89 53.861 52.871 0.990 1
1 1110 . 11 1 1 A 89 89 GLN CB C 89 31.010 46.613 -15.603 1
1 1112 . 11 1 1 A 89 89 GLN N N 89 125.820 127.645 -1.825 1
1 1114 . 11 1 1 A 90 90 ALA H H 90 7.025 9.463 -2.438 1
1 1115 . 11 1 1 A 90 90 ALA HA H 90 3.873 5.511 -1.638 1
1 1119 . 11 1 1 A 90 90 ALA C C 90 177.042 173.753 3.289 1
1 1120 . 11 1 1 A 90 90 ALA CA C 90 54.869 55.327 -0.458 1
1 1121 . 11 1 1 A 90 90 ALA CB C 90 18.818 42.122 -23.304 1
1 1122 . 11 1 1 A 90 90 ALA N N 90 118.713 127.018 -8.305 1
1 1123 . 11 1 1 A 91 91 ASP H H 91 8.310 8.627 -0.317 1
1 1124 . 11 1 1 A 91 91 ASP HA H 91 4.415 4.772 -0.357 1
1 1127 . 11 1 1 A 91 91 ASP C C 91 176.371 171.537 4.834 1
1 1128 . 11 1 1 A 91 91 ASP CA C 91 53.133 58.062 -4.929 1
1 1129 . 11 1 1 A 91 91 ASP CB C 91 39.673 72.478 -32.805 1
1 1130 . 11 1 1 A 91 91 ASP N N 91 113.050 121.484 -8.434 1
1 1132 . 11 1 1 A 92 92 ALA HA H 92 4.237 4.901 -0.664 1
1 1136 . 11 1 1 A 92 92 ALA C C 92 176.536 177.486 -0.950 1
1 1137 . 11 1 1 A 92 92 ALA CA C 92 53.721 63.115 -9.394 1
1 1138 . 11 1 1 A 92 92 ALA CB C 92 19.774 31.822 -12.048 1
1 1139 . 11 1 1 A 92 92 ALA N N 92 124.114 141.557 -17.443 1
1 1140 . 11 1 1 A 93 93 ASN H H 93 9.478 8.688 0.790 1
1 1141 . 11 1 1 A 93 93 ASN HA H 93 5.141 3.757 1.384 1
1 1146 . 11 1 1 A 93 93 ASN C C 93 173.906 175.794 -1.888 1
1 1147 . 11 1 1 A 93 93 ASN CA C 93 52.433 56.466 -4.033 1
1 1148 . 11 1 1 A 93 93 ASN CB C 93 38.547 27.224 11.323 1
1 1149 . 11 1 1 A 93 93 ASN N N 93 123.235 121.844 1.391 1
1 1151 . 11 1 1 A 94 94 LEU H H 94 8.675 7.860 0.815 1
1 1152 . 11 1 1 A 94 94 LEU HA H 94 5.429 4.529 0.900 1
1 1162 . 11 1 1 A 94 94 LEU C C 94 175.486 175.488 -0.002 1
1 1163 . 11 1 1 A 94 94 LEU CA C 94 53.003 54.094 -1.091 1
1 1164 . 11 1 1 A 94 94 LEU CB C 94 44.739 27.936 16.803 1
1 1168 . 11 1 1 A 94 94 LEU N N 94 122.901 121.097 1.804 1
1 1169 . 11 1 1 A 95 95 LEU H H 95 9.412 7.772 1.640 1
1 1170 . 11 1 1 A 95 95 LEU HA H 95 5.388 4.238 1.150 1
1 1180 . 11 1 1 A 95 95 LEU C C 95 174.403 175.232 -0.829 1
1 1181 . 11 1 1 A 95 95 LEU CA C 95 53.155 55.646 -2.491 1
1 1182 . 11 1 1 A 95 95 LEU CB C 95 46.432 32.642 13.790 1
1 1186 . 11 1 1 A 95 95 LEU N N 95 126.034 123.662 2.372 1
1 3 . 12 1 1 A 1 1 GLY C C 1 173.950 175.656 -1.706 1
1 4 . 12 1 1 A 1 1 GLY CA C 1 45.289 54.076 -8.787 1
1 5 . 12 1 1 A 2 2 ILE H H 2 8.026 8.831 -0.805 1
1 6 . 12 1 1 A 2 2 ILE HA H 2 4.518 4.486 0.032 1
1 16 . 12 1 1 A 2 2 ILE CA C 2 54.315 55.992 -1.677 1
1 17 . 12 1 1 A 2 2 ILE CB C 2 41.381 45.565 -4.184 1
1 21 . 12 1 1 A 2 2 ILE N N 2 120.237 130.034 -9.797 1
1 22 . 12 1 1 A 3 3 ASP H H 3 8.212 8.097 0.115 1
1 25 . 12 1 1 A 3 3 ASP CB C 3 41.116 61.280 -20.164 1
1 26 . 12 1 1 A 3 3 ASP N N 3 126.816 114.091 12.725 1
1 27 . 12 1 1 A 4 4 PRO HA H 4 3.818 4.610 -0.792 1
1 28 . 12 1 1 A 4 4 PRO C C 4 176.930 174.612 2.318 1
1 29 . 12 1 1 A 4 4 PRO CA C 4 63.589 57.333 6.256 1
1 30 . 12 1 1 A 5 5 PHE H H 5 8.214 8.789 -0.575 1
1 33 . 12 1 1 A 5 5 PHE C C 5 176.204 174.473 1.731 1
1 34 . 12 1 1 A 5 5 PHE CA C 5 58.089 45.188 12.901 1
1 36 . 12 1 1 A 5 5 PHE N N 5 118.317 114.513 3.804 1
1 37 . 12 1 1 A 6 6 THR H H 6 7.789 8.063 -0.274 1
1 38 . 12 1 1 A 6 6 THR HA H 6 4.268 4.622 -0.354 1
1 43 . 12 1 1 A 6 6 THR C C 6 174.096 176.141 -2.045 1
1 44 . 12 1 1 A 6 6 THR CA C 6 62.228 56.092 6.136 1
1 45 . 12 1 1 A 6 6 THR CB C 6 69.842 42.410 27.432 1
1 47 . 12 1 1 A 6 6 THR N N 6 114.242 119.019 -4.777 1
1 48 . 12 1 1 A 7 7 MET H H 7 8.077 8.203 -0.126 1
1 49 . 12 1 1 A 7 7 MET HA H 7 4.721 4.453 0.268 1
1 50 . 12 1 1 A 7 7 MET CA C 7 55.836 54.084 1.752 1
1 51 . 12 1 1 A 7 7 MET N N 7 121.684 120.207 1.477 1
1 52 . 12 1 1 A 8 8 LEU H H 8 8.043 8.225 -0.182 1
1 53 . 12 1 1 A 8 8 LEU HA H 8 4.322 4.395 -0.073 1
1 60 . 12 1 1 A 8 8 LEU CA C 8 55.142 62.147 -7.005 1
1 63 . 12 1 1 A 8 8 LEU N N 8 122.622 118.867 3.755 1
1 64 . 12 1 1 A 9 9 SER H H 9 8.263 7.720 0.543 1
1 65 . 12 1 1 A 9 9 SER HA H 9 4.318 4.402 -0.084 1
1 68 . 12 1 1 A 9 9 SER CA C 9 58.256 60.303 -2.047 1
1 69 . 12 1 1 A 9 9 SER CB C 9 63.851 62.918 0.933 1
1 70 . 12 1 1 A 9 9 SER N N 9 116.455 117.923 -1.468 1
1 71 . 12 1 1 A 10 10 SER H H 10 8.268 8.671 -0.403 1
1 72 . 12 1 1 A 10 10 SER HA H 10 4.418 3.923 0.495 1
1 75 . 12 1 1 A 10 10 SER C C 10 175.142 175.939 -0.797 1
1 76 . 12 1 1 A 10 10 SER CA C 10 58.684 52.971 5.713 1
1 77 . 12 1 1 A 10 10 SER CB C 10 63.935 17.485 46.450 1
1 78 . 12 1 1 A 10 10 SER N N 10 117.758 125.267 -7.509 1
1 79 . 12 1 1 A 11 11 GLY H H 11 8.300 7.839 0.461 1
1 82 . 12 1 1 A 11 11 GLY C C 11 176.844 173.231 3.613 1
1 83 . 12 1 1 A 11 11 GLY CA C 11 45.340 56.448 -11.108 1
1 84 . 12 1 1 A 11 11 GLY N N 11 110.621 111.231 -0.610 1
1 85 . 12 1 1 A 12 12 ASP H H 12 8.095 8.595 -0.500 1
1 86 . 12 1 1 A 12 12 ASP HA H 12 4.520 5.579 -1.059 1
1 89 . 12 1 1 A 12 12 ASP C C 12 176.422 173.642 2.780 1
1 90 . 12 1 1 A 12 12 ASP CA C 12 54.331 54.540 -0.209 1
1 91 . 12 1 1 A 12 12 ASP CB C 12 41.101 32.780 8.321 1
1 92 . 12 1 1 A 12 12 ASP N N 12 120.276 123.028 -2.752 1
1 93 . 12 1 1 A 13 13 LEU H H 13 8.259 8.841 -0.582 1
1 94 . 12 1 1 A 13 13 LEU HA H 13 4.326 4.745 -0.419 1
1 104 . 12 1 1 A 13 13 LEU C C 13 177.829 175.262 2.567 1
1 105 . 12 1 1 A 13 13 LEU CA C 13 55.426 56.364 -0.938 1
1 106 . 12 1 1 A 13 13 LEU CB C 13 42.043 30.257 11.786 1
1 110 . 12 1 1 A 13 13 LEU N N 13 122.645 120.187 2.458 1
1 111 . 12 1 1 A 14 14 THR H H 14 8.134 9.468 -1.334 1
1 112 . 12 1 1 A 14 14 THR HA H 14 4.265 5.131 -0.866 1
1 117 . 12 1 1 A 14 14 THR C C 14 174.821 174.850 -0.029 1
1 118 . 12 1 1 A 14 14 THR CA C 14 62.228 53.779 8.449 1
1 119 . 12 1 1 A 14 14 THR CB C 14 69.762 44.988 24.774 1
1 121 . 12 1 1 A 14 14 THR N N 14 114.338 127.854 -13.516 1
1 122 . 12 1 1 A 15 15 SER H H 15 8.181 9.097 -0.916 1
1 123 . 12 1 1 A 15 15 SER HA H 15 4.429 5.151 -0.722 1
1 126 . 12 1 1 A 15 15 SER C C 15 174.213 174.122 0.091 1
1 127 . 12 1 1 A 15 15 SER CA C 15 58.321 60.540 -2.219 1
1 128 . 12 1 1 A 15 15 SER CB C 15 63.826 33.764 30.062 1
1 129 . 12 1 1 A 15 15 SER N N 15 117.846 127.358 -9.512 1
1 130 . 12 1 1 A 16 16 ALA H H 16 8.284 9.589 -1.305 1
1 131 . 12 1 1 A 16 16 ALA HA H 16 4.395 4.675 -0.280 1
1 135 . 12 1 1 A 16 16 ALA C C 16 177.160 175.107 2.053 1
1 136 . 12 1 1 A 16 16 ALA CA C 16 52.623 61.015 -8.392 1
1 137 . 12 1 1 A 16 16 ALA CB C 16 19.390 34.002 -14.612 1
1 138 . 12 1 1 A 16 16 ALA N N 16 126.207 130.316 -4.109 1
1 139 . 12 1 1 A 17 17 SER H H 17 8.035 8.978 -0.943 1
1 140 . 12 1 1 A 17 17 SER HA H 17 4.891 4.789 0.102 1
1 143 . 12 1 1 A 17 17 SER C C 17 173.472 175.065 -1.593 1
1 144 . 12 1 1 A 17 17 SER CA C 17 57.547 55.883 1.664 1
1 145 . 12 1 1 A 17 17 SER CB C 17 65.420 30.963 34.457 1
1 146 . 12 1 1 A 17 17 SER N N 17 114.521 127.811 -13.290 1
1 147 . 12 1 1 A 18 18 TRP H H 18 8.523 9.357 -0.834 1
1 148 . 12 1 1 A 18 18 TRP HA H 18 4.787 4.607 0.180 1
1 157 . 12 1 1 A 18 18 TRP C C 18 173.910 174.427 -0.517 1
1 158 . 12 1 1 A 18 18 TRP CA C 18 55.331 62.483 -7.152 1
1 159 . 12 1 1 A 18 18 TRP CB C 18 30.044 32.586 -2.542 1
1 165 . 12 1 1 A 18 18 TRP N N 18 120.348 126.258 -5.910 1
1 167 . 12 1 1 A 19 19 GLU H H 19 8.542 9.665 -1.123 1
1 168 . 12 1 1 A 19 19 GLU HA H 19 4.957 4.982 -0.025 1
1 173 . 12 1 1 A 19 19 GLU C C 19 175.089 174.771 0.318 1
1 174 . 12 1 1 A 19 19 GLU CA C 19 55.735 52.552 3.183 1
1 175 . 12 1 1 A 19 19 GLU CB C 19 31.683 41.429 -9.746 1
1 177 . 12 1 1 A 19 19 GLU N N 19 117.964 128.465 -10.501 1
1 178 . 12 1 1 A 20 20 LEU H H 20 8.813 9.135 -0.322 1
1 179 . 12 1 1 A 20 20 LEU HA H 20 4.794 4.780 0.014 1
1 189 . 12 1 1 A 20 20 LEU C C 20 174.656 175.795 -1.139 1
1 190 . 12 1 1 A 20 20 LEU CA C 20 53.195 56.014 -2.819 1
1 191 . 12 1 1 A 20 20 LEU CB C 20 46.182 28.918 17.264 1
1 195 . 12 1 1 A 20 20 LEU N N 20 125.925 124.988 0.937 1
1 196 . 12 1 1 A 21 21 VAL H H 21 8.827 8.701 0.126 1
1 197 . 12 1 1 A 21 21 VAL HA H 21 4.499 3.934 0.565 1
1 205 . 12 1 1 A 21 21 VAL C C 21 176.157 178.932 -2.775 1
1 206 . 12 1 1 A 21 21 VAL CA C 21 62.260 55.187 7.073 1
1 207 . 12 1 1 A 21 21 VAL CB C 21 31.627 18.426 13.201 1
1 210 . 12 1 1 A 21 21 VAL N N 21 127.297 127.179 0.118 1
1 211 . 12 1 1 A 22 22 VAL H H 22 9.178 8.153 1.025 1
1 212 . 12 1 1 A 22 22 VAL HA H 22 4.348 4.800 -0.452 1
1 220 . 12 1 1 A 22 22 VAL C C 22 175.253 175.778 -0.525 1
1 221 . 12 1 1 A 22 22 VAL CA C 22 60.925 53.714 7.211 1
1 222 . 12 1 1 A 22 22 VAL CB C 22 34.352 39.288 -4.936 1
1 225 . 12 1 1 A 22 22 VAL N N 22 129.937 113.357 16.580 1
1 226 . 12 1 1 A 23 23 ARG H H 23 8.104 8.092 0.012 1
1 235 . 12 1 1 A 23 23 ARG C C 23 174.950 174.107 0.843 1
1 236 . 12 1 1 A 23 23 ARG CA C 23 55.516 44.280 11.236 1
1 240 . 12 1 1 A 23 23 ARG N N 23 125.848 107.982 17.866 1
1 242 . 12 1 1 A 24 24 VAL H H 24 9.325 8.385 0.940 1
1 243 . 12 1 1 A 24 24 VAL HA H 24 5.011 4.539 0.472 1
1 251 . 12 1 1 A 24 24 VAL C C 24 175.449 176.269 -0.820 1
1 252 . 12 1 1 A 24 24 VAL CA C 24 61.634 56.944 4.690 1
1 253 . 12 1 1 A 24 24 VAL CB C 24 33.928 31.379 2.549 1
1 256 . 12 1 1 A 24 24 VAL N N 24 124.136 117.770 6.366 1
1 257 . 12 1 1 A 25 25 ASP H H 25 8.414 7.676 0.738 1
1 258 . 12 1 1 A 25 25 ASP HA H 25 5.220 4.253 0.967 1
1 261 . 12 1 1 A 25 25 ASP C C 25 176.671 175.318 1.353 1
1 262 . 12 1 1 A 25 25 ASP CA C 25 52.956 55.906 -2.950 1
1 263 . 12 1 1 A 25 25 ASP CB C 25 43.473 29.121 14.352 1
1 264 . 12 1 1 A 25 25 ASP N N 25 126.172 120.768 5.404 1
1 265 . 12 1 1 A 26 26 HIS H H 26 9.152 8.792 0.360 1
1 266 . 12 1 1 A 26 26 HIS HA H 26 4.542 4.912 -0.370 1
1 271 . 12 1 1 A 26 26 HIS C C 26 174.917 174.947 -0.030 1
1 272 . 12 1 1 A 26 26 HIS CA C 26 56.700 55.926 0.774 1
1 273 . 12 1 1 A 26 26 HIS CB C 26 30.185 29.179 1.006 1
1 276 . 12 1 1 A 26 26 HIS N N 26 124.402 127.743 -3.341 1
1 277 . 12 1 1 A 27 27 ALA H H 27 9.121 8.639 0.482 1
1 278 . 12 1 1 A 27 27 ALA HA H 27 3.984 4.678 -0.694 1
1 282 . 12 1 1 A 27 27 ALA C C 27 176.927 174.030 2.897 1
1 283 . 12 1 1 A 27 27 ALA CA C 27 53.240 62.454 -9.214 1
1 284 . 12 1 1 A 27 27 ALA CB C 27 17.122 69.584 -52.462 1
1 285 . 12 1 1 A 27 27 ALA N N 27 121.895 122.937 -1.042 1
1 286 . 12 1 1 A 28 28 ASN H H 28 8.140 8.974 -0.834 1
1 287 . 12 1 1 A 28 28 ASN HA H 28 4.628 5.031 -0.403 1
1 292 . 12 1 1 A 28 28 ASN C C 28 176.389 175.297 1.092 1
1 293 . 12 1 1 A 28 28 ASN CA C 28 52.466 55.413 -2.947 1
1 294 . 12 1 1 A 28 28 ASN CB C 28 38.624 30.902 7.722 1
1 295 . 12 1 1 A 28 28 ASN N N 28 114.287 126.101 -11.814 1
1 297 . 12 1 1 A 29 29 GLY H H 29 8.254 9.341 -1.087 1
1 300 . 12 1 1 A 29 29 GLY C C 29 174.848 175.091 -0.243 1
1 301 . 12 1 1 A 29 29 GLY CA C 29 45.354 60.249 -14.895 1
1 302 . 12 1 1 A 29 29 GLY N N 29 108.650 126.835 -18.185 1
1 303 . 12 1 1 A 30 30 GLU H H 30 7.860 8.960 -1.100 1
1 304 . 12 1 1 A 30 30 GLU HA H 30 4.267 5.143 -0.876 1
1 309 . 12 1 1 A 30 30 GLU C C 30 176.802 173.896 2.906 1
1 310 . 12 1 1 A 30 30 GLU CA C 30 56.348 62.248 -5.900 1
1 311 . 12 1 1 A 30 30 GLU CB C 30 30.460 69.529 -39.069 1
1 313 . 12 1 1 A 30 30 GLU N N 30 119.375 123.793 -4.418 1
1 314 . 12 1 1 A 31 31 GLN H H 31 8.280 9.480 -1.200 1
1 315 . 12 1 1 A 31 31 GLN HA H 31 4.222 5.129 -0.907 1
1 322 . 12 1 1 A 31 31 GLN C C 31 175.995 175.321 0.674 1
1 323 . 12 1 1 A 31 31 GLN CA C 31 55.917 52.991 2.926 1
1 324 . 12 1 1 A 31 31 GLN CB C 31 30.002 44.673 -14.671 1
1 326 . 12 1 1 A 31 31 GLN N N 31 120.036 127.187 -7.151 1
1 328 . 12 1 1 A 32 32 GLN H H 32 7.520 8.876 -1.356 1
1 329 . 12 1 1 A 32 32 GLN HA H 32 4.905 4.741 0.164 1
1 336 . 12 1 1 A 32 32 GLN C C 32 176.112 175.885 0.227 1
1 337 . 12 1 1 A 32 32 GLN CA C 32 56.211 55.474 0.737 1
1 338 . 12 1 1 A 32 32 GLN CB C 32 30.863 31.195 -0.332 1
1 340 . 12 1 1 A 32 32 GLN N N 32 123.146 125.004 -1.858 1
1 342 . 12 1 1 A 33 33 THR H H 33 8.533 8.819 -0.286 1
1 343 . 12 1 1 A 33 33 THR HA H 33 4.621 4.866 -0.245 1
1 348 . 12 1 1 A 33 33 THR C C 33 173.112 174.397 -1.285 1
1 349 . 12 1 1 A 33 33 THR CA C 33 61.506 58.869 2.637 1
1 350 . 12 1 1 A 33 33 THR CB C 33 71.605 34.946 36.659 1
1 352 . 12 1 1 A 33 33 THR N N 33 118.233 121.116 -2.883 1
1 353 . 12 1 1 A 34 34 GLU H H 34 8.711 8.208 0.503 1
1 354 . 12 1 1 A 34 34 GLU HA H 34 4.939 4.791 0.148 1
1 359 . 12 1 1 A 34 34 GLU C C 34 175.108 175.769 -0.661 1
1 360 . 12 1 1 A 34 34 GLU CA C 34 55.553 56.091 -0.538 1
1 361 . 12 1 1 A 34 34 GLU CB C 34 31.950 65.939 -33.989 1
1 363 . 12 1 1 A 34 34 GLU N N 34 124.692 115.975 8.717 1
1 364 . 12 1 1 A 35 35 ILE H H 35 9.115 8.811 0.304 1
1 375 . 12 1 1 A 35 35 ILE C C 35 174.282 174.846 -0.564 1
1 376 . 12 1 1 A 35 35 ILE CA C 35 59.057 47.169 11.888 1
1 381 . 12 1 1 A 35 35 ILE N N 35 127.113 108.988 18.125 1
1 382 . 12 1 1 A 36 36 THR H H 36 8.545 7.797 0.748 1
1 383 . 12 1 1 A 36 36 THR HA H 36 4.772 4.701 0.071 1
1 388 . 12 1 1 A 36 36 THR C C 36 174.054 175.777 -1.723 1
1 389 . 12 1 1 A 36 36 THR CA C 36 62.257 53.696 8.561 1
1 390 . 12 1 1 A 36 36 THR CB C 36 68.948 41.087 27.861 1
1 392 . 12 1 1 A 36 36 THR N N 36 123.057 121.102 1.955 1
1 393 . 12 1 1 A 37 37 LEU H H 37 9.161 7.242 1.919 1
1 394 . 12 1 1 A 37 37 LEU HA H 37 4.503 4.388 0.115 1
1 404 . 12 1 1 A 37 37 LEU C C 37 175.047 176.054 -1.007 1
1 405 . 12 1 1 A 37 37 LEU CA C 37 52.646 54.540 -1.894 1
1 406 . 12 1 1 A 37 37 LEU CB C 37 45.951 43.292 2.659 1
1 410 . 12 1 1 A 37 37 LEU N N 37 128.195 121.163 7.032 1
1 411 . 12 1 1 A 38 38 ARG H H 38 8.258 8.840 -0.582 1
1 412 . 12 1 1 A 38 38 ARG HA H 38 4.556 5.110 -0.554 1
1 420 . 12 1 1 A 38 38 ARG C C 38 175.726 176.511 -0.785 1
1 421 . 12 1 1 A 38 38 ARG CA C 38 55.701 55.299 0.402 1
1 422 . 12 1 1 A 38 38 ARG CB C 38 29.601 31.235 -1.634 1
1 425 . 12 1 1 A 38 38 ARG N N 38 122.992 121.551 1.441 1
1 427 . 12 1 1 A 39 39 VAL H H 39 8.635 9.061 -0.426 1
1 428 . 12 1 1 A 39 39 VAL HA H 39 4.358 3.542 0.816 1
1 436 . 12 1 1 A 39 39 VAL C C 39 172.241 178.707 -6.466 1
1 437 . 12 1 1 A 39 39 VAL CA C 39 58.334 65.013 -6.679 1
1 438 . 12 1 1 A 39 39 VAL CB C 39 35.214 37.666 -2.452 1
1 441 . 12 1 1 A 39 39 VAL N N 39 118.388 120.864 -2.476 1
1 442 . 12 1 1 A 40 40 SER H H 40 6.388 8.122 -1.734 1
1 446 . 12 1 1 A 40 40 SER C C 40 175.046 176.582 -1.536 1
1 447 . 12 1 1 A 40 40 SER CA C 40 56.216 47.177 9.039 1
1 449 . 12 1 1 A 40 40 SER N N 40 108.799 108.452 0.347 1
1 450 . 12 1 1 A 41 41 GLY H H 41 9.085 7.738 1.347 1
1 451 . 12 1 1 A 41 41 GLY HA2 H 41 3.850 3.293 0.557 1
1 452 . 12 1 1 A 41 41 GLY HA3 H 41 4.321 3.540 0.781 1
1 453 . 12 1 1 A 41 41 GLY C C 41 173.137 175.752 -2.615 1
1 454 . 12 1 1 A 41 41 GLY CA C 41 47.346 46.583 0.763 1
1 455 . 12 1 1 A 41 41 GLY N N 41 107.767 109.411 -1.644 1
1 456 . 12 1 1 A 42 42 ASP H H 42 7.994 7.456 0.538 1
1 457 . 12 1 1 A 42 42 ASP HA H 42 4.498 3.544 0.954 1
1 460 . 12 1 1 A 42 42 ASP C C 42 175.609 177.417 -1.808 1
1 461 . 12 1 1 A 42 42 ASP CA C 42 53.241 65.569 -12.328 1
1 462 . 12 1 1 A 42 42 ASP CB C 42 40.331 31.496 8.835 1
1 463 . 12 1 1 A 42 42 ASP N N 42 112.956 121.657 -8.701 1
1 464 . 12 1 1 A 43 43 LEU H H 43 7.431 8.106 -0.675 1
1 465 . 12 1 1 A 43 43 LEU HA H 43 4.210 3.561 0.649 1
1 475 . 12 1 1 A 43 43 LEU C C 43 175.552 178.298 -2.746 1
1 476 . 12 1 1 A 43 43 LEU CA C 43 55.199 58.236 -3.037 1
1 477 . 12 1 1 A 43 43 LEU CB C 43 42.398 32.230 10.168 1
1 481 . 12 1 1 A 43 43 LEU N N 43 123.293 119.559 3.734 1
1 482 . 12 1 1 A 44 44 HIS H H 44 8.405 7.528 0.877 1
1 483 . 12 1 1 A 44 44 HIS HA H 44 5.154 3.956 1.198 1
1 488 . 12 1 1 A 44 44 HIS C C 44 177.511 178.695 -1.184 1
1 489 . 12 1 1 A 44 44 HIS CA C 44 54.692 57.794 -3.102 1
1 490 . 12 1 1 A 44 44 HIS CB C 44 30.868 41.469 -10.601 1
1 493 . 12 1 1 A 44 44 HIS N N 44 121.975 121.175 0.800 1
1 494 . 12 1 1 A 45 45 ILE H H 45 8.628 7.684 0.944 1
1 495 . 12 1 1 A 45 45 ILE HA H 45 3.445 4.115 -0.670 1
1 505 . 12 1 1 A 45 45 ILE C C 45 179.116 178.929 0.187 1
1 506 . 12 1 1 A 45 45 ILE CA C 45 62.585 59.605 2.980 1
1 507 . 12 1 1 A 45 45 ILE CB C 45 35.492 31.899 3.593 1
1 511 . 12 1 1 A 45 45 ILE N N 45 124.304 118.836 5.468 1
1 512 . 12 1 1 A 46 46 GLY H H 46 9.792 7.630 2.162 1
1 515 . 12 1 1 A 46 46 GLY C C 46 175.742 178.936 -3.194 1
1 516 . 12 1 1 A 46 46 GLY CA C 46 46.812 58.019 -11.207 1
1 517 . 12 1 1 A 46 46 GLY N N 46 106.610 120.072 -13.462 1
1 518 . 12 1 1 A 47 47 GLY H H 47 6.761 7.573 -0.812 1
1 521 . 12 1 1 A 47 47 GLY C C 47 176.182 178.036 -1.854 1
1 522 . 12 1 1 A 47 47 GLY CA C 47 46.819 66.819 -20.000 1
1 523 . 12 1 1 A 47 47 GLY N N 47 109.580 118.860 -9.280 1
1 524 . 12 1 1 A 48 48 VAL H H 48 7.669 8.108 -0.439 1
1 525 . 12 1 1 A 48 48 VAL HA H 48 3.083 3.984 -0.901 1
1 533 . 12 1 1 A 48 48 VAL C C 48 176.849 179.298 -2.449 1
1 534 . 12 1 1 A 48 48 VAL CA C 48 66.775 59.460 7.315 1
1 535 . 12 1 1 A 48 48 VAL CB C 48 30.944 29.431 1.513 1
1 538 . 12 1 1 A 48 48 VAL N N 48 123.461 118.810 4.651 1
1 539 . 12 1 1 A 49 49 MET H H 49 7.632 8.238 -0.606 1
1 540 . 12 1 1 A 49 49 MET HA H 49 3.143 4.065 -0.922 1
1 548 . 12 1 1 A 49 49 MET C C 49 176.774 178.221 -1.447 1
1 549 . 12 1 1 A 49 49 MET CA C 49 59.972 58.670 1.302 1
1 550 . 12 1 1 A 49 49 MET CB C 49 33.142 28.518 4.624 1
1 553 . 12 1 1 A 49 49 MET N N 49 115.691 119.678 -3.987 1
1 554 . 12 1 1 A 50 50 LEU H H 50 7.535 7.873 -0.338 1
1 555 . 12 1 1 A 50 50 LEU HA H 50 3.821 4.400 -0.579 1
1 565 . 12 1 1 A 50 50 LEU C C 50 179.001 176.077 2.924 1
1 566 . 12 1 1 A 50 50 LEU CA C 50 57.910 58.694 -0.784 1
1 567 . 12 1 1 A 50 50 LEU CB C 50 41.821 32.492 9.329 1
1 571 . 12 1 1 A 50 50 LEU N N 50 117.445 117.908 -0.463 1
1 572 . 12 1 1 A 51 51 LYS H H 51 7.447 8.091 -0.644 1
1 573 . 12 1 1 A 51 51 LYS HA H 51 3.880 4.491 -0.611 1
1 582 . 12 1 1 A 51 51 LYS C C 51 178.975 174.099 4.876 1
1 583 . 12 1 1 A 51 51 LYS CA C 51 59.003 53.996 5.007 1
1 584 . 12 1 1 A 51 51 LYS CB C 51 32.890 36.992 -4.102 1
1 588 . 12 1 1 A 51 51 LYS N N 51 118.306 117.180 1.126 1
1 589 . 12 1 1 A 52 52 LEU H H 52 7.547 7.335 0.212 1
1 590 . 12 1 1 A 52 52 LEU HA H 52 3.523 4.595 -1.072 1
1 600 . 12 1 1 A 52 52 LEU C C 52 177.676 174.939 2.737 1
1 601 . 12 1 1 A 52 52 LEU CA C 52 58.038 60.809 -2.771 1
1 602 . 12 1 1 A 52 52 LEU CB C 52 41.660 39.763 1.897 1
1 606 . 12 1 1 A 52 52 LEU N N 52 119.198 118.767 0.431 1
1 607 . 12 1 1 A 53 53 VAL H H 53 7.368 8.810 -1.442 1
1 608 . 12 1 1 A 53 53 VAL HA H 53 2.469 4.778 -2.309 1
1 616 . 12 1 1 A 53 53 VAL C C 53 179.189 177.167 2.022 1
1 617 . 12 1 1 A 53 53 VAL CA C 53 66.706 52.080 14.626 1
1 618 . 12 1 1 A 53 53 VAL CB C 53 31.343 18.897 12.446 1
1 621 . 12 1 1 A 53 53 VAL N N 53 117.879 131.729 -13.850 1
1 622 . 12 1 1 A 54 54 GLU H H 54 7.966 8.942 -0.976 1
1 623 . 12 1 1 A 54 54 GLU HA H 54 3.865 4.882 -1.017 1
1 628 . 12 1 1 A 54 54 GLU C C 54 178.593 174.206 4.387 1
1 629 . 12 1 1 A 54 54 GLU CA C 54 58.935 53.684 5.251 1
1 630 . 12 1 1 A 54 54 GLU CB C 54 29.772 32.705 -2.933 1
1 632 . 12 1 1 A 54 54 GLU N N 54 119.295 122.349 -3.054 1
1 633 . 12 1 1 A 55 55 GLN H H 55 7.651 8.721 -1.070 1
1 634 . 12 1 1 A 55 55 GLN HA H 55 4.005 4.884 -0.879 1
1 641 . 12 1 1 A 55 55 GLN C C 55 177.512 175.927 1.585 1
1 642 . 12 1 1 A 55 55 GLN CA C 55 57.362 53.254 4.108 1
1 643 . 12 1 1 A 55 55 GLN CB C 55 28.938 40.292 -11.354 1
1 645 . 12 1 1 A 55 55 GLN N N 55 116.036 120.173 -4.137 1
1 647 . 12 1 1 A 56 56 MET H H 56 7.691 8.523 -0.832 1
1 648 . 12 1 1 A 56 56 MET HA H 56 4.316 4.697 -0.381 1
1 656 . 12 1 1 A 56 56 MET C C 56 176.572 176.656 -0.084 1
1 657 . 12 1 1 A 56 56 MET CA C 56 56.492 57.193 -0.701 1
1 658 . 12 1 1 A 56 56 MET CB C 56 32.901 29.813 3.088 1
1 661 . 12 1 1 A 56 56 MET N N 56 117.664 126.105 -8.441 1
1 662 . 12 1 1 A 57 57 ASN H H 57 7.816 8.103 -0.287 1
1 663 . 12 1 1 A 57 57 ASN HA H 57 4.495 4.289 0.206 1
1 668 . 12 1 1 A 57 57 ASN C C 57 174.613 175.582 -0.969 1
1 669 . 12 1 1 A 57 57 ASN CA C 57 53.813 60.620 -6.807 1
1 670 . 12 1 1 A 57 57 ASN CB C 57 37.713 61.901 -24.188 1
1 671 . 12 1 1 A 57 57 ASN N N 57 115.864 114.276 1.588 1
1 673 . 12 1 1 A 58 58 ILE H H 58 8.391 8.808 -0.417 1
1 674 . 12 1 1 A 58 58 ILE HA H 58 4.284 4.435 -0.151 1
1 684 . 12 1 1 A 58 58 ILE C C 58 175.277 176.613 -1.336 1
1 685 . 12 1 1 A 58 58 ILE CA C 58 60.631 56.849 3.782 1
1 686 . 12 1 1 A 58 58 ILE CB C 58 41.470 41.060 0.410 1
1 690 . 12 1 1 A 58 58 ILE N N 58 117.760 126.333 -8.573 1
1 691 . 12 1 1 A 59 59 ALA H H 59 8.438 7.904 0.534 1
1 692 . 12 1 1 A 59 59 ALA HA H 59 4.535 4.544 -0.009 1
1 696 . 12 1 1 A 59 59 ALA C C 59 175.554 174.151 1.403 1
1 697 . 12 1 1 A 59 59 ALA CA C 59 51.604 59.700 -8.096 1
1 698 . 12 1 1 A 59 59 ALA CB C 59 17.256 37.895 -20.639 1
1 699 . 12 1 1 A 59 59 ALA N N 59 129.371 118.044 11.327 1
1 700 . 12 1 1 A 60 60 GLN H H 60 7.498 8.616 -1.118 1
1 701 . 12 1 1 A 60 60 GLN HA H 60 4.291 5.154 -0.863 1
1 708 . 12 1 1 A 60 60 GLN C C 60 172.908 175.896 -2.988 1
1 709 . 12 1 1 A 60 60 GLN CA C 60 53.492 51.599 1.893 1
1 710 . 12 1 1 A 60 60 GLN CB C 60 30.340 23.083 7.257 1
1 712 . 12 1 1 A 60 60 GLN N N 60 120.550 124.352 -3.802 1
1 714 . 12 1 1 A 61 61 ASP H H 61 8.086 8.882 -0.796 1
1 715 . 12 1 1 A 61 61 ASP HA H 61 4.622 5.367 -0.745 1
1 718 . 12 1 1 A 61 61 ASP C C 61 177.529 176.044 1.485 1
1 719 . 12 1 1 A 61 61 ASP CA C 61 53.520 54.320 -0.800 1
1 720 . 12 1 1 A 61 61 ASP CB C 61 40.493 43.583 -3.090 1
1 721 . 12 1 1 A 61 61 ASP N N 61 118.225 118.840 -0.615 1
1 722 . 12 1 1 A 62 62 TRP H H 62 8.999 9.790 -0.791 1
1 723 . 12 1 1 A 62 62 TRP HA H 62 4.578 5.122 -0.544 1
1 732 . 12 1 1 A 62 62 TRP C C 62 178.609 174.671 3.938 1
1 733 . 12 1 1 A 62 62 TRP CA C 62 57.200 54.612 2.588 1
1 734 . 12 1 1 A 62 62 TRP CB C 62 29.155 31.127 -1.972 1
1 740 . 12 1 1 A 62 62 TRP N N 62 129.134 126.526 2.608 1
1 742 . 12 1 1 A 63 63 SER H H 63 8.756 8.945 -0.189 1
1 743 . 12 1 1 A 63 63 SER HA H 63 4.127 4.697 -0.570 1
1 746 . 12 1 1 A 63 63 SER C C 63 175.119 175.451 -0.332 1
1 747 . 12 1 1 A 63 63 SER CA C 63 62.933 55.682 7.251 1
1 748 . 12 1 1 A 63 63 SER CB C 63 63.120 29.419 33.701 1
1 749 . 12 1 1 A 63 63 SER N N 63 119.231 129.576 -10.345 1
1 750 . 12 1 1 A 64 64 ASP H H 64 9.095 8.305 0.790 1
1 751 . 12 1 1 A 64 64 ASP HA H 64 4.876 3.572 1.304 1
1 754 . 12 1 1 A 64 64 ASP C C 64 177.267 178.094 -0.827 1
1 755 . 12 1 1 A 64 64 ASP CA C 64 54.157 59.354 -5.197 1
1 756 . 12 1 1 A 64 64 ASP CB C 64 43.116 29.066 14.050 1
1 757 . 12 1 1 A 64 64 ASP N N 64 120.137 126.035 -5.898 1
1 758 . 12 1 1 A 65 65 TYR H H 65 7.991 8.111 -0.120 1
1 759 . 12 1 1 A 65 65 TYR HA H 65 4.151 4.011 0.140 1
1 766 . 12 1 1 A 65 65 TYR C C 65 175.746 177.641 -1.895 1
1 767 . 12 1 1 A 65 65 TYR CA C 65 59.053 58.644 0.409 1
1 768 . 12 1 1 A 65 65 TYR CB C 65 38.836 28.214 10.622 1
1 773 . 12 1 1 A 65 65 TYR N N 65 121.458 118.981 2.477 1
1 774 . 12 1 1 A 66 66 ALA H H 66 8.698 7.019 1.679 1
1 775 . 12 1 1 A 66 66 ALA HA H 66 4.794 3.943 0.851 1
1 779 . 12 1 1 A 66 66 ALA C C 66 175.126 175.375 -0.249 1
1 780 . 12 1 1 A 66 66 ALA CA C 66 51.166 55.795 -4.629 1
1 781 . 12 1 1 A 66 66 ALA CB C 66 23.771 31.855 -8.084 1
1 782 . 12 1 1 A 66 66 ALA N N 66 122.944 116.715 6.229 1
1 783 . 12 1 1 A 67 67 LEU H H 67 9.131 7.164 1.967 1
1 784 . 12 1 1 A 67 67 LEU HA H 67 5.498 3.182 2.316 1
1 794 . 12 1 1 A 67 67 LEU C C 67 174.489 174.231 0.258 1
1 795 . 12 1 1 A 67 67 LEU CA C 67 53.987 56.667 -2.680 1
1 796 . 12 1 1 A 67 67 LEU CB C 67 44.080 27.735 16.345 1
1 800 . 12 1 1 A 67 67 LEU N N 67 118.646 116.026 2.620 1
1 801 . 12 1 1 A 68 68 TRP H H 68 9.934 6.795 3.139 1
1 802 . 12 1 1 A 68 68 TRP HA H 68 4.680 4.952 -0.272 1
1 811 . 12 1 1 A 68 68 TRP C C 68 174.148 172.925 1.223 1
1 812 . 12 1 1 A 68 68 TRP CA C 68 55.276 57.435 -2.159 1
1 813 . 12 1 1 A 68 68 TRP CB C 68 30.222 30.884 -0.662 1
1 819 . 12 1 1 A 68 68 TRP N N 68 126.978 116.086 10.892 1
1 821 . 12 1 1 A 69 69 TRP H H 69 8.507 9.065 -0.558 1
1 822 . 12 1 1 A 69 69 TRP HA H 69 5.060 5.600 -0.540 1
1 831 . 12 1 1 A 69 69 TRP C C 69 175.837 176.144 -0.307 1
1 832 . 12 1 1 A 69 69 TRP CA C 69 52.520 56.254 -3.734 1
1 833 . 12 1 1 A 69 69 TRP CB C 69 30.500 31.344 -0.844 1
1 839 . 12 1 1 A 69 69 TRP N N 69 129.756 125.637 4.119 1
1 841 . 12 1 1 A 70 70 GLU H H 70 8.917 9.616 -0.699 1
1 842 . 12 1 1 A 70 70 GLU HA H 70 3.817 4.521 -0.704 1
1 847 . 12 1 1 A 70 70 GLU C C 70 179.449 177.120 2.329 1
1 848 . 12 1 1 A 70 70 GLU CA C 70 60.208 54.805 5.403 1
1 849 . 12 1 1 A 70 70 GLU CB C 70 29.937 40.900 -10.963 1
1 851 . 12 1 1 A 70 70 GLU N N 70 126.517 126.575 -0.058 1
1 852 . 12 1 1 A 71 71 GLN H H 71 8.515 8.216 0.299 1
1 853 . 12 1 1 A 71 71 GLN HA H 71 3.782 4.805 -1.023 1
1 860 . 12 1 1 A 71 71 GLN C C 71 177.266 176.947 0.319 1
1 861 . 12 1 1 A 71 71 GLN CA C 71 61.006 54.209 6.797 1
1 862 . 12 1 1 A 71 71 GLN CB C 71 27.451 42.946 -15.495 1
1 864 . 12 1 1 A 71 71 GLN N N 71 114.822 125.905 -11.083 1
1 866 . 12 1 1 A 72 72 LYS H H 72 5.086 7.414 -2.328 1
1 867 . 12 1 1 A 72 72 LYS HA H 72 3.719 4.486 -0.767 1
1 876 . 12 1 1 A 72 72 LYS C C 72 174.268 177.495 -3.227 1
1 877 . 12 1 1 A 72 72 LYS CA C 72 53.864 54.879 -1.015 1
1 878 . 12 1 1 A 72 72 LYS CB C 72 33.242 29.853 3.389 1
1 882 . 12 1 1 A 72 72 LYS N N 72 112.499 120.395 -7.896 1
1 883 . 12 1 1 A 73 73 ARG H H 73 7.402 7.976 -0.574 1
1 884 . 12 1 1 A 73 73 ARG HA H 73 2.800 4.226 -1.426 1
1 892 . 12 1 1 A 73 73 ARG C C 73 173.935 175.763 -1.828 1
1 893 . 12 1 1 A 73 73 ARG CA C 73 56.187 64.653 -8.466 1
1 894 . 12 1 1 A 73 73 ARG CB C 73 26.602 69.006 -42.404 1
1 897 . 12 1 1 A 73 73 ARG N N 73 118.477 113.833 4.644 1
1 899 . 12 1 1 A 74 74 CYS H H 74 6.242 7.810 -1.568 1
1 900 . 12 1 1 A 74 74 CYS HA H 74 4.671 4.529 0.142 1
1 903 . 12 1 1 A 74 74 CYS C C 74 171.332 175.545 -4.213 1
1 904 . 12 1 1 A 74 74 CYS CA C 74 54.443 58.422 -3.979 1
1 905 . 12 1 1 A 74 74 CYS CB C 74 31.599 30.497 1.102 1
1 906 . 12 1 1 A 74 74 CYS N N 74 110.705 118.879 -8.174 1
1 907 . 12 1 1 A 75 75 TRP H H 75 8.567 7.762 0.805 1
1 908 . 12 1 1 A 75 75 TRP HA H 75 5.414 4.691 0.723 1
1 917 . 12 1 1 A 75 75 TRP C C 75 177.638 176.393 1.245 1
1 918 . 12 1 1 A 75 75 TRP CA C 75 55.720 57.409 -1.689 1
1 919 . 12 1 1 A 75 75 TRP CB C 75 30.966 30.188 0.778 1
1 925 . 12 1 1 A 75 75 TRP N N 75 120.876 119.575 1.301 1
1 927 . 12 1 1 A 76 76 LEU H H 76 9.181 8.851 0.330 1
1 928 . 12 1 1 A 76 76 LEU HA H 76 4.737 5.055 -0.318 1
1 938 . 12 1 1 A 76 76 LEU C C 76 175.745 176.501 -0.756 1
1 939 . 12 1 1 A 76 76 LEU CA C 76 53.729 60.311 -6.582 1
1 940 . 12 1 1 A 76 76 LEU CB C 76 40.810 71.801 -30.991 1
1 944 . 12 1 1 A 76 76 LEU N N 76 125.488 114.495 10.993 1
1 945 . 12 1 1 A 77 77 LEU H H 77 7.711 9.096 -1.385 1
1 946 . 12 1 1 A 77 77 LEU HA H 77 4.416 4.101 0.315 1
1 956 . 12 1 1 A 77 77 LEU C C 77 178.257 178.836 -0.579 1
1 957 . 12 1 1 A 77 77 LEU CA C 77 54.539 58.385 -3.846 1
1 958 . 12 1 1 A 77 77 LEU CB C 77 42.566 41.666 0.900 1
1 962 . 12 1 1 A 77 77 LEU N N 77 119.493 122.939 -3.446 1
1 963 . 12 1 1 A 78 78 LYS H H 78 8.173 8.648 -0.475 1
1 964 . 12 1 1 A 78 78 LYS HA H 78 4.380 4.423 -0.043 1
1 973 . 12 1 1 A 78 78 LYS C C 78 177.029 178.508 -1.479 1
1 974 . 12 1 1 A 78 78 LYS CA C 78 54.048 57.527 -3.479 1
1 975 . 12 1 1 A 78 78 LYS CB C 78 28.755 40.979 -12.224 1
1 979 . 12 1 1 A 78 78 LYS N N 78 121.730 119.080 2.650 1
1 980 . 12 1 1 A 79 79 THR H H 79 7.812 7.772 0.040 1
1 981 . 12 1 1 A 79 79 THR HA H 79 3.677 4.049 -0.372 1
1 986 . 12 1 1 A 79 79 THR C C 79 175.193 178.887 -3.694 1
1 987 . 12 1 1 A 79 79 THR CA C 79 64.890 59.144 5.746 1
1 988 . 12 1 1 A 79 79 THR CB C 79 68.447 32.105 36.342 1
1 990 . 12 1 1 A 79 79 THR N N 79 114.142 118.450 -4.308 1
1 991 . 12 1 1 A 80 80 HIS H H 80 8.929 8.021 0.908 1
1 992 . 12 1 1 A 80 80 HIS HA H 80 4.759 4.795 -0.036 1
1 995 . 12 1 1 A 80 80 HIS C C 80 175.622 175.151 0.471 1
1 996 . 12 1 1 A 80 80 HIS CA C 80 56.078 60.005 -3.927 1
1 997 . 12 1 1 A 80 80 HIS CB C 80 29.927 27.966 1.961 1
1 998 . 12 1 1 A 80 80 HIS N N 80 117.372 115.455 1.917 1
1 999 . 12 1 1 A 81 81 TRP H H 81 8.544 8.326 0.218 1
1 1009 . 12 1 1 A 81 81 TRP C C 81 175.952 174.363 1.589 1
1 1010 . 12 1 1 A 81 81 TRP CA C 81 56.009 45.131 10.878 1
1 1017 . 12 1 1 A 81 81 TRP N N 81 122.512 108.705 13.807 1
1 1019 . 12 1 1 A 82 82 THR H H 82 7.587 7.500 0.087 1
1 1020 . 12 1 1 A 82 82 THR HA H 82 4.725 4.092 0.633 1
1 1025 . 12 1 1 A 82 82 THR C C 82 176.305 174.604 1.701 1
1 1026 . 12 1 1 A 82 82 THR CA C 82 60.250 61.429 -1.179 1
1 1027 . 12 1 1 A 82 82 THR CB C 82 70.601 31.954 38.647 1
1 1029 . 12 1 1 A 82 82 THR N N 82 109.728 122.128 -12.400 1
1 1030 . 12 1 1 A 83 83 LEU H H 83 8.354 8.527 -0.173 1
1 1031 . 12 1 1 A 83 83 LEU HA H 83 3.798 3.829 -0.031 1
1 1040 . 12 1 1 A 83 83 LEU C C 83 179.461 175.900 3.561 1
1 1041 . 12 1 1 A 83 83 LEU CA C 83 59.442 53.560 5.882 1
1 1042 . 12 1 1 A 83 83 LEU CB C 83 40.758 30.953 9.805 1
1 1045 . 12 1 1 A 83 83 LEU N N 83 122.120 126.576 -4.456 1
1 1046 . 12 1 1 A 84 84 ASP H H 84 8.985 7.897 1.088 1
1 1047 . 12 1 1 A 84 84 ASP HA H 84 4.427 4.113 0.314 1
1 1050 . 12 1 1 A 84 84 ASP C C 84 179.464 177.266 2.198 1
1 1051 . 12 1 1 A 84 84 ASP CA C 84 57.459 54.392 3.067 1
1 1052 . 12 1 1 A 84 84 ASP CB C 84 40.243 18.506 21.737 1
1 1053 . 12 1 1 A 84 84 ASP N N 84 118.020 122.331 -4.311 1
1 1054 . 12 1 1 A 85 85 LYS H H 85 8.134 7.839 0.295 1
1 1055 . 12 1 1 A 85 85 LYS HA H 85 3.820 4.686 -0.866 1
1 1064 . 12 1 1 A 85 85 LYS C C 85 178.824 175.536 3.288 1
1 1065 . 12 1 1 A 85 85 LYS CA C 85 59.103 54.205 4.898 1
1 1066 . 12 1 1 A 85 85 LYS CB C 85 32.229 41.580 -9.351 1
1 1070 . 12 1 1 A 85 85 LYS N N 85 123.380 116.158 7.222 1
1 1071 . 12 1 1 A 86 86 CYS H H 86 8.083 7.194 0.889 1
1 1072 . 12 1 1 A 86 86 CYS HA H 86 4.439 4.613 -0.174 1
1 1075 . 12 1 1 A 86 86 CYS C C 86 174.621 176.676 -2.055 1
1 1076 . 12 1 1 A 86 86 CYS CA C 86 61.800 50.645 11.155 1
1 1077 . 12 1 1 A 86 86 CYS CB C 86 28.700 20.280 8.420 1
1 1078 . 12 1 1 A 86 86 CYS N N 86 113.734 122.958 -9.224 1
1 1079 . 12 1 1 A 87 87 GLY H H 87 7.904 8.867 -0.963 1
1 1082 . 12 1 1 A 87 87 GLY C C 87 174.471 174.304 0.167 1
1 1083 . 12 1 1 A 87 87 GLY CA C 87 45.434 53.138 -7.704 1
1 1084 . 12 1 1 A 87 87 GLY N N 87 107.243 122.028 -14.785 1
1 1085 . 12 1 1 A 88 88 VAL H H 88 7.635 8.945 -1.310 1
1 1086 . 12 1 1 A 88 88 VAL HA H 88 3.165 5.108 -1.943 1
1 1094 . 12 1 1 A 88 88 VAL C C 88 173.926 174.571 -0.645 1
1 1095 . 12 1 1 A 88 88 VAL CA C 88 63.281 53.403 9.878 1
1 1096 . 12 1 1 A 88 88 VAL CB C 88 31.892 44.827 -12.935 1
1 1099 . 12 1 1 A 88 88 VAL N N 88 122.351 128.866 -6.515 1
1 1100 . 12 1 1 A 89 89 GLN H H 89 7.651 9.291 -1.640 1
1 1101 . 12 1 1 A 89 89 GLN HA H 89 3.946 5.431 -1.485 1
1 1108 . 12 1 1 A 89 89 GLN C C 89 175.629 175.010 0.619 1
1 1109 . 12 1 1 A 89 89 GLN CA C 89 53.861 53.248 0.613 1
1 1110 . 12 1 1 A 89 89 GLN CB C 89 31.010 45.235 -14.225 1
1 1112 . 12 1 1 A 89 89 GLN N N 89 125.820 129.173 -3.353 1
1 1114 . 12 1 1 A 90 90 ALA H H 90 7.025 9.648 -2.623 1
1 1115 . 12 1 1 A 90 90 ALA HA H 90 3.873 5.464 -1.591 1
1 1119 . 12 1 1 A 90 90 ALA C C 90 177.042 174.343 2.699 1
1 1120 . 12 1 1 A 90 90 ALA CA C 90 54.869 55.944 -1.075 1
1 1121 . 12 1 1 A 90 90 ALA CB C 90 18.818 41.251 -22.433 1
1 1122 . 12 1 1 A 90 90 ALA N N 90 118.713 127.839 -9.126 1
1 1123 . 12 1 1 A 91 91 ASP H H 91 8.310 8.647 -0.337 1
1 1124 . 12 1 1 A 91 91 ASP HA H 91 4.415 4.780 -0.365 1
1 1127 . 12 1 1 A 91 91 ASP C C 91 176.371 171.007 5.364 1
1 1128 . 12 1 1 A 91 91 ASP CA C 91 53.133 58.132 -4.999 1
1 1129 . 12 1 1 A 91 91 ASP CB C 91 39.673 72.687 -33.014 1
1 1130 . 12 1 1 A 91 91 ASP N N 91 113.050 121.633 -8.583 1
1 1132 . 12 1 1 A 92 92 ALA HA H 92 4.237 3.689 0.548 1
1 1136 . 12 1 1 A 92 92 ALA C C 92 176.536 176.914 -0.378 1
1 1137 . 12 1 1 A 92 92 ALA CA C 92 53.721 62.178 -8.457 1
1 1138 . 12 1 1 A 92 92 ALA CB C 92 19.774 31.948 -12.174 1
1 1139 . 12 1 1 A 92 92 ALA N N 92 124.114 139.255 -15.141 1
1 1140 . 12 1 1 A 93 93 ASN H H 93 9.478 8.051 1.427 1
1 1141 . 12 1 1 A 93 93 ASN HA H 93 5.141 3.835 1.306 1
1 1146 . 12 1 1 A 93 93 ASN C C 93 173.906 175.978 -2.072 1
1 1147 . 12 1 1 A 93 93 ASN CA C 93 52.433 55.382 -2.949 1
1 1148 . 12 1 1 A 93 93 ASN CB C 93 38.547 27.132 11.415 1
1 1149 . 12 1 1 A 93 93 ASN N N 93 123.235 120.001 3.234 1
1 1151 . 12 1 1 A 94 94 LEU H H 94 8.675 8.533 0.142 1
1 1152 . 12 1 1 A 94 94 LEU HA H 94 5.429 4.317 1.112 1
1 1162 . 12 1 1 A 94 94 LEU C C 94 175.486 175.201 0.285 1
1 1163 . 12 1 1 A 94 94 LEU CA C 94 53.003 58.720 -5.717 1
1 1164 . 12 1 1 A 94 94 LEU CB C 94 44.739 30.260 14.479 1
1 1168 . 12 1 1 A 94 94 LEU N N 94 122.901 121.940 0.961 1
1 1169 . 12 1 1 A 95 95 LEU H H 95 9.412 8.026 1.386 1
1 1170 . 12 1 1 A 95 95 LEU HA H 95 5.388 4.174 1.214 1
1 1180 . 12 1 1 A 95 95 LEU C C 95 174.403 175.081 -0.678 1
1 1181 . 12 1 1 A 95 95 LEU CA C 95 53.155 54.849 -1.694 1
1 1182 . 12 1 1 A 95 95 LEU CB C 95 46.432 32.562 13.870 1
1 1186 . 12 1 1 A 95 95 LEU N N 95 126.034 116.868 9.166 1
1 3 . 13 1 1 A 1 1 GLY C C 1 173.950 176.055 -2.105 1
1 4 . 13 1 1 A 1 1 GLY CA C 1 45.289 56.297 -11.008 1
1 5 . 13 1 1 A 2 2 ILE H H 2 8.026 8.574 -0.548 1
1 6 . 13 1 1 A 2 2 ILE HA H 2 4.518 4.370 0.148 1
1 16 . 13 1 1 A 2 2 ILE CA C 2 54.315 54.947 -0.632 1
1 17 . 13 1 1 A 2 2 ILE CB C 2 41.381 41.487 -0.106 1
1 21 . 13 1 1 A 2 2 ILE N N 2 120.237 126.022 -5.785 1
1 22 . 13 1 1 A 3 3 ASP H H 3 8.212 8.828 -0.616 1
1 25 . 13 1 1 A 3 3 ASP CB C 3 41.116 62.548 -21.432 1
1 26 . 13 1 1 A 3 3 ASP N N 3 126.816 121.790 5.026 1
1 27 . 13 1 1 A 4 4 PRO HA H 4 3.818 4.356 -0.538 1
1 28 . 13 1 1 A 4 4 PRO C C 4 176.930 174.349 2.581 1
1 29 . 13 1 1 A 4 4 PRO CA C 4 63.589 59.931 3.658 1
1 30 . 13 1 1 A 5 5 PHE H H 5 8.214 8.747 -0.533 1
1 33 . 13 1 1 A 5 5 PHE C C 5 176.204 175.100 1.104 1
1 34 . 13 1 1 A 5 5 PHE CA C 5 58.089 46.806 11.283 1
1 36 . 13 1 1 A 5 5 PHE N N 5 118.317 107.975 10.342 1
1 37 . 13 1 1 A 6 6 THR H H 6 7.789 8.229 -0.440 1
1 38 . 13 1 1 A 6 6 THR HA H 6 4.268 4.794 -0.526 1
1 43 . 13 1 1 A 6 6 THR C C 6 174.096 175.349 -1.253 1
1 44 . 13 1 1 A 6 6 THR CA C 6 62.228 53.795 8.433 1
1 45 . 13 1 1 A 6 6 THR CB C 6 69.842 41.122 28.720 1
1 47 . 13 1 1 A 6 6 THR N N 6 114.242 117.763 -3.521 1
1 48 . 13 1 1 A 7 7 MET H H 7 8.077 7.486 0.591 1
1 49 . 13 1 1 A 7 7 MET HA H 7 4.721 4.341 0.380 1
1 50 . 13 1 1 A 7 7 MET CA C 7 55.836 54.732 1.104 1
1 51 . 13 1 1 A 7 7 MET N N 7 121.684 119.086 2.598 1
1 52 . 13 1 1 A 8 8 LEU H H 8 8.043 8.542 -0.499 1
1 53 . 13 1 1 A 8 8 LEU HA H 8 4.322 4.984 -0.662 1
1 60 . 13 1 1 A 8 8 LEU CA C 8 55.142 60.336 -5.194 1
1 63 . 13 1 1 A 8 8 LEU N N 8 122.622 117.572 5.050 1
1 64 . 13 1 1 A 9 9 SER H H 9 8.263 9.399 -1.136 1
1 65 . 13 1 1 A 9 9 SER HA H 9 4.318 4.432 -0.114 1
1 68 . 13 1 1 A 9 9 SER CA C 9 58.256 60.857 -2.601 1
1 69 . 13 1 1 A 9 9 SER CB C 9 63.851 63.955 -0.104 1
1 70 . 13 1 1 A 9 9 SER N N 9 116.455 120.658 -4.203 1
1 71 . 13 1 1 A 10 10 SER H H 10 8.268 7.252 1.016 1
1 72 . 13 1 1 A 10 10 SER HA H 10 4.418 4.674 -0.256 1
1 75 . 13 1 1 A 10 10 SER C C 10 175.142 175.529 -0.387 1
1 76 . 13 1 1 A 10 10 SER CA C 10 58.684 52.041 6.643 1
1 77 . 13 1 1 A 10 10 SER CB C 10 63.935 21.749 42.186 1
1 78 . 13 1 1 A 10 10 SER N N 10 117.758 119.573 -1.815 1
1 79 . 13 1 1 A 11 11 GLY H H 11 8.300 8.913 -0.613 1
1 82 . 13 1 1 A 11 11 GLY C C 11 176.844 173.734 3.110 1
1 83 . 13 1 1 A 11 11 GLY CA C 11 45.340 58.137 -12.797 1
1 84 . 13 1 1 A 11 11 GLY N N 11 110.621 120.431 -9.810 1
1 85 . 13 1 1 A 12 12 ASP H H 12 8.095 8.467 -0.372 1
1 86 . 13 1 1 A 12 12 ASP HA H 12 4.520 5.379 -0.859 1
1 89 . 13 1 1 A 12 12 ASP C C 12 176.422 173.987 2.435 1
1 90 . 13 1 1 A 12 12 ASP CA C 12 54.331 54.896 -0.565 1
1 91 . 13 1 1 A 12 12 ASP CB C 12 41.101 32.392 8.709 1
1 92 . 13 1 1 A 12 12 ASP N N 12 120.276 122.605 -2.329 1
1 93 . 13 1 1 A 13 13 LEU H H 13 8.259 8.855 -0.596 1
1 94 . 13 1 1 A 13 13 LEU HA H 13 4.326 4.752 -0.426 1
1 104 . 13 1 1 A 13 13 LEU C C 13 177.829 175.621 2.208 1
1 105 . 13 1 1 A 13 13 LEU CA C 13 55.426 56.894 -1.468 1
1 106 . 13 1 1 A 13 13 LEU CB C 13 42.043 30.349 11.694 1
1 110 . 13 1 1 A 13 13 LEU N N 13 122.645 120.613 2.032 1
1 111 . 13 1 1 A 14 14 THR H H 14 8.134 9.299 -1.165 1
1 112 . 13 1 1 A 14 14 THR HA H 14 4.265 5.256 -0.991 1
1 117 . 13 1 1 A 14 14 THR C C 14 174.821 174.676 0.145 1
1 118 . 13 1 1 A 14 14 THR CA C 14 62.228 53.697 8.531 1
1 119 . 13 1 1 A 14 14 THR CB C 14 69.762 45.980 23.782 1
1 121 . 13 1 1 A 14 14 THR N N 14 114.338 127.699 -13.361 1
1 122 . 13 1 1 A 15 15 SER H H 15 8.181 8.959 -0.778 1
1 123 . 13 1 1 A 15 15 SER HA H 15 4.429 4.829 -0.400 1
1 126 . 13 1 1 A 15 15 SER C C 15 174.213 174.085 0.128 1
1 127 . 13 1 1 A 15 15 SER CA C 15 58.321 61.159 -2.838 1
1 128 . 13 1 1 A 15 15 SER CB C 15 63.826 32.717 31.109 1
1 129 . 13 1 1 A 15 15 SER N N 15 117.846 127.103 -9.257 1
1 130 . 13 1 1 A 16 16 ALA H H 16 8.284 9.443 -1.159 1
1 131 . 13 1 1 A 16 16 ALA HA H 16 4.395 4.693 -0.298 1
1 135 . 13 1 1 A 16 16 ALA C C 16 177.160 174.993 2.167 1
1 136 . 13 1 1 A 16 16 ALA CA C 16 52.623 60.932 -8.309 1
1 137 . 13 1 1 A 16 16 ALA CB C 16 19.390 34.410 -15.020 1
1 138 . 13 1 1 A 16 16 ALA N N 16 126.207 130.314 -4.107 1
1 139 . 13 1 1 A 17 17 SER H H 17 8.035 9.031 -0.996 1
1 140 . 13 1 1 A 17 17 SER HA H 17 4.891 5.083 -0.192 1
1 143 . 13 1 1 A 17 17 SER C C 17 173.472 175.142 -1.670 1
1 144 . 13 1 1 A 17 17 SER CA C 17 57.547 55.683 1.864 1
1 145 . 13 1 1 A 17 17 SER CB C 17 65.420 30.971 34.449 1
1 146 . 13 1 1 A 17 17 SER N N 17 114.521 127.672 -13.151 1
1 147 . 13 1 1 A 18 18 TRP H H 18 8.523 9.336 -0.813 1
1 148 . 13 1 1 A 18 18 TRP HA H 18 4.787 4.818 -0.031 1
1 157 . 13 1 1 A 18 18 TRP C C 18 173.910 174.321 -0.411 1
1 158 . 13 1 1 A 18 18 TRP CA C 18 55.331 62.220 -6.889 1
1 159 . 13 1 1 A 18 18 TRP CB C 18 30.044 32.275 -2.231 1
1 165 . 13 1 1 A 18 18 TRP N N 18 120.348 126.000 -5.652 1
1 167 . 13 1 1 A 19 19 GLU H H 19 8.542 9.362 -0.820 1
1 168 . 13 1 1 A 19 19 GLU HA H 19 4.957 4.926 0.031 1
1 173 . 13 1 1 A 19 19 GLU C C 19 175.089 174.653 0.436 1
1 174 . 13 1 1 A 19 19 GLU CA C 19 55.735 52.540 3.195 1
1 175 . 13 1 1 A 19 19 GLU CB C 19 31.683 41.435 -9.752 1
1 177 . 13 1 1 A 19 19 GLU N N 19 117.964 128.503 -10.539 1
1 178 . 13 1 1 A 20 20 LEU H H 20 8.813 8.668 0.145 1
1 179 . 13 1 1 A 20 20 LEU HA H 20 4.794 4.776 0.018 1
1 189 . 13 1 1 A 20 20 LEU C C 20 174.656 174.379 0.277 1
1 190 . 13 1 1 A 20 20 LEU CA C 20 53.195 55.665 -2.470 1
1 191 . 13 1 1 A 20 20 LEU CB C 20 46.182 28.923 17.259 1
1 195 . 13 1 1 A 20 20 LEU N N 20 125.925 125.366 0.559 1
1 196 . 13 1 1 A 21 21 VAL H H 21 8.827 8.423 0.404 1
1 197 . 13 1 1 A 21 21 VAL HA H 21 4.499 4.259 0.240 1
1 205 . 13 1 1 A 21 21 VAL C C 21 176.157 176.706 -0.549 1
1 206 . 13 1 1 A 21 21 VAL CA C 21 62.260 51.813 10.447 1
1 207 . 13 1 1 A 21 21 VAL CB C 21 31.627 17.431 14.196 1
1 210 . 13 1 1 A 21 21 VAL N N 21 127.297 128.941 -1.644 1
1 211 . 13 1 1 A 22 22 VAL H H 22 9.178 8.483 0.695 1
1 212 . 13 1 1 A 22 22 VAL HA H 22 4.348 5.042 -0.694 1
1 220 . 13 1 1 A 22 22 VAL C C 22 175.253 176.215 -0.962 1
1 221 . 13 1 1 A 22 22 VAL CA C 22 60.925 53.421 7.504 1
1 222 . 13 1 1 A 22 22 VAL CB C 22 34.352 40.074 -5.722 1
1 225 . 13 1 1 A 22 22 VAL N N 22 129.937 117.932 12.005 1
1 226 . 13 1 1 A 23 23 ARG H H 23 8.104 7.754 0.350 1
1 235 . 13 1 1 A 23 23 ARG C C 23 174.950 173.668 1.282 1
1 236 . 13 1 1 A 23 23 ARG CA C 23 55.516 45.667 9.849 1
1 240 . 13 1 1 A 23 23 ARG N N 23 125.848 105.430 20.418 1
1 242 . 13 1 1 A 24 24 VAL H H 24 9.325 7.854 1.471 1
1 243 . 13 1 1 A 24 24 VAL HA H 24 5.011 4.728 0.283 1
1 251 . 13 1 1 A 24 24 VAL C C 24 175.449 174.909 0.540 1
1 252 . 13 1 1 A 24 24 VAL CA C 24 61.634 54.802 6.832 1
1 253 . 13 1 1 A 24 24 VAL CB C 24 33.928 32.579 1.349 1
1 256 . 13 1 1 A 24 24 VAL N N 24 124.136 119.708 4.428 1
1 257 . 13 1 1 A 25 25 ASP H H 25 8.414 8.315 0.099 1
1 258 . 13 1 1 A 25 25 ASP HA H 25 5.220 4.779 0.441 1
1 261 . 13 1 1 A 25 25 ASP C C 25 176.671 175.615 1.056 1
1 262 . 13 1 1 A 25 25 ASP CA C 25 52.956 54.175 -1.219 1
1 263 . 13 1 1 A 25 25 ASP CB C 25 43.473 32.233 11.240 1
1 264 . 13 1 1 A 25 25 ASP N N 25 126.172 118.642 7.530 1
1 265 . 13 1 1 A 26 26 HIS H H 26 9.152 8.398 0.754 1
1 266 . 13 1 1 A 26 26 HIS HA H 26 4.542 5.027 -0.485 1
1 271 . 13 1 1 A 26 26 HIS C C 26 174.917 174.940 -0.023 1
1 272 . 13 1 1 A 26 26 HIS CA C 26 56.700 55.899 0.801 1
1 273 . 13 1 1 A 26 26 HIS CB C 26 30.185 29.226 0.959 1
1 276 . 13 1 1 A 26 26 HIS N N 26 124.402 119.934 4.468 1
1 277 . 13 1 1 A 27 27 ALA H H 27 9.121 9.210 -0.089 1
1 278 . 13 1 1 A 27 27 ALA HA H 27 3.984 4.527 -0.543 1
1 282 . 13 1 1 A 27 27 ALA C C 27 176.927 174.311 2.616 1
1 283 . 13 1 1 A 27 27 ALA CA C 27 53.240 63.782 -10.542 1
1 284 . 13 1 1 A 27 27 ALA CB C 27 17.122 69.545 -52.423 1
1 285 . 13 1 1 A 27 27 ALA N N 27 121.895 121.163 0.732 1
1 286 . 13 1 1 A 28 28 ASN H H 28 8.140 8.789 -0.649 1
1 287 . 13 1 1 A 28 28 ASN HA H 28 4.628 4.724 -0.096 1
1 292 . 13 1 1 A 28 28 ASN C C 28 176.389 175.327 1.062 1
1 293 . 13 1 1 A 28 28 ASN CA C 28 52.466 55.956 -3.490 1
1 294 . 13 1 1 A 28 28 ASN CB C 28 38.624 30.215 8.409 1
1 295 . 13 1 1 A 28 28 ASN N N 28 114.287 127.140 -12.853 1
1 297 . 13 1 1 A 29 29 GLY H H 29 8.254 9.329 -1.075 1
1 300 . 13 1 1 A 29 29 GLY C C 29 174.848 174.984 -0.136 1
1 301 . 13 1 1 A 29 29 GLY CA C 29 45.354 60.148 -14.794 1
1 302 . 13 1 1 A 29 29 GLY N N 29 108.650 125.918 -17.268 1
1 303 . 13 1 1 A 30 30 GLU H H 30 7.860 9.023 -1.163 1
1 304 . 13 1 1 A 30 30 GLU HA H 30 4.267 4.914 -0.647 1
1 309 . 13 1 1 A 30 30 GLU C C 30 176.802 173.984 2.818 1
1 310 . 13 1 1 A 30 30 GLU CA C 30 56.348 62.306 -5.958 1
1 311 . 13 1 1 A 30 30 GLU CB C 30 30.460 69.315 -38.855 1
1 313 . 13 1 1 A 30 30 GLU N N 30 119.375 123.693 -4.318 1
1 314 . 13 1 1 A 31 31 GLN H H 31 8.280 9.428 -1.148 1
1 315 . 13 1 1 A 31 31 GLN HA H 31 4.222 5.048 -0.826 1
1 322 . 13 1 1 A 31 31 GLN C C 31 175.995 175.467 0.528 1
1 323 . 13 1 1 A 31 31 GLN CA C 31 55.917 53.030 2.887 1
1 324 . 13 1 1 A 31 31 GLN CB C 31 30.002 44.879 -14.877 1
1 326 . 13 1 1 A 31 31 GLN N N 31 120.036 128.094 -8.058 1
1 328 . 13 1 1 A 32 32 GLN H H 32 7.520 8.765 -1.245 1
1 329 . 13 1 1 A 32 32 GLN HA H 32 4.905 4.677 0.228 1
1 336 . 13 1 1 A 32 32 GLN C C 32 176.112 175.851 0.261 1
1 337 . 13 1 1 A 32 32 GLN CA C 32 56.211 55.453 0.758 1
1 338 . 13 1 1 A 32 32 GLN CB C 32 30.863 31.157 -0.294 1
1 340 . 13 1 1 A 32 32 GLN N N 32 123.146 124.048 -0.902 1
1 342 . 13 1 1 A 33 33 THR H H 33 8.533 8.368 0.165 1
1 343 . 13 1 1 A 33 33 THR HA H 33 4.621 4.857 -0.236 1
1 348 . 13 1 1 A 33 33 THR C C 33 173.112 173.818 -0.706 1
1 349 . 13 1 1 A 33 33 THR CA C 33 61.506 58.670 2.836 1
1 350 . 13 1 1 A 33 33 THR CB C 33 71.605 35.648 35.957 1
1 352 . 13 1 1 A 33 33 THR N N 33 118.233 120.540 -2.307 1
1 353 . 13 1 1 A 34 34 GLU H H 34 8.711 8.360 0.351 1
1 354 . 13 1 1 A 34 34 GLU HA H 34 4.939 4.499 0.440 1
1 359 . 13 1 1 A 34 34 GLU C C 34 175.108 174.890 0.218 1
1 360 . 13 1 1 A 34 34 GLU CA C 34 55.553 57.236 -1.683 1
1 361 . 13 1 1 A 34 34 GLU CB C 34 31.950 67.471 -35.521 1
1 363 . 13 1 1 A 34 34 GLU N N 34 124.692 117.175 7.517 1
1 364 . 13 1 1 A 35 35 ILE H H 35 9.115 9.199 -0.084 1
1 375 . 13 1 1 A 35 35 ILE C C 35 174.282 174.717 -0.435 1
1 376 . 13 1 1 A 35 35 ILE CA C 35 59.057 47.354 11.703 1
1 381 . 13 1 1 A 35 35 ILE N N 35 127.113 112.083 15.030 1
1 382 . 13 1 1 A 36 36 THR H H 36 8.545 7.868 0.677 1
1 383 . 13 1 1 A 36 36 THR HA H 36 4.772 4.702 0.070 1
1 388 . 13 1 1 A 36 36 THR C C 36 174.054 176.108 -2.054 1
1 389 . 13 1 1 A 36 36 THR CA C 36 62.257 54.579 7.678 1
1 390 . 13 1 1 A 36 36 THR CB C 36 68.948 41.295 27.653 1
1 392 . 13 1 1 A 36 36 THR N N 36 123.057 119.160 3.897 1
1 393 . 13 1 1 A 37 37 LEU H H 37 9.161 7.425 1.736 1
1 394 . 13 1 1 A 37 37 LEU HA H 37 4.503 4.317 0.186 1
1 404 . 13 1 1 A 37 37 LEU C C 37 175.047 175.707 -0.660 1
1 405 . 13 1 1 A 37 37 LEU CA C 37 52.646 54.943 -2.297 1
1 406 . 13 1 1 A 37 37 LEU CB C 37 45.951 43.173 2.778 1
1 410 . 13 1 1 A 37 37 LEU N N 37 128.195 122.567 5.628 1
1 411 . 13 1 1 A 38 38 ARG H H 38 8.258 8.724 -0.466 1
1 412 . 13 1 1 A 38 38 ARG HA H 38 4.556 5.162 -0.606 1
1 420 . 13 1 1 A 38 38 ARG C C 38 175.726 176.564 -0.838 1
1 421 . 13 1 1 A 38 38 ARG CA C 38 55.701 54.938 0.763 1
1 422 . 13 1 1 A 38 38 ARG CB C 38 29.601 31.799 -2.198 1
1 425 . 13 1 1 A 38 38 ARG N N 38 122.992 120.830 2.162 1
1 427 . 13 1 1 A 39 39 VAL H H 39 8.635 9.241 -0.606 1
1 428 . 13 1 1 A 39 39 VAL HA H 39 4.358 3.547 0.811 1
1 436 . 13 1 1 A 39 39 VAL C C 39 172.241 178.773 -6.532 1
1 437 . 13 1 1 A 39 39 VAL CA C 39 58.334 64.995 -6.661 1
1 438 . 13 1 1 A 39 39 VAL CB C 39 35.214 37.776 -2.562 1
1 441 . 13 1 1 A 39 39 VAL N N 39 118.388 120.519 -2.131 1
1 442 . 13 1 1 A 40 40 SER H H 40 6.388 8.563 -2.175 1
1 446 . 13 1 1 A 40 40 SER C C 40 175.046 176.838 -1.792 1
1 447 . 13 1 1 A 40 40 SER CA C 40 56.216 47.281 8.935 1
1 449 . 13 1 1 A 40 40 SER N N 40 108.799 108.579 0.220 1
1 450 . 13 1 1 A 41 41 GLY H H 41 9.085 7.974 1.111 1
1 451 . 13 1 1 A 41 41 GLY HA2 H 41 3.850 3.245 0.605 1
1 452 . 13 1 1 A 41 41 GLY HA3 H 41 4.321 3.535 0.786 1
1 453 . 13 1 1 A 41 41 GLY C C 41 173.137 175.756 -2.619 1
1 454 . 13 1 1 A 41 41 GLY CA C 41 47.346 46.450 0.896 1
1 455 . 13 1 1 A 41 41 GLY N N 41 107.767 109.520 -1.753 1
1 456 . 13 1 1 A 42 42 ASP H H 42 7.994 7.436 0.558 1
1 457 . 13 1 1 A 42 42 ASP HA H 42 4.498 3.557 0.941 1
1 460 . 13 1 1 A 42 42 ASP C C 42 175.609 178.067 -2.458 1
1 461 . 13 1 1 A 42 42 ASP CA C 42 53.241 65.696 -12.455 1
1 462 . 13 1 1 A 42 42 ASP CB C 42 40.331 31.486 8.845 1
1 463 . 13 1 1 A 42 42 ASP N N 42 112.956 121.624 -8.668 1
1 464 . 13 1 1 A 43 43 LEU H H 43 7.431 7.819 -0.388 1
1 465 . 13 1 1 A 43 43 LEU HA H 43 4.210 3.574 0.636 1
1 475 . 13 1 1 A 43 43 LEU C C 43 175.552 178.179 -2.627 1
1 476 . 13 1 1 A 43 43 LEU CA C 43 55.199 58.015 -2.816 1
1 477 . 13 1 1 A 43 43 LEU CB C 43 42.398 31.894 10.504 1
1 481 . 13 1 1 A 43 43 LEU N N 43 123.293 117.162 6.131 1
1 482 . 13 1 1 A 44 44 HIS H H 44 8.405 7.814 0.591 1
1 483 . 13 1 1 A 44 44 HIS HA H 44 5.154 3.914 1.240 1
1 488 . 13 1 1 A 44 44 HIS C C 44 177.511 178.519 -1.008 1
1 489 . 13 1 1 A 44 44 HIS CA C 44 54.692 58.298 -3.606 1
1 490 . 13 1 1 A 44 44 HIS CB C 44 30.868 41.801 -10.933 1
1 493 . 13 1 1 A 44 44 HIS N N 44 121.975 121.803 0.172 1
1 494 . 13 1 1 A 45 45 ILE H H 45 8.628 8.076 0.552 1
1 495 . 13 1 1 A 45 45 ILE HA H 45 3.445 3.930 -0.485 1
1 505 . 13 1 1 A 45 45 ILE C C 45 179.116 178.951 0.165 1
1 506 . 13 1 1 A 45 45 ILE CA C 45 62.585 59.684 2.901 1
1 507 . 13 1 1 A 45 45 ILE CB C 45 35.492 31.934 3.558 1
1 511 . 13 1 1 A 45 45 ILE N N 45 124.304 118.553 5.751 1
1 512 . 13 1 1 A 46 46 GLY H H 46 9.792 7.852 1.940 1
1 515 . 13 1 1 A 46 46 GLY C C 46 175.742 179.177 -3.435 1
1 516 . 13 1 1 A 46 46 GLY CA C 46 46.812 58.043 -11.231 1
1 517 . 13 1 1 A 46 46 GLY N N 46 106.610 120.137 -13.527 1
1 518 . 13 1 1 A 47 47 GLY H H 47 6.761 7.961 -1.200 1
1 521 . 13 1 1 A 47 47 GLY C C 47 176.182 178.007 -1.825 1
1 522 . 13 1 1 A 47 47 GLY CA C 47 46.819 66.570 -19.751 1
1 523 . 13 1 1 A 47 47 GLY N N 47 109.580 118.058 -8.478 1
1 524 . 13 1 1 A 48 48 VAL H H 48 7.669 8.393 -0.724 1
1 525 . 13 1 1 A 48 48 VAL HA H 48 3.083 4.002 -0.919 1
1 533 . 13 1 1 A 48 48 VAL C C 48 176.849 178.786 -1.937 1
1 534 . 13 1 1 A 48 48 VAL CA C 48 66.775 58.879 7.896 1
1 535 . 13 1 1 A 48 48 VAL CB C 48 30.944 28.723 2.221 1
1 538 . 13 1 1 A 48 48 VAL N N 48 123.461 119.243 4.218 1
1 539 . 13 1 1 A 49 49 MET H H 49 7.632 8.073 -0.441 1
1 540 . 13 1 1 A 49 49 MET HA H 49 3.143 4.051 -0.908 1
1 548 . 13 1 1 A 49 49 MET C C 49 176.774 178.410 -1.636 1
1 549 . 13 1 1 A 49 49 MET CA C 49 59.972 58.529 1.443 1
1 550 . 13 1 1 A 49 49 MET CB C 49 33.142 28.436 4.706 1
1 553 . 13 1 1 A 49 49 MET N N 49 115.691 119.795 -4.104 1
1 554 . 13 1 1 A 50 50 LEU H H 50 7.535 7.885 -0.350 1
1 555 . 13 1 1 A 50 50 LEU HA H 50 3.821 4.188 -0.367 1
1 565 . 13 1 1 A 50 50 LEU C C 50 179.001 176.360 2.641 1
1 566 . 13 1 1 A 50 50 LEU CA C 50 57.910 59.166 -1.256 1
1 567 . 13 1 1 A 50 50 LEU CB C 50 41.821 32.639 9.182 1
1 571 . 13 1 1 A 50 50 LEU N N 50 117.445 118.894 -1.449 1
1 572 . 13 1 1 A 51 51 LYS H H 51 7.447 8.402 -0.955 1
1 573 . 13 1 1 A 51 51 LYS HA H 51 3.880 4.466 -0.586 1
1 582 . 13 1 1 A 51 51 LYS C C 51 178.975 174.154 4.821 1
1 583 . 13 1 1 A 51 51 LYS CA C 51 59.003 54.000 5.003 1
1 584 . 13 1 1 A 51 51 LYS CB C 51 32.890 36.984 -4.094 1
1 588 . 13 1 1 A 51 51 LYS N N 51 118.306 117.401 0.905 1
1 589 . 13 1 1 A 52 52 LEU H H 52 7.547 8.066 -0.519 1
1 590 . 13 1 1 A 52 52 LEU HA H 52 3.523 4.418 -0.895 1
1 600 . 13 1 1 A 52 52 LEU C C 52 177.676 175.649 2.027 1
1 601 . 13 1 1 A 52 52 LEU CA C 52 58.038 60.232 -2.194 1
1 602 . 13 1 1 A 52 52 LEU CB C 52 41.660 39.470 2.190 1
1 606 . 13 1 1 A 52 52 LEU N N 52 119.198 119.533 -0.335 1
1 607 . 13 1 1 A 53 53 VAL H H 53 7.368 8.563 -1.195 1
1 608 . 13 1 1 A 53 53 VAL HA H 53 2.469 4.350 -1.881 1
1 616 . 13 1 1 A 53 53 VAL C C 53 179.189 175.769 3.420 1
1 617 . 13 1 1 A 53 53 VAL CA C 53 66.706 51.861 14.845 1
1 618 . 13 1 1 A 53 53 VAL CB C 53 31.343 17.372 13.971 1
1 621 . 13 1 1 A 53 53 VAL N N 53 117.879 130.047 -12.168 1
1 622 . 13 1 1 A 54 54 GLU H H 54 7.966 8.236 -0.270 1
1 623 . 13 1 1 A 54 54 GLU HA H 54 3.865 4.889 -1.024 1
1 628 . 13 1 1 A 54 54 GLU C C 54 178.593 173.739 4.854 1
1 629 . 13 1 1 A 54 54 GLU CA C 54 58.935 53.997 4.938 1
1 630 . 13 1 1 A 54 54 GLU CB C 54 29.772 32.161 -2.389 1
1 632 . 13 1 1 A 54 54 GLU N N 54 119.295 118.233 1.062 1
1 633 . 13 1 1 A 55 55 GLN H H 55 7.651 8.601 -0.950 1
1 634 . 13 1 1 A 55 55 GLN HA H 55 4.005 4.880 -0.875 1
1 641 . 13 1 1 A 55 55 GLN C C 55 177.512 175.078 2.434 1
1 642 . 13 1 1 A 55 55 GLN CA C 55 57.362 54.422 2.940 1
1 643 . 13 1 1 A 55 55 GLN CB C 55 28.938 41.401 -12.463 1
1 645 . 13 1 1 A 55 55 GLN N N 55 116.036 120.934 -4.898 1
1 647 . 13 1 1 A 56 56 MET H H 56 7.691 8.886 -1.195 1
1 648 . 13 1 1 A 56 56 MET HA H 56 4.316 4.880 -0.564 1
1 656 . 13 1 1 A 56 56 MET C C 56 176.572 176.783 -0.211 1
1 657 . 13 1 1 A 56 56 MET CA C 56 56.492 55.905 0.587 1
1 658 . 13 1 1 A 56 56 MET CB C 56 32.901 26.945 5.956 1
1 661 . 13 1 1 A 56 56 MET N N 56 117.664 127.178 -9.514 1
1 662 . 13 1 1 A 57 57 ASN H H 57 7.816 8.527 -0.711 1
1 663 . 13 1 1 A 57 57 ASN HA H 57 4.495 4.277 0.218 1
1 668 . 13 1 1 A 57 57 ASN C C 57 174.613 174.481 0.132 1
1 669 . 13 1 1 A 57 57 ASN CA C 57 53.813 61.848 -8.035 1
1 670 . 13 1 1 A 57 57 ASN CB C 57 37.713 63.327 -25.614 1
1 671 . 13 1 1 A 57 57 ASN N N 57 115.864 121.337 -5.473 1
1 673 . 13 1 1 A 58 58 ILE H H 58 8.391 7.873 0.518 1
1 674 . 13 1 1 A 58 58 ILE HA H 58 4.284 5.052 -0.768 1
1 684 . 13 1 1 A 58 58 ILE C C 58 175.277 174.017 1.260 1
1 685 . 13 1 1 A 58 58 ILE CA C 58 60.631 52.642 7.989 1
1 686 . 13 1 1 A 58 58 ILE CB C 58 41.470 43.994 -2.524 1
1 690 . 13 1 1 A 58 58 ILE N N 58 117.760 115.012 2.748 1
1 691 . 13 1 1 A 59 59 ALA H H 59 8.438 8.513 -0.075 1
1 692 . 13 1 1 A 59 59 ALA HA H 59 4.535 5.118 -0.583 1
1 696 . 13 1 1 A 59 59 ALA C C 59 175.554 173.398 2.156 1
1 697 . 13 1 1 A 59 59 ALA CA C 59 51.604 56.390 -4.786 1
1 698 . 13 1 1 A 59 59 ALA CB C 59 17.256 41.171 -23.915 1
1 699 . 13 1 1 A 59 59 ALA N N 59 129.371 117.834 11.537 1
1 700 . 13 1 1 A 60 60 GLN H H 60 7.498 8.859 -1.361 1
1 701 . 13 1 1 A 60 60 GLN HA H 60 4.291 5.217 -0.926 1
1 708 . 13 1 1 A 60 60 GLN C C 60 172.908 175.457 -2.549 1
1 709 . 13 1 1 A 60 60 GLN CA C 60 53.492 51.441 2.051 1
1 710 . 13 1 1 A 60 60 GLN CB C 60 30.340 23.707 6.633 1
1 712 . 13 1 1 A 60 60 GLN N N 60 120.550 121.814 -1.264 1
1 714 . 13 1 1 A 61 61 ASP H H 61 8.086 8.794 -0.708 1
1 715 . 13 1 1 A 61 61 ASP HA H 61 4.622 5.264 -0.642 1
1 718 . 13 1 1 A 61 61 ASP C C 61 177.529 175.347 2.182 1
1 719 . 13 1 1 A 61 61 ASP CA C 61 53.520 54.217 -0.697 1
1 720 . 13 1 1 A 61 61 ASP CB C 61 40.493 44.542 -4.049 1
1 721 . 13 1 1 A 61 61 ASP N N 61 118.225 122.064 -3.839 1
1 722 . 13 1 1 A 62 62 TRP H H 62 8.999 9.529 -0.530 1
1 723 . 13 1 1 A 62 62 TRP HA H 62 4.578 5.315 -0.737 1
1 732 . 13 1 1 A 62 62 TRP C C 62 178.609 174.707 3.902 1
1 733 . 13 1 1 A 62 62 TRP CA C 62 57.200 54.124 3.076 1
1 734 . 13 1 1 A 62 62 TRP CB C 62 29.155 31.594 -2.439 1
1 740 . 13 1 1 A 62 62 TRP N N 62 129.134 128.613 0.521 1
1 742 . 13 1 1 A 63 63 SER H H 63 8.756 8.808 -0.052 1
1 743 . 13 1 1 A 63 63 SER HA H 63 4.127 4.707 -0.580 1
1 746 . 13 1 1 A 63 63 SER C C 63 175.119 175.505 -0.386 1
1 747 . 13 1 1 A 63 63 SER CA C 63 62.933 55.866 7.067 1
1 748 . 13 1 1 A 63 63 SER CB C 63 63.120 29.400 33.720 1
1 749 . 13 1 1 A 63 63 SER N N 63 119.231 129.924 -10.693 1
1 750 . 13 1 1 A 64 64 ASP H H 64 9.095 8.907 0.188 1
1 751 . 13 1 1 A 64 64 ASP HA H 64 4.876 3.729 1.147 1
1 754 . 13 1 1 A 64 64 ASP C C 64 177.267 178.555 -1.288 1
1 755 . 13 1 1 A 64 64 ASP CA C 64 54.157 59.250 -5.093 1
1 756 . 13 1 1 A 64 64 ASP CB C 64 43.116 29.452 13.664 1
1 757 . 13 1 1 A 64 64 ASP N N 64 120.137 126.643 -6.506 1
1 758 . 13 1 1 A 65 65 TYR H H 65 7.991 8.332 -0.341 1
1 759 . 13 1 1 A 65 65 TYR HA H 65 4.151 4.063 0.088 1
1 766 . 13 1 1 A 65 65 TYR C C 65 175.746 177.169 -1.423 1
1 767 . 13 1 1 A 65 65 TYR CA C 65 59.053 58.795 0.258 1
1 768 . 13 1 1 A 65 65 TYR CB C 65 38.836 28.636 10.200 1
1 773 . 13 1 1 A 65 65 TYR N N 65 121.458 119.020 2.438 1
1 774 . 13 1 1 A 66 66 ALA H H 66 8.698 7.124 1.574 1
1 775 . 13 1 1 A 66 66 ALA HA H 66 4.794 4.043 0.751 1
1 779 . 13 1 1 A 66 66 ALA C C 66 175.126 175.348 -0.222 1
1 780 . 13 1 1 A 66 66 ALA CA C 66 51.166 55.382 -4.216 1
1 781 . 13 1 1 A 66 66 ALA CB C 66 23.771 32.926 -9.155 1
1 782 . 13 1 1 A 66 66 ALA N N 66 122.944 116.671 6.273 1
1 783 . 13 1 1 A 67 67 LEU H H 67 9.131 7.314 1.817 1
1 784 . 13 1 1 A 67 67 LEU HA H 67 5.498 3.076 2.422 1
1 794 . 13 1 1 A 67 67 LEU C C 67 174.489 174.432 0.057 1
1 795 . 13 1 1 A 67 67 LEU CA C 67 53.987 56.399 -2.412 1
1 796 . 13 1 1 A 67 67 LEU CB C 67 44.080 28.120 15.960 1
1 800 . 13 1 1 A 67 67 LEU N N 67 118.646 116.326 2.320 1
1 801 . 13 1 1 A 68 68 TRP H H 68 9.934 6.141 3.793 1
1 802 . 13 1 1 A 68 68 TRP HA H 68 4.680 4.896 -0.216 1
1 811 . 13 1 1 A 68 68 TRP C C 68 174.148 172.556 1.592 1
1 812 . 13 1 1 A 68 68 TRP CA C 68 55.276 57.071 -1.795 1
1 813 . 13 1 1 A 68 68 TRP CB C 68 30.222 30.713 -0.491 1
1 819 . 13 1 1 A 68 68 TRP N N 68 126.978 113.306 13.672 1
1 821 . 13 1 1 A 69 69 TRP H H 69 8.507 8.842 -0.335 1
1 822 . 13 1 1 A 69 69 TRP HA H 69 5.060 5.637 -0.577 1
1 831 . 13 1 1 A 69 69 TRP C C 69 175.837 175.957 -0.120 1
1 832 . 13 1 1 A 69 69 TRP CA C 69 52.520 56.487 -3.967 1
1 833 . 13 1 1 A 69 69 TRP CB C 69 30.500 31.008 -0.508 1
1 839 . 13 1 1 A 69 69 TRP N N 69 129.756 123.137 6.619 1
1 841 . 13 1 1 A 70 70 GLU H H 70 8.917 9.617 -0.700 1
1 842 . 13 1 1 A 70 70 GLU HA H 70 3.817 4.742 -0.925 1
1 847 . 13 1 1 A 70 70 GLU C C 70 179.449 176.617 2.832 1
1 848 . 13 1 1 A 70 70 GLU CA C 70 60.208 54.346 5.862 1
1 849 . 13 1 1 A 70 70 GLU CB C 70 29.937 41.658 -11.721 1
1 851 . 13 1 1 A 70 70 GLU N N 70 126.517 125.190 1.327 1
1 852 . 13 1 1 A 71 71 GLN H H 71 8.515 8.465 0.050 1
1 853 . 13 1 1 A 71 71 GLN HA H 71 3.782 4.666 -0.884 1
1 860 . 13 1 1 A 71 71 GLN C C 71 177.266 177.239 0.027 1
1 861 . 13 1 1 A 71 71 GLN CA C 71 61.006 54.172 6.834 1
1 862 . 13 1 1 A 71 71 GLN CB C 71 27.451 42.511 -15.060 1
1 864 . 13 1 1 A 71 71 GLN N N 71 114.822 125.922 -11.100 1
1 866 . 13 1 1 A 72 72 LYS H H 72 5.086 8.287 -3.201 1
1 867 . 13 1 1 A 72 72 LYS HA H 72 3.719 4.165 -0.446 1
1 876 . 13 1 1 A 72 72 LYS C C 72 174.268 177.149 -2.881 1
1 877 . 13 1 1 A 72 72 LYS CA C 72 53.864 56.288 -2.424 1
1 878 . 13 1 1 A 72 72 LYS CB C 72 33.242 30.809 2.433 1
1 882 . 13 1 1 A 72 72 LYS N N 72 112.499 117.753 -5.254 1
1 883 . 13 1 1 A 73 73 ARG H H 73 7.402 7.989 -0.587 1
1 884 . 13 1 1 A 73 73 ARG HA H 73 2.800 4.162 -1.362 1
1 892 . 13 1 1 A 73 73 ARG C C 73 173.935 176.362 -2.427 1
1 893 . 13 1 1 A 73 73 ARG CA C 73 56.187 64.820 -8.633 1
1 894 . 13 1 1 A 73 73 ARG CB C 73 26.602 68.871 -42.269 1
1 897 . 13 1 1 A 73 73 ARG N N 73 118.477 114.942 3.535 1
1 899 . 13 1 1 A 74 74 CYS H H 74 6.242 7.940 -1.698 1
1 900 . 13 1 1 A 74 74 CYS HA H 74 4.671 4.501 0.170 1
1 903 . 13 1 1 A 74 74 CYS C C 74 171.332 175.678 -4.346 1
1 904 . 13 1 1 A 74 74 CYS CA C 74 54.443 57.636 -3.193 1
1 905 . 13 1 1 A 74 74 CYS CB C 74 31.599 30.543 1.056 1
1 906 . 13 1 1 A 74 74 CYS N N 74 110.705 121.315 -10.610 1
1 907 . 13 1 1 A 75 75 TRP H H 75 8.567 7.899 0.668 1
1 908 . 13 1 1 A 75 75 TRP HA H 75 5.414 4.688 0.726 1
1 917 . 13 1 1 A 75 75 TRP C C 75 177.638 176.460 1.178 1
1 918 . 13 1 1 A 75 75 TRP CA C 75 55.720 56.894 -1.174 1
1 919 . 13 1 1 A 75 75 TRP CB C 75 30.966 30.768 0.198 1
1 925 . 13 1 1 A 75 75 TRP N N 75 120.876 119.326 1.550 1
1 927 . 13 1 1 A 76 76 LEU H H 76 9.181 8.702 0.479 1
1 928 . 13 1 1 A 76 76 LEU HA H 76 4.737 4.995 -0.258 1
1 938 . 13 1 1 A 76 76 LEU C C 76 175.745 176.343 -0.598 1
1 939 . 13 1 1 A 76 76 LEU CA C 76 53.729 60.352 -6.623 1
1 940 . 13 1 1 A 76 76 LEU CB C 76 40.810 71.476 -30.666 1
1 944 . 13 1 1 A 76 76 LEU N N 76 125.488 115.228 10.260 1
1 945 . 13 1 1 A 77 77 LEU H H 77 7.711 9.108 -1.397 1
1 946 . 13 1 1 A 77 77 LEU HA H 77 4.416 4.017 0.399 1
1 956 . 13 1 1 A 77 77 LEU C C 77 178.257 178.792 -0.535 1
1 957 . 13 1 1 A 77 77 LEU CA C 77 54.539 58.180 -3.641 1
1 958 . 13 1 1 A 77 77 LEU CB C 77 42.566 41.528 1.038 1
1 962 . 13 1 1 A 77 77 LEU N N 77 119.493 122.576 -3.083 1
1 963 . 13 1 1 A 78 78 LYS H H 78 8.173 8.832 -0.659 1
1 964 . 13 1 1 A 78 78 LYS HA H 78 4.380 4.343 0.037 1
1 973 . 13 1 1 A 78 78 LYS C C 78 177.029 178.699 -1.670 1
1 974 . 13 1 1 A 78 78 LYS CA C 78 54.048 58.002 -3.954 1
1 975 . 13 1 1 A 78 78 LYS CB C 78 28.755 40.868 -12.113 1
1 979 . 13 1 1 A 78 78 LYS N N 78 121.730 119.895 1.835 1
1 980 . 13 1 1 A 79 79 THR H H 79 7.812 7.776 0.036 1
1 981 . 13 1 1 A 79 79 THR HA H 79 3.677 4.062 -0.385 1
1 986 . 13 1 1 A 79 79 THR C C 79 175.193 178.826 -3.633 1
1 987 . 13 1 1 A 79 79 THR CA C 79 64.890 58.776 6.114 1
1 988 . 13 1 1 A 79 79 THR CB C 79 68.447 31.974 36.473 1
1 990 . 13 1 1 A 79 79 THR N N 79 114.142 119.019 -4.877 1
1 991 . 13 1 1 A 80 80 HIS H H 80 8.929 8.071 0.858 1
1 992 . 13 1 1 A 80 80 HIS HA H 80 4.759 4.780 -0.021 1
1 995 . 13 1 1 A 80 80 HIS C C 80 175.622 175.505 0.117 1
1 996 . 13 1 1 A 80 80 HIS CA C 80 56.078 59.759 -3.681 1
1 997 . 13 1 1 A 80 80 HIS CB C 80 29.927 28.089 1.838 1
1 998 . 13 1 1 A 80 80 HIS N N 80 117.372 115.574 1.798 1
1 999 . 13 1 1 A 81 81 TRP H H 81 8.544 8.432 0.112 1
1 1009 . 13 1 1 A 81 81 TRP C C 81 175.952 174.243 1.709 1
1 1010 . 13 1 1 A 81 81 TRP CA C 81 56.009 45.745 10.264 1
1 1017 . 13 1 1 A 81 81 TRP N N 81 122.512 109.270 13.242 1
1 1019 . 13 1 1 A 82 82 THR H H 82 7.587 7.235 0.352 1
1 1020 . 13 1 1 A 82 82 THR HA H 82 4.725 4.149 0.576 1
1 1025 . 13 1 1 A 82 82 THR C C 82 176.305 174.746 1.559 1
1 1026 . 13 1 1 A 82 82 THR CA C 82 60.250 60.989 -0.739 1
1 1027 . 13 1 1 A 82 82 THR CB C 82 70.601 31.936 38.665 1
1 1029 . 13 1 1 A 82 82 THR N N 82 109.728 121.984 -12.256 1
1 1030 . 13 1 1 A 83 83 LEU H H 83 8.354 8.337 0.017 1
1 1031 . 13 1 1 A 83 83 LEU HA H 83 3.798 4.103 -0.305 1
1 1040 . 13 1 1 A 83 83 LEU C C 83 179.461 175.815 3.646 1
1 1041 . 13 1 1 A 83 83 LEU CA C 83 59.442 53.629 5.813 1
1 1042 . 13 1 1 A 83 83 LEU CB C 83 40.758 31.229 9.529 1
1 1045 . 13 1 1 A 83 83 LEU N N 83 122.120 126.553 -4.433 1
1 1046 . 13 1 1 A 84 84 ASP H H 84 8.985 7.880 1.105 1
1 1047 . 13 1 1 A 84 84 ASP HA H 84 4.427 3.991 0.436 1
1 1050 . 13 1 1 A 84 84 ASP C C 84 179.464 177.859 1.605 1
1 1051 . 13 1 1 A 84 84 ASP CA C 84 57.459 54.612 2.847 1
1 1052 . 13 1 1 A 84 84 ASP CB C 84 40.243 18.244 21.999 1
1 1053 . 13 1 1 A 84 84 ASP N N 84 118.020 121.939 -3.919 1
1 1054 . 13 1 1 A 85 85 LYS H H 85 8.134 7.754 0.380 1
1 1055 . 13 1 1 A 85 85 LYS HA H 85 3.820 4.691 -0.871 1
1 1064 . 13 1 1 A 85 85 LYS C C 85 178.824 175.993 2.831 1
1 1065 . 13 1 1 A 85 85 LYS CA C 85 59.103 54.448 4.655 1
1 1066 . 13 1 1 A 85 85 LYS CB C 85 32.229 41.377 -9.148 1
1 1070 . 13 1 1 A 85 85 LYS N N 85 123.380 115.882 7.498 1
1 1071 . 13 1 1 A 86 86 CYS H H 86 8.083 7.430 0.653 1
1 1072 . 13 1 1 A 86 86 CYS HA H 86 4.439 4.527 -0.088 1
1 1075 . 13 1 1 A 86 86 CYS C C 86 174.621 176.553 -1.932 1
1 1076 . 13 1 1 A 86 86 CYS CA C 86 61.800 51.595 10.205 1
1 1077 . 13 1 1 A 86 86 CYS CB C 86 28.700 19.151 9.549 1
1 1078 . 13 1 1 A 86 86 CYS N N 86 113.734 123.213 -9.479 1
1 1079 . 13 1 1 A 87 87 GLY H H 87 7.904 8.941 -1.037 1
1 1082 . 13 1 1 A 87 87 GLY C C 87 174.471 174.535 -0.064 1
1 1083 . 13 1 1 A 87 87 GLY CA C 87 45.434 53.599 -8.165 1
1 1084 . 13 1 1 A 87 87 GLY N N 87 107.243 124.172 -16.929 1
1 1085 . 13 1 1 A 88 88 VAL H H 88 7.635 9.012 -1.377 1
1 1086 . 13 1 1 A 88 88 VAL HA H 88 3.165 5.234 -2.069 1
1 1094 . 13 1 1 A 88 88 VAL C C 88 173.926 174.391 -0.465 1
1 1095 . 13 1 1 A 88 88 VAL CA C 88 63.281 53.434 9.847 1
1 1096 . 13 1 1 A 88 88 VAL CB C 88 31.892 45.509 -13.617 1
1 1099 . 13 1 1 A 88 88 VAL N N 88 122.351 128.636 -6.285 1
1 1100 . 13 1 1 A 89 89 GLN H H 89 7.651 9.497 -1.846 1
1 1101 . 13 1 1 A 89 89 GLN HA H 89 3.946 5.578 -1.632 1
1 1108 . 13 1 1 A 89 89 GLN C C 89 175.629 174.612 1.017 1
1 1109 . 13 1 1 A 89 89 GLN CA C 89 53.861 52.788 1.073 1
1 1110 . 13 1 1 A 89 89 GLN CB C 89 31.010 45.761 -14.751 1
1 1112 . 13 1 1 A 89 89 GLN N N 89 125.820 128.945 -3.125 1
1 1114 . 13 1 1 A 90 90 ALA H H 90 7.025 9.530 -2.505 1
1 1115 . 13 1 1 A 90 90 ALA HA H 90 3.873 5.553 -1.680 1
1 1119 . 13 1 1 A 90 90 ALA C C 90 177.042 173.893 3.149 1
1 1120 . 13 1 1 A 90 90 ALA CA C 90 54.869 55.194 -0.325 1
1 1121 . 13 1 1 A 90 90 ALA CB C 90 18.818 41.632 -22.814 1
1 1122 . 13 1 1 A 90 90 ALA N N 90 118.713 127.760 -9.047 1
1 1123 . 13 1 1 A 91 91 ASP H H 91 8.310 8.927 -0.617 1
1 1124 . 13 1 1 A 91 91 ASP HA H 91 4.415 4.791 -0.376 1
1 1127 . 13 1 1 A 91 91 ASP C C 91 176.371 171.546 4.825 1
1 1128 . 13 1 1 A 91 91 ASP CA C 91 53.133 58.236 -5.103 1
1 1129 . 13 1 1 A 91 91 ASP CB C 91 39.673 72.724 -33.051 1
1 1130 . 13 1 1 A 91 91 ASP N N 91 113.050 121.533 -8.483 1
1 1132 . 13 1 1 A 92 92 ALA HA H 92 4.237 4.652 -0.415 1
1 1136 . 13 1 1 A 92 92 ALA C C 92 176.536 177.156 -0.620 1
1 1137 . 13 1 1 A 92 92 ALA CA C 92 53.721 63.079 -9.358 1
1 1138 . 13 1 1 A 92 92 ALA CB C 92 19.774 32.290 -12.516 1
1 1139 . 13 1 1 A 92 92 ALA N N 92 124.114 139.939 -15.825 1
1 1140 . 13 1 1 A 93 93 ASN H H 93 9.478 8.014 1.464 1
1 1141 . 13 1 1 A 93 93 ASN HA H 93 5.141 3.656 1.485 1
1 1146 . 13 1 1 A 93 93 ASN C C 93 173.906 175.242 -1.336 1
1 1147 . 13 1 1 A 93 93 ASN CA C 93 52.433 57.979 -5.546 1
1 1148 . 13 1 1 A 93 93 ASN CB C 93 38.547 28.211 10.336 1
1 1149 . 13 1 1 A 93 93 ASN N N 93 123.235 120.278 2.957 1
1 1151 . 13 1 1 A 94 94 LEU H H 94 8.675 7.953 0.722 1
1 1152 . 13 1 1 A 94 94 LEU HA H 94 5.429 4.360 1.069 1
1 1162 . 13 1 1 A 94 94 LEU C C 94 175.486 175.198 0.288 1
1 1163 . 13 1 1 A 94 94 LEU CA C 94 53.003 58.099 -5.096 1
1 1164 . 13 1 1 A 94 94 LEU CB C 94 44.739 28.342 16.397 1
1 1168 . 13 1 1 A 94 94 LEU N N 94 122.901 115.093 7.808 1
1 1169 . 13 1 1 A 95 95 LEU H H 95 9.412 8.982 0.430 1
1 1170 . 13 1 1 A 95 95 LEU HA H 95 5.388 3.853 1.535 1
1 1180 . 13 1 1 A 95 95 LEU C C 95 174.403 175.489 -1.086 1
1 1181 . 13 1 1 A 95 95 LEU CA C 95 53.155 57.212 -4.057 1
1 1182 . 13 1 1 A 95 95 LEU CB C 95 46.432 31.366 15.066 1
1 1186 . 13 1 1 A 95 95 LEU N N 95 126.034 122.396 3.638 1
1 3 . 14 1 1 A 1 1 GLY C C 1 173.950 176.408 -2.458 1
1 4 . 14 1 1 A 1 1 GLY CA C 1 45.289 54.663 -9.374 1
1 5 . 14 1 1 A 2 2 ILE H H 2 8.026 8.317 -0.291 1
1 6 . 14 1 1 A 2 2 ILE HA H 2 4.518 4.658 -0.140 1
1 16 . 14 1 1 A 2 2 ILE CA C 2 54.315 53.941 0.374 1
1 17 . 14 1 1 A 2 2 ILE CB C 2 41.381 42.173 -0.792 1
1 21 . 14 1 1 A 2 2 ILE N N 2 120.237 121.616 -1.379 1
1 22 . 14 1 1 A 3 3 ASP H H 3 8.212 8.749 -0.537 1
1 25 . 14 1 1 A 3 3 ASP CB C 3 41.116 62.850 -21.734 1
1 26 . 14 1 1 A 3 3 ASP N N 3 126.816 118.518 8.298 1
1 27 . 14 1 1 A 4 4 PRO HA H 4 3.818 5.231 -1.413 1
1 28 . 14 1 1 A 4 4 PRO C C 4 176.930 173.106 3.824 1
1 29 . 14 1 1 A 4 4 PRO CA C 4 63.589 57.411 6.178 1
1 30 . 14 1 1 A 5 5 PHE H H 5 8.214 8.916 -0.702 1
1 33 . 14 1 1 A 5 5 PHE C C 5 176.204 173.606 2.598 1
1 34 . 14 1 1 A 5 5 PHE CA C 5 58.089 47.076 11.013 1
1 36 . 14 1 1 A 5 5 PHE N N 5 118.317 112.144 6.173 1
1 37 . 14 1 1 A 6 6 THR H H 6 7.789 8.035 -0.246 1
1 38 . 14 1 1 A 6 6 THR HA H 6 4.268 4.553 -0.285 1
1 43 . 14 1 1 A 6 6 THR C C 6 174.096 178.266 -4.170 1
1 44 . 14 1 1 A 6 6 THR CA C 6 62.228 56.083 6.145 1
1 45 . 14 1 1 A 6 6 THR CB C 6 69.842 41.584 28.258 1
1 47 . 14 1 1 A 6 6 THR N N 6 114.242 124.940 -10.698 1
1 48 . 14 1 1 A 7 7 MET H H 7 8.077 7.749 0.328 1
1 49 . 14 1 1 A 7 7 MET HA H 7 4.721 4.287 0.434 1
1 50 . 14 1 1 A 7 7 MET CA C 7 55.836 56.340 -0.504 1
1 51 . 14 1 1 A 7 7 MET N N 7 121.684 116.677 5.007 1
1 52 . 14 1 1 A 8 8 LEU H H 8 8.043 7.948 0.095 1
1 53 . 14 1 1 A 8 8 LEU HA H 8 4.322 4.506 -0.184 1
1 60 . 14 1 1 A 8 8 LEU CA C 8 55.142 61.237 -6.095 1
1 63 . 14 1 1 A 8 8 LEU N N 8 122.622 113.989 8.633 1
1 64 . 14 1 1 A 9 9 SER H H 9 8.263 8.759 -0.496 1
1 65 . 14 1 1 A 9 9 SER HA H 9 4.318 4.591 -0.273 1
1 68 . 14 1 1 A 9 9 SER CA C 9 58.256 58.721 -0.465 1
1 69 . 14 1 1 A 9 9 SER CB C 9 63.851 64.060 -0.209 1
1 70 . 14 1 1 A 9 9 SER N N 9 116.455 118.686 -2.231 1
1 71 . 14 1 1 A 10 10 SER H H 10 8.268 7.744 0.524 1
1 72 . 14 1 1 A 10 10 SER HA H 10 4.418 4.548 -0.130 1
1 75 . 14 1 1 A 10 10 SER C C 10 175.142 175.964 -0.822 1
1 76 . 14 1 1 A 10 10 SER CA C 10 58.684 51.230 7.454 1
1 77 . 14 1 1 A 10 10 SER CB C 10 63.935 19.435 44.500 1
1 78 . 14 1 1 A 10 10 SER N N 10 117.758 122.253 -4.495 1
1 79 . 14 1 1 A 11 11 GLY H H 11 8.300 8.222 0.078 1
1 82 . 14 1 1 A 11 11 GLY C C 11 176.844 172.776 4.068 1
1 83 . 14 1 1 A 11 11 GLY CA C 11 45.340 57.216 -11.876 1
1 84 . 14 1 1 A 11 11 GLY N N 11 110.621 114.302 -3.681 1
1 85 . 14 1 1 A 12 12 ASP H H 12 8.095 8.702 -0.607 1
1 86 . 14 1 1 A 12 12 ASP HA H 12 4.520 5.440 -0.920 1
1 89 . 14 1 1 A 12 12 ASP C C 12 176.422 173.629 2.793 1
1 90 . 14 1 1 A 12 12 ASP CA C 12 54.331 55.300 -0.969 1
1 91 . 14 1 1 A 12 12 ASP CB C 12 41.101 31.931 9.170 1
1 92 . 14 1 1 A 12 12 ASP N N 12 120.276 121.110 -0.834 1
1 93 . 14 1 1 A 13 13 LEU H H 13 8.259 8.891 -0.632 1
1 94 . 14 1 1 A 13 13 LEU HA H 13 4.326 5.127 -0.801 1
1 104 . 14 1 1 A 13 13 LEU C C 13 177.829 175.294 2.535 1
1 105 . 14 1 1 A 13 13 LEU CA C 13 55.426 55.613 -0.187 1
1 106 . 14 1 1 A 13 13 LEU CB C 13 42.043 30.557 11.486 1
1 110 . 14 1 1 A 13 13 LEU N N 13 122.645 119.422 3.223 1
1 111 . 14 1 1 A 14 14 THR H H 14 8.134 9.489 -1.355 1
1 112 . 14 1 1 A 14 14 THR HA H 14 4.265 5.206 -0.941 1
1 117 . 14 1 1 A 14 14 THR C C 14 174.821 174.934 -0.113 1
1 118 . 14 1 1 A 14 14 THR CA C 14 62.228 53.731 8.497 1
1 119 . 14 1 1 A 14 14 THR CB C 14 69.762 45.382 24.380 1
1 121 . 14 1 1 A 14 14 THR N N 14 114.338 126.461 -12.123 1
1 122 . 14 1 1 A 15 15 SER H H 15 8.181 8.824 -0.643 1
1 123 . 14 1 1 A 15 15 SER HA H 15 4.429 4.794 -0.365 1
1 126 . 14 1 1 A 15 15 SER C C 15 174.213 173.940 0.273 1
1 127 . 14 1 1 A 15 15 SER CA C 15 58.321 61.697 -3.376 1
1 128 . 14 1 1 A 15 15 SER CB C 15 63.826 32.626 31.200 1
1 129 . 14 1 1 A 15 15 SER N N 15 117.846 127.096 -9.250 1
1 130 . 14 1 1 A 16 16 ALA H H 16 8.284 9.731 -1.447 1
1 131 . 14 1 1 A 16 16 ALA HA H 16 4.395 4.750 -0.355 1
1 135 . 14 1 1 A 16 16 ALA C C 16 177.160 175.195 1.965 1
1 136 . 14 1 1 A 16 16 ALA CA C 16 52.623 61.072 -8.449 1
1 137 . 14 1 1 A 16 16 ALA CB C 16 19.390 32.877 -13.487 1
1 138 . 14 1 1 A 16 16 ALA N N 16 126.207 130.970 -4.763 1
1 139 . 14 1 1 A 17 17 SER H H 17 8.035 9.114 -1.079 1
1 140 . 14 1 1 A 17 17 SER HA H 17 4.891 4.927 -0.036 1
1 143 . 14 1 1 A 17 17 SER C C 17 173.472 175.216 -1.744 1
1 144 . 14 1 1 A 17 17 SER CA C 17 57.547 56.090 1.457 1
1 145 . 14 1 1 A 17 17 SER CB C 17 65.420 30.894 34.526 1
1 146 . 14 1 1 A 17 17 SER N N 17 114.521 127.952 -13.431 1
1 147 . 14 1 1 A 18 18 TRP H H 18 8.523 9.465 -0.942 1
1 148 . 14 1 1 A 18 18 TRP HA H 18 4.787 4.671 0.116 1
1 157 . 14 1 1 A 18 18 TRP C C 18 173.910 174.523 -0.613 1
1 158 . 14 1 1 A 18 18 TRP CA C 18 55.331 62.251 -6.920 1
1 159 . 14 1 1 A 18 18 TRP CB C 18 30.044 32.334 -2.290 1
1 165 . 14 1 1 A 18 18 TRP N N 18 120.348 126.505 -6.157 1
1 167 . 14 1 1 A 19 19 GLU H H 19 8.542 9.536 -0.994 1
1 168 . 14 1 1 A 19 19 GLU HA H 19 4.957 5.030 -0.073 1
1 173 . 14 1 1 A 19 19 GLU C C 19 175.089 174.989 0.100 1
1 174 . 14 1 1 A 19 19 GLU CA C 19 55.735 52.748 2.987 1
1 175 . 14 1 1 A 19 19 GLU CB C 19 31.683 41.808 -10.125 1
1 177 . 14 1 1 A 19 19 GLU N N 19 117.964 128.646 -10.682 1
1 178 . 14 1 1 A 20 20 LEU H H 20 8.813 9.312 -0.499 1
1 179 . 14 1 1 A 20 20 LEU HA H 20 4.794 4.991 -0.197 1
1 189 . 14 1 1 A 20 20 LEU C C 20 174.656 175.423 -0.767 1
1 190 . 14 1 1 A 20 20 LEU CA C 20 53.195 55.026 -1.831 1
1 191 . 14 1 1 A 20 20 LEU CB C 20 46.182 28.752 17.430 1
1 195 . 14 1 1 A 20 20 LEU N N 20 125.925 125.303 0.622 1
1 196 . 14 1 1 A 21 21 VAL H H 21 8.827 8.767 0.060 1
1 197 . 14 1 1 A 21 21 VAL HA H 21 4.499 4.286 0.213 1
1 205 . 14 1 1 A 21 21 VAL C C 21 176.157 177.779 -1.622 1
1 206 . 14 1 1 A 21 21 VAL CA C 21 62.260 52.974 9.286 1
1 207 . 14 1 1 A 21 21 VAL CB C 21 31.627 18.826 12.801 1
1 210 . 14 1 1 A 21 21 VAL N N 21 127.297 126.864 0.433 1
1 211 . 14 1 1 A 22 22 VAL H H 22 9.178 7.872 1.306 1
1 212 . 14 1 1 A 22 22 VAL HA H 22 4.348 4.806 -0.458 1
1 220 . 14 1 1 A 22 22 VAL C C 22 175.253 175.678 -0.425 1
1 221 . 14 1 1 A 22 22 VAL CA C 22 60.925 53.005 7.920 1
1 222 . 14 1 1 A 22 22 VAL CB C 22 34.352 38.911 -4.559 1
1 225 . 14 1 1 A 22 22 VAL N N 22 129.937 115.524 14.413 1
1 226 . 14 1 1 A 23 23 ARG H H 23 8.104 8.806 -0.702 1
1 235 . 14 1 1 A 23 23 ARG C C 23 174.950 173.682 1.268 1
1 236 . 14 1 1 A 23 23 ARG CA C 23 55.516 46.073 9.443 1
1 240 . 14 1 1 A 23 23 ARG N N 23 125.848 108.182 17.666 1
1 242 . 14 1 1 A 24 24 VAL H H 24 9.325 7.623 1.702 1
1 243 . 14 1 1 A 24 24 VAL HA H 24 5.011 4.924 0.087 1
1 251 . 14 1 1 A 24 24 VAL C C 24 175.449 174.744 0.705 1
1 252 . 14 1 1 A 24 24 VAL CA C 24 61.634 54.499 7.135 1
1 253 . 14 1 1 A 24 24 VAL CB C 24 33.928 33.779 0.149 1
1 256 . 14 1 1 A 24 24 VAL N N 24 124.136 118.984 5.152 1
1 257 . 14 1 1 A 25 25 ASP H H 25 8.414 8.425 -0.011 1
1 258 . 14 1 1 A 25 25 ASP HA H 25 5.220 4.904 0.316 1
1 261 . 14 1 1 A 25 25 ASP C C 25 176.671 175.968 0.703 1
1 262 . 14 1 1 A 25 25 ASP CA C 25 52.956 54.322 -1.366 1
1 263 . 14 1 1 A 25 25 ASP CB C 25 43.473 31.530 11.943 1
1 264 . 14 1 1 A 25 25 ASP N N 25 126.172 119.600 6.572 1
1 265 . 14 1 1 A 26 26 HIS H H 26 9.152 8.491 0.661 1
1 266 . 14 1 1 A 26 26 HIS HA H 26 4.542 5.169 -0.627 1
1 271 . 14 1 1 A 26 26 HIS C C 26 174.917 176.153 -1.236 1
1 272 . 14 1 1 A 26 26 HIS CA C 26 56.700 56.053 0.647 1
1 273 . 14 1 1 A 26 26 HIS CB C 26 30.185 29.531 0.654 1
1 276 . 14 1 1 A 26 26 HIS N N 26 124.402 120.542 3.860 1
1 277 . 14 1 1 A 27 27 ALA H H 27 9.121 9.014 0.107 1
1 278 . 14 1 1 A 27 27 ALA HA H 27 3.984 4.796 -0.812 1
1 282 . 14 1 1 A 27 27 ALA C C 27 176.927 173.522 3.405 1
1 283 . 14 1 1 A 27 27 ALA CA C 27 53.240 61.755 -8.515 1
1 284 . 14 1 1 A 27 27 ALA CB C 27 17.122 70.926 -53.804 1
1 285 . 14 1 1 A 27 27 ALA N N 27 121.895 117.469 4.426 1
1 286 . 14 1 1 A 28 28 ASN H H 28 8.140 9.014 -0.874 1
1 287 . 14 1 1 A 28 28 ASN HA H 28 4.628 4.760 -0.132 1
1 292 . 14 1 1 A 28 28 ASN C C 28 176.389 175.333 1.056 1
1 293 . 14 1 1 A 28 28 ASN CA C 28 52.466 55.710 -3.244 1
1 294 . 14 1 1 A 28 28 ASN CB C 28 38.624 30.179 8.445 1
1 295 . 14 1 1 A 28 28 ASN N N 28 114.287 126.144 -11.857 1
1 297 . 14 1 1 A 29 29 GLY H H 29 8.254 9.185 -0.931 1
1 300 . 14 1 1 A 29 29 GLY C C 29 174.848 174.905 -0.057 1
1 301 . 14 1 1 A 29 29 GLY CA C 29 45.354 59.938 -14.584 1
1 302 . 14 1 1 A 29 29 GLY N N 29 108.650 126.224 -17.574 1
1 303 . 14 1 1 A 30 30 GLU H H 30 7.860 9.080 -1.220 1
1 304 . 14 1 1 A 30 30 GLU HA H 30 4.267 4.934 -0.667 1
1 309 . 14 1 1 A 30 30 GLU C C 30 176.802 173.954 2.848 1
1 310 . 14 1 1 A 30 30 GLU CA C 30 56.348 62.025 -5.677 1
1 311 . 14 1 1 A 30 30 GLU CB C 30 30.460 68.999 -38.539 1
1 313 . 14 1 1 A 30 30 GLU N N 30 119.375 123.704 -4.329 1
1 314 . 14 1 1 A 31 31 GLN H H 31 8.280 9.359 -1.079 1
1 315 . 14 1 1 A 31 31 GLN HA H 31 4.222 4.798 -0.576 1
1 322 . 14 1 1 A 31 31 GLN C C 31 175.995 175.558 0.437 1
1 323 . 14 1 1 A 31 31 GLN CA C 31 55.917 53.612 2.305 1
1 324 . 14 1 1 A 31 31 GLN CB C 31 30.002 43.561 -13.559 1
1 326 . 14 1 1 A 31 31 GLN N N 31 120.036 128.168 -8.132 1
1 328 . 14 1 1 A 32 32 GLN H H 32 7.520 8.689 -1.169 1
1 329 . 14 1 1 A 32 32 GLN HA H 32 4.905 4.671 0.234 1
1 336 . 14 1 1 A 32 32 GLN C C 32 176.112 175.881 0.231 1
1 337 . 14 1 1 A 32 32 GLN CA C 32 56.211 55.487 0.724 1
1 338 . 14 1 1 A 32 32 GLN CB C 32 30.863 31.132 -0.269 1
1 340 . 14 1 1 A 32 32 GLN N N 32 123.146 124.724 -1.578 1
1 342 . 14 1 1 A 33 33 THR H H 33 8.533 8.783 -0.250 1
1 343 . 14 1 1 A 33 33 THR HA H 33 4.621 4.828 -0.207 1
1 348 . 14 1 1 A 33 33 THR C C 33 173.112 173.853 -0.741 1
1 349 . 14 1 1 A 33 33 THR CA C 33 61.506 58.708 2.798 1
1 350 . 14 1 1 A 33 33 THR CB C 33 71.605 35.350 36.255 1
1 352 . 14 1 1 A 33 33 THR N N 33 118.233 120.900 -2.667 1
1 353 . 14 1 1 A 34 34 GLU H H 34 8.711 8.592 0.119 1
1 354 . 14 1 1 A 34 34 GLU HA H 34 4.939 4.385 0.554 1
1 359 . 14 1 1 A 34 34 GLU C C 34 175.108 175.664 -0.556 1
1 360 . 14 1 1 A 34 34 GLU CA C 34 55.553 57.627 -2.074 1
1 361 . 14 1 1 A 34 34 GLU CB C 34 31.950 64.194 -32.244 1
1 363 . 14 1 1 A 34 34 GLU N N 34 124.692 120.357 4.335 1
1 364 . 14 1 1 A 35 35 ILE H H 35 9.115 8.221 0.894 1
1 375 . 14 1 1 A 35 35 ILE C C 35 174.282 174.864 -0.582 1
1 376 . 14 1 1 A 35 35 ILE CA C 35 59.057 47.071 11.986 1
1 381 . 14 1 1 A 35 35 ILE N N 35 127.113 112.286 14.827 1
1 382 . 14 1 1 A 36 36 THR H H 36 8.545 7.809 0.736 1
1 383 . 14 1 1 A 36 36 THR HA H 36 4.772 4.656 0.116 1
1 388 . 14 1 1 A 36 36 THR C C 36 174.054 175.918 -1.864 1
1 389 . 14 1 1 A 36 36 THR CA C 36 62.257 54.425 7.832 1
1 390 . 14 1 1 A 36 36 THR CB C 36 68.948 41.200 27.748 1
1 392 . 14 1 1 A 36 36 THR N N 36 123.057 120.785 2.272 1
1 393 . 14 1 1 A 37 37 LEU H H 37 9.161 7.270 1.891 1
1 394 . 14 1 1 A 37 37 LEU HA H 37 4.503 4.558 -0.055 1
1 404 . 14 1 1 A 37 37 LEU C C 37 175.047 176.160 -1.113 1
1 405 . 14 1 1 A 37 37 LEU CA C 37 52.646 54.286 -1.640 1
1 406 . 14 1 1 A 37 37 LEU CB C 37 45.951 43.632 2.319 1
1 410 . 14 1 1 A 37 37 LEU N N 37 128.195 121.049 7.146 1
1 411 . 14 1 1 A 38 38 ARG H H 38 8.258 8.765 -0.507 1
1 412 . 14 1 1 A 38 38 ARG HA H 38 4.556 5.113 -0.557 1
1 420 . 14 1 1 A 38 38 ARG C C 38 175.726 176.468 -0.742 1
1 421 . 14 1 1 A 38 38 ARG CA C 38 55.701 55.088 0.613 1
1 422 . 14 1 1 A 38 38 ARG CB C 38 29.601 31.574 -1.973 1
1 425 . 14 1 1 A 38 38 ARG N N 38 122.992 121.401 1.591 1
1 427 . 14 1 1 A 39 39 VAL H H 39 8.635 9.171 -0.536 1
1 428 . 14 1 1 A 39 39 VAL HA H 39 4.358 3.538 0.820 1
1 436 . 14 1 1 A 39 39 VAL C C 39 172.241 178.747 -6.506 1
1 437 . 14 1 1 A 39 39 VAL CA C 39 58.334 65.164 -6.830 1
1 438 . 14 1 1 A 39 39 VAL CB C 39 35.214 37.841 -2.627 1
1 441 . 14 1 1 A 39 39 VAL N N 39 118.388 120.690 -2.302 1
1 442 . 14 1 1 A 40 40 SER H H 40 6.388 8.599 -2.211 1
1 446 . 14 1 1 A 40 40 SER C C 40 175.046 176.685 -1.639 1
1 447 . 14 1 1 A 40 40 SER CA C 40 56.216 47.248 8.968 1
1 449 . 14 1 1 A 40 40 SER N N 40 108.799 108.282 0.517 1
1 450 . 14 1 1 A 41 41 GLY H H 41 9.085 7.700 1.385 1
1 451 . 14 1 1 A 41 41 GLY HA2 H 41 3.850 3.148 0.702 1
1 452 . 14 1 1 A 41 41 GLY HA3 H 41 4.321 3.524 0.797 1
1 453 . 14 1 1 A 41 41 GLY C C 41 173.137 175.809 -2.672 1
1 454 . 14 1 1 A 41 41 GLY CA C 41 47.346 46.401 0.945 1
1 455 . 14 1 1 A 41 41 GLY N N 41 107.767 109.339 -1.572 1
1 456 . 14 1 1 A 42 42 ASP H H 42 7.994 7.591 0.403 1
1 457 . 14 1 1 A 42 42 ASP HA H 42 4.498 3.548 0.950 1
1 460 . 14 1 1 A 42 42 ASP C C 42 175.609 177.594 -1.985 1
1 461 . 14 1 1 A 42 42 ASP CA C 42 53.241 65.664 -12.423 1
1 462 . 14 1 1 A 42 42 ASP CB C 42 40.331 31.584 8.747 1
1 463 . 14 1 1 A 42 42 ASP N N 42 112.956 121.597 -8.641 1
1 464 . 14 1 1 A 43 43 LEU H H 43 7.431 8.159 -0.728 1
1 465 . 14 1 1 A 43 43 LEU HA H 43 4.210 3.463 0.747 1
1 475 . 14 1 1 A 43 43 LEU C C 43 175.552 178.288 -2.736 1
1 476 . 14 1 1 A 43 43 LEU CA C 43 55.199 58.917 -3.718 1
1 477 . 14 1 1 A 43 43 LEU CB C 43 42.398 32.720 9.678 1
1 481 . 14 1 1 A 43 43 LEU N N 43 123.293 117.472 5.821 1
1 482 . 14 1 1 A 44 44 HIS H H 44 8.405 7.820 0.585 1
1 483 . 14 1 1 A 44 44 HIS HA H 44 5.154 3.934 1.220 1
1 488 . 14 1 1 A 44 44 HIS C C 44 177.511 178.575 -1.064 1
1 489 . 14 1 1 A 44 44 HIS CA C 44 54.692 57.828 -3.136 1
1 490 . 14 1 1 A 44 44 HIS CB C 44 30.868 41.770 -10.902 1
1 493 . 14 1 1 A 44 44 HIS N N 44 121.975 121.090 0.885 1
1 494 . 14 1 1 A 45 45 ILE H H 45 8.628 7.615 1.013 1
1 495 . 14 1 1 A 45 45 ILE HA H 45 3.445 3.850 -0.405 1
1 505 . 14 1 1 A 45 45 ILE C C 45 179.116 178.983 0.133 1
1 506 . 14 1 1 A 45 45 ILE CA C 45 62.585 59.569 3.016 1
1 507 . 14 1 1 A 45 45 ILE CB C 45 35.492 32.124 3.368 1
1 511 . 14 1 1 A 45 45 ILE N N 45 124.304 118.906 5.398 1
1 512 . 14 1 1 A 46 46 GLY H H 46 9.792 7.656 2.136 1
1 515 . 14 1 1 A 46 46 GLY C C 46 175.742 178.638 -2.896 1
1 516 . 14 1 1 A 46 46 GLY CA C 46 46.812 57.980 -11.168 1
1 517 . 14 1 1 A 46 46 GLY N N 46 106.610 120.482 -13.872 1
1 518 . 14 1 1 A 47 47 GLY H H 47 6.761 7.778 -1.017 1
1 521 . 14 1 1 A 47 47 GLY C C 47 176.182 177.147 -0.965 1
1 522 . 14 1 1 A 47 47 GLY CA C 47 46.819 66.570 -19.751 1
1 523 . 14 1 1 A 47 47 GLY N N 47 109.580 117.788 -8.208 1
1 524 . 14 1 1 A 48 48 VAL H H 48 7.669 8.231 -0.562 1
1 525 . 14 1 1 A 48 48 VAL HA H 48 3.083 3.968 -0.885 1
1 533 . 14 1 1 A 48 48 VAL C C 48 176.849 179.559 -2.710 1
1 534 . 14 1 1 A 48 48 VAL CA C 48 66.775 59.095 7.680 1
1 535 . 14 1 1 A 48 48 VAL CB C 48 30.944 28.974 1.970 1
1 538 . 14 1 1 A 48 48 VAL N N 48 123.461 118.703 4.758 1
1 539 . 14 1 1 A 49 49 MET H H 49 7.632 7.880 -0.248 1
1 540 . 14 1 1 A 49 49 MET HA H 49 3.143 4.041 -0.898 1
1 548 . 14 1 1 A 49 49 MET C C 49 176.774 178.127 -1.353 1
1 549 . 14 1 1 A 49 49 MET CA C 49 59.972 58.380 1.592 1
1 550 . 14 1 1 A 49 49 MET CB C 49 33.142 28.493 4.649 1
1 553 . 14 1 1 A 49 49 MET N N 49 115.691 119.873 -4.182 1
1 554 . 14 1 1 A 50 50 LEU H H 50 7.535 8.025 -0.490 1
1 555 . 14 1 1 A 50 50 LEU HA H 50 3.821 4.438 -0.617 1
1 565 . 14 1 1 A 50 50 LEU C C 50 179.001 176.189 2.812 1
1 566 . 14 1 1 A 50 50 LEU CA C 50 57.910 58.449 -0.539 1
1 567 . 14 1 1 A 50 50 LEU CB C 50 41.821 32.358 9.463 1
1 571 . 14 1 1 A 50 50 LEU N N 50 117.445 117.741 -0.296 1
1 572 . 14 1 1 A 51 51 LYS H H 51 7.447 8.351 -0.904 1
1 573 . 14 1 1 A 51 51 LYS HA H 51 3.880 4.542 -0.662 1
1 582 . 14 1 1 A 51 51 LYS C C 51 178.975 173.913 5.062 1
1 583 . 14 1 1 A 51 51 LYS CA C 51 59.003 53.960 5.043 1
1 584 . 14 1 1 A 51 51 LYS CB C 51 32.890 37.104 -4.214 1
1 588 . 14 1 1 A 51 51 LYS N N 51 118.306 117.244 1.062 1
1 589 . 14 1 1 A 52 52 LEU H H 52 7.547 7.719 -0.172 1
1 590 . 14 1 1 A 52 52 LEU HA H 52 3.523 4.642 -1.119 1
1 600 . 14 1 1 A 52 52 LEU C C 52 177.676 175.073 2.603 1
1 601 . 14 1 1 A 52 52 LEU CA C 52 58.038 59.859 -1.821 1
1 602 . 14 1 1 A 52 52 LEU CB C 52 41.660 40.903 0.757 1
1 606 . 14 1 1 A 52 52 LEU N N 52 119.198 118.771 0.427 1
1 607 . 14 1 1 A 53 53 VAL H H 53 7.368 8.883 -1.515 1
1 608 . 14 1 1 A 53 53 VAL HA H 53 2.469 4.769 -2.300 1
1 616 . 14 1 1 A 53 53 VAL C C 53 179.189 176.680 2.509 1
1 617 . 14 1 1 A 53 53 VAL CA C 53 66.706 51.430 15.276 1
1 618 . 14 1 1 A 53 53 VAL CB C 53 31.343 19.049 12.294 1
1 621 . 14 1 1 A 53 53 VAL N N 53 117.879 130.645 -12.766 1
1 622 . 14 1 1 A 54 54 GLU H H 54 7.966 8.341 -0.375 1
1 623 . 14 1 1 A 54 54 GLU HA H 54 3.865 4.690 -0.825 1
1 628 . 14 1 1 A 54 54 GLU C C 54 178.593 173.656 4.937 1
1 629 . 14 1 1 A 54 54 GLU CA C 54 58.935 53.539 5.396 1
1 630 . 14 1 1 A 54 54 GLU CB C 54 29.772 32.194 -2.422 1
1 632 . 14 1 1 A 54 54 GLU N N 54 119.295 122.323 -3.028 1
1 633 . 14 1 1 A 55 55 GLN H H 55 7.651 8.393 -0.742 1
1 634 . 14 1 1 A 55 55 GLN HA H 55 4.005 4.516 -0.511 1
1 641 . 14 1 1 A 55 55 GLN C C 55 177.512 176.204 1.308 1
1 642 . 14 1 1 A 55 55 GLN CA C 55 57.362 52.873 4.489 1
1 643 . 14 1 1 A 55 55 GLN CB C 55 28.938 40.217 -11.279 1
1 645 . 14 1 1 A 55 55 GLN N N 55 116.036 121.179 -5.143 1
1 647 . 14 1 1 A 56 56 MET H H 56 7.691 7.829 -0.138 1
1 648 . 14 1 1 A 56 56 MET HA H 56 4.316 4.538 -0.222 1
1 656 . 14 1 1 A 56 56 MET C C 56 176.572 177.677 -1.105 1
1 657 . 14 1 1 A 56 56 MET CA C 56 56.492 57.620 -1.128 1
1 658 . 14 1 1 A 56 56 MET CB C 56 32.901 28.753 4.148 1
1 661 . 14 1 1 A 56 56 MET N N 56 117.664 125.828 -8.164 1
1 662 . 14 1 1 A 57 57 ASN H H 57 7.816 8.046 -0.230 1
1 663 . 14 1 1 A 57 57 ASN HA H 57 4.495 4.290 0.205 1
1 668 . 14 1 1 A 57 57 ASN C C 57 174.613 175.851 -1.238 1
1 669 . 14 1 1 A 57 57 ASN CA C 57 53.813 61.837 -8.024 1
1 670 . 14 1 1 A 57 57 ASN CB C 57 37.713 63.062 -25.349 1
1 671 . 14 1 1 A 57 57 ASN N N 57 115.864 116.274 -0.410 1
1 673 . 14 1 1 A 58 58 ILE H H 58 8.391 7.531 0.860 1
1 674 . 14 1 1 A 58 58 ILE HA H 58 4.284 4.745 -0.461 1
1 684 . 14 1 1 A 58 58 ILE C C 58 175.277 174.569 0.708 1
1 685 . 14 1 1 A 58 58 ILE CA C 58 60.631 53.119 7.512 1
1 686 . 14 1 1 A 58 58 ILE CB C 58 41.470 39.325 2.145 1
1 690 . 14 1 1 A 58 58 ILE N N 58 117.760 119.274 -1.514 1
1 691 . 14 1 1 A 59 59 ALA H H 59 8.438 8.082 0.356 1
1 692 . 14 1 1 A 59 59 ALA HA H 59 4.535 5.178 -0.643 1
1 696 . 14 1 1 A 59 59 ALA C C 59 175.554 174.987 0.567 1
1 697 . 14 1 1 A 59 59 ALA CA C 59 51.604 57.064 -5.460 1
1 698 . 14 1 1 A 59 59 ALA CB C 59 17.256 42.905 -25.649 1
1 699 . 14 1 1 A 59 59 ALA N N 59 129.371 124.753 4.618 1
1 700 . 14 1 1 A 60 60 GLN H H 60 7.498 8.167 -0.669 1
1 701 . 14 1 1 A 60 60 GLN HA H 60 4.291 5.238 -0.947 1
1 708 . 14 1 1 A 60 60 GLN C C 60 172.908 176.468 -3.560 1
1 709 . 14 1 1 A 60 60 GLN CA C 60 53.492 51.521 1.971 1
1 710 . 14 1 1 A 60 60 GLN CB C 60 30.340 23.652 6.688 1
1 712 . 14 1 1 A 60 60 GLN N N 60 120.550 125.837 -5.287 1
1 714 . 14 1 1 A 61 61 ASP H H 61 8.086 8.860 -0.774 1
1 715 . 14 1 1 A 61 61 ASP HA H 61 4.622 5.242 -0.620 1
1 718 . 14 1 1 A 61 61 ASP C C 61 177.529 176.106 1.423 1
1 719 . 14 1 1 A 61 61 ASP CA C 61 53.520 54.614 -1.094 1
1 720 . 14 1 1 A 61 61 ASP CB C 61 40.493 43.205 -2.712 1
1 721 . 14 1 1 A 61 61 ASP N N 61 118.225 119.359 -1.134 1
1 722 . 14 1 1 A 62 62 TRP H H 62 8.999 9.976 -0.977 1
1 723 . 14 1 1 A 62 62 TRP HA H 62 4.578 5.001 -0.423 1
1 732 . 14 1 1 A 62 62 TRP C C 62 178.609 174.728 3.881 1
1 733 . 14 1 1 A 62 62 TRP CA C 62 57.200 55.011 2.189 1
1 734 . 14 1 1 A 62 62 TRP CB C 62 29.155 30.851 -1.696 1
1 740 . 14 1 1 A 62 62 TRP N N 62 129.134 126.514 2.620 1
1 742 . 14 1 1 A 63 63 SER H H 63 8.756 8.738 0.018 1
1 743 . 14 1 1 A 63 63 SER HA H 63 4.127 4.686 -0.559 1
1 746 . 14 1 1 A 63 63 SER C C 63 175.119 175.311 -0.192 1
1 747 . 14 1 1 A 63 63 SER CA C 63 62.933 55.703 7.230 1
1 748 . 14 1 1 A 63 63 SER CB C 63 63.120 29.489 33.631 1
1 749 . 14 1 1 A 63 63 SER N N 63 119.231 129.665 -10.434 1
1 750 . 14 1 1 A 64 64 ASP H H 64 9.095 8.378 0.717 1
1 751 . 14 1 1 A 64 64 ASP HA H 64 4.876 3.476 1.400 1
1 754 . 14 1 1 A 64 64 ASP C C 64 177.267 178.084 -0.817 1
1 755 . 14 1 1 A 64 64 ASP CA C 64 54.157 59.302 -5.145 1
1 756 . 14 1 1 A 64 64 ASP CB C 64 43.116 29.462 13.654 1
1 757 . 14 1 1 A 64 64 ASP N N 64 120.137 126.029 -5.892 1
1 758 . 14 1 1 A 65 65 TYR H H 65 7.991 8.128 -0.137 1
1 759 . 14 1 1 A 65 65 TYR HA H 65 4.151 4.007 0.144 1
1 766 . 14 1 1 A 65 65 TYR C C 65 175.746 177.450 -1.704 1
1 767 . 14 1 1 A 65 65 TYR CA C 65 59.053 58.712 0.341 1
1 768 . 14 1 1 A 65 65 TYR CB C 65 38.836 28.308 10.528 1
1 773 . 14 1 1 A 65 65 TYR N N 65 121.458 119.042 2.416 1
1 774 . 14 1 1 A 66 66 ALA H H 66 8.698 7.109 1.589 1
1 775 . 14 1 1 A 66 66 ALA HA H 66 4.794 3.948 0.846 1
1 779 . 14 1 1 A 66 66 ALA C C 66 175.126 175.318 -0.192 1
1 780 . 14 1 1 A 66 66 ALA CA C 66 51.166 55.640 -4.474 1
1 781 . 14 1 1 A 66 66 ALA CB C 66 23.771 32.405 -8.634 1
1 782 . 14 1 1 A 66 66 ALA N N 66 122.944 116.725 6.219 1
1 783 . 14 1 1 A 67 67 LEU H H 67 9.131 7.316 1.815 1
1 784 . 14 1 1 A 67 67 LEU HA H 67 5.498 3.081 2.417 1
1 794 . 14 1 1 A 67 67 LEU C C 67 174.489 174.270 0.219 1
1 795 . 14 1 1 A 67 67 LEU CA C 67 53.987 56.664 -2.677 1
1 796 . 14 1 1 A 67 67 LEU CB C 67 44.080 27.923 16.157 1
1 800 . 14 1 1 A 67 67 LEU N N 67 118.646 116.272 2.374 1
1 801 . 14 1 1 A 68 68 TRP H H 68 9.934 6.643 3.291 1
1 802 . 14 1 1 A 68 68 TRP HA H 68 4.680 4.900 -0.220 1
1 811 . 14 1 1 A 68 68 TRP C C 68 174.148 173.084 1.064 1
1 812 . 14 1 1 A 68 68 TRP CA C 68 55.276 57.794 -2.518 1
1 813 . 14 1 1 A 68 68 TRP CB C 68 30.222 31.406 -1.184 1
1 819 . 14 1 1 A 68 68 TRP N N 68 126.978 116.149 10.829 1
1 821 . 14 1 1 A 69 69 TRP H H 69 8.507 8.958 -0.451 1
1 822 . 14 1 1 A 69 69 TRP HA H 69 5.060 5.625 -0.565 1
1 831 . 14 1 1 A 69 69 TRP C C 69 175.837 176.038 -0.201 1
1 832 . 14 1 1 A 69 69 TRP CA C 69 52.520 56.322 -3.802 1
1 833 . 14 1 1 A 69 69 TRP CB C 69 30.500 31.416 -0.916 1
1 839 . 14 1 1 A 69 69 TRP N N 69 129.756 125.075 4.681 1
1 841 . 14 1 1 A 70 70 GLU H H 70 8.917 9.656 -0.739 1
1 842 . 14 1 1 A 70 70 GLU HA H 70 3.817 4.593 -0.776 1
1 847 . 14 1 1 A 70 70 GLU C C 70 179.449 177.019 2.430 1
1 848 . 14 1 1 A 70 70 GLU CA C 70 60.208 54.566 5.642 1
1 849 . 14 1 1 A 70 70 GLU CB C 70 29.937 41.141 -11.204 1
1 851 . 14 1 1 A 70 70 GLU N N 70 126.517 126.181 0.336 1
1 852 . 14 1 1 A 71 71 GLN H H 71 8.515 8.514 0.001 1
1 853 . 14 1 1 A 71 71 GLN HA H 71 3.782 4.726 -0.944 1
1 860 . 14 1 1 A 71 71 GLN C C 71 177.266 177.215 0.051 1
1 861 . 14 1 1 A 71 71 GLN CA C 71 61.006 54.302 6.704 1
1 862 . 14 1 1 A 71 71 GLN CB C 71 27.451 42.881 -15.430 1
1 864 . 14 1 1 A 71 71 GLN N N 71 114.822 125.903 -11.081 1
1 866 . 14 1 1 A 72 72 LYS H H 72 5.086 7.537 -2.451 1
1 867 . 14 1 1 A 72 72 LYS HA H 72 3.719 4.536 -0.817 1
1 876 . 14 1 1 A 72 72 LYS C C 72 174.268 177.339 -3.071 1
1 877 . 14 1 1 A 72 72 LYS CA C 72 53.864 55.106 -1.242 1
1 878 . 14 1 1 A 72 72 LYS CB C 72 33.242 29.814 3.428 1
1 882 . 14 1 1 A 72 72 LYS N N 72 112.499 120.244 -7.745 1
1 883 . 14 1 1 A 73 73 ARG H H 73 7.402 8.160 -0.758 1
1 884 . 14 1 1 A 73 73 ARG HA H 73 2.800 4.231 -1.431 1
1 892 . 14 1 1 A 73 73 ARG C C 73 173.935 176.768 -2.833 1
1 893 . 14 1 1 A 73 73 ARG CA C 73 56.187 64.866 -8.679 1
1 894 . 14 1 1 A 73 73 ARG CB C 73 26.602 69.040 -42.438 1
1 897 . 14 1 1 A 73 73 ARG N N 73 118.477 113.268 5.209 1
1 899 . 14 1 1 A 74 74 CYS H H 74 6.242 8.070 -1.828 1
1 900 . 14 1 1 A 74 74 CYS HA H 74 4.671 4.366 0.305 1
1 903 . 14 1 1 A 74 74 CYS C C 74 171.332 175.829 -4.497 1
1 904 . 14 1 1 A 74 74 CYS CA C 74 54.443 57.760 -3.317 1
1 905 . 14 1 1 A 74 74 CYS CB C 74 31.599 30.665 0.934 1
1 906 . 14 1 1 A 74 74 CYS N N 74 110.705 121.924 -11.219 1
1 907 . 14 1 1 A 75 75 TRP H H 75 8.567 7.945 0.622 1
1 908 . 14 1 1 A 75 75 TRP HA H 75 5.414 4.685 0.729 1
1 917 . 14 1 1 A 75 75 TRP C C 75 177.638 176.428 1.210 1
1 918 . 14 1 1 A 75 75 TRP CA C 75 55.720 57.123 -1.403 1
1 919 . 14 1 1 A 75 75 TRP CB C 75 30.966 30.546 0.420 1
1 925 . 14 1 1 A 75 75 TRP N N 75 120.876 119.055 1.821 1
1 927 . 14 1 1 A 76 76 LEU H H 76 9.181 8.870 0.311 1
1 928 . 14 1 1 A 76 76 LEU HA H 76 4.737 4.808 -0.071 1
1 938 . 14 1 1 A 76 76 LEU C C 76 175.745 176.479 -0.734 1
1 939 . 14 1 1 A 76 76 LEU CA C 76 53.729 60.349 -6.620 1
1 940 . 14 1 1 A 76 76 LEU CB C 76 40.810 71.715 -30.905 1
1 944 . 14 1 1 A 76 76 LEU N N 76 125.488 114.501 10.987 1
1 945 . 14 1 1 A 77 77 LEU H H 77 7.711 9.323 -1.612 1
1 946 . 14 1 1 A 77 77 LEU HA H 77 4.416 4.094 0.322 1
1 956 . 14 1 1 A 77 77 LEU C C 77 178.257 178.973 -0.716 1
1 957 . 14 1 1 A 77 77 LEU CA C 77 54.539 58.473 -3.934 1
1 958 . 14 1 1 A 77 77 LEU CB C 77 42.566 41.631 0.935 1
1 962 . 14 1 1 A 77 77 LEU N N 77 119.493 123.001 -3.508 1
1 963 . 14 1 1 A 78 78 LYS H H 78 8.173 8.686 -0.513 1
1 964 . 14 1 1 A 78 78 LYS HA H 78 4.380 4.431 -0.051 1
1 973 . 14 1 1 A 78 78 LYS C C 78 177.029 178.517 -1.488 1
1 974 . 14 1 1 A 78 78 LYS CA C 78 54.048 57.776 -3.728 1
1 975 . 14 1 1 A 78 78 LYS CB C 78 28.755 41.145 -12.390 1
1 979 . 14 1 1 A 78 78 LYS N N 78 121.730 118.906 2.824 1
1 980 . 14 1 1 A 79 79 THR H H 79 7.812 7.693 0.119 1
1 981 . 14 1 1 A 79 79 THR HA H 79 3.677 4.101 -0.424 1
1 986 . 14 1 1 A 79 79 THR C C 79 175.193 178.830 -3.637 1
1 987 . 14 1 1 A 79 79 THR CA C 79 64.890 59.105 5.785 1
1 988 . 14 1 1 A 79 79 THR CB C 79 68.447 32.134 36.313 1
1 990 . 14 1 1 A 79 79 THR N N 79 114.142 118.465 -4.323 1
1 991 . 14 1 1 A 80 80 HIS H H 80 8.929 8.240 0.689 1
1 992 . 14 1 1 A 80 80 HIS HA H 80 4.759 4.772 -0.013 1
1 995 . 14 1 1 A 80 80 HIS C C 80 175.622 175.420 0.202 1
1 996 . 14 1 1 A 80 80 HIS CA C 80 56.078 59.830 -3.752 1
1 997 . 14 1 1 A 80 80 HIS CB C 80 29.927 27.936 1.991 1
1 998 . 14 1 1 A 80 80 HIS N N 80 117.372 115.891 1.481 1
1 999 . 14 1 1 A 81 81 TRP H H 81 8.544 8.314 0.230 1
1 1009 . 14 1 1 A 81 81 TRP C C 81 175.952 174.206 1.746 1
1 1010 . 14 1 1 A 81 81 TRP CA C 81 56.009 45.684 10.325 1
1 1017 . 14 1 1 A 81 81 TRP N N 81 122.512 109.245 13.267 1
1 1019 . 14 1 1 A 82 82 THR H H 82 7.587 7.616 -0.029 1
1 1020 . 14 1 1 A 82 82 THR HA H 82 4.725 4.370 0.355 1
1 1025 . 14 1 1 A 82 82 THR C C 82 176.305 174.292 2.013 1
1 1026 . 14 1 1 A 82 82 THR CA C 82 60.250 60.488 -0.238 1
1 1027 . 14 1 1 A 82 82 THR CB C 82 70.601 33.007 37.594 1
1 1029 . 14 1 1 A 82 82 THR N N 82 109.728 121.175 -11.447 1
1 1030 . 14 1 1 A 83 83 LEU H H 83 8.354 8.715 -0.361 1
1 1031 . 14 1 1 A 83 83 LEU HA H 83 3.798 3.938 -0.140 1
1 1040 . 14 1 1 A 83 83 LEU C C 83 179.461 174.971 4.490 1
1 1041 . 14 1 1 A 83 83 LEU CA C 83 59.442 53.335 6.107 1
1 1042 . 14 1 1 A 83 83 LEU CB C 83 40.758 31.722 9.036 1
1 1045 . 14 1 1 A 83 83 LEU N N 83 122.120 127.061 -4.941 1
1 1046 . 14 1 1 A 84 84 ASP H H 84 8.985 7.668 1.317 1
1 1047 . 14 1 1 A 84 84 ASP HA H 84 4.427 4.199 0.228 1
1 1050 . 14 1 1 A 84 84 ASP C C 84 179.464 176.936 2.528 1
1 1051 . 14 1 1 A 84 84 ASP CA C 84 57.459 51.506 5.953 1
1 1052 . 14 1 1 A 84 84 ASP CB C 84 40.243 17.261 22.982 1
1 1053 . 14 1 1 A 84 84 ASP N N 84 118.020 122.782 -4.762 1
1 1054 . 14 1 1 A 85 85 LYS H H 85 8.134 8.675 -0.541 1
1 1055 . 14 1 1 A 85 85 LYS HA H 85 3.820 4.856 -1.036 1
1 1064 . 14 1 1 A 85 85 LYS C C 85 178.824 175.377 3.447 1
1 1065 . 14 1 1 A 85 85 LYS CA C 85 59.103 55.272 3.831 1
1 1066 . 14 1 1 A 85 85 LYS CB C 85 32.229 44.154 -11.925 1
1 1070 . 14 1 1 A 85 85 LYS N N 85 123.380 123.191 0.189 1
1 1071 . 14 1 1 A 86 86 CYS H H 86 8.083 7.280 0.803 1
1 1072 . 14 1 1 A 86 86 CYS HA H 86 4.439 4.417 0.022 1
1 1075 . 14 1 1 A 86 86 CYS C C 86 174.621 176.842 -2.221 1
1 1076 . 14 1 1 A 86 86 CYS CA C 86 61.800 52.473 9.327 1
1 1077 . 14 1 1 A 86 86 CYS CB C 86 28.700 19.512 9.188 1
1 1078 . 14 1 1 A 86 86 CYS N N 86 113.734 121.475 -7.741 1
1 1079 . 14 1 1 A 87 87 GLY H H 87 7.904 8.907 -1.003 1
1 1082 . 14 1 1 A 87 87 GLY C C 87 174.471 173.841 0.630 1
1 1083 . 14 1 1 A 87 87 GLY CA C 87 45.434 52.126 -6.692 1
1 1084 . 14 1 1 A 87 87 GLY N N 87 107.243 120.460 -13.217 1
1 1085 . 14 1 1 A 88 88 VAL H H 88 7.635 9.097 -1.462 1
1 1086 . 14 1 1 A 88 88 VAL HA H 88 3.165 4.986 -1.821 1
1 1094 . 14 1 1 A 88 88 VAL C C 88 173.926 174.547 -0.621 1
1 1095 . 14 1 1 A 88 88 VAL CA C 88 63.281 53.425 9.856 1
1 1096 . 14 1 1 A 88 88 VAL CB C 88 31.892 44.216 -12.324 1
1 1099 . 14 1 1 A 88 88 VAL N N 88 122.351 128.961 -6.610 1
1 1100 . 14 1 1 A 89 89 GLN H H 89 7.651 9.281 -1.630 1
1 1101 . 14 1 1 A 89 89 GLN HA H 89 3.946 5.651 -1.705 1
1 1108 . 14 1 1 A 89 89 GLN C C 89 175.629 175.162 0.467 1
1 1109 . 14 1 1 A 89 89 GLN CA C 89 53.861 53.382 0.479 1
1 1110 . 14 1 1 A 89 89 GLN CB C 89 31.010 44.705 -13.695 1
1 1112 . 14 1 1 A 89 89 GLN N N 89 125.820 129.335 -3.515 1
1 1114 . 14 1 1 A 90 90 ALA H H 90 7.025 9.641 -2.616 1
1 1115 . 14 1 1 A 90 90 ALA HA H 90 3.873 5.423 -1.550 1
1 1119 . 14 1 1 A 90 90 ALA C C 90 177.042 174.525 2.517 1
1 1120 . 14 1 1 A 90 90 ALA CA C 90 54.869 56.151 -1.282 1
1 1121 . 14 1 1 A 90 90 ALA CB C 90 18.818 41.054 -22.236 1
1 1122 . 14 1 1 A 90 90 ALA N N 90 118.713 128.074 -9.361 1
1 1123 . 14 1 1 A 91 91 ASP H H 91 8.310 8.812 -0.502 1
1 1124 . 14 1 1 A 91 91 ASP HA H 91 4.415 4.798 -0.383 1
1 1127 . 14 1 1 A 91 91 ASP C C 91 176.371 170.951 5.420 1
1 1128 . 14 1 1 A 91 91 ASP CA C 91 53.133 57.983 -4.850 1
1 1129 . 14 1 1 A 91 91 ASP CB C 91 39.673 72.699 -33.026 1
1 1130 . 14 1 1 A 91 91 ASP N N 91 113.050 121.548 -8.498 1
1 1132 . 14 1 1 A 92 92 ALA HA H 92 4.237 4.054 0.183 1
1 1136 . 14 1 1 A 92 92 ALA C C 92 176.536 176.376 0.160 1
1 1137 . 14 1 1 A 92 92 ALA CA C 92 53.721 62.255 -8.534 1
1 1138 . 14 1 1 A 92 92 ALA CB C 92 19.774 31.572 -11.798 1
1 1139 . 14 1 1 A 92 92 ALA N N 92 124.114 139.052 -14.938 1
1 1140 . 14 1 1 A 93 93 ASN H H 93 9.478 7.376 2.102 1
1 1141 . 14 1 1 A 93 93 ASN HA H 93 5.141 3.884 1.257 1
1 1146 . 14 1 1 A 93 93 ASN C C 93 173.906 175.764 -1.858 1
1 1147 . 14 1 1 A 93 93 ASN CA C 93 52.433 55.062 -2.629 1
1 1148 . 14 1 1 A 93 93 ASN CB C 93 38.547 27.679 10.868 1
1 1149 . 14 1 1 A 93 93 ASN N N 93 123.235 118.363 4.872 1
1 1151 . 14 1 1 A 94 94 LEU H H 94 8.675 7.401 1.274 1
1 1152 . 14 1 1 A 94 94 LEU HA H 94 5.429 4.311 1.118 1
1 1162 . 14 1 1 A 94 94 LEU C C 94 175.486 174.423 1.063 1
1 1163 . 14 1 1 A 94 94 LEU CA C 94 53.003 57.426 -4.423 1
1 1164 . 14 1 1 A 94 94 LEU CB C 94 44.739 30.465 14.274 1
1 1168 . 14 1 1 A 94 94 LEU N N 94 122.901 121.226 1.675 1
1 1169 . 14 1 1 A 95 95 LEU H H 95 9.412 7.979 1.433 1
1 1170 . 14 1 1 A 95 95 LEU HA H 95 5.388 4.415 0.973 1
1 1180 . 14 1 1 A 95 95 LEU C C 95 174.403 175.867 -1.464 1
1 1181 . 14 1 1 A 95 95 LEU CA C 95 53.155 55.323 -2.168 1
1 1182 . 14 1 1 A 95 95 LEU CB C 95 46.432 32.529 13.903 1
1 1186 . 14 1 1 A 95 95 LEU N N 95 126.034 125.961 0.073 1
1 3 . 15 1 1 A 1 1 GLY C C 1 173.950 174.919 -0.969 1
1 4 . 15 1 1 A 1 1 GLY CA C 1 45.289 56.224 -10.935 1
1 5 . 15 1 1 A 2 2 ILE H H 2 8.026 7.917 0.109 1
1 6 . 15 1 1 A 2 2 ILE HA H 2 4.518 4.522 -0.004 1
1 16 . 15 1 1 A 2 2 ILE CA C 2 54.315 54.087 0.228 1
1 17 . 15 1 1 A 2 2 ILE CB C 2 41.381 42.973 -1.592 1
1 21 . 15 1 1 A 2 2 ILE N N 2 120.237 118.416 1.821 1
1 22 . 15 1 1 A 3 3 ASP H H 3 8.212 8.472 -0.260 1
1 25 . 15 1 1 A 3 3 ASP CB C 3 41.116 62.280 -21.164 1
1 26 . 15 1 1 A 3 3 ASP N N 3 126.816 114.905 11.911 1
1 27 . 15 1 1 A 4 4 PRO HA H 4 3.818 4.691 -0.873 1
1 28 . 15 1 1 A 4 4 PRO C C 4 176.930 174.220 2.710 1
1 29 . 15 1 1 A 4 4 PRO CA C 4 63.589 58.288 5.301 1
1 30 . 15 1 1 A 5 5 PHE H H 5 8.214 8.272 -0.058 1
1 33 . 15 1 1 A 5 5 PHE C C 5 176.204 172.173 4.031 1
1 34 . 15 1 1 A 5 5 PHE CA C 5 58.089 45.700 12.389 1
1 36 . 15 1 1 A 5 5 PHE N N 5 118.317 113.160 5.157 1
1 37 . 15 1 1 A 6 6 THR H H 6 7.789 8.835 -1.046 1
1 38 . 15 1 1 A 6 6 THR HA H 6 4.268 5.239 -0.971 1
1 43 . 15 1 1 A 6 6 THR C C 6 174.096 176.063 -1.967 1
1 44 . 15 1 1 A 6 6 THR CA C 6 62.228 52.868 9.360 1
1 45 . 15 1 1 A 6 6 THR CB C 6 69.842 44.603 25.239 1
1 47 . 15 1 1 A 6 6 THR N N 6 114.242 123.183 -8.941 1
1 48 . 15 1 1 A 7 7 MET H H 7 8.077 8.912 -0.835 1
1 49 . 15 1 1 A 7 7 MET HA H 7 4.721 4.719 0.002 1
1 50 . 15 1 1 A 7 7 MET CA C 7 55.836 54.214 1.622 1
1 51 . 15 1 1 A 7 7 MET N N 7 121.684 127.200 -5.516 1
1 52 . 15 1 1 A 8 8 LEU H H 8 8.043 8.113 -0.070 1
1 53 . 15 1 1 A 8 8 LEU HA H 8 4.322 4.710 -0.388 1
1 60 . 15 1 1 A 8 8 LEU CA C 8 55.142 62.819 -7.677 1
1 63 . 15 1 1 A 8 8 LEU N N 8 122.622 114.811 7.811 1
1 64 . 15 1 1 A 9 9 SER H H 9 8.263 8.594 -0.331 1
1 65 . 15 1 1 A 9 9 SER HA H 9 4.318 4.607 -0.289 1
1 68 . 15 1 1 A 9 9 SER CA C 9 58.256 61.174 -2.918 1
1 69 . 15 1 1 A 9 9 SER CB C 9 63.851 64.352 -0.501 1
1 70 . 15 1 1 A 9 9 SER N N 9 116.455 116.631 -0.176 1
1 71 . 15 1 1 A 10 10 SER H H 10 8.268 8.748 -0.480 1
1 72 . 15 1 1 A 10 10 SER HA H 10 4.418 4.555 -0.137 1
1 75 . 15 1 1 A 10 10 SER C C 10 175.142 176.091 -0.949 1
1 76 . 15 1 1 A 10 10 SER CA C 10 58.684 52.029 6.655 1
1 77 . 15 1 1 A 10 10 SER CB C 10 63.935 19.634 44.301 1
1 78 . 15 1 1 A 10 10 SER N N 10 117.758 121.073 -3.315 1
1 79 . 15 1 1 A 11 11 GLY H H 11 8.300 7.816 0.484 1
1 82 . 15 1 1 A 11 11 GLY C C 11 176.844 173.063 3.781 1
1 83 . 15 1 1 A 11 11 GLY CA C 11 45.340 57.581 -12.241 1
1 84 . 15 1 1 A 11 11 GLY N N 11 110.621 114.859 -4.238 1
1 85 . 15 1 1 A 12 12 ASP H H 12 8.095 8.422 -0.327 1
1 86 . 15 1 1 A 12 12 ASP HA H 12 4.520 5.367 -0.847 1
1 89 . 15 1 1 A 12 12 ASP C C 12 176.422 173.467 2.955 1
1 90 . 15 1 1 A 12 12 ASP CA C 12 54.331 55.161 -0.830 1
1 91 . 15 1 1 A 12 12 ASP CB C 12 41.101 32.411 8.690 1
1 92 . 15 1 1 A 12 12 ASP N N 12 120.276 122.801 -2.525 1
1 93 . 15 1 1 A 13 13 LEU H H 13 8.259 8.853 -0.594 1
1 94 . 15 1 1 A 13 13 LEU HA H 13 4.326 5.296 -0.970 1
1 104 . 15 1 1 A 13 13 LEU C C 13 177.829 175.069 2.760 1
1 105 . 15 1 1 A 13 13 LEU CA C 13 55.426 55.569 -0.143 1
1 106 . 15 1 1 A 13 13 LEU CB C 13 42.043 30.564 11.479 1
1 110 . 15 1 1 A 13 13 LEU N N 13 122.645 119.427 3.218 1
1 111 . 15 1 1 A 14 14 THR H H 14 8.134 9.390 -1.256 1
1 112 . 15 1 1 A 14 14 THR HA H 14 4.265 5.324 -1.059 1
1 117 . 15 1 1 A 14 14 THR C C 14 174.821 174.414 0.407 1
1 118 . 15 1 1 A 14 14 THR CA C 14 62.228 53.550 8.678 1
1 119 . 15 1 1 A 14 14 THR CB C 14 69.762 45.440 24.322 1
1 121 . 15 1 1 A 14 14 THR N N 14 114.338 126.600 -12.262 1
1 122 . 15 1 1 A 15 15 SER H H 15 8.181 8.994 -0.813 1
1 123 . 15 1 1 A 15 15 SER HA H 15 4.429 5.235 -0.806 1
1 126 . 15 1 1 A 15 15 SER C C 15 174.213 174.056 0.157 1
1 127 . 15 1 1 A 15 15 SER CA C 15 58.321 60.627 -2.306 1
1 128 . 15 1 1 A 15 15 SER CB C 15 63.826 33.337 30.489 1
1 129 . 15 1 1 A 15 15 SER N N 15 117.846 126.795 -8.949 1
1 130 . 15 1 1 A 16 16 ALA H H 16 8.284 9.471 -1.187 1
1 131 . 15 1 1 A 16 16 ALA HA H 16 4.395 4.608 -0.213 1
1 135 . 15 1 1 A 16 16 ALA C C 16 177.160 175.012 2.148 1
1 136 . 15 1 1 A 16 16 ALA CA C 16 52.623 60.857 -8.234 1
1 137 . 15 1 1 A 16 16 ALA CB C 16 19.390 34.483 -15.093 1
1 138 . 15 1 1 A 16 16 ALA N N 16 126.207 130.037 -3.830 1
1 139 . 15 1 1 A 17 17 SER H H 17 8.035 9.218 -1.183 1
1 140 . 15 1 1 A 17 17 SER HA H 17 4.891 4.964 -0.073 1
1 143 . 15 1 1 A 17 17 SER C C 17 173.472 175.292 -1.820 1
1 144 . 15 1 1 A 17 17 SER CA C 17 57.547 55.845 1.702 1
1 145 . 15 1 1 A 17 17 SER CB C 17 65.420 31.130 34.290 1
1 146 . 15 1 1 A 17 17 SER N N 17 114.521 127.646 -13.125 1
1 147 . 15 1 1 A 18 18 TRP H H 18 8.523 9.199 -0.676 1
1 148 . 15 1 1 A 18 18 TRP HA H 18 4.787 4.868 -0.081 1
1 157 . 15 1 1 A 18 18 TRP C C 18 173.910 173.972 -0.062 1
1 158 . 15 1 1 A 18 18 TRP CA C 18 55.331 61.730 -6.399 1
1 159 . 15 1 1 A 18 18 TRP CB C 18 30.044 33.034 -2.990 1
1 165 . 15 1 1 A 18 18 TRP N N 18 120.348 125.210 -4.862 1
1 167 . 15 1 1 A 19 19 GLU H H 19 8.542 8.822 -0.280 1
1 168 . 15 1 1 A 19 19 GLU HA H 19 4.957 5.082 -0.125 1
1 173 . 15 1 1 A 19 19 GLU C C 19 175.089 174.562 0.527 1
1 174 . 15 1 1 A 19 19 GLU CA C 19 55.735 52.694 3.041 1
1 175 . 15 1 1 A 19 19 GLU CB C 19 31.683 42.843 -11.160 1
1 177 . 15 1 1 A 19 19 GLU N N 19 117.964 128.157 -10.193 1
1 178 . 15 1 1 A 20 20 LEU H H 20 8.813 9.038 -0.225 1
1 179 . 15 1 1 A 20 20 LEU HA H 20 4.794 4.880 -0.086 1
1 189 . 15 1 1 A 20 20 LEU C C 20 174.656 174.477 0.179 1
1 190 . 15 1 1 A 20 20 LEU CA C 20 53.195 54.876 -1.681 1
1 191 . 15 1 1 A 20 20 LEU CB C 20 46.182 32.014 14.168 1
1 195 . 15 1 1 A 20 20 LEU N N 20 125.925 125.345 0.580 1
1 196 . 15 1 1 A 21 21 VAL H H 21 8.827 8.660 0.167 1
1 197 . 15 1 1 A 21 21 VAL HA H 21 4.499 4.184 0.315 1
1 205 . 15 1 1 A 21 21 VAL C C 21 176.157 177.488 -1.331 1
1 206 . 15 1 1 A 21 21 VAL CA C 21 62.260 52.202 10.058 1
1 207 . 15 1 1 A 21 21 VAL CB C 21 31.627 18.213 13.414 1
1 210 . 15 1 1 A 21 21 VAL N N 21 127.297 126.811 0.486 1
1 211 . 15 1 1 A 22 22 VAL H H 22 9.178 8.234 0.944 1
1 212 . 15 1 1 A 22 22 VAL HA H 22 4.348 4.781 -0.433 1
1 220 . 15 1 1 A 22 22 VAL C C 22 175.253 175.961 -0.708 1
1 221 . 15 1 1 A 22 22 VAL CA C 22 60.925 53.961 6.964 1
1 222 . 15 1 1 A 22 22 VAL CB C 22 34.352 41.317 -6.965 1
1 225 . 15 1 1 A 22 22 VAL N N 22 129.937 123.923 6.014 1
1 226 . 15 1 1 A 23 23 ARG H H 23 8.104 7.927 0.177 1
1 235 . 15 1 1 A 23 23 ARG C C 23 174.950 174.517 0.433 1
1 236 . 15 1 1 A 23 23 ARG CA C 23 55.516 45.140 10.376 1
1 240 . 15 1 1 A 23 23 ARG N N 23 125.848 107.423 18.425 1
1 242 . 15 1 1 A 24 24 VAL H H 24 9.325 7.308 2.017 1
1 243 . 15 1 1 A 24 24 VAL HA H 24 5.011 4.626 0.385 1
1 251 . 15 1 1 A 24 24 VAL C C 24 175.449 175.936 -0.487 1
1 252 . 15 1 1 A 24 24 VAL CA C 24 61.634 55.873 5.761 1
1 253 . 15 1 1 A 24 24 VAL CB C 24 33.928 31.462 2.466 1
1 256 . 15 1 1 A 24 24 VAL N N 24 124.136 119.717 4.419 1
1 257 . 15 1 1 A 25 25 ASP H H 25 8.414 8.555 -0.141 1
1 258 . 15 1 1 A 25 25 ASP HA H 25 5.220 4.695 0.525 1
1 261 . 15 1 1 A 25 25 ASP C C 25 176.671 175.806 0.865 1
1 262 . 15 1 1 A 25 25 ASP CA C 25 52.956 54.661 -1.705 1
1 263 . 15 1 1 A 25 25 ASP CB C 25 43.473 31.105 12.368 1
1 264 . 15 1 1 A 25 25 ASP N N 25 126.172 119.759 6.413 1
1 265 . 15 1 1 A 26 26 HIS H H 26 9.152 8.561 0.591 1
1 266 . 15 1 1 A 26 26 HIS HA H 26 4.542 4.767 -0.225 1
1 271 . 15 1 1 A 26 26 HIS C C 26 174.917 174.866 0.051 1
1 272 . 15 1 1 A 26 26 HIS CA C 26 56.700 55.533 1.167 1
1 273 . 15 1 1 A 26 26 HIS CB C 26 30.185 29.108 1.077 1
1 276 . 15 1 1 A 26 26 HIS N N 26 124.402 119.893 4.509 1
1 277 . 15 1 1 A 27 27 ALA H H 27 9.121 8.853 0.268 1
1 278 . 15 1 1 A 27 27 ALA HA H 27 3.984 4.623 -0.639 1
1 282 . 15 1 1 A 27 27 ALA C C 27 176.927 174.260 2.667 1
1 283 . 15 1 1 A 27 27 ALA CA C 27 53.240 63.562 -10.322 1
1 284 . 15 1 1 A 27 27 ALA CB C 27 17.122 69.343 -52.221 1
1 285 . 15 1 1 A 27 27 ALA N N 27 121.895 121.643 0.252 1
1 286 . 15 1 1 A 28 28 ASN H H 28 8.140 8.994 -0.854 1
1 287 . 15 1 1 A 28 28 ASN HA H 28 4.628 4.989 -0.361 1
1 292 . 15 1 1 A 28 28 ASN C C 28 176.389 175.073 1.316 1
1 293 . 15 1 1 A 28 28 ASN CA C 28 52.466 55.655 -3.189 1
1 294 . 15 1 1 A 28 28 ASN CB C 28 38.624 29.967 8.657 1
1 295 . 15 1 1 A 28 28 ASN N N 28 114.287 126.902 -12.615 1
1 297 . 15 1 1 A 29 29 GLY H H 29 8.254 9.138 -0.884 1
1 300 . 15 1 1 A 29 29 GLY C C 29 174.848 175.524 -0.676 1
1 301 . 15 1 1 A 29 29 GLY CA C 29 45.354 60.717 -15.363 1
1 302 . 15 1 1 A 29 29 GLY N N 29 108.650 126.308 -17.658 1
1 303 . 15 1 1 A 30 30 GLU H H 30 7.860 8.810 -0.950 1
1 304 . 15 1 1 A 30 30 GLU HA H 30 4.267 5.002 -0.735 1
1 309 . 15 1 1 A 30 30 GLU C C 30 176.802 173.827 2.975 1
1 310 . 15 1 1 A 30 30 GLU CA C 30 56.348 62.235 -5.887 1
1 311 . 15 1 1 A 30 30 GLU CB C 30 30.460 69.411 -38.951 1
1 313 . 15 1 1 A 30 30 GLU N N 30 119.375 123.425 -4.050 1
1 314 . 15 1 1 A 31 31 GLN H H 31 8.280 9.457 -1.177 1
1 315 . 15 1 1 A 31 31 GLN HA H 31 4.222 5.055 -0.833 1
1 322 . 15 1 1 A 31 31 GLN C C 31 175.995 175.382 0.613 1
1 323 . 15 1 1 A 31 31 GLN CA C 31 55.917 53.015 2.902 1
1 324 . 15 1 1 A 31 31 GLN CB C 31 30.002 44.208 -14.206 1
1 326 . 15 1 1 A 31 31 GLN N N 31 120.036 127.451 -7.415 1
1 328 . 15 1 1 A 32 32 GLN H H 32 7.520 8.834 -1.314 1
1 329 . 15 1 1 A 32 32 GLN HA H 32 4.905 4.745 0.160 1
1 336 . 15 1 1 A 32 32 GLN C C 32 176.112 175.884 0.228 1
1 337 . 15 1 1 A 32 32 GLN CA C 32 56.211 55.493 0.718 1
1 338 . 15 1 1 A 32 32 GLN CB C 32 30.863 31.185 -0.322 1
1 340 . 15 1 1 A 32 32 GLN N N 32 123.146 125.001 -1.855 1
1 342 . 15 1 1 A 33 33 THR H H 33 8.533 8.809 -0.276 1
1 343 . 15 1 1 A 33 33 THR HA H 33 4.621 4.852 -0.231 1
1 348 . 15 1 1 A 33 33 THR C C 33 173.112 174.068 -0.956 1
1 349 . 15 1 1 A 33 33 THR CA C 33 61.506 58.663 2.843 1
1 350 . 15 1 1 A 33 33 THR CB C 33 71.605 35.223 36.382 1
1 352 . 15 1 1 A 33 33 THR N N 33 118.233 120.551 -2.318 1
1 353 . 15 1 1 A 34 34 GLU H H 34 8.711 8.046 0.665 1
1 354 . 15 1 1 A 34 34 GLU HA H 34 4.939 4.641 0.298 1
1 359 . 15 1 1 A 34 34 GLU C C 34 175.108 176.132 -1.024 1
1 360 . 15 1 1 A 34 34 GLU CA C 34 55.553 55.795 -0.242 1
1 361 . 15 1 1 A 34 34 GLU CB C 34 31.950 66.195 -34.245 1
1 363 . 15 1 1 A 34 34 GLU N N 34 124.692 115.318 9.374 1
1 364 . 15 1 1 A 35 35 ILE H H 35 9.115 8.852 0.263 1
1 375 . 15 1 1 A 35 35 ILE C C 35 174.282 174.189 0.093 1
1 376 . 15 1 1 A 35 35 ILE CA C 35 59.057 47.228 11.829 1
1 381 . 15 1 1 A 35 35 ILE N N 35 127.113 108.820 18.293 1
1 382 . 15 1 1 A 36 36 THR H H 36 8.545 8.136 0.409 1
1 383 . 15 1 1 A 36 36 THR HA H 36 4.772 4.604 0.168 1
1 388 . 15 1 1 A 36 36 THR C C 36 174.054 175.997 -1.943 1
1 389 . 15 1 1 A 36 36 THR CA C 36 62.257 53.711 8.546 1
1 390 . 15 1 1 A 36 36 THR CB C 36 68.948 39.729 29.219 1
1 392 . 15 1 1 A 36 36 THR N N 36 123.057 117.183 5.874 1
1 393 . 15 1 1 A 37 37 LEU H H 37 9.161 7.194 1.967 1
1 394 . 15 1 1 A 37 37 LEU HA H 37 4.503 4.352 0.151 1
1 404 . 15 1 1 A 37 37 LEU C C 37 175.047 176.000 -0.953 1
1 405 . 15 1 1 A 37 37 LEU CA C 37 52.646 54.151 -1.505 1
1 406 . 15 1 1 A 37 37 LEU CB C 37 45.951 43.081 2.870 1
1 410 . 15 1 1 A 37 37 LEU N N 37 128.195 122.832 5.363 1
1 411 . 15 1 1 A 38 38 ARG H H 38 8.258 8.509 -0.251 1
1 412 . 15 1 1 A 38 38 ARG HA H 38 4.556 5.005 -0.449 1
1 420 . 15 1 1 A 38 38 ARG C C 38 175.726 176.418 -0.692 1
1 421 . 15 1 1 A 38 38 ARG CA C 38 55.701 55.284 0.417 1
1 422 . 15 1 1 A 38 38 ARG CB C 38 29.601 31.619 -2.018 1
1 425 . 15 1 1 A 38 38 ARG N N 38 122.992 121.533 1.459 1
1 427 . 15 1 1 A 39 39 VAL H H 39 8.635 9.076 -0.441 1
1 428 . 15 1 1 A 39 39 VAL HA H 39 4.358 3.583 0.775 1
1 436 . 15 1 1 A 39 39 VAL C C 39 172.241 178.432 -6.191 1
1 437 . 15 1 1 A 39 39 VAL CA C 39 58.334 65.209 -6.875 1
1 438 . 15 1 1 A 39 39 VAL CB C 39 35.214 37.833 -2.619 1
1 441 . 15 1 1 A 39 39 VAL N N 39 118.388 120.949 -2.561 1
1 442 . 15 1 1 A 40 40 SER H H 40 6.388 8.506 -2.118 1
1 446 . 15 1 1 A 40 40 SER C C 40 175.046 177.022 -1.976 1
1 447 . 15 1 1 A 40 40 SER CA C 40 56.216 47.465 8.751 1
1 449 . 15 1 1 A 40 40 SER N N 40 108.799 108.989 -0.190 1
1 450 . 15 1 1 A 41 41 GLY H H 41 9.085 8.120 0.965 1
1 451 . 15 1 1 A 41 41 GLY HA2 H 41 3.850 3.436 0.414 1
1 452 . 15 1 1 A 41 41 GLY HA3 H 41 4.321 3.638 0.683 1
1 453 . 15 1 1 A 41 41 GLY C C 41 173.137 175.918 -2.781 1
1 454 . 15 1 1 A 41 41 GLY CA C 41 47.346 46.583 0.763 1
1 455 . 15 1 1 A 41 41 GLY N N 41 107.767 109.837 -2.070 1
1 456 . 15 1 1 A 42 42 ASP H H 42 7.994 7.377 0.617 1
1 457 . 15 1 1 A 42 42 ASP HA H 42 4.498 3.571 0.927 1
1 460 . 15 1 1 A 42 42 ASP C C 42 175.609 177.481 -1.872 1
1 461 . 15 1 1 A 42 42 ASP CA C 42 53.241 65.716 -12.475 1
1 462 . 15 1 1 A 42 42 ASP CB C 42 40.331 31.595 8.736 1
1 463 . 15 1 1 A 42 42 ASP N N 42 112.956 121.663 -8.707 1
1 464 . 15 1 1 A 43 43 LEU H H 43 7.431 7.802 -0.371 1
1 465 . 15 1 1 A 43 43 LEU HA H 43 4.210 3.392 0.818 1
1 475 . 15 1 1 A 43 43 LEU C C 43 175.552 178.046 -2.494 1
1 476 . 15 1 1 A 43 43 LEU CA C 43 55.199 58.538 -3.339 1
1 477 . 15 1 1 A 43 43 LEU CB C 43 42.398 32.750 9.648 1
1 481 . 15 1 1 A 43 43 LEU N N 43 123.293 117.378 5.915 1
1 482 . 15 1 1 A 44 44 HIS H H 44 8.405 7.593 0.812 1
1 483 . 15 1 1 A 44 44 HIS HA H 44 5.154 3.849 1.305 1
1 488 . 15 1 1 A 44 44 HIS C C 44 177.511 178.791 -1.280 1
1 489 . 15 1 1 A 44 44 HIS CA C 44 54.692 57.597 -2.905 1
1 490 . 15 1 1 A 44 44 HIS CB C 44 30.868 41.702 -10.834 1
1 493 . 15 1 1 A 44 44 HIS N N 44 121.975 121.004 0.971 1
1 494 . 15 1 1 A 45 45 ILE H H 45 8.628 7.713 0.915 1
1 495 . 15 1 1 A 45 45 ILE HA H 45 3.445 3.883 -0.438 1
1 505 . 15 1 1 A 45 45 ILE C C 45 179.116 178.869 0.247 1
1 506 . 15 1 1 A 45 45 ILE CA C 45 62.585 59.383 3.202 1
1 507 . 15 1 1 A 45 45 ILE CB C 45 35.492 31.640 3.852 1
1 511 . 15 1 1 A 45 45 ILE N N 45 124.304 119.162 5.142 1
1 512 . 15 1 1 A 46 46 GLY H H 46 9.792 7.558 2.234 1
1 515 . 15 1 1 A 46 46 GLY C C 46 175.742 178.892 -3.150 1
1 516 . 15 1 1 A 46 46 GLY CA C 46 46.812 57.969 -11.157 1
1 517 . 15 1 1 A 46 46 GLY N N 46 106.610 120.442 -13.832 1
1 518 . 15 1 1 A 47 47 GLY H H 47 6.761 7.460 -0.699 1
1 521 . 15 1 1 A 47 47 GLY C C 47 176.182 177.780 -1.598 1
1 522 . 15 1 1 A 47 47 GLY CA C 47 46.819 66.593 -19.774 1
1 523 . 15 1 1 A 47 47 GLY N N 47 109.580 117.548 -7.968 1
1 524 . 15 1 1 A 48 48 VAL H H 48 7.669 8.311 -0.642 1
1 525 . 15 1 1 A 48 48 VAL HA H 48 3.083 3.862 -0.779 1
1 533 . 15 1 1 A 48 48 VAL C C 48 176.849 178.864 -2.015 1
1 534 . 15 1 1 A 48 48 VAL CA C 48 66.775 59.889 6.886 1
1 535 . 15 1 1 A 48 48 VAL CB C 48 30.944 29.133 1.811 1
1 538 . 15 1 1 A 48 48 VAL N N 48 123.461 120.037 3.424 1
1 539 . 15 1 1 A 49 49 MET H H 49 7.632 8.173 -0.541 1
1 540 . 15 1 1 A 49 49 MET HA H 49 3.143 4.071 -0.928 1
1 548 . 15 1 1 A 49 49 MET C C 49 176.774 178.383 -1.609 1
1 549 . 15 1 1 A 49 49 MET CA C 49 59.972 58.464 1.508 1
1 550 . 15 1 1 A 49 49 MET CB C 49 33.142 28.450 4.692 1
1 553 . 15 1 1 A 49 49 MET N N 49 115.691 119.546 -3.855 1
1 554 . 15 1 1 A 50 50 LEU H H 50 7.535 8.117 -0.582 1
1 555 . 15 1 1 A 50 50 LEU HA H 50 3.821 4.204 -0.383 1
1 565 . 15 1 1 A 50 50 LEU C C 50 179.001 176.557 2.444 1
1 566 . 15 1 1 A 50 50 LEU CA C 50 57.910 58.939 -1.029 1
1 567 . 15 1 1 A 50 50 LEU CB C 50 41.821 33.007 8.814 1
1 571 . 15 1 1 A 50 50 LEU N N 50 117.445 118.364 -0.919 1
1 572 . 15 1 1 A 51 51 LYS H H 51 7.447 8.427 -0.980 1
1 573 . 15 1 1 A 51 51 LYS HA H 51 3.880 4.461 -0.581 1
1 582 . 15 1 1 A 51 51 LYS C C 51 178.975 174.179 4.796 1
1 583 . 15 1 1 A 51 51 LYS CA C 51 59.003 54.007 4.996 1
1 584 . 15 1 1 A 51 51 LYS CB C 51 32.890 37.019 -4.129 1
1 588 . 15 1 1 A 51 51 LYS N N 51 118.306 117.406 0.900 1
1 589 . 15 1 1 A 52 52 LEU H H 52 7.547 7.985 -0.438 1
1 590 . 15 1 1 A 52 52 LEU HA H 52 3.523 4.579 -1.056 1
1 600 . 15 1 1 A 52 52 LEU C C 52 177.676 175.591 2.085 1
1 601 . 15 1 1 A 52 52 LEU CA C 52 58.038 59.707 -1.669 1
1 602 . 15 1 1 A 52 52 LEU CB C 52 41.660 40.197 1.463 1
1 606 . 15 1 1 A 52 52 LEU N N 52 119.198 119.163 0.035 1
1 607 . 15 1 1 A 53 53 VAL H H 53 7.368 8.478 -1.110 1
1 608 . 15 1 1 A 53 53 VAL HA H 53 2.469 4.445 -1.976 1
1 616 . 15 1 1 A 53 53 VAL C C 53 179.189 176.151 3.038 1
1 617 . 15 1 1 A 53 53 VAL CA C 53 66.706 51.974 14.732 1
1 618 . 15 1 1 A 53 53 VAL CB C 53 31.343 17.763 13.580 1
1 621 . 15 1 1 A 53 53 VAL N N 53 117.879 129.949 -12.070 1
1 622 . 15 1 1 A 54 54 GLU H H 54 7.966 8.186 -0.220 1
1 623 . 15 1 1 A 54 54 GLU HA H 54 3.865 4.813 -0.948 1
1 628 . 15 1 1 A 54 54 GLU C C 54 178.593 172.867 5.726 1
1 629 . 15 1 1 A 54 54 GLU CA C 54 58.935 54.480 4.455 1
1 630 . 15 1 1 A 54 54 GLU CB C 54 29.772 31.525 -1.753 1
1 632 . 15 1 1 A 54 54 GLU N N 54 119.295 119.235 0.060 1
1 633 . 15 1 1 A 55 55 GLN H H 55 7.651 8.652 -1.001 1
1 634 . 15 1 1 A 55 55 GLN HA H 55 4.005 4.907 -0.902 1
1 641 . 15 1 1 A 55 55 GLN C C 55 177.512 175.131 2.381 1
1 642 . 15 1 1 A 55 55 GLN CA C 55 57.362 52.987 4.375 1
1 643 . 15 1 1 A 55 55 GLN CB C 55 28.938 41.711 -12.773 1
1 645 . 15 1 1 A 55 55 GLN N N 55 116.036 123.178 -7.142 1
1 647 . 15 1 1 A 56 56 MET H H 56 7.691 9.001 -1.310 1
1 648 . 15 1 1 A 56 56 MET HA H 56 4.316 4.936 -0.620 1
1 656 . 15 1 1 A 56 56 MET C C 56 176.572 176.863 -0.291 1
1 657 . 15 1 1 A 56 56 MET CA C 56 56.492 55.794 0.698 1
1 658 . 15 1 1 A 56 56 MET CB C 56 32.901 27.025 5.876 1
1 661 . 15 1 1 A 56 56 MET N N 56 117.664 127.197 -9.533 1
1 662 . 15 1 1 A 57 57 ASN H H 57 7.816 8.690 -0.874 1
1 663 . 15 1 1 A 57 57 ASN HA H 57 4.495 4.463 0.032 1
1 668 . 15 1 1 A 57 57 ASN C C 57 174.613 174.367 0.246 1
1 669 . 15 1 1 A 57 57 ASN CA C 57 53.813 61.539 -7.726 1
1 670 . 15 1 1 A 57 57 ASN CB C 57 37.713 63.638 -25.925 1
1 671 . 15 1 1 A 57 57 ASN N N 57 115.864 120.937 -5.073 1
1 673 . 15 1 1 A 58 58 ILE H H 58 8.391 8.118 0.273 1
1 674 . 15 1 1 A 58 58 ILE HA H 58 4.284 5.144 -0.860 1
1 684 . 15 1 1 A 58 58 ILE C C 58 175.277 174.042 1.235 1
1 685 . 15 1 1 A 58 58 ILE CA C 58 60.631 53.826 6.805 1
1 686 . 15 1 1 A 58 58 ILE CB C 58 41.470 44.269 -2.799 1
1 690 . 15 1 1 A 58 58 ILE N N 58 117.760 119.629 -1.869 1
1 691 . 15 1 1 A 59 59 ALA H H 59 8.438 8.667 -0.229 1
1 692 . 15 1 1 A 59 59 ALA HA H 59 4.535 5.247 -0.712 1
1 696 . 15 1 1 A 59 59 ALA C C 59 175.554 173.352 2.202 1
1 697 . 15 1 1 A 59 59 ALA CA C 59 51.604 56.356 -4.752 1
1 698 . 15 1 1 A 59 59 ALA CB C 59 17.256 41.519 -24.263 1
1 699 . 15 1 1 A 59 59 ALA N N 59 129.371 120.478 8.893 1
1 700 . 15 1 1 A 60 60 GLN H H 60 7.498 8.468 -0.970 1
1 701 . 15 1 1 A 60 60 GLN HA H 60 4.291 5.177 -0.886 1
1 708 . 15 1 1 A 60 60 GLN C C 60 172.908 175.450 -2.542 1
1 709 . 15 1 1 A 60 60 GLN CA C 60 53.492 51.725 1.767 1
1 710 . 15 1 1 A 60 60 GLN CB C 60 30.340 23.477 6.863 1
1 712 . 15 1 1 A 60 60 GLN N N 60 120.550 121.989 -1.439 1
1 714 . 15 1 1 A 61 61 ASP H H 61 8.086 8.827 -0.741 1
1 715 . 15 1 1 A 61 61 ASP HA H 61 4.622 5.320 -0.698 1
1 718 . 15 1 1 A 61 61 ASP C C 61 177.529 175.450 2.079 1
1 719 . 15 1 1 A 61 61 ASP CA C 61 53.520 54.251 -0.731 1
1 720 . 15 1 1 A 61 61 ASP CB C 61 40.493 44.840 -4.347 1
1 721 . 15 1 1 A 61 61 ASP N N 61 118.225 122.842 -4.617 1
1 722 . 15 1 1 A 62 62 TRP H H 62 8.999 9.445 -0.446 1
1 723 . 15 1 1 A 62 62 TRP HA H 62 4.578 5.515 -0.937 1
1 732 . 15 1 1 A 62 62 TRP C C 62 178.609 174.478 4.131 1
1 733 . 15 1 1 A 62 62 TRP CA C 62 57.200 54.551 2.649 1
1 734 . 15 1 1 A 62 62 TRP CB C 62 29.155 32.041 -2.886 1
1 740 . 15 1 1 A 62 62 TRP N N 62 129.134 128.252 0.882 1
1 742 . 15 1 1 A 63 63 SER H H 63 8.756 8.831 -0.075 1
1 743 . 15 1 1 A 63 63 SER HA H 63 4.127 4.849 -0.722 1
1 746 . 15 1 1 A 63 63 SER C C 63 175.119 175.606 -0.487 1
1 747 . 15 1 1 A 63 63 SER CA C 63 62.933 55.861 7.072 1
1 748 . 15 1 1 A 63 63 SER CB C 63 63.120 29.515 33.605 1
1 749 . 15 1 1 A 63 63 SER N N 63 119.231 129.864 -10.633 1
1 750 . 15 1 1 A 64 64 ASP H H 64 9.095 8.965 0.130 1
1 751 . 15 1 1 A 64 64 ASP HA H 64 4.876 4.059 0.817 1
1 754 . 15 1 1 A 64 64 ASP C C 64 177.267 178.004 -0.737 1
1 755 . 15 1 1 A 64 64 ASP CA C 64 54.157 59.587 -5.430 1
1 756 . 15 1 1 A 64 64 ASP CB C 64 43.116 29.681 13.435 1
1 757 . 15 1 1 A 64 64 ASP N N 64 120.137 126.633 -6.496 1
1 758 . 15 1 1 A 65 65 TYR H H 65 7.991 8.228 -0.237 1
1 759 . 15 1 1 A 65 65 TYR HA H 65 4.151 4.141 0.010 1
1 766 . 15 1 1 A 65 65 TYR C C 65 175.746 176.821 -1.075 1
1 767 . 15 1 1 A 65 65 TYR CA C 65 59.053 57.463 1.590 1
1 768 . 15 1 1 A 65 65 TYR CB C 65 38.836 28.393 10.443 1
1 773 . 15 1 1 A 65 65 TYR N N 65 121.458 117.959 3.499 1
1 774 . 15 1 1 A 66 66 ALA H H 66 8.698 6.910 1.788 1
1 775 . 15 1 1 A 66 66 ALA HA H 66 4.794 4.096 0.698 1
1 779 . 15 1 1 A 66 66 ALA C C 66 175.126 175.297 -0.171 1
1 780 . 15 1 1 A 66 66 ALA CA C 66 51.166 54.785 -3.619 1
1 781 . 15 1 1 A 66 66 ALA CB C 66 23.771 33.318 -9.547 1
1 782 . 15 1 1 A 66 66 ALA N N 66 122.944 116.465 6.479 1
1 783 . 15 1 1 A 67 67 LEU H H 67 9.131 7.224 1.907 1
1 784 . 15 1 1 A 67 67 LEU HA H 67 5.498 3.173 2.325 1
1 794 . 15 1 1 A 67 67 LEU C C 67 174.489 173.771 0.718 1
1 795 . 15 1 1 A 67 67 LEU CA C 67 53.987 56.553 -2.566 1
1 796 . 15 1 1 A 67 67 LEU CB C 67 44.080 27.527 16.553 1
1 800 . 15 1 1 A 67 67 LEU N N 67 118.646 116.281 2.365 1
1 801 . 15 1 1 A 68 68 TRP H H 68 9.934 6.316 3.618 1
1 802 . 15 1 1 A 68 68 TRP HA H 68 4.680 4.927 -0.247 1
1 811 . 15 1 1 A 68 68 TRP C C 68 174.148 172.660 1.488 1
1 812 . 15 1 1 A 68 68 TRP CA C 68 55.276 57.638 -2.362 1
1 813 . 15 1 1 A 68 68 TRP CB C 68 30.222 32.156 -1.934 1
1 819 . 15 1 1 A 68 68 TRP N N 68 126.978 115.677 11.301 1
1 821 . 15 1 1 A 69 69 TRP H H 69 8.507 9.022 -0.515 1
1 822 . 15 1 1 A 69 69 TRP HA H 69 5.060 5.505 -0.445 1
1 831 . 15 1 1 A 69 69 TRP C C 69 175.837 175.979 -0.142 1
1 832 . 15 1 1 A 69 69 TRP CA C 69 52.520 56.244 -3.724 1
1 833 . 15 1 1 A 69 69 TRP CB C 69 30.500 31.405 -0.905 1
1 839 . 15 1 1 A 69 69 TRP N N 69 129.756 123.505 6.251 1
1 841 . 15 1 1 A 70 70 GLU H H 70 8.917 9.677 -0.760 1
1 842 . 15 1 1 A 70 70 GLU HA H 70 3.817 4.585 -0.768 1
1 847 . 15 1 1 A 70 70 GLU C C 70 179.449 176.815 2.634 1
1 848 . 15 1 1 A 70 70 GLU CA C 70 60.208 54.500 5.708 1
1 849 . 15 1 1 A 70 70 GLU CB C 70 29.937 40.887 -10.950 1
1 851 . 15 1 1 A 70 70 GLU N N 70 126.517 126.404 0.113 1
1 852 . 15 1 1 A 71 71 GLN H H 71 8.515 8.546 -0.031 1
1 853 . 15 1 1 A 71 71 GLN HA H 71 3.782 4.815 -1.033 1
1 860 . 15 1 1 A 71 71 GLN C C 71 177.266 176.875 0.391 1
1 861 . 15 1 1 A 71 71 GLN CA C 71 61.006 54.292 6.714 1
1 862 . 15 1 1 A 71 71 GLN CB C 71 27.451 43.075 -15.624 1
1 864 . 15 1 1 A 71 71 GLN N N 71 114.822 125.804 -10.982 1
1 866 . 15 1 1 A 72 72 LYS H H 72 5.086 7.405 -2.319 1
1 867 . 15 1 1 A 72 72 LYS HA H 72 3.719 4.585 -0.866 1
1 876 . 15 1 1 A 72 72 LYS C C 72 174.268 177.545 -3.277 1
1 877 . 15 1 1 A 72 72 LYS CA C 72 53.864 54.732 -0.868 1
1 878 . 15 1 1 A 72 72 LYS CB C 72 33.242 29.940 3.302 1
1 882 . 15 1 1 A 72 72 LYS N N 72 112.499 120.343 -7.844 1
1 883 . 15 1 1 A 73 73 ARG H H 73 7.402 8.070 -0.668 1
1 884 . 15 1 1 A 73 73 ARG HA H 73 2.800 4.293 -1.493 1
1 892 . 15 1 1 A 73 73 ARG C C 73 173.935 176.288 -2.353 1
1 893 . 15 1 1 A 73 73 ARG CA C 73 56.187 64.780 -8.593 1
1 894 . 15 1 1 A 73 73 ARG CB C 73 26.602 69.088 -42.486 1
1 897 . 15 1 1 A 73 73 ARG N N 73 118.477 114.194 4.283 1
1 899 . 15 1 1 A 74 74 CYS H H 74 6.242 7.913 -1.671 1
1 900 . 15 1 1 A 74 74 CYS HA H 74 4.671 4.405 0.266 1
1 903 . 15 1 1 A 74 74 CYS C C 74 171.332 175.539 -4.207 1
1 904 . 15 1 1 A 74 74 CYS CA C 74 54.443 57.528 -3.085 1
1 905 . 15 1 1 A 74 74 CYS CB C 74 31.599 30.515 1.084 1
1 906 . 15 1 1 A 74 74 CYS N N 74 110.705 121.393 -10.688 1
1 907 . 15 1 1 A 75 75 TRP H H 75 8.567 8.128 0.439 1
1 908 . 15 1 1 A 75 75 TRP HA H 75 5.414 4.944 0.470 1
1 917 . 15 1 1 A 75 75 TRP C C 75 177.638 176.388 1.250 1
1 918 . 15 1 1 A 75 75 TRP CA C 75 55.720 56.217 -0.497 1
1 919 . 15 1 1 A 75 75 TRP CB C 75 30.966 31.691 -0.725 1
1 925 . 15 1 1 A 75 75 TRP N N 75 120.876 119.400 1.476 1
1 927 . 15 1 1 A 76 76 LEU H H 76 9.181 8.878 0.303 1
1 928 . 15 1 1 A 76 76 LEU HA H 76 4.737 4.840 -0.103 1
1 938 . 15 1 1 A 76 76 LEU C C 76 175.745 176.444 -0.699 1
1 939 . 15 1 1 A 76 76 LEU CA C 76 53.729 60.169 -6.440 1
1 940 . 15 1 1 A 76 76 LEU CB C 76 40.810 71.853 -31.043 1
1 944 . 15 1 1 A 76 76 LEU N N 76 125.488 114.729 10.759 1
1 945 . 15 1 1 A 77 77 LEU H H 77 7.711 9.056 -1.345 1
1 946 . 15 1 1 A 77 77 LEU HA H 77 4.416 4.057 0.359 1
1 956 . 15 1 1 A 77 77 LEU C C 77 178.257 178.953 -0.696 1
1 957 . 15 1 1 A 77 77 LEU CA C 77 54.539 58.478 -3.939 1
1 958 . 15 1 1 A 77 77 LEU CB C 77 42.566 41.640 0.926 1
1 962 . 15 1 1 A 77 77 LEU N N 77 119.493 122.865 -3.372 1
1 963 . 15 1 1 A 78 78 LYS H H 78 8.173 8.419 -0.246 1
1 964 . 15 1 1 A 78 78 LYS HA H 78 4.380 4.412 -0.032 1
1 973 . 15 1 1 A 78 78 LYS C C 78 177.029 178.580 -1.551 1
1 974 . 15 1 1 A 78 78 LYS CA C 78 54.048 57.923 -3.875 1
1 975 . 15 1 1 A 78 78 LYS CB C 78 28.755 41.157 -12.402 1
1 979 . 15 1 1 A 78 78 LYS N N 78 121.730 118.827 2.903 1
1 980 . 15 1 1 A 79 79 THR H H 79 7.812 7.749 0.063 1
1 981 . 15 1 1 A 79 79 THR HA H 79 3.677 4.006 -0.329 1
1 986 . 15 1 1 A 79 79 THR C C 79 175.193 179.025 -3.832 1
1 987 . 15 1 1 A 79 79 THR CA C 79 64.890 59.080 5.810 1
1 988 . 15 1 1 A 79 79 THR CB C 79 68.447 31.972 36.475 1
1 990 . 15 1 1 A 79 79 THR N N 79 114.142 118.701 -4.559 1
1 991 . 15 1 1 A 80 80 HIS H H 80 8.929 8.036 0.893 1
1 992 . 15 1 1 A 80 80 HIS HA H 80 4.759 4.837 -0.078 1
1 995 . 15 1 1 A 80 80 HIS C C 80 175.622 175.129 0.493 1
1 996 . 15 1 1 A 80 80 HIS CA C 80 56.078 60.014 -3.936 1
1 997 . 15 1 1 A 80 80 HIS CB C 80 29.927 28.042 1.885 1
1 998 . 15 1 1 A 80 80 HIS N N 80 117.372 115.436 1.936 1
1 999 . 15 1 1 A 81 81 TRP H H 81 8.544 8.320 0.224 1
1 1009 . 15 1 1 A 81 81 TRP C C 81 175.952 174.530 1.422 1
1 1010 . 15 1 1 A 81 81 TRP CA C 81 56.009 45.117 10.892 1
1 1017 . 15 1 1 A 81 81 TRP N N 81 122.512 108.533 13.979 1
1 1019 . 15 1 1 A 82 82 THR H H 82 7.587 7.806 -0.219 1
1 1020 . 15 1 1 A 82 82 THR HA H 82 4.725 3.937 0.788 1
1 1025 . 15 1 1 A 82 82 THR C C 82 176.305 174.715 1.590 1
1 1026 . 15 1 1 A 82 82 THR CA C 82 60.250 61.474 -1.224 1
1 1027 . 15 1 1 A 82 82 THR CB C 82 70.601 31.373 39.228 1
1 1029 . 15 1 1 A 82 82 THR N N 82 109.728 122.259 -12.531 1
1 1030 . 15 1 1 A 83 83 LEU H H 83 8.354 8.654 -0.300 1
1 1031 . 15 1 1 A 83 83 LEU HA H 83 3.798 4.110 -0.312 1
1 1040 . 15 1 1 A 83 83 LEU C C 83 179.461 176.450 3.011 1
1 1041 . 15 1 1 A 83 83 LEU CA C 83 59.442 53.685 5.757 1
1 1042 . 15 1 1 A 83 83 LEU CB C 83 40.758 31.030 9.728 1
1 1045 . 15 1 1 A 83 83 LEU N N 83 122.120 127.913 -5.793 1
1 1046 . 15 1 1 A 84 84 ASP H H 84 8.985 7.834 1.151 1
1 1047 . 15 1 1 A 84 84 ASP HA H 84 4.427 3.988 0.439 1
1 1050 . 15 1 1 A 84 84 ASP C C 84 179.464 177.726 1.738 1
1 1051 . 15 1 1 A 84 84 ASP CA C 84 57.459 54.568 2.891 1
1 1052 . 15 1 1 A 84 84 ASP CB C 84 40.243 18.221 22.022 1
1 1053 . 15 1 1 A 84 84 ASP N N 84 118.020 122.099 -4.079 1
1 1054 . 15 1 1 A 85 85 LYS H H 85 8.134 8.132 0.002 1
1 1055 . 15 1 1 A 85 85 LYS HA H 85 3.820 4.622 -0.802 1
1 1064 . 15 1 1 A 85 85 LYS C C 85 178.824 175.939 2.885 1
1 1065 . 15 1 1 A 85 85 LYS CA C 85 59.103 53.294 5.809 1
1 1066 . 15 1 1 A 85 85 LYS CB C 85 32.229 39.966 -7.737 1
1 1070 . 15 1 1 A 85 85 LYS N N 85 123.380 113.953 9.427 1
1 1071 . 15 1 1 A 86 86 CYS H H 86 8.083 7.235 0.848 1
1 1072 . 15 1 1 A 86 86 CYS HA H 86 4.439 4.527 -0.088 1
1 1075 . 15 1 1 A 86 86 CYS C C 86 174.621 177.177 -2.556 1
1 1076 . 15 1 1 A 86 86 CYS CA C 86 61.800 51.193 10.607 1
1 1077 . 15 1 1 A 86 86 CYS CB C 86 28.700 20.249 8.451 1
1 1078 . 15 1 1 A 86 86 CYS N N 86 113.734 123.308 -9.574 1
1 1079 . 15 1 1 A 87 87 GLY H H 87 7.904 8.838 -0.934 1
1 1082 . 15 1 1 A 87 87 GLY C C 87 174.471 174.587 -0.116 1
1 1083 . 15 1 1 A 87 87 GLY CA C 87 45.434 53.476 -8.042 1
1 1084 . 15 1 1 A 87 87 GLY N N 87 107.243 120.991 -13.748 1
1 1085 . 15 1 1 A 88 88 VAL H H 88 7.635 8.996 -1.361 1
1 1086 . 15 1 1 A 88 88 VAL HA H 88 3.165 5.377 -2.212 1
1 1094 . 15 1 1 A 88 88 VAL C C 88 173.926 174.352 -0.426 1
1 1095 . 15 1 1 A 88 88 VAL CA C 88 63.281 53.392 9.889 1
1 1096 . 15 1 1 A 88 88 VAL CB C 88 31.892 46.497 -14.605 1
1 1099 . 15 1 1 A 88 88 VAL N N 88 122.351 127.382 -5.031 1
1 1100 . 15 1 1 A 89 89 GLN H H 89 7.651 9.397 -1.746 1
1 1101 . 15 1 1 A 89 89 GLN HA H 89 3.946 5.802 -1.856 1
1 1108 . 15 1 1 A 89 89 GLN C C 89 175.629 174.359 1.270 1
1 1109 . 15 1 1 A 89 89 GLN CA C 89 53.861 52.732 1.129 1
1 1110 . 15 1 1 A 89 89 GLN CB C 89 31.010 46.723 -15.713 1
1 1112 . 15 1 1 A 89 89 GLN N N 89 125.820 126.538 -0.718 1
1 1114 . 15 1 1 A 90 90 ALA H H 90 7.025 9.487 -2.462 1
1 1115 . 15 1 1 A 90 90 ALA HA H 90 3.873 5.608 -1.735 1
1 1119 . 15 1 1 A 90 90 ALA C C 90 177.042 173.900 3.142 1
1 1120 . 15 1 1 A 90 90 ALA CA C 90 54.869 55.383 -0.514 1
1 1121 . 15 1 1 A 90 90 ALA CB C 90 18.818 42.097 -23.279 1
1 1122 . 15 1 1 A 90 90 ALA N N 90 118.713 127.226 -8.513 1
1 1123 . 15 1 1 A 91 91 ASP H H 91 8.310 8.921 -0.611 1
1 1124 . 15 1 1 A 91 91 ASP HA H 91 4.415 4.788 -0.373 1
1 1127 . 15 1 1 A 91 91 ASP C C 91 176.371 171.548 4.823 1
1 1128 . 15 1 1 A 91 91 ASP CA C 91 53.133 58.159 -5.026 1
1 1129 . 15 1 1 A 91 91 ASP CB C 91 39.673 72.678 -33.005 1
1 1130 . 15 1 1 A 91 91 ASP N N 91 113.050 121.575 -8.525 1
1 1132 . 15 1 1 A 92 92 ALA HA H 92 4.237 4.619 -0.382 1
1 1136 . 15 1 1 A 92 92 ALA C C 92 176.536 176.595 -0.059 1
1 1137 . 15 1 1 A 92 92 ALA CA C 92 53.721 62.977 -9.256 1
1 1138 . 15 1 1 A 92 92 ALA CB C 92 19.774 32.368 -12.594 1
1 1139 . 15 1 1 A 92 92 ALA N N 92 124.114 140.366 -16.252 1
1 1140 . 15 1 1 A 93 93 ASN H H 93 9.478 8.652 0.826 1
1 1141 . 15 1 1 A 93 93 ASN HA H 93 5.141 4.100 1.041 1
1 1146 . 15 1 1 A 93 93 ASN C C 93 173.906 175.351 -1.445 1
1 1147 . 15 1 1 A 93 93 ASN CA C 93 52.433 55.535 -3.102 1
1 1148 . 15 1 1 A 93 93 ASN CB C 93 38.547 29.198 9.349 1
1 1149 . 15 1 1 A 93 93 ASN N N 93 123.235 118.021 5.214 1
1 1151 . 15 1 1 A 94 94 LEU H H 94 8.675 7.844 0.831 1
1 1152 . 15 1 1 A 94 94 LEU HA H 94 5.429 4.853 0.576 1
1 1162 . 15 1 1 A 94 94 LEU C C 94 175.486 173.124 2.362 1
1 1163 . 15 1 1 A 94 94 LEU CA C 94 53.003 55.258 -2.255 1
1 1164 . 15 1 1 A 94 94 LEU CB C 94 44.739 32.543 12.196 1
1 1168 . 15 1 1 A 94 94 LEU N N 94 122.901 118.946 3.955 1
1 1169 . 15 1 1 A 95 95 LEU H H 95 9.412 8.362 1.050 1
1 1170 . 15 1 1 A 95 95 LEU HA H 95 5.388 4.334 1.054 1
1 1180 . 15 1 1 A 95 95 LEU C C 95 174.403 176.131 -1.728 1
1 1181 . 15 1 1 A 95 95 LEU CA C 95 53.155 56.483 -3.328 1
1 1182 . 15 1 1 A 95 95 LEU CB C 95 46.432 32.383 14.049 1
1 1186 . 15 1 1 A 95 95 LEU N N 95 126.034 129.031 -2.997 1
1 3 . 16 1 1 A 1 1 GLY C C 1 173.950 176.178 -2.228 1
1 4 . 16 1 1 A 1 1 GLY CA C 1 45.289 54.144 -8.855 1
1 5 . 16 1 1 A 2 2 ILE H H 2 8.026 8.771 -0.745 1
1 6 . 16 1 1 A 2 2 ILE HA H 2 4.518 4.059 0.459 1
1 16 . 16 1 1 A 2 2 ILE CA C 2 54.315 57.021 -2.706 1
1 17 . 16 1 1 A 2 2 ILE CB C 2 41.381 40.693 0.688 1
1 21 . 16 1 1 A 2 2 ILE N N 2 120.237 121.159 -0.922 1
1 22 . 16 1 1 A 3 3 ASP H H 3 8.212 8.499 -0.287 1
1 25 . 16 1 1 A 3 3 ASP CB C 3 41.116 65.702 -24.586 1
1 26 . 16 1 1 A 3 3 ASP N N 3 126.816 117.830 8.986 1
1 27 . 16 1 1 A 4 4 PRO HA H 4 3.818 4.490 -0.672 1
1 28 . 16 1 1 A 4 4 PRO C C 4 176.930 175.352 1.578 1
1 29 . 16 1 1 A 4 4 PRO CA C 4 63.589 59.931 3.658 1
1 30 . 16 1 1 A 5 5 PHE H H 5 8.214 7.870 0.344 1
1 33 . 16 1 1 A 5 5 PHE C C 5 176.204 173.668 2.536 1
1 34 . 16 1 1 A 5 5 PHE CA C 5 58.089 47.311 10.778 1
1 36 . 16 1 1 A 5 5 PHE N N 5 118.317 108.244 10.073 1
1 37 . 16 1 1 A 6 6 THR H H 6 7.789 8.662 -0.873 1
1 38 . 16 1 1 A 6 6 THR HA H 6 4.268 4.610 -0.342 1
1 43 . 16 1 1 A 6 6 THR C C 6 174.096 176.623 -2.527 1
1 44 . 16 1 1 A 6 6 THR CA C 6 62.228 55.009 7.219 1
1 45 . 16 1 1 A 6 6 THR CB C 6 69.842 40.563 29.279 1
1 47 . 16 1 1 A 6 6 THR N N 6 114.242 125.503 -11.261 1
1 48 . 16 1 1 A 7 7 MET H H 7 8.077 8.863 -0.786 1
1 49 . 16 1 1 A 7 7 MET HA H 7 4.721 4.167 0.554 1
1 50 . 16 1 1 A 7 7 MET CA C 7 55.836 57.174 -1.338 1
1 51 . 16 1 1 A 7 7 MET N N 7 121.684 123.893 -2.209 1
1 52 . 16 1 1 A 8 8 LEU H H 8 8.043 7.755 0.288 1
1 53 . 16 1 1 A 8 8 LEU HA H 8 4.322 4.516 -0.194 1
1 60 . 16 1 1 A 8 8 LEU CA C 8 55.142 61.002 -5.860 1
1 63 . 16 1 1 A 8 8 LEU N N 8 122.622 114.049 8.573 1
1 64 . 16 1 1 A 9 9 SER H H 9 8.263 8.837 -0.574 1
1 65 . 16 1 1 A 9 9 SER HA H 9 4.318 5.048 -0.730 1
1 68 . 16 1 1 A 9 9 SER CA C 9 58.256 57.294 0.962 1
1 69 . 16 1 1 A 9 9 SER CB C 9 63.851 63.982 -0.131 1
1 70 . 16 1 1 A 9 9 SER N N 9 116.455 121.605 -5.150 1
1 71 . 16 1 1 A 10 10 SER H H 10 8.268 8.608 -0.340 1
1 72 . 16 1 1 A 10 10 SER HA H 10 4.418 4.531 -0.113 1
1 75 . 16 1 1 A 10 10 SER C C 10 175.142 176.815 -1.673 1
1 76 . 16 1 1 A 10 10 SER CA C 10 58.684 51.950 6.734 1
1 77 . 16 1 1 A 10 10 SER CB C 10 63.935 18.599 45.336 1
1 78 . 16 1 1 A 10 10 SER N N 10 117.758 129.097 -11.339 1
1 79 . 16 1 1 A 11 11 GLY H H 11 8.300 8.414 -0.114 1
1 82 . 16 1 1 A 11 11 GLY C C 11 176.844 173.370 3.474 1
1 83 . 16 1 1 A 11 11 GLY CA C 11 45.340 56.509 -11.169 1
1 84 . 16 1 1 A 11 11 GLY N N 11 110.621 116.993 -6.372 1
1 85 . 16 1 1 A 12 12 ASP H H 12 8.095 8.259 -0.164 1
1 86 . 16 1 1 A 12 12 ASP HA H 12 4.520 5.747 -1.227 1
1 89 . 16 1 1 A 12 12 ASP C C 12 176.422 173.959 2.463 1
1 90 . 16 1 1 A 12 12 ASP CA C 12 54.331 54.636 -0.305 1
1 91 . 16 1 1 A 12 12 ASP CB C 12 41.101 33.126 7.975 1
1 92 . 16 1 1 A 12 12 ASP N N 12 120.276 120.445 -0.169 1
1 93 . 16 1 1 A 13 13 LEU H H 13 8.259 8.948 -0.689 1
1 94 . 16 1 1 A 13 13 LEU HA H 13 4.326 4.769 -0.443 1
1 104 . 16 1 1 A 13 13 LEU C C 13 177.829 175.190 2.639 1
1 105 . 16 1 1 A 13 13 LEU CA C 13 55.426 56.385 -0.959 1
1 106 . 16 1 1 A 13 13 LEU CB C 13 42.043 30.192 11.851 1
1 110 . 16 1 1 A 13 13 LEU N N 13 122.645 120.194 2.451 1
1 111 . 16 1 1 A 14 14 THR H H 14 8.134 9.549 -1.415 1
1 112 . 16 1 1 A 14 14 THR HA H 14 4.265 5.142 -0.877 1
1 117 . 16 1 1 A 14 14 THR C C 14 174.821 175.106 -0.285 1
1 118 . 16 1 1 A 14 14 THR CA C 14 62.228 53.835 8.393 1
1 119 . 16 1 1 A 14 14 THR CB C 14 69.762 44.261 25.501 1
1 121 . 16 1 1 A 14 14 THR N N 14 114.338 127.980 -13.642 1
1 122 . 16 1 1 A 15 15 SER H H 15 8.181 8.865 -0.684 1
1 123 . 16 1 1 A 15 15 SER HA H 15 4.429 4.896 -0.467 1
1 126 . 16 1 1 A 15 15 SER C C 15 174.213 174.139 0.074 1
1 127 . 16 1 1 A 15 15 SER CA C 15 58.321 61.604 -3.283 1
1 128 . 16 1 1 A 15 15 SER CB C 15 63.826 32.638 31.188 1
1 129 . 16 1 1 A 15 15 SER N N 15 117.846 127.299 -9.453 1
1 130 . 16 1 1 A 16 16 ALA H H 16 8.284 9.623 -1.339 1
1 131 . 16 1 1 A 16 16 ALA HA H 16 4.395 4.805 -0.410 1
1 135 . 16 1 1 A 16 16 ALA C C 16 177.160 175.174 1.986 1
1 136 . 16 1 1 A 16 16 ALA CA C 16 52.623 61.029 -8.406 1
1 137 . 16 1 1 A 16 16 ALA CB C 16 19.390 34.196 -14.806 1
1 138 . 16 1 1 A 16 16 ALA N N 16 126.207 130.419 -4.212 1
1 139 . 16 1 1 A 17 17 SER H H 17 8.035 9.087 -1.052 1
1 140 . 16 1 1 A 17 17 SER HA H 17 4.891 4.982 -0.091 1
1 143 . 16 1 1 A 17 17 SER C C 17 173.472 175.158 -1.686 1
1 144 . 16 1 1 A 17 17 SER CA C 17 57.547 56.086 1.461 1
1 145 . 16 1 1 A 17 17 SER CB C 17 65.420 30.912 34.508 1
1 146 . 16 1 1 A 17 17 SER N N 17 114.521 127.734 -13.213 1
1 147 . 16 1 1 A 18 18 TRP H H 18 8.523 9.292 -0.769 1
1 148 . 16 1 1 A 18 18 TRP HA H 18 4.787 4.684 0.103 1
1 157 . 16 1 1 A 18 18 TRP C C 18 173.910 174.318 -0.408 1
1 158 . 16 1 1 A 18 18 TRP CA C 18 55.331 62.319 -6.988 1
1 159 . 16 1 1 A 18 18 TRP CB C 18 30.044 32.504 -2.460 1
1 165 . 16 1 1 A 18 18 TRP N N 18 120.348 126.163 -5.815 1
1 167 . 16 1 1 A 19 19 GLU H H 19 8.542 9.438 -0.896 1
1 168 . 16 1 1 A 19 19 GLU HA H 19 4.957 5.252 -0.295 1
1 173 . 16 1 1 A 19 19 GLU C C 19 175.089 174.506 0.583 1
1 174 . 16 1 1 A 19 19 GLU CA C 19 55.735 52.408 3.327 1
1 175 . 16 1 1 A 19 19 GLU CB C 19 31.683 42.441 -10.758 1
1 177 . 16 1 1 A 19 19 GLU N N 19 117.964 128.242 -10.278 1
1 178 . 16 1 1 A 20 20 LEU H H 20 8.813 8.744 0.069 1
1 179 . 16 1 1 A 20 20 LEU HA H 20 4.794 4.917 -0.123 1
1 189 . 16 1 1 A 20 20 LEU C C 20 174.656 174.463 0.193 1
1 190 . 16 1 1 A 20 20 LEU CA C 20 53.195 55.189 -1.994 1
1 191 . 16 1 1 A 20 20 LEU CB C 20 46.182 31.259 14.923 1
1 195 . 16 1 1 A 20 20 LEU N N 20 125.925 125.855 0.070 1
1 196 . 16 1 1 A 21 21 VAL H H 21 8.827 8.521 0.306 1
1 197 . 16 1 1 A 21 21 VAL HA H 21 4.499 4.177 0.322 1
1 205 . 16 1 1 A 21 21 VAL C C 21 176.157 177.075 -0.918 1
1 206 . 16 1 1 A 21 21 VAL CA C 21 62.260 52.102 10.158 1
1 207 . 16 1 1 A 21 21 VAL CB C 21 31.627 18.101 13.526 1
1 210 . 16 1 1 A 21 21 VAL N N 21 127.297 127.190 0.107 1
1 211 . 16 1 1 A 22 22 VAL H H 22 9.178 8.307 0.871 1
1 212 . 16 1 1 A 22 22 VAL HA H 22 4.348 4.919 -0.571 1
1 220 . 16 1 1 A 22 22 VAL C C 22 175.253 174.788 0.465 1
1 221 . 16 1 1 A 22 22 VAL CA C 22 60.925 54.488 6.437 1
1 222 . 16 1 1 A 22 22 VAL CB C 22 34.352 41.313 -6.961 1
1 225 . 16 1 1 A 22 22 VAL N N 22 129.937 124.413 5.524 1
1 226 . 16 1 1 A 23 23 ARG H H 23 8.104 6.902 1.202 1
1 235 . 16 1 1 A 23 23 ARG C C 23 174.950 174.232 0.718 1
1 236 . 16 1 1 A 23 23 ARG CA C 23 55.516 45.541 9.975 1
1 240 . 16 1 1 A 23 23 ARG N N 23 125.848 106.470 19.378 1
1 242 . 16 1 1 A 24 24 VAL H H 24 9.325 8.505 0.820 1
1 243 . 16 1 1 A 24 24 VAL HA H 24 5.011 3.985 1.026 1
1 251 . 16 1 1 A 24 24 VAL C C 24 175.449 175.107 0.342 1
1 252 . 16 1 1 A 24 24 VAL CA C 24 61.634 57.221 4.413 1
1 253 . 16 1 1 A 24 24 VAL CB C 24 33.928 28.320 5.608 1
1 256 . 16 1 1 A 24 24 VAL N N 24 124.136 113.054 11.082 1
1 257 . 16 1 1 A 25 25 ASP H H 25 8.414 8.076 0.338 1
1 258 . 16 1 1 A 25 25 ASP HA H 25 5.220 4.881 0.339 1
1 261 . 16 1 1 A 25 25 ASP C C 25 176.671 174.645 2.026 1
1 262 . 16 1 1 A 25 25 ASP CA C 25 52.956 54.557 -1.601 1
1 263 . 16 1 1 A 25 25 ASP CB C 25 43.473 31.880 11.593 1
1 264 . 16 1 1 A 25 25 ASP N N 25 126.172 119.493 6.679 1
1 265 . 16 1 1 A 26 26 HIS H H 26 9.152 9.126 0.026 1
1 266 . 16 1 1 A 26 26 HIS HA H 26 4.542 5.014 -0.472 1
1 271 . 16 1 1 A 26 26 HIS C C 26 174.917 175.064 -0.147 1
1 272 . 16 1 1 A 26 26 HIS CA C 26 56.700 54.957 1.743 1
1 273 . 16 1 1 A 26 26 HIS CB C 26 30.185 29.554 0.631 1
1 276 . 16 1 1 A 26 26 HIS N N 26 124.402 124.063 0.339 1
1 277 . 16 1 1 A 27 27 ALA H H 27 9.121 9.081 0.040 1
1 278 . 16 1 1 A 27 27 ALA HA H 27 3.984 4.904 -0.920 1
1 282 . 16 1 1 A 27 27 ALA C C 27 176.927 173.714 3.213 1
1 283 . 16 1 1 A 27 27 ALA CA C 27 53.240 62.194 -8.954 1
1 284 . 16 1 1 A 27 27 ALA CB C 27 17.122 69.837 -52.715 1
1 285 . 16 1 1 A 27 27 ALA N N 27 121.895 121.596 0.299 1
1 286 . 16 1 1 A 28 28 ASN H H 28 8.140 9.027 -0.887 1
1 287 . 16 1 1 A 28 28 ASN HA H 28 4.628 4.817 -0.189 1
1 292 . 16 1 1 A 28 28 ASN C C 28 176.389 175.203 1.186 1
1 293 . 16 1 1 A 28 28 ASN CA C 28 52.466 55.785 -3.319 1
1 294 . 16 1 1 A 28 28 ASN CB C 28 38.624 29.946 8.678 1
1 295 . 16 1 1 A 28 28 ASN N N 28 114.287 126.844 -12.557 1
1 297 . 16 1 1 A 29 29 GLY H H 29 8.254 9.036 -0.782 1
1 300 . 16 1 1 A 29 29 GLY C C 29 174.848 175.145 -0.297 1
1 301 . 16 1 1 A 29 29 GLY CA C 29 45.354 59.938 -14.584 1
1 302 . 16 1 1 A 29 29 GLY N N 29 108.650 126.434 -17.784 1
1 303 . 16 1 1 A 30 30 GLU H H 30 7.860 9.044 -1.184 1
1 304 . 16 1 1 A 30 30 GLU HA H 30 4.267 4.914 -0.647 1
1 309 . 16 1 1 A 30 30 GLU C C 30 176.802 174.040 2.762 1
1 310 . 16 1 1 A 30 30 GLU CA C 30 56.348 61.984 -5.636 1
1 311 . 16 1 1 A 30 30 GLU CB C 30 30.460 69.028 -38.568 1
1 313 . 16 1 1 A 30 30 GLU N N 30 119.375 123.378 -4.003 1
1 314 . 16 1 1 A 31 31 GLN H H 31 8.280 9.102 -0.822 1
1 315 . 16 1 1 A 31 31 GLN HA H 31 4.222 5.001 -0.779 1
1 322 . 16 1 1 A 31 31 GLN C C 31 175.995 175.506 0.489 1
1 323 . 16 1 1 A 31 31 GLN CA C 31 55.917 53.144 2.773 1
1 324 . 16 1 1 A 31 31 GLN CB C 31 30.002 44.259 -14.257 1
1 326 . 16 1 1 A 31 31 GLN N N 31 120.036 127.621 -7.585 1
1 328 . 16 1 1 A 32 32 GLN H H 32 7.520 8.859 -1.339 1
1 329 . 16 1 1 A 32 32 GLN HA H 32 4.905 4.952 -0.047 1
1 336 . 16 1 1 A 32 32 GLN C C 32 176.112 175.775 0.337 1
1 337 . 16 1 1 A 32 32 GLN CA C 32 56.211 55.454 0.757 1
1 338 . 16 1 1 A 32 32 GLN CB C 32 30.863 31.182 -0.319 1
1 340 . 16 1 1 A 32 32 GLN N N 32 123.146 124.600 -1.454 1
1 342 . 16 1 1 A 33 33 THR H H 33 8.533 8.732 -0.199 1
1 343 . 16 1 1 A 33 33 THR HA H 33 4.621 4.848 -0.227 1
1 348 . 16 1 1 A 33 33 THR C C 33 173.112 174.141 -1.029 1
1 349 . 16 1 1 A 33 33 THR CA C 33 61.506 58.858 2.648 1
1 350 . 16 1 1 A 33 33 THR CB C 33 71.605 34.935 36.670 1
1 352 . 16 1 1 A 33 33 THR N N 33 118.233 120.794 -2.561 1
1 353 . 16 1 1 A 34 34 GLU H H 34 8.711 8.143 0.568 1
1 354 . 16 1 1 A 34 34 GLU HA H 34 4.939 4.897 0.042 1
1 359 . 16 1 1 A 34 34 GLU C C 34 175.108 176.040 -0.932 1
1 360 . 16 1 1 A 34 34 GLU CA C 34 55.553 55.925 -0.372 1
1 361 . 16 1 1 A 34 34 GLU CB C 34 31.950 66.096 -34.146 1
1 363 . 16 1 1 A 34 34 GLU N N 34 124.692 115.896 8.796 1
1 364 . 16 1 1 A 35 35 ILE H H 35 9.115 8.880 0.235 1
1 375 . 16 1 1 A 35 35 ILE C C 35 174.282 174.493 -0.211 1
1 376 . 16 1 1 A 35 35 ILE CA C 35 59.057 47.360 11.697 1
1 381 . 16 1 1 A 35 35 ILE N N 35 127.113 108.925 18.188 1
1 382 . 16 1 1 A 36 36 THR H H 36 8.545 7.922 0.623 1
1 383 . 16 1 1 A 36 36 THR HA H 36 4.772 4.768 0.004 1
1 388 . 16 1 1 A 36 36 THR C C 36 174.054 175.755 -1.701 1
1 389 . 16 1 1 A 36 36 THR CA C 36 62.257 54.365 7.892 1
1 390 . 16 1 1 A 36 36 THR CB C 36 68.948 41.257 27.691 1
1 392 . 16 1 1 A 36 36 THR N N 36 123.057 118.790 4.267 1
1 393 . 16 1 1 A 37 37 LEU H H 37 9.161 7.178 1.983 1
1 394 . 16 1 1 A 37 37 LEU HA H 37 4.503 4.621 -0.118 1
1 404 . 16 1 1 A 37 37 LEU C C 37 175.047 176.298 -1.251 1
1 405 . 16 1 1 A 37 37 LEU CA C 37 52.646 53.752 -1.106 1
1 406 . 16 1 1 A 37 37 LEU CB C 37 45.951 43.599 2.352 1
1 410 . 16 1 1 A 37 37 LEU N N 37 128.195 122.698 5.497 1
1 411 . 16 1 1 A 38 38 ARG H H 38 8.258 8.726 -0.468 1
1 412 . 16 1 1 A 38 38 ARG HA H 38 4.556 5.094 -0.538 1
1 420 . 16 1 1 A 38 38 ARG C C 38 175.726 176.419 -0.693 1
1 421 . 16 1 1 A 38 38 ARG CA C 38 55.701 55.287 0.414 1
1 422 . 16 1 1 A 38 38 ARG CB C 38 29.601 31.491 -1.890 1
1 425 . 16 1 1 A 38 38 ARG N N 38 122.992 121.540 1.452 1
1 427 . 16 1 1 A 39 39 VAL H H 39 8.635 9.198 -0.563 1
1 428 . 16 1 1 A 39 39 VAL HA H 39 4.358 3.570 0.788 1
1 436 . 16 1 1 A 39 39 VAL C C 39 172.241 178.342 -6.101 1
1 437 . 16 1 1 A 39 39 VAL CA C 39 58.334 65.204 -6.870 1
1 438 . 16 1 1 A 39 39 VAL CB C 39 35.214 37.826 -2.612 1
1 441 . 16 1 1 A 39 39 VAL N N 39 118.388 120.952 -2.564 1
1 442 . 16 1 1 A 40 40 SER H H 40 6.388 8.442 -2.054 1
1 446 . 16 1 1 A 40 40 SER C C 40 175.046 176.037 -0.991 1
1 447 . 16 1 1 A 40 40 SER CA C 40 56.216 47.415 8.801 1
1 449 . 16 1 1 A 40 40 SER N N 40 108.799 108.918 -0.119 1
1 450 . 16 1 1 A 41 41 GLY H H 41 9.085 7.941 1.144 1
1 451 . 16 1 1 A 41 41 GLY HA2 H 41 3.850 3.517 0.333 1
1 452 . 16 1 1 A 41 41 GLY HA3 H 41 4.321 3.794 0.527 1
1 453 . 16 1 1 A 41 41 GLY C C 41 173.137 175.068 -1.931 1
1 454 . 16 1 1 A 41 41 GLY CA C 41 47.346 45.333 2.013 1
1 455 . 16 1 1 A 41 41 GLY N N 41 107.767 109.142 -1.375 1
1 456 . 16 1 1 A 42 42 ASP H H 42 7.994 7.612 0.382 1
1 457 . 16 1 1 A 42 42 ASP HA H 42 4.498 3.695 0.803 1
1 460 . 16 1 1 A 42 42 ASP C C 42 175.609 177.782 -2.173 1
1 461 . 16 1 1 A 42 42 ASP CA C 42 53.241 65.462 -12.221 1
1 462 . 16 1 1 A 42 42 ASP CB C 42 40.331 31.905 8.426 1
1 463 . 16 1 1 A 42 42 ASP N N 42 112.956 120.169 -7.213 1
1 464 . 16 1 1 A 43 43 LEU H H 43 7.431 8.146 -0.715 1
1 465 . 16 1 1 A 43 43 LEU HA H 43 4.210 3.439 0.771 1
1 475 . 16 1 1 A 43 43 LEU C C 43 175.552 178.140 -2.588 1
1 476 . 16 1 1 A 43 43 LEU CA C 43 55.199 58.321 -3.122 1
1 477 . 16 1 1 A 43 43 LEU CB C 43 42.398 32.409 9.989 1
1 481 . 16 1 1 A 43 43 LEU N N 43 123.293 117.478 5.815 1
1 482 . 16 1 1 A 44 44 HIS H H 44 8.405 7.640 0.765 1
1 483 . 16 1 1 A 44 44 HIS HA H 44 5.154 3.915 1.239 1
1 488 . 16 1 1 A 44 44 HIS C C 44 177.511 178.602 -1.091 1
1 489 . 16 1 1 A 44 44 HIS CA C 44 54.692 57.823 -3.131 1
1 490 . 16 1 1 A 44 44 HIS CB C 44 30.868 41.916 -11.048 1
1 493 . 16 1 1 A 44 44 HIS N N 44 121.975 121.428 0.547 1
1 494 . 16 1 1 A 45 45 ILE H H 45 8.628 7.675 0.953 1
1 495 . 16 1 1 A 45 45 ILE HA H 45 3.445 3.911 -0.466 1
1 505 . 16 1 1 A 45 45 ILE C C 45 179.116 178.830 0.286 1
1 506 . 16 1 1 A 45 45 ILE CA C 45 62.585 59.018 3.567 1
1 507 . 16 1 1 A 45 45 ILE CB C 45 35.492 31.486 4.006 1
1 511 . 16 1 1 A 45 45 ILE N N 45 124.304 118.942 5.362 1
1 512 . 16 1 1 A 46 46 GLY H H 46 9.792 7.450 2.342 1
1 515 . 16 1 1 A 46 46 GLY C C 46 175.742 179.088 -3.346 1
1 516 . 16 1 1 A 46 46 GLY CA C 46 46.812 58.001 -11.189 1
1 517 . 16 1 1 A 46 46 GLY N N 46 106.610 120.026 -13.416 1
1 518 . 16 1 1 A 47 47 GLY H H 47 6.761 7.601 -0.840 1
1 521 . 16 1 1 A 47 47 GLY C C 47 176.182 178.069 -1.887 1
1 522 . 16 1 1 A 47 47 GLY CA C 47 46.819 66.576 -19.757 1
1 523 . 16 1 1 A 47 47 GLY N N 47 109.580 117.836 -8.256 1
1 524 . 16 1 1 A 48 48 VAL H H 48 7.669 8.417 -0.748 1
1 525 . 16 1 1 A 48 48 VAL HA H 48 3.083 3.861 -0.778 1
1 533 . 16 1 1 A 48 48 VAL C C 48 176.849 178.608 -1.759 1
1 534 . 16 1 1 A 48 48 VAL CA C 48 66.775 59.653 7.122 1
1 535 . 16 1 1 A 48 48 VAL CB C 48 30.944 28.987 1.957 1
1 538 . 16 1 1 A 48 48 VAL N N 48 123.461 120.068 3.393 1
1 539 . 16 1 1 A 49 49 MET H H 49 7.632 8.173 -0.541 1
1 540 . 16 1 1 A 49 49 MET HA H 49 3.143 4.015 -0.872 1
1 548 . 16 1 1 A 49 49 MET C C 49 176.774 178.492 -1.718 1
1 549 . 16 1 1 A 49 49 MET CA C 49 59.972 58.567 1.405 1
1 550 . 16 1 1 A 49 49 MET CB C 49 33.142 28.465 4.677 1
1 553 . 16 1 1 A 49 49 MET N N 49 115.691 119.467 -3.776 1
1 554 . 16 1 1 A 50 50 LEU H H 50 7.535 7.975 -0.440 1
1 555 . 16 1 1 A 50 50 LEU HA H 50 3.821 4.190 -0.369 1
1 565 . 16 1 1 A 50 50 LEU C C 50 179.001 176.446 2.555 1
1 566 . 16 1 1 A 50 50 LEU CA C 50 57.910 59.144 -1.234 1
1 567 . 16 1 1 A 50 50 LEU CB C 50 41.821 32.962 8.859 1
1 571 . 16 1 1 A 50 50 LEU N N 50 117.445 117.931 -0.486 1
1 572 . 16 1 1 A 51 51 LYS H H 51 7.447 8.498 -1.051 1
1 573 . 16 1 1 A 51 51 LYS HA H 51 3.880 4.380 -0.500 1
1 582 . 16 1 1 A 51 51 LYS C C 51 178.975 174.150 4.825 1
1 583 . 16 1 1 A 51 51 LYS CA C 51 59.003 53.973 5.030 1
1 584 . 16 1 1 A 51 51 LYS CB C 51 32.890 36.951 -4.061 1
1 588 . 16 1 1 A 51 51 LYS N N 51 118.306 117.329 0.977 1
1 589 . 16 1 1 A 52 52 LEU H H 52 7.547 7.973 -0.426 1
1 590 . 16 1 1 A 52 52 LEU HA H 52 3.523 4.628 -1.105 1
1 600 . 16 1 1 A 52 52 LEU C C 52 177.676 175.270 2.406 1
1 601 . 16 1 1 A 52 52 LEU CA C 52 58.038 60.068 -2.030 1
1 602 . 16 1 1 A 52 52 LEU CB C 52 41.660 41.409 0.251 1
1 606 . 16 1 1 A 52 52 LEU N N 52 119.198 120.308 -1.110 1
1 607 . 16 1 1 A 53 53 VAL H H 53 7.368 8.682 -1.314 1
1 608 . 16 1 1 A 53 53 VAL HA H 53 2.469 4.631 -2.162 1
1 616 . 16 1 1 A 53 53 VAL C C 53 179.189 176.947 2.242 1
1 617 . 16 1 1 A 53 53 VAL CA C 53 66.706 51.975 14.731 1
1 618 . 16 1 1 A 53 53 VAL CB C 53 31.343 18.586 12.757 1
1 621 . 16 1 1 A 53 53 VAL N N 53 117.879 130.867 -12.988 1
1 622 . 16 1 1 A 54 54 GLU H H 54 7.966 8.407 -0.441 1
1 623 . 16 1 1 A 54 54 GLU HA H 54 3.865 4.816 -0.951 1
1 628 . 16 1 1 A 54 54 GLU C C 54 178.593 172.992 5.601 1
1 629 . 16 1 1 A 54 54 GLU CA C 54 58.935 53.648 5.287 1
1 630 . 16 1 1 A 54 54 GLU CB C 54 29.772 32.207 -2.435 1
1 632 . 16 1 1 A 54 54 GLU N N 54 119.295 122.491 -3.196 1
1 633 . 16 1 1 A 55 55 GLN H H 55 7.651 8.268 -0.617 1
1 634 . 16 1 1 A 55 55 GLN HA H 55 4.005 4.685 -0.680 1
1 641 . 16 1 1 A 55 55 GLN C C 55 177.512 175.659 1.853 1
1 642 . 16 1 1 A 55 55 GLN CA C 55 57.362 52.847 4.515 1
1 643 . 16 1 1 A 55 55 GLN CB C 55 28.938 40.943 -12.005 1
1 645 . 16 1 1 A 55 55 GLN N N 55 116.036 120.577 -4.541 1
1 647 . 16 1 1 A 56 56 MET H H 56 7.691 8.719 -1.028 1
1 648 . 16 1 1 A 56 56 MET HA H 56 4.316 5.166 -0.850 1
1 656 . 16 1 1 A 56 56 MET C C 56 176.572 177.013 -0.441 1
1 657 . 16 1 1 A 56 56 MET CA C 56 56.492 56.218 0.274 1
1 658 . 16 1 1 A 56 56 MET CB C 56 32.901 28.885 4.016 1
1 661 . 16 1 1 A 56 56 MET N N 56 117.664 127.423 -9.759 1
1 662 . 16 1 1 A 57 57 ASN H H 57 7.816 7.971 -0.155 1
1 663 . 16 1 1 A 57 57 ASN HA H 57 4.495 4.429 0.066 1
1 668 . 16 1 1 A 57 57 ASN C C 57 174.613 174.688 -0.075 1
1 669 . 16 1 1 A 57 57 ASN CA C 57 53.813 61.576 -7.763 1
1 670 . 16 1 1 A 57 57 ASN CB C 57 37.713 63.753 -26.040 1
1 671 . 16 1 1 A 57 57 ASN N N 57 115.864 117.024 -1.160 1
1 673 . 16 1 1 A 58 58 ILE H H 58 8.391 8.079 0.312 1
1 674 . 16 1 1 A 58 58 ILE HA H 58 4.284 4.940 -0.656 1
1 684 . 16 1 1 A 58 58 ILE C C 58 175.277 174.105 1.172 1
1 685 . 16 1 1 A 58 58 ILE CA C 58 60.631 52.861 7.770 1
1 686 . 16 1 1 A 58 58 ILE CB C 58 41.470 42.584 -1.114 1
1 690 . 16 1 1 A 58 58 ILE N N 58 117.760 116.734 1.026 1
1 691 . 16 1 1 A 59 59 ALA H H 59 8.438 8.626 -0.188 1
1 692 . 16 1 1 A 59 59 ALA HA H 59 4.535 5.740 -1.205 1
1 696 . 16 1 1 A 59 59 ALA C C 59 175.554 173.579 1.975 1
1 697 . 16 1 1 A 59 59 ALA CA C 59 51.604 55.570 -3.966 1
1 698 . 16 1 1 A 59 59 ALA CB C 59 17.256 41.532 -24.276 1
1 699 . 16 1 1 A 59 59 ALA N N 59 129.371 119.530 9.841 1
1 700 . 16 1 1 A 60 60 GLN H H 60 7.498 8.701 -1.203 1
1 701 . 16 1 1 A 60 60 GLN HA H 60 4.291 5.306 -1.015 1
1 708 . 16 1 1 A 60 60 GLN C C 60 172.908 175.521 -2.613 1
1 709 . 16 1 1 A 60 60 GLN CA C 60 53.492 51.709 1.783 1
1 710 . 16 1 1 A 60 60 GLN CB C 60 30.340 23.678 6.662 1
1 712 . 16 1 1 A 60 60 GLN N N 60 120.550 122.247 -1.697 1
1 714 . 16 1 1 A 61 61 ASP H H 61 8.086 8.756 -0.670 1
1 715 . 16 1 1 A 61 61 ASP HA H 61 4.622 5.263 -0.641 1
1 718 . 16 1 1 A 61 61 ASP C C 61 177.529 175.268 2.261 1
1 719 . 16 1 1 A 61 61 ASP CA C 61 53.520 54.272 -0.752 1
1 720 . 16 1 1 A 61 61 ASP CB C 61 40.493 44.486 -3.993 1
1 721 . 16 1 1 A 61 61 ASP N N 61 118.225 122.062 -3.837 1
1 722 . 16 1 1 A 62 62 TRP H H 62 8.999 9.548 -0.549 1
1 723 . 16 1 1 A 62 62 TRP HA H 62 4.578 5.488 -0.910 1
1 732 . 16 1 1 A 62 62 TRP C C 62 178.609 174.741 3.868 1
1 733 . 16 1 1 A 62 62 TRP CA C 62 57.200 54.334 2.866 1
1 734 . 16 1 1 A 62 62 TRP CB C 62 29.155 31.234 -2.079 1
1 740 . 16 1 1 A 62 62 TRP N N 62 129.134 128.688 0.446 1
1 742 . 16 1 1 A 63 63 SER H H 63 8.756 8.653 0.103 1
1 743 . 16 1 1 A 63 63 SER HA H 63 4.127 4.754 -0.627 1
1 746 . 16 1 1 A 63 63 SER C C 63 175.119 175.767 -0.648 1
1 747 . 16 1 1 A 63 63 SER CA C 63 62.933 55.899 7.034 1
1 748 . 16 1 1 A 63 63 SER CB C 63 63.120 29.540 33.580 1
1 749 . 16 1 1 A 63 63 SER N N 63 119.231 129.950 -10.719 1
1 750 . 16 1 1 A 64 64 ASP H H 64 9.095 8.775 0.320 1
1 751 . 16 1 1 A 64 64 ASP HA H 64 4.876 3.842 1.034 1
1 754 . 16 1 1 A 64 64 ASP C C 64 177.267 178.198 -0.931 1
1 755 . 16 1 1 A 64 64 ASP CA C 64 54.157 59.557 -5.400 1
1 756 . 16 1 1 A 64 64 ASP CB C 64 43.116 29.613 13.503 1
1 757 . 16 1 1 A 64 64 ASP N N 64 120.137 125.929 -5.792 1
1 758 . 16 1 1 A 65 65 TYR H H 65 7.991 8.181 -0.190 1
1 759 . 16 1 1 A 65 65 TYR HA H 65 4.151 4.057 0.094 1
1 766 . 16 1 1 A 65 65 TYR C C 65 175.746 177.258 -1.512 1
1 767 . 16 1 1 A 65 65 TYR CA C 65 59.053 58.366 0.687 1
1 768 . 16 1 1 A 65 65 TYR CB C 65 38.836 28.494 10.342 1
1 773 . 16 1 1 A 65 65 TYR N N 65 121.458 119.206 2.252 1
1 774 . 16 1 1 A 66 66 ALA H H 66 8.698 7.220 1.478 1
1 775 . 16 1 1 A 66 66 ALA HA H 66 4.794 4.010 0.784 1
1 779 . 16 1 1 A 66 66 ALA C C 66 175.126 175.386 -0.260 1
1 780 . 16 1 1 A 66 66 ALA CA C 66 51.166 55.551 -4.385 1
1 781 . 16 1 1 A 66 66 ALA CB C 66 23.771 32.679 -8.908 1
1 782 . 16 1 1 A 66 66 ALA N N 66 122.944 117.052 5.892 1
1 783 . 16 1 1 A 67 67 LEU H H 67 9.131 7.409 1.722 1
1 784 . 16 1 1 A 67 67 LEU HA H 67 5.498 3.046 2.452 1
1 794 . 16 1 1 A 67 67 LEU C C 67 174.489 174.023 0.466 1
1 795 . 16 1 1 A 67 67 LEU CA C 67 53.987 56.564 -2.577 1
1 796 . 16 1 1 A 67 67 LEU CB C 67 44.080 27.758 16.322 1
1 800 . 16 1 1 A 67 67 LEU N N 67 118.646 116.234 2.412 1
1 801 . 16 1 1 A 68 68 TRP H H 68 9.934 6.409 3.525 1
1 802 . 16 1 1 A 68 68 TRP HA H 68 4.680 4.772 -0.092 1
1 811 . 16 1 1 A 68 68 TRP C C 68 174.148 173.130 1.018 1
1 812 . 16 1 1 A 68 68 TRP CA C 68 55.276 57.383 -2.107 1
1 813 . 16 1 1 A 68 68 TRP CB C 68 30.222 30.993 -0.771 1
1 819 . 16 1 1 A 68 68 TRP N N 68 126.978 115.779 11.199 1
1 821 . 16 1 1 A 69 69 TRP H H 69 8.507 9.003 -0.496 1
1 822 . 16 1 1 A 69 69 TRP HA H 69 5.060 5.591 -0.531 1
1 831 . 16 1 1 A 69 69 TRP C C 69 175.837 176.156 -0.319 1
1 832 . 16 1 1 A 69 69 TRP CA C 69 52.520 56.207 -3.687 1
1 833 . 16 1 1 A 69 69 TRP CB C 69 30.500 31.328 -0.828 1
1 839 . 16 1 1 A 69 69 TRP N N 69 129.756 125.181 4.575 1
1 841 . 16 1 1 A 70 70 GLU H H 70 8.917 9.797 -0.880 1
1 842 . 16 1 1 A 70 70 GLU HA H 70 3.817 4.446 -0.629 1
1 847 . 16 1 1 A 70 70 GLU C C 70 179.449 177.052 2.397 1
1 848 . 16 1 1 A 70 70 GLU CA C 70 60.208 54.882 5.326 1
1 849 . 16 1 1 A 70 70 GLU CB C 70 29.937 40.973 -11.036 1
1 851 . 16 1 1 A 70 70 GLU N N 70 126.517 126.729 -0.212 1
1 852 . 16 1 1 A 71 71 GLN H H 71 8.515 8.478 0.037 1
1 853 . 16 1 1 A 71 71 GLN HA H 71 3.782 4.686 -0.904 1
1 860 . 16 1 1 A 71 71 GLN C C 71 177.266 177.024 0.242 1
1 861 . 16 1 1 A 71 71 GLN CA C 71 61.006 54.273 6.733 1
1 862 . 16 1 1 A 71 71 GLN CB C 71 27.451 42.579 -15.128 1
1 864 . 16 1 1 A 71 71 GLN N N 71 114.822 125.931 -11.109 1
1 866 . 16 1 1 A 72 72 LYS H H 72 5.086 7.483 -2.397 1
1 867 . 16 1 1 A 72 72 LYS HA H 72 3.719 4.414 -0.695 1
1 876 . 16 1 1 A 72 72 LYS C C 72 174.268 177.515 -3.247 1
1 877 . 16 1 1 A 72 72 LYS CA C 72 53.864 54.885 -1.021 1
1 878 . 16 1 1 A 72 72 LYS CB C 72 33.242 29.736 3.506 1
1 882 . 16 1 1 A 72 72 LYS N N 72 112.499 120.651 -8.152 1
1 883 . 16 1 1 A 73 73 ARG H H 73 7.402 8.108 -0.706 1
1 884 . 16 1 1 A 73 73 ARG HA H 73 2.800 4.267 -1.467 1
1 892 . 16 1 1 A 73 73 ARG C C 73 173.935 175.847 -1.912 1
1 893 . 16 1 1 A 73 73 ARG CA C 73 56.187 65.010 -8.823 1
1 894 . 16 1 1 A 73 73 ARG CB C 73 26.602 69.009 -42.407 1
1 897 . 16 1 1 A 73 73 ARG N N 73 118.477 113.683 4.794 1
1 899 . 16 1 1 A 74 74 CYS H H 74 6.242 7.934 -1.692 1
1 900 . 16 1 1 A 74 74 CYS HA H 74 4.671 4.492 0.179 1
1 903 . 16 1 1 A 74 74 CYS C C 74 171.332 175.323 -3.991 1
1 904 . 16 1 1 A 74 74 CYS CA C 74 54.443 57.999 -3.556 1
1 905 . 16 1 1 A 74 74 CYS CB C 74 31.599 30.217 1.382 1
1 906 . 16 1 1 A 74 74 CYS N N 74 110.705 118.793 -8.088 1
1 907 . 16 1 1 A 75 75 TRP H H 75 8.567 7.911 0.656 1
1 908 . 16 1 1 A 75 75 TRP HA H 75 5.414 4.796 0.618 1
1 917 . 16 1 1 A 75 75 TRP C C 75 177.638 176.536 1.102 1
1 918 . 16 1 1 A 75 75 TRP CA C 75 55.720 56.835 -1.115 1
1 919 . 16 1 1 A 75 75 TRP CB C 75 30.966 30.912 0.054 1
1 925 . 16 1 1 A 75 75 TRP N N 75 120.876 119.820 1.056 1
1 927 . 16 1 1 A 76 76 LEU H H 76 9.181 8.949 0.232 1
1 928 . 16 1 1 A 76 76 LEU HA H 76 4.737 4.811 -0.074 1
1 938 . 16 1 1 A 76 76 LEU C C 76 175.745 176.299 -0.554 1
1 939 . 16 1 1 A 76 76 LEU CA C 76 53.729 60.404 -6.675 1
1 940 . 16 1 1 A 76 76 LEU CB C 76 40.810 71.688 -30.878 1
1 944 . 16 1 1 A 76 76 LEU N N 76 125.488 114.899 10.589 1
1 945 . 16 1 1 A 77 77 LEU H H 77 7.711 9.143 -1.432 1
1 946 . 16 1 1 A 77 77 LEU HA H 77 4.416 4.089 0.327 1
1 956 . 16 1 1 A 77 77 LEU C C 77 178.257 178.919 -0.662 1
1 957 . 16 1 1 A 77 77 LEU CA C 77 54.539 58.302 -3.763 1
1 958 . 16 1 1 A 77 77 LEU CB C 77 42.566 41.590 0.976 1
1 962 . 16 1 1 A 77 77 LEU N N 77 119.493 122.868 -3.375 1
1 963 . 16 1 1 A 78 78 LYS H H 78 8.173 8.668 -0.495 1
1 964 . 16 1 1 A 78 78 LYS HA H 78 4.380 4.419 -0.039 1
1 973 . 16 1 1 A 78 78 LYS C C 78 177.029 178.645 -1.616 1
1 974 . 16 1 1 A 78 78 LYS CA C 78 54.048 57.296 -3.248 1
1 975 . 16 1 1 A 78 78 LYS CB C 78 28.755 40.941 -12.186 1
1 979 . 16 1 1 A 78 78 LYS N N 78 121.730 119.321 2.409 1
1 980 . 16 1 1 A 79 79 THR H H 79 7.812 7.912 -0.100 1
1 981 . 16 1 1 A 79 79 THR HA H 79 3.677 4.119 -0.442 1
1 986 . 16 1 1 A 79 79 THR C C 79 175.193 178.774 -3.581 1
1 987 . 16 1 1 A 79 79 THR CA C 79 64.890 58.862 6.028 1
1 988 . 16 1 1 A 79 79 THR CB C 79 68.447 32.133 36.314 1
1 990 . 16 1 1 A 79 79 THR N N 79 114.142 118.692 -4.550 1
1 991 . 16 1 1 A 80 80 HIS H H 80 8.929 8.179 0.750 1
1 992 . 16 1 1 A 80 80 HIS HA H 80 4.759 4.759 0.000 1
1 995 . 16 1 1 A 80 80 HIS C C 80 175.622 175.598 0.024 1
1 996 . 16 1 1 A 80 80 HIS CA C 80 56.078 59.652 -3.574 1
1 997 . 16 1 1 A 80 80 HIS CB C 80 29.927 28.402 1.525 1
1 998 . 16 1 1 A 80 80 HIS N N 80 117.372 115.455 1.917 1
1 999 . 16 1 1 A 81 81 TRP H H 81 8.544 8.221 0.323 1
1 1009 . 16 1 1 A 81 81 TRP C C 81 175.952 174.259 1.693 1
1 1010 . 16 1 1 A 81 81 TRP CA C 81 56.009 45.996 10.013 1
1 1017 . 16 1 1 A 81 81 TRP N N 81 122.512 109.456 13.056 1
1 1019 . 16 1 1 A 82 82 THR H H 82 7.587 7.742 -0.155 1
1 1020 . 16 1 1 A 82 82 THR HA H 82 4.725 4.230 0.495 1
1 1025 . 16 1 1 A 82 82 THR C C 82 176.305 174.788 1.517 1
1 1026 . 16 1 1 A 82 82 THR CA C 82 60.250 60.567 -0.317 1
1 1027 . 16 1 1 A 82 82 THR CB C 82 70.601 31.937 38.664 1
1 1029 . 16 1 1 A 82 82 THR N N 82 109.728 121.619 -11.891 1
1 1030 . 16 1 1 A 83 83 LEU H H 83 8.354 8.721 -0.367 1
1 1031 . 16 1 1 A 83 83 LEU HA H 83 3.798 3.916 -0.118 1
1 1040 . 16 1 1 A 83 83 LEU C C 83 179.461 176.779 2.682 1
1 1041 . 16 1 1 A 83 83 LEU CA C 83 59.442 53.791 5.651 1
1 1042 . 16 1 1 A 83 83 LEU CB C 83 40.758 30.370 10.388 1
1 1045 . 16 1 1 A 83 83 LEU N N 83 122.120 127.738 -5.618 1
1 1046 . 16 1 1 A 84 84 ASP H H 84 8.985 7.819 1.166 1
1 1047 . 16 1 1 A 84 84 ASP HA H 84 4.427 4.194 0.233 1
1 1050 . 16 1 1 A 84 84 ASP C C 84 179.464 177.846 1.618 1
1 1051 . 16 1 1 A 84 84 ASP CA C 84 57.459 53.652 3.807 1
1 1052 . 16 1 1 A 84 84 ASP CB C 84 40.243 18.787 21.456 1
1 1053 . 16 1 1 A 84 84 ASP N N 84 118.020 122.603 -4.583 1
1 1054 . 16 1 1 A 85 85 LYS H H 85 8.134 7.823 0.311 1
1 1055 . 16 1 1 A 85 85 LYS HA H 85 3.820 4.670 -0.850 1
1 1064 . 16 1 1 A 85 85 LYS C C 85 178.824 176.222 2.602 1
1 1065 . 16 1 1 A 85 85 LYS CA C 85 59.103 54.852 4.251 1
1 1066 . 16 1 1 A 85 85 LYS CB C 85 32.229 41.741 -9.512 1
1 1070 . 16 1 1 A 85 85 LYS N N 85 123.380 117.339 6.041 1
1 1071 . 16 1 1 A 86 86 CYS H H 86 8.083 7.244 0.839 1
1 1072 . 16 1 1 A 86 86 CYS HA H 86 4.439 4.499 -0.060 1
1 1075 . 16 1 1 A 86 86 CYS C C 86 174.621 177.282 -2.661 1
1 1076 . 16 1 1 A 86 86 CYS CA C 86 61.800 51.702 10.098 1
1 1077 . 16 1 1 A 86 86 CYS CB C 86 28.700 19.647 9.053 1
1 1078 . 16 1 1 A 86 86 CYS N N 86 113.734 122.215 -8.481 1
1 1079 . 16 1 1 A 87 87 GLY H H 87 7.904 8.740 -0.836 1
1 1082 . 16 1 1 A 87 87 GLY C C 87 174.471 174.258 0.213 1
1 1083 . 16 1 1 A 87 87 GLY CA C 87 45.434 53.348 -7.914 1
1 1084 . 16 1 1 A 87 87 GLY N N 87 107.243 119.966 -12.723 1
1 1085 . 16 1 1 A 88 88 VAL H H 88 7.635 8.986 -1.351 1
1 1086 . 16 1 1 A 88 88 VAL HA H 88 3.165 5.285 -2.120 1
1 1094 . 16 1 1 A 88 88 VAL C C 88 173.926 174.276 -0.350 1
1 1095 . 16 1 1 A 88 88 VAL CA C 88 63.281 53.283 9.998 1
1 1096 . 16 1 1 A 88 88 VAL CB C 88 31.892 45.250 -13.358 1
1 1099 . 16 1 1 A 88 88 VAL N N 88 122.351 127.536 -5.185 1
1 1100 . 16 1 1 A 89 89 GLN H H 89 7.651 9.756 -2.105 1
1 1101 . 16 1 1 A 89 89 GLN HA H 89 3.946 5.727 -1.781 1
1 1108 . 16 1 1 A 89 89 GLN C C 89 175.629 174.612 1.017 1
1 1109 . 16 1 1 A 89 89 GLN CA C 89 53.861 52.921 0.940 1
1 1110 . 16 1 1 A 89 89 GLN CB C 89 31.010 46.551 -15.541 1
1 1112 . 16 1 1 A 89 89 GLN N N 89 125.820 128.565 -2.745 1
1 1114 . 16 1 1 A 90 90 ALA H H 90 7.025 9.612 -2.587 1
1 1115 . 16 1 1 A 90 90 ALA HA H 90 3.873 5.475 -1.602 1
1 1119 . 16 1 1 A 90 90 ALA C C 90 177.042 173.560 3.482 1
1 1120 . 16 1 1 A 90 90 ALA CA C 90 54.869 55.570 -0.701 1
1 1121 . 16 1 1 A 90 90 ALA CB C 90 18.818 42.298 -23.480 1
1 1122 . 16 1 1 A 90 90 ALA N N 90 118.713 126.948 -8.235 1
1 1123 . 16 1 1 A 91 91 ASP H H 91 8.310 8.597 -0.287 1
1 1124 . 16 1 1 A 91 91 ASP HA H 91 4.415 4.762 -0.347 1
1 1127 . 16 1 1 A 91 91 ASP C C 91 176.371 171.617 4.754 1
1 1128 . 16 1 1 A 91 91 ASP CA C 91 53.133 57.997 -4.864 1
1 1129 . 16 1 1 A 91 91 ASP CB C 91 39.673 72.475 -32.802 1
1 1130 . 16 1 1 A 91 91 ASP N N 91 113.050 121.629 -8.579 1
1 1132 . 16 1 1 A 92 92 ALA HA H 92 4.237 4.750 -0.513 1
1 1136 . 16 1 1 A 92 92 ALA C C 92 176.536 177.070 -0.534 1
1 1137 . 16 1 1 A 92 92 ALA CA C 92 53.721 63.218 -9.497 1
1 1138 . 16 1 1 A 92 92 ALA CB C 92 19.774 31.887 -12.113 1
1 1139 . 16 1 1 A 92 92 ALA N N 92 124.114 141.169 -17.055 1
1 1140 . 16 1 1 A 93 93 ASN H H 93 9.478 8.142 1.336 1
1 1141 . 16 1 1 A 93 93 ASN HA H 93 5.141 4.015 1.126 1
1 1146 . 16 1 1 A 93 93 ASN C C 93 173.906 175.969 -2.063 1
1 1147 . 16 1 1 A 93 93 ASN CA C 93 52.433 55.512 -3.079 1
1 1148 . 16 1 1 A 93 93 ASN CB C 93 38.547 27.580 10.967 1
1 1149 . 16 1 1 A 93 93 ASN N N 93 123.235 119.360 3.875 1
1 1151 . 16 1 1 A 94 94 LEU H H 94 8.675 7.652 1.023 1
1 1152 . 16 1 1 A 94 94 LEU HA H 94 5.429 4.677 0.752 1
1 1162 . 16 1 1 A 94 94 LEU C C 94 175.486 174.257 1.229 1
1 1163 . 16 1 1 A 94 94 LEU CA C 94 53.003 57.491 -4.488 1
1 1164 . 16 1 1 A 94 94 LEU CB C 94 44.739 30.272 14.467 1
1 1168 . 16 1 1 A 94 94 LEU N N 94 122.901 121.360 1.541 1
1 1169 . 16 1 1 A 95 95 LEU H H 95 9.412 8.296 1.116 1
1 1170 . 16 1 1 A 95 95 LEU HA H 95 5.388 4.780 0.608 1
1 1180 . 16 1 1 A 95 95 LEU C C 95 174.403 174.523 -0.120 1
1 1181 . 16 1 1 A 95 95 LEU CA C 95 53.155 54.694 -1.539 1
1 1182 . 16 1 1 A 95 95 LEU CB C 95 46.432 34.330 12.102 1
1 1186 . 16 1 1 A 95 95 LEU N N 95 126.034 123.494 2.540 1
1 3 . 17 1 1 A 1 1 GLY C C 1 173.950 175.354 -1.404 1
1 4 . 17 1 1 A 1 1 GLY CA C 1 45.289 52.733 -7.444 1
1 5 . 17 1 1 A 2 2 ILE H H 2 8.026 8.658 -0.632 1
1 6 . 17 1 1 A 2 2 ILE HA H 2 4.518 4.291 0.227 1
1 16 . 17 1 1 A 2 2 ILE CA C 2 54.315 54.841 -0.526 1
1 17 . 17 1 1 A 2 2 ILE CB C 2 41.381 40.725 0.656 1
1 21 . 17 1 1 A 2 2 ILE N N 2 120.237 120.757 -0.520 1
1 22 . 17 1 1 A 3 3 ASP H H 3 8.212 8.769 -0.557 1
1 25 . 17 1 1 A 3 3 ASP CB C 3 41.116 62.761 -21.645 1
1 26 . 17 1 1 A 3 3 ASP N N 3 126.816 121.159 5.657 1
1 27 . 17 1 1 A 4 4 PRO HA H 4 3.818 4.680 -0.862 1
1 28 . 17 1 1 A 4 4 PRO C C 4 176.930 174.336 2.594 1
1 29 . 17 1 1 A 4 4 PRO CA C 4 63.589 58.049 5.540 1
1 30 . 17 1 1 A 5 5 PHE H H 5 8.214 7.660 0.554 1
1 33 . 17 1 1 A 5 5 PHE C C 5 176.204 174.764 1.440 1
1 34 . 17 1 1 A 5 5 PHE CA C 5 58.089 46.703 11.386 1
1 36 . 17 1 1 A 5 5 PHE N N 5 118.317 110.223 8.094 1
1 37 . 17 1 1 A 6 6 THR H H 6 7.789 8.196 -0.407 1
1 38 . 17 1 1 A 6 6 THR HA H 6 4.268 4.353 -0.085 1
1 43 . 17 1 1 A 6 6 THR C C 6 174.096 175.950 -1.854 1
1 44 . 17 1 1 A 6 6 THR CA C 6 62.228 56.715 5.513 1
1 45 . 17 1 1 A 6 6 THR CB C 6 69.842 40.755 29.087 1
1 47 . 17 1 1 A 6 6 THR N N 6 114.242 118.060 -3.818 1
1 48 . 17 1 1 A 7 7 MET H H 7 8.077 7.696 0.381 1
1 49 . 17 1 1 A 7 7 MET HA H 7 4.721 4.659 0.062 1
1 50 . 17 1 1 A 7 7 MET CA C 7 55.836 54.285 1.551 1
1 51 . 17 1 1 A 7 7 MET N N 7 121.684 117.186 4.498 1
1 52 . 17 1 1 A 8 8 LEU H H 8 8.043 8.790 -0.747 1
1 53 . 17 1 1 A 8 8 LEU HA H 8 4.322 4.524 -0.202 1
1 60 . 17 1 1 A 8 8 LEU CA C 8 55.142 62.534 -7.392 1
1 63 . 17 1 1 A 8 8 LEU N N 8 122.622 121.312 1.310 1
1 64 . 17 1 1 A 9 9 SER H H 9 8.263 9.166 -0.903 1
1 65 . 17 1 1 A 9 9 SER HA H 9 4.318 4.757 -0.439 1
1 68 . 17 1 1 A 9 9 SER CA C 9 58.256 56.729 1.527 1
1 69 . 17 1 1 A 9 9 SER CB C 9 63.851 63.926 -0.075 1
1 70 . 17 1 1 A 9 9 SER N N 9 116.455 121.595 -5.140 1
1 71 . 17 1 1 A 10 10 SER H H 10 8.268 8.123 0.145 1
1 72 . 17 1 1 A 10 10 SER HA H 10 4.418 4.054 0.364 1
1 75 . 17 1 1 A 10 10 SER C C 10 175.142 176.452 -1.310 1
1 76 . 17 1 1 A 10 10 SER CA C 10 58.684 52.916 5.768 1
1 77 . 17 1 1 A 10 10 SER CB C 10 63.935 18.006 45.929 1
1 78 . 17 1 1 A 10 10 SER N N 10 117.758 129.936 -12.178 1
1 79 . 17 1 1 A 11 11 GLY H H 11 8.300 8.816 -0.516 1
1 82 . 17 1 1 A 11 11 GLY C C 11 176.844 173.688 3.156 1
1 83 . 17 1 1 A 11 11 GLY CA C 11 45.340 57.815 -12.475 1
1 84 . 17 1 1 A 11 11 GLY N N 11 110.621 118.835 -8.214 1
1 85 . 17 1 1 A 12 12 ASP H H 12 8.095 7.912 0.183 1
1 86 . 17 1 1 A 12 12 ASP HA H 12 4.520 5.560 -1.040 1
1 89 . 17 1 1 A 12 12 ASP C C 12 176.422 175.358 1.064 1
1 90 . 17 1 1 A 12 12 ASP CA C 12 54.331 54.293 0.038 1
1 91 . 17 1 1 A 12 12 ASP CB C 12 41.101 32.516 8.585 1
1 92 . 17 1 1 A 12 12 ASP N N 12 120.276 124.301 -4.025 1
1 93 . 17 1 1 A 13 13 LEU H H 13 8.259 8.792 -0.533 1
1 94 . 17 1 1 A 13 13 LEU HA H 13 4.326 4.719 -0.393 1
1 104 . 17 1 1 A 13 13 LEU C C 13 177.829 174.987 2.842 1
1 105 . 17 1 1 A 13 13 LEU CA C 13 55.426 56.431 -1.005 1
1 106 . 17 1 1 A 13 13 LEU CB C 13 42.043 30.555 11.488 1
1 110 . 17 1 1 A 13 13 LEU N N 13 122.645 119.819 2.826 1
1 111 . 17 1 1 A 14 14 THR H H 14 8.134 9.285 -1.151 1
1 112 . 17 1 1 A 14 14 THR HA H 14 4.265 5.268 -1.003 1
1 117 . 17 1 1 A 14 14 THR C C 14 174.821 174.831 -0.010 1
1 118 . 17 1 1 A 14 14 THR CA C 14 62.228 53.742 8.486 1
1 119 . 17 1 1 A 14 14 THR CB C 14 69.762 44.605 25.157 1
1 121 . 17 1 1 A 14 14 THR N N 14 114.338 127.869 -13.531 1
1 122 . 17 1 1 A 15 15 SER H H 15 8.181 8.850 -0.669 1
1 123 . 17 1 1 A 15 15 SER HA H 15 4.429 4.661 -0.232 1
1 126 . 17 1 1 A 15 15 SER C C 15 174.213 175.124 -0.911 1
1 127 . 17 1 1 A 15 15 SER CA C 15 58.321 62.598 -4.277 1
1 128 . 17 1 1 A 15 15 SER CB C 15 63.826 31.802 32.024 1
1 129 . 17 1 1 A 15 15 SER N N 15 117.846 129.272 -11.426 1
1 130 . 17 1 1 A 16 16 ALA H H 16 8.284 9.653 -1.369 1
1 131 . 17 1 1 A 16 16 ALA HA H 16 4.395 4.735 -0.340 1
1 135 . 17 1 1 A 16 16 ALA C C 16 177.160 175.164 1.996 1
1 136 . 17 1 1 A 16 16 ALA CA C 16 52.623 61.002 -8.379 1
1 137 . 17 1 1 A 16 16 ALA CB C 16 19.390 34.495 -15.105 1
1 138 . 17 1 1 A 16 16 ALA N N 16 126.207 128.681 -2.474 1
1 139 . 17 1 1 A 17 17 SER H H 17 8.035 8.927 -0.892 1
1 140 . 17 1 1 A 17 17 SER HA H 17 4.891 5.123 -0.232 1
1 143 . 17 1 1 A 17 17 SER C C 17 173.472 175.204 -1.732 1
1 144 . 17 1 1 A 17 17 SER CA C 17 57.547 55.878 1.669 1
1 145 . 17 1 1 A 17 17 SER CB C 17 65.420 30.975 34.445 1
1 146 . 17 1 1 A 17 17 SER N N 17 114.521 127.864 -13.343 1
1 147 . 17 1 1 A 18 18 TRP H H 18 8.523 9.268 -0.745 1
1 148 . 17 1 1 A 18 18 TRP HA H 18 4.787 4.784 0.003 1
1 157 . 17 1 1 A 18 18 TRP C C 18 173.910 174.267 -0.357 1
1 158 . 17 1 1 A 18 18 TRP CA C 18 55.331 62.211 -6.880 1
1 159 . 17 1 1 A 18 18 TRP CB C 18 30.044 32.224 -2.180 1
1 165 . 17 1 1 A 18 18 TRP N N 18 120.348 126.050 -5.702 1
1 167 . 17 1 1 A 19 19 GLU H H 19 8.542 9.255 -0.713 1
1 168 . 17 1 1 A 19 19 GLU HA H 19 4.957 5.136 -0.179 1
1 173 . 17 1 1 A 19 19 GLU C C 19 175.089 174.486 0.603 1
1 174 . 17 1 1 A 19 19 GLU CA C 19 55.735 52.500 3.235 1
1 175 . 17 1 1 A 19 19 GLU CB C 19 31.683 43.266 -11.583 1
1 177 . 17 1 1 A 19 19 GLU N N 19 117.964 128.825 -10.861 1
1 178 . 17 1 1 A 20 20 LEU H H 20 8.813 8.917 -0.104 1
1 179 . 17 1 1 A 20 20 LEU HA H 20 4.794 5.004 -0.210 1
1 189 . 17 1 1 A 20 20 LEU C C 20 174.656 174.447 0.209 1
1 190 . 17 1 1 A 20 20 LEU CA C 20 53.195 55.083 -1.888 1
1 191 . 17 1 1 A 20 20 LEU CB C 20 46.182 30.553 15.629 1
1 195 . 17 1 1 A 20 20 LEU N N 20 125.925 125.889 0.036 1
1 196 . 17 1 1 A 21 21 VAL H H 21 8.827 8.475 0.352 1
1 197 . 17 1 1 A 21 21 VAL HA H 21 4.499 4.267 0.232 1
1 205 . 17 1 1 A 21 21 VAL C C 21 176.157 177.364 -1.207 1
1 206 . 17 1 1 A 21 21 VAL CA C 21 62.260 52.495 9.765 1
1 207 . 17 1 1 A 21 21 VAL CB C 21 31.627 18.375 13.252 1
1 210 . 17 1 1 A 21 21 VAL N N 21 127.297 127.615 -0.318 1
1 211 . 17 1 1 A 22 22 VAL H H 22 9.178 8.641 0.537 1
1 212 . 17 1 1 A 22 22 VAL HA H 22 4.348 4.954 -0.606 1
1 220 . 17 1 1 A 22 22 VAL C C 22 175.253 174.991 0.262 1
1 221 . 17 1 1 A 22 22 VAL CA C 22 60.925 54.343 6.582 1
1 222 . 17 1 1 A 22 22 VAL CB C 22 34.352 41.224 -6.872 1
1 225 . 17 1 1 A 22 22 VAL N N 22 129.937 124.091 5.846 1
1 226 . 17 1 1 A 23 23 ARG H H 23 8.104 7.026 1.078 1
1 235 . 17 1 1 A 23 23 ARG C C 23 174.950 174.202 0.748 1
1 236 . 17 1 1 A 23 23 ARG CA C 23 55.516 45.245 10.271 1
1 240 . 17 1 1 A 23 23 ARG N N 23 125.848 106.700 19.148 1
1 242 . 17 1 1 A 24 24 VAL H H 24 9.325 7.824 1.501 1
1 243 . 17 1 1 A 24 24 VAL HA H 24 5.011 4.737 0.274 1
1 251 . 17 1 1 A 24 24 VAL C C 24 175.449 176.118 -0.669 1
1 252 . 17 1 1 A 24 24 VAL CA C 24 61.634 54.969 6.665 1
1 253 . 17 1 1 A 24 24 VAL CB C 24 33.928 31.753 2.175 1
1 256 . 17 1 1 A 24 24 VAL N N 24 124.136 119.484 4.652 1
1 257 . 17 1 1 A 25 25 ASP H H 25 8.414 8.300 0.114 1
1 258 . 17 1 1 A 25 25 ASP HA H 25 5.220 4.647 0.573 1
1 261 . 17 1 1 A 25 25 ASP C C 25 176.671 175.403 1.268 1
1 262 . 17 1 1 A 25 25 ASP CA C 25 52.956 54.550 -1.594 1
1 263 . 17 1 1 A 25 25 ASP CB C 25 43.473 28.311 15.162 1
1 264 . 17 1 1 A 25 25 ASP N N 25 126.172 117.639 8.533 1
1 265 . 17 1 1 A 26 26 HIS H H 26 9.152 7.992 1.160 1
1 266 . 17 1 1 A 26 26 HIS HA H 26 4.542 4.482 0.060 1
1 271 . 17 1 1 A 26 26 HIS C C 26 174.917 175.191 -0.274 1
1 272 . 17 1 1 A 26 26 HIS CA C 26 56.700 56.830 -0.130 1
1 273 . 17 1 1 A 26 26 HIS CB C 26 30.185 27.802 2.383 1
1 276 . 17 1 1 A 26 26 HIS N N 26 124.402 114.310 10.092 1
1 277 . 17 1 1 A 27 27 ALA H H 27 9.121 9.095 0.026 1
1 278 . 17 1 1 A 27 27 ALA HA H 27 3.984 4.428 -0.444 1
1 282 . 17 1 1 A 27 27 ALA C C 27 176.927 174.483 2.444 1
1 283 . 17 1 1 A 27 27 ALA CA C 27 53.240 63.594 -10.354 1
1 284 . 17 1 1 A 27 27 ALA CB C 27 17.122 69.636 -52.514 1
1 285 . 17 1 1 A 27 27 ALA N N 27 121.895 118.942 2.953 1
1 286 . 17 1 1 A 28 28 ASN H H 28 8.140 8.582 -0.442 1
1 287 . 17 1 1 A 28 28 ASN HA H 28 4.628 4.703 -0.075 1
1 292 . 17 1 1 A 28 28 ASN C C 28 176.389 175.187 1.202 1
1 293 . 17 1 1 A 28 28 ASN CA C 28 52.466 55.763 -3.297 1
1 294 . 17 1 1 A 28 28 ASN CB C 28 38.624 30.148 8.476 1
1 295 . 17 1 1 A 28 28 ASN N N 28 114.287 127.082 -12.795 1
1 297 . 17 1 1 A 29 29 GLY H H 29 8.254 9.293 -1.039 1
1 300 . 17 1 1 A 29 29 GLY C C 29 174.848 175.063 -0.215 1
1 301 . 17 1 1 A 29 29 GLY CA C 29 45.354 59.872 -14.518 1
1 302 . 17 1 1 A 29 29 GLY N N 29 108.650 126.515 -17.865 1
1 303 . 17 1 1 A 30 30 GLU H H 30 7.860 9.037 -1.177 1
1 304 . 17 1 1 A 30 30 GLU HA H 30 4.267 4.900 -0.633 1
1 309 . 17 1 1 A 30 30 GLU C C 30 176.802 174.059 2.743 1
1 310 . 17 1 1 A 30 30 GLU CA C 30 56.348 62.112 -5.764 1
1 311 . 17 1 1 A 30 30 GLU CB C 30 30.460 69.040 -38.580 1
1 313 . 17 1 1 A 30 30 GLU N N 30 119.375 123.268 -3.893 1
1 314 . 17 1 1 A 31 31 GLN H H 31 8.280 9.455 -1.175 1
1 315 . 17 1 1 A 31 31 GLN HA H 31 4.222 4.806 -0.584 1
1 322 . 17 1 1 A 31 31 GLN C C 31 175.995 175.661 0.334 1
1 323 . 17 1 1 A 31 31 GLN CA C 31 55.917 53.276 2.641 1
1 324 . 17 1 1 A 31 31 GLN CB C 31 30.002 43.705 -13.703 1
1 326 . 17 1 1 A 31 31 GLN N N 31 120.036 128.052 -8.016 1
1 328 . 17 1 1 A 32 32 GLN H H 32 7.520 8.607 -1.087 1
1 329 . 17 1 1 A 32 32 GLN HA H 32 4.905 4.648 0.257 1
1 336 . 17 1 1 A 32 32 GLN C C 32 176.112 175.886 0.226 1
1 337 . 17 1 1 A 32 32 GLN CA C 32 56.211 55.460 0.751 1
1 338 . 17 1 1 A 32 32 GLN CB C 32 30.863 31.167 -0.304 1
1 340 . 17 1 1 A 32 32 GLN N N 32 123.146 124.556 -1.410 1
1 342 . 17 1 1 A 33 33 THR H H 33 8.533 8.427 0.106 1
1 343 . 17 1 1 A 33 33 THR HA H 33 4.621 4.836 -0.215 1
1 348 . 17 1 1 A 33 33 THR C C 33 173.112 173.805 -0.693 1
1 349 . 17 1 1 A 33 33 THR CA C 33 61.506 58.801 2.705 1
1 350 . 17 1 1 A 33 33 THR CB C 33 71.605 35.364 36.241 1
1 352 . 17 1 1 A 33 33 THR N N 33 118.233 120.818 -2.585 1
1 353 . 17 1 1 A 34 34 GLU H H 34 8.711 8.631 0.080 1
1 354 . 17 1 1 A 34 34 GLU HA H 34 4.939 5.269 -0.330 1
1 359 . 17 1 1 A 34 34 GLU C C 34 175.108 174.965 0.143 1
1 360 . 17 1 1 A 34 34 GLU CA C 34 55.553 57.073 -1.520 1
1 361 . 17 1 1 A 34 34 GLU CB C 34 31.950 66.705 -34.755 1
1 363 . 17 1 1 A 34 34 GLU N N 34 124.692 117.776 6.916 1
1 364 . 17 1 1 A 35 35 ILE H H 35 9.115 9.154 -0.039 1
1 375 . 17 1 1 A 35 35 ILE C C 35 174.282 174.413 -0.131 1
1 376 . 17 1 1 A 35 35 ILE CA C 35 59.057 47.333 11.724 1
1 381 . 17 1 1 A 35 35 ILE N N 35 127.113 112.423 14.690 1
1 382 . 17 1 1 A 36 36 THR H H 36 8.545 8.145 0.400 1
1 383 . 17 1 1 A 36 36 THR HA H 36 4.772 4.630 0.142 1
1 388 . 17 1 1 A 36 36 THR C C 36 174.054 175.965 -1.911 1
1 389 . 17 1 1 A 36 36 THR CA C 36 62.257 53.834 8.423 1
1 390 . 17 1 1 A 36 36 THR CB C 36 68.948 39.806 29.142 1
1 392 . 17 1 1 A 36 36 THR N N 36 123.057 117.204 5.853 1
1 393 . 17 1 1 A 37 37 LEU H H 37 9.161 7.258 1.903 1
1 394 . 17 1 1 A 37 37 LEU HA H 37 4.503 4.496 0.007 1
1 404 . 17 1 1 A 37 37 LEU C C 37 175.047 175.879 -0.832 1
1 405 . 17 1 1 A 37 37 LEU CA C 37 52.646 54.398 -1.752 1
1 406 . 17 1 1 A 37 37 LEU CB C 37 45.951 43.568 2.383 1
1 410 . 17 1 1 A 37 37 LEU N N 37 128.195 122.682 5.513 1
1 411 . 17 1 1 A 38 38 ARG H H 38 8.258 8.755 -0.497 1
1 412 . 17 1 1 A 38 38 ARG HA H 38 4.556 5.210 -0.654 1
1 420 . 17 1 1 A 38 38 ARG C C 38 175.726 176.478 -0.752 1
1 421 . 17 1 1 A 38 38 ARG CA C 38 55.701 55.208 0.493 1
1 422 . 17 1 1 A 38 38 ARG CB C 38 29.601 31.547 -1.946 1
1 425 . 17 1 1 A 38 38 ARG N N 38 122.992 121.312 1.680 1
1 427 . 17 1 1 A 39 39 VAL H H 39 8.635 9.176 -0.541 1
1 428 . 17 1 1 A 39 39 VAL HA H 39 4.358 3.559 0.799 1
1 436 . 17 1 1 A 39 39 VAL C C 39 172.241 178.828 -6.587 1
1 437 . 17 1 1 A 39 39 VAL CA C 39 58.334 65.059 -6.725 1
1 438 . 17 1 1 A 39 39 VAL CB C 39 35.214 37.752 -2.538 1
1 441 . 17 1 1 A 39 39 VAL N N 39 118.388 120.884 -2.496 1
1 442 . 17 1 1 A 40 40 SER H H 40 6.388 8.642 -2.254 1
1 446 . 17 1 1 A 40 40 SER C C 40 175.046 176.579 -1.533 1
1 447 . 17 1 1 A 40 40 SER CA C 40 56.216 47.316 8.900 1
1 449 . 17 1 1 A 40 40 SER N N 40 108.799 108.671 0.128 1
1 450 . 17 1 1 A 41 41 GLY H H 41 9.085 8.017 1.068 1
1 451 . 17 1 1 A 41 41 GLY HA2 H 41 3.850 3.375 0.475 1
1 452 . 17 1 1 A 41 41 GLY HA3 H 41 4.321 3.622 0.699 1
1 453 . 17 1 1 A 41 41 GLY C C 41 173.137 175.773 -2.636 1
1 454 . 17 1 1 A 41 41 GLY CA C 41 47.346 46.565 0.781 1
1 455 . 17 1 1 A 41 41 GLY N N 41 107.767 109.453 -1.686 1
1 456 . 17 1 1 A 42 42 ASP H H 42 7.994 7.479 0.515 1
1 457 . 17 1 1 A 42 42 ASP HA H 42 4.498 3.582 0.916 1
1 460 . 17 1 1 A 42 42 ASP C C 42 175.609 178.049 -2.440 1
1 461 . 17 1 1 A 42 42 ASP CA C 42 53.241 65.916 -12.675 1
1 462 . 17 1 1 A 42 42 ASP CB C 42 40.331 31.582 8.749 1
1 463 . 17 1 1 A 42 42 ASP N N 42 112.956 121.804 -8.848 1
1 464 . 17 1 1 A 43 43 LEU H H 43 7.431 7.980 -0.549 1
1 465 . 17 1 1 A 43 43 LEU HA H 43 4.210 3.695 0.515 1
1 475 . 17 1 1 A 43 43 LEU C C 43 175.552 178.203 -2.651 1
1 476 . 17 1 1 A 43 43 LEU CA C 43 55.199 58.092 -2.893 1
1 477 . 17 1 1 A 43 43 LEU CB C 43 42.398 32.061 10.337 1
1 481 . 17 1 1 A 43 43 LEU N N 43 123.293 117.586 5.707 1
1 482 . 17 1 1 A 44 44 HIS H H 44 8.405 7.963 0.442 1
1 483 . 17 1 1 A 44 44 HIS HA H 44 5.154 3.925 1.229 1
1 488 . 17 1 1 A 44 44 HIS C C 44 177.511 178.874 -1.363 1
1 489 . 17 1 1 A 44 44 HIS CA C 44 54.692 57.461 -2.769 1
1 490 . 17 1 1 A 44 44 HIS CB C 44 30.868 41.331 -10.463 1
1 493 . 17 1 1 A 44 44 HIS N N 44 121.975 121.463 0.512 1
1 494 . 17 1 1 A 45 45 ILE H H 45 8.628 7.593 1.035 1
1 495 . 17 1 1 A 45 45 ILE HA H 45 3.445 3.917 -0.472 1
1 505 . 17 1 1 A 45 45 ILE C C 45 179.116 178.836 0.280 1
1 506 . 17 1 1 A 45 45 ILE CA C 45 62.585 59.086 3.499 1
1 507 . 17 1 1 A 45 45 ILE CB C 45 35.492 31.513 3.979 1
1 511 . 17 1 1 A 45 45 ILE N N 45 124.304 119.488 4.816 1
1 512 . 17 1 1 A 46 46 GLY H H 46 9.792 7.315 2.477 1
1 515 . 17 1 1 A 46 46 GLY C C 46 175.742 178.972 -3.230 1
1 516 . 17 1 1 A 46 46 GLY CA C 46 46.812 57.972 -11.160 1
1 517 . 17 1 1 A 46 46 GLY N N 46 106.610 120.273 -13.663 1
1 518 . 17 1 1 A 47 47 GLY H H 47 6.761 7.952 -1.191 1
1 521 . 17 1 1 A 47 47 GLY C C 47 176.182 178.289 -2.107 1
1 522 . 17 1 1 A 47 47 GLY CA C 47 46.819 66.742 -19.923 1
1 523 . 17 1 1 A 47 47 GLY N N 47 109.580 117.361 -7.781 1
1 524 . 17 1 1 A 48 48 VAL H H 48 7.669 7.998 -0.329 1
1 525 . 17 1 1 A 48 48 VAL HA H 48 3.083 3.943 -0.860 1
1 533 . 17 1 1 A 48 48 VAL C C 48 176.849 178.993 -2.144 1
1 534 . 17 1 1 A 48 48 VAL CA C 48 66.775 58.905 7.870 1
1 535 . 17 1 1 A 48 48 VAL CB C 48 30.944 29.210 1.734 1
1 538 . 17 1 1 A 48 48 VAL N N 48 123.461 119.826 3.635 1
1 539 . 17 1 1 A 49 49 MET H H 49 7.632 7.745 -0.113 1
1 540 . 17 1 1 A 49 49 MET HA H 49 3.143 4.061 -0.918 1
1 548 . 17 1 1 A 49 49 MET C C 49 176.774 178.282 -1.508 1
1 549 . 17 1 1 A 49 49 MET CA C 49 59.972 58.888 1.084 1
1 550 . 17 1 1 A 49 49 MET CB C 49 33.142 28.825 4.317 1
1 553 . 17 1 1 A 49 49 MET N N 49 115.691 119.013 -3.322 1
1 554 . 17 1 1 A 50 50 LEU H H 50 7.535 7.678 -0.143 1
1 555 . 17 1 1 A 50 50 LEU HA H 50 3.821 4.507 -0.686 1
1 565 . 17 1 1 A 50 50 LEU C C 50 179.001 175.409 3.592 1
1 566 . 17 1 1 A 50 50 LEU CA C 50 57.910 55.949 1.961 1
1 567 . 17 1 1 A 50 50 LEU CB C 50 41.821 32.929 8.892 1
1 571 . 17 1 1 A 50 50 LEU N N 50 117.445 117.272 0.173 1
1 572 . 17 1 1 A 51 51 LYS H H 51 7.447 7.767 -0.320 1
1 573 . 17 1 1 A 51 51 LYS HA H 51 3.880 4.284 -0.404 1
1 582 . 17 1 1 A 51 51 LYS C C 51 178.975 173.960 5.015 1
1 583 . 17 1 1 A 51 51 LYS CA C 51 59.003 54.297 4.706 1
1 584 . 17 1 1 A 51 51 LYS CB C 51 32.890 36.768 -3.878 1
1 588 . 17 1 1 A 51 51 LYS N N 51 118.306 115.986 2.320 1
1 589 . 17 1 1 A 52 52 LEU H H 52 7.547 7.233 0.314 1
1 590 . 17 1 1 A 52 52 LEU HA H 52 3.523 4.599 -1.076 1
1 600 . 17 1 1 A 52 52 LEU C C 52 177.676 175.278 2.398 1
1 601 . 17 1 1 A 52 52 LEU CA C 52 58.038 60.607 -2.569 1
1 602 . 17 1 1 A 52 52 LEU CB C 52 41.660 40.521 1.139 1
1 606 . 17 1 1 A 52 52 LEU N N 52 119.198 119.137 0.061 1
1 607 . 17 1 1 A 53 53 VAL H H 53 7.368 8.817 -1.449 1
1 608 . 17 1 1 A 53 53 VAL HA H 53 2.469 4.847 -2.378 1
1 616 . 17 1 1 A 53 53 VAL C C 53 179.189 176.324 2.865 1
1 617 . 17 1 1 A 53 53 VAL CA C 53 66.706 51.595 15.111 1
1 618 . 17 1 1 A 53 53 VAL CB C 53 31.343 19.606 11.737 1
1 621 . 17 1 1 A 53 53 VAL N N 53 117.879 130.342 -12.463 1
1 622 . 17 1 1 A 54 54 GLU H H 54 7.966 7.930 0.036 1
1 623 . 17 1 1 A 54 54 GLU HA H 54 3.865 4.804 -0.939 1
1 628 . 17 1 1 A 54 54 GLU C C 54 178.593 174.178 4.415 1
1 629 . 17 1 1 A 54 54 GLU CA C 54 58.935 54.429 4.506 1
1 630 . 17 1 1 A 54 54 GLU CB C 54 29.772 31.588 -1.816 1
1 632 . 17 1 1 A 54 54 GLU N N 54 119.295 114.939 4.356 1
1 633 . 17 1 1 A 55 55 GLN H H 55 7.651 8.855 -1.204 1
1 634 . 17 1 1 A 55 55 GLN HA H 55 4.005 4.158 -0.153 1
1 641 . 17 1 1 A 55 55 GLN C C 55 177.512 175.596 1.916 1
1 642 . 17 1 1 A 55 55 GLN CA C 55 57.362 55.188 2.174 1
1 643 . 17 1 1 A 55 55 GLN CB C 55 28.938 39.125 -10.187 1
1 645 . 17 1 1 A 55 55 GLN N N 55 116.036 118.499 -2.463 1
1 647 . 17 1 1 A 56 56 MET H H 56 7.691 8.444 -0.753 1
1 648 . 17 1 1 A 56 56 MET HA H 56 4.316 4.855 -0.539 1
1 656 . 17 1 1 A 56 56 MET C C 56 176.572 177.099 -0.527 1
1 657 . 17 1 1 A 56 56 MET CA C 56 56.492 58.838 -2.346 1
1 658 . 17 1 1 A 56 56 MET CB C 56 32.901 30.725 2.176 1
1 661 . 17 1 1 A 56 56 MET N N 56 117.664 118.651 -0.987 1
1 662 . 17 1 1 A 57 57 ASN H H 57 7.816 8.666 -0.850 1
1 663 . 17 1 1 A 57 57 ASN HA H 57 4.495 4.474 0.021 1
1 668 . 17 1 1 A 57 57 ASN C C 57 174.613 173.689 0.924 1
1 669 . 17 1 1 A 57 57 ASN CA C 57 53.813 60.803 -6.990 1
1 670 . 17 1 1 A 57 57 ASN CB C 57 37.713 62.799 -25.086 1
1 671 . 17 1 1 A 57 57 ASN N N 57 115.864 115.346 0.518 1
1 673 . 17 1 1 A 58 58 ILE H H 58 8.391 8.508 -0.117 1
1 674 . 17 1 1 A 58 58 ILE HA H 58 4.284 4.871 -0.587 1
1 684 . 17 1 1 A 58 58 ILE C C 58 175.277 174.832 0.445 1
1 685 . 17 1 1 A 58 58 ILE CA C 58 60.631 53.526 7.105 1
1 686 . 17 1 1 A 58 58 ILE CB C 58 41.470 40.885 0.585 1
1 690 . 17 1 1 A 58 58 ILE N N 58 117.760 122.205 -4.445 1
1 691 . 17 1 1 A 59 59 ALA H H 59 8.438 8.255 0.183 1
1 692 . 17 1 1 A 59 59 ALA HA H 59 4.535 5.301 -0.766 1
1 696 . 17 1 1 A 59 59 ALA C C 59 175.554 173.560 1.994 1
1 697 . 17 1 1 A 59 59 ALA CA C 59 51.604 56.412 -4.808 1
1 698 . 17 1 1 A 59 59 ALA CB C 59 17.256 41.746 -24.490 1
1 699 . 17 1 1 A 59 59 ALA N N 59 129.371 122.385 6.986 1
1 700 . 17 1 1 A 60 60 GLN H H 60 7.498 8.332 -0.834 1
1 701 . 17 1 1 A 60 60 GLN HA H 60 4.291 5.208 -0.917 1
1 708 . 17 1 1 A 60 60 GLN C C 60 172.908 175.326 -2.418 1
1 709 . 17 1 1 A 60 60 GLN CA C 60 53.492 51.650 1.842 1
1 710 . 17 1 1 A 60 60 GLN CB C 60 30.340 23.695 6.645 1
1 712 . 17 1 1 A 60 60 GLN N N 60 120.550 121.878 -1.328 1
1 714 . 17 1 1 A 61 61 ASP H H 61 8.086 8.880 -0.794 1
1 715 . 17 1 1 A 61 61 ASP HA H 61 4.622 5.385 -0.763 1
1 718 . 17 1 1 A 61 61 ASP C C 61 177.529 175.149 2.380 1
1 719 . 17 1 1 A 61 61 ASP CA C 61 53.520 53.953 -0.433 1
1 720 . 17 1 1 A 61 61 ASP CB C 61 40.493 44.972 -4.479 1
1 721 . 17 1 1 A 61 61 ASP N N 61 118.225 121.625 -3.400 1
1 722 . 17 1 1 A 62 62 TRP H H 62 8.999 9.541 -0.542 1
1 723 . 17 1 1 A 62 62 TRP HA H 62 4.578 5.452 -0.874 1
1 732 . 17 1 1 A 62 62 TRP C C 62 178.609 174.387 4.222 1
1 733 . 17 1 1 A 62 62 TRP CA C 62 57.200 54.328 2.872 1
1 734 . 17 1 1 A 62 62 TRP CB C 62 29.155 31.891 -2.736 1
1 740 . 17 1 1 A 62 62 TRP N N 62 129.134 128.029 1.105 1
1 742 . 17 1 1 A 63 63 SER H H 63 8.756 8.267 0.489 1
1 743 . 17 1 1 A 63 63 SER HA H 63 4.127 4.923 -0.796 1
1 746 . 17 1 1 A 63 63 SER C C 63 175.119 175.985 -0.866 1
1 747 . 17 1 1 A 63 63 SER CA C 63 62.933 55.988 6.945 1
1 748 . 17 1 1 A 63 63 SER CB C 63 63.120 29.876 33.244 1
1 749 . 17 1 1 A 63 63 SER N N 63 119.231 130.058 -10.827 1
1 750 . 17 1 1 A 64 64 ASP H H 64 9.095 8.967 0.128 1
1 751 . 17 1 1 A 64 64 ASP HA H 64 4.876 4.119 0.757 1
1 754 . 17 1 1 A 64 64 ASP C C 64 177.267 177.480 -0.213 1
1 755 . 17 1 1 A 64 64 ASP CA C 64 54.157 59.362 -5.205 1
1 756 . 17 1 1 A 64 64 ASP CB C 64 43.116 29.814 13.302 1
1 757 . 17 1 1 A 64 64 ASP N N 64 120.137 127.077 -6.940 1
1 758 . 17 1 1 A 65 65 TYR H H 65 7.991 8.281 -0.290 1
1 759 . 17 1 1 A 65 65 TYR HA H 65 4.151 4.162 -0.011 1
1 766 . 17 1 1 A 65 65 TYR C C 65 175.746 176.115 -0.369 1
1 767 . 17 1 1 A 65 65 TYR CA C 65 59.053 56.625 2.428 1
1 768 . 17 1 1 A 65 65 TYR CB C 65 38.836 28.803 10.033 1
1 773 . 17 1 1 A 65 65 TYR N N 65 121.458 116.945 4.513 1
1 774 . 17 1 1 A 66 66 ALA H H 66 8.698 6.885 1.813 1
1 775 . 17 1 1 A 66 66 ALA HA H 66 4.794 4.052 0.742 1
1 779 . 17 1 1 A 66 66 ALA C C 66 175.126 175.261 -0.135 1
1 780 . 17 1 1 A 66 66 ALA CA C 66 51.166 55.541 -4.375 1
1 781 . 17 1 1 A 66 66 ALA CB C 66 23.771 34.545 -10.774 1
1 782 . 17 1 1 A 66 66 ALA N N 66 122.944 116.472 6.472 1
1 783 . 17 1 1 A 67 67 LEU H H 67 9.131 7.947 1.184 1
1 784 . 17 1 1 A 67 67 LEU HA H 67 5.498 2.974 2.524 1
1 794 . 17 1 1 A 67 67 LEU C C 67 174.489 174.421 0.068 1
1 795 . 17 1 1 A 67 67 LEU CA C 67 53.987 56.235 -2.248 1
1 796 . 17 1 1 A 67 67 LEU CB C 67 44.080 28.567 15.513 1
1 800 . 17 1 1 A 67 67 LEU N N 67 118.646 116.406 2.240 1
1 801 . 17 1 1 A 68 68 TRP H H 68 9.934 6.189 3.745 1
1 802 . 17 1 1 A 68 68 TRP HA H 68 4.680 4.773 -0.093 1
1 811 . 17 1 1 A 68 68 TRP C C 68 174.148 172.237 1.911 1
1 812 . 17 1 1 A 68 68 TRP CA C 68 55.276 57.049 -1.773 1
1 813 . 17 1 1 A 68 68 TRP CB C 68 30.222 30.956 -0.734 1
1 819 . 17 1 1 A 68 68 TRP N N 68 126.978 114.069 12.909 1
1 821 . 17 1 1 A 69 69 TRP H H 69 8.507 8.797 -0.290 1
1 822 . 17 1 1 A 69 69 TRP HA H 69 5.060 5.571 -0.511 1
1 831 . 17 1 1 A 69 69 TRP C C 69 175.837 176.026 -0.189 1
1 832 . 17 1 1 A 69 69 TRP CA C 69 52.520 56.374 -3.854 1
1 833 . 17 1 1 A 69 69 TRP CB C 69 30.500 31.229 -0.729 1
1 839 . 17 1 1 A 69 69 TRP N N 69 129.756 122.967 6.789 1
1 841 . 17 1 1 A 70 70 GLU H H 70 8.917 9.288 -0.371 1
1 842 . 17 1 1 A 70 70 GLU HA H 70 3.817 4.403 -0.586 1
1 847 . 17 1 1 A 70 70 GLU C C 70 179.449 177.119 2.330 1
1 848 . 17 1 1 A 70 70 GLU CA C 70 60.208 54.789 5.419 1
1 849 . 17 1 1 A 70 70 GLU CB C 70 29.937 40.684 -10.747 1
1 851 . 17 1 1 A 70 70 GLU N N 70 126.517 126.764 -0.247 1
1 852 . 17 1 1 A 71 71 GLN H H 71 8.515 8.097 0.418 1
1 853 . 17 1 1 A 71 71 GLN HA H 71 3.782 4.797 -1.015 1
1 860 . 17 1 1 A 71 71 GLN C C 71 177.266 176.993 0.273 1
1 861 . 17 1 1 A 71 71 GLN CA C 71 61.006 54.282 6.724 1
1 862 . 17 1 1 A 71 71 GLN CB C 71 27.451 42.556 -15.105 1
1 864 . 17 1 1 A 71 71 GLN N N 71 114.822 125.879 -11.057 1
1 866 . 17 1 1 A 72 72 LYS H H 72 5.086 7.428 -2.342 1
1 867 . 17 1 1 A 72 72 LYS HA H 72 3.719 4.474 -0.755 1
1 876 . 17 1 1 A 72 72 LYS C C 72 174.268 177.403 -3.135 1
1 877 . 17 1 1 A 72 72 LYS CA C 72 53.864 54.933 -1.069 1
1 878 . 17 1 1 A 72 72 LYS CB C 72 33.242 29.806 3.436 1
1 882 . 17 1 1 A 72 72 LYS N N 72 112.499 120.159 -7.660 1
1 883 . 17 1 1 A 73 73 ARG H H 73 7.402 8.010 -0.608 1
1 884 . 17 1 1 A 73 73 ARG HA H 73 2.800 4.185 -1.385 1
1 892 . 17 1 1 A 73 73 ARG C C 73 173.935 176.775 -2.840 1
1 893 . 17 1 1 A 73 73 ARG CA C 73 56.187 65.079 -8.892 1
1 894 . 17 1 1 A 73 73 ARG CB C 73 26.602 68.940 -42.338 1
1 897 . 17 1 1 A 73 73 ARG N N 73 118.477 113.320 5.157 1
1 899 . 17 1 1 A 74 74 CYS H H 74 6.242 7.962 -1.720 1
1 900 . 17 1 1 A 74 74 CYS HA H 74 4.671 4.378 0.293 1
1 903 . 17 1 1 A 74 74 CYS C C 74 171.332 175.832 -4.500 1
1 904 . 17 1 1 A 74 74 CYS CA C 74 54.443 57.706 -3.263 1
1 905 . 17 1 1 A 74 74 CYS CB C 74 31.599 30.571 1.028 1
1 906 . 17 1 1 A 74 74 CYS N N 74 110.705 121.880 -11.175 1
1 907 . 17 1 1 A 75 75 TRP H H 75 8.567 7.838 0.729 1
1 908 . 17 1 1 A 75 75 TRP HA H 75 5.414 4.611 0.803 1
1 917 . 17 1 1 A 75 75 TRP C C 75 177.638 176.451 1.187 1
1 918 . 17 1 1 A 75 75 TRP CA C 75 55.720 57.186 -1.466 1
1 919 . 17 1 1 A 75 75 TRP CB C 75 30.966 30.396 0.570 1
1 925 . 17 1 1 A 75 75 TRP N N 75 120.876 118.950 1.926 1
1 927 . 17 1 1 A 76 76 LEU H H 76 9.181 8.774 0.407 1
1 928 . 17 1 1 A 76 76 LEU HA H 76 4.737 5.006 -0.269 1
1 938 . 17 1 1 A 76 76 LEU C C 76 175.745 176.315 -0.570 1
1 939 . 17 1 1 A 76 76 LEU CA C 76 53.729 60.462 -6.733 1
1 940 . 17 1 1 A 76 76 LEU CB C 76 40.810 71.439 -30.629 1
1 944 . 17 1 1 A 76 76 LEU N N 76 125.488 114.923 10.565 1
1 945 . 17 1 1 A 77 77 LEU H H 77 7.711 9.133 -1.422 1
1 946 . 17 1 1 A 77 77 LEU HA H 77 4.416 4.041 0.375 1
1 956 . 17 1 1 A 77 77 LEU C C 77 178.257 178.864 -0.607 1
1 957 . 17 1 1 A 77 77 LEU CA C 77 54.539 58.118 -3.579 1
1 958 . 17 1 1 A 77 77 LEU CB C 77 42.566 41.549 1.017 1
1 962 . 17 1 1 A 77 77 LEU N N 77 119.493 123.299 -3.806 1
1 963 . 17 1 1 A 78 78 LYS H H 78 8.173 8.367 -0.194 1
1 964 . 17 1 1 A 78 78 LYS HA H 78 4.380 4.438 -0.058 1
1 973 . 17 1 1 A 78 78 LYS C C 78 177.029 178.798 -1.769 1
1 974 . 17 1 1 A 78 78 LYS CA C 78 54.048 57.102 -3.054 1
1 975 . 17 1 1 A 78 78 LYS CB C 78 28.755 40.871 -12.116 1
1 979 . 17 1 1 A 78 78 LYS N N 78 121.730 119.776 1.954 1
1 980 . 17 1 1 A 79 79 THR H H 79 7.812 7.563 0.249 1
1 981 . 17 1 1 A 79 79 THR HA H 79 3.677 4.134 -0.457 1
1 986 . 17 1 1 A 79 79 THR C C 79 175.193 179.276 -4.083 1
1 987 . 17 1 1 A 79 79 THR CA C 79 64.890 58.858 6.032 1
1 988 . 17 1 1 A 79 79 THR CB C 79 68.447 31.962 36.485 1
1 990 . 17 1 1 A 79 79 THR N N 79 114.142 119.136 -4.994 1
1 991 . 17 1 1 A 80 80 HIS H H 80 8.929 8.022 0.907 1
1 992 . 17 1 1 A 80 80 HIS HA H 80 4.759 4.686 0.073 1
1 995 . 17 1 1 A 80 80 HIS C C 80 175.622 175.334 0.288 1
1 996 . 17 1 1 A 80 80 HIS CA C 80 56.078 60.302 -4.224 1
1 997 . 17 1 1 A 80 80 HIS CB C 80 29.927 28.037 1.890 1
1 998 . 17 1 1 A 80 80 HIS N N 80 117.372 116.431 0.941 1
1 999 . 17 1 1 A 81 81 TRP H H 81 8.544 8.486 0.058 1
1 1009 . 17 1 1 A 81 81 TRP C C 81 175.952 174.443 1.509 1
1 1010 . 17 1 1 A 81 81 TRP CA C 81 56.009 45.156 10.853 1
1 1017 . 17 1 1 A 81 81 TRP N N 81 122.512 108.507 14.005 1
1 1019 . 17 1 1 A 82 82 THR H H 82 7.587 7.814 -0.227 1
1 1020 . 17 1 1 A 82 82 THR HA H 82 4.725 3.475 1.250 1
1 1025 . 17 1 1 A 82 82 THR C C 82 176.305 174.626 1.679 1
1 1026 . 17 1 1 A 82 82 THR CA C 82 60.250 61.272 -1.022 1
1 1027 . 17 1 1 A 82 82 THR CB C 82 70.601 31.650 38.951 1
1 1029 . 17 1 1 A 82 82 THR N N 82 109.728 121.996 -12.268 1
1 1030 . 17 1 1 A 83 83 LEU H H 83 8.354 7.829 0.525 1
1 1031 . 17 1 1 A 83 83 LEU HA H 83 3.798 4.020 -0.222 1
1 1040 . 17 1 1 A 83 83 LEU C C 83 179.461 176.724 2.737 1
1 1041 . 17 1 1 A 83 83 LEU CA C 83 59.442 53.109 6.333 1
1 1042 . 17 1 1 A 83 83 LEU CB C 83 40.758 29.984 10.774 1
1 1045 . 17 1 1 A 83 83 LEU N N 83 122.120 126.649 -4.529 1
1 1046 . 17 1 1 A 84 84 ASP H H 84 8.985 7.979 1.006 1
1 1047 . 17 1 1 A 84 84 ASP HA H 84 4.427 3.968 0.459 1
1 1050 . 17 1 1 A 84 84 ASP C C 84 179.464 178.466 0.998 1
1 1051 . 17 1 1 A 84 84 ASP CA C 84 57.459 54.916 2.543 1
1 1052 . 17 1 1 A 84 84 ASP CB C 84 40.243 18.082 22.161 1
1 1053 . 17 1 1 A 84 84 ASP N N 84 118.020 120.945 -2.925 1
1 1054 . 17 1 1 A 85 85 LYS H H 85 8.134 7.788 0.346 1
1 1055 . 17 1 1 A 85 85 LYS HA H 85 3.820 4.559 -0.739 1
1 1064 . 17 1 1 A 85 85 LYS C C 85 178.824 176.121 2.703 1
1 1065 . 17 1 1 A 85 85 LYS CA C 85 59.103 54.554 4.549 1
1 1066 . 17 1 1 A 85 85 LYS CB C 85 32.229 40.723 -8.494 1
1 1070 . 17 1 1 A 85 85 LYS N N 85 123.380 117.399 5.981 1
1 1071 . 17 1 1 A 86 86 CYS H H 86 8.083 7.110 0.973 1
1 1072 . 17 1 1 A 86 86 CYS HA H 86 4.439 4.575 -0.136 1
1 1075 . 17 1 1 A 86 86 CYS C C 86 174.621 176.625 -2.004 1
1 1076 . 17 1 1 A 86 86 CYS CA C 86 61.800 51.144 10.656 1
1 1077 . 17 1 1 A 86 86 CYS CB C 86 28.700 20.036 8.664 1
1 1078 . 17 1 1 A 86 86 CYS N N 86 113.734 121.808 -8.074 1
1 1079 . 17 1 1 A 87 87 GLY H H 87 7.904 8.877 -0.973 1
1 1082 . 17 1 1 A 87 87 GLY C C 87 174.471 174.424 0.047 1
1 1083 . 17 1 1 A 87 87 GLY CA C 87 45.434 53.969 -8.535 1
1 1084 . 17 1 1 A 87 87 GLY N N 87 107.243 122.520 -15.277 1
1 1085 . 17 1 1 A 88 88 VAL H H 88 7.635 8.955 -1.320 1
1 1086 . 17 1 1 A 88 88 VAL HA H 88 3.165 5.247 -2.082 1
1 1094 . 17 1 1 A 88 88 VAL C C 88 173.926 174.142 -0.216 1
1 1095 . 17 1 1 A 88 88 VAL CA C 88 63.281 53.575 9.706 1
1 1096 . 17 1 1 A 88 88 VAL CB C 88 31.892 45.665 -13.773 1
1 1099 . 17 1 1 A 88 88 VAL N N 88 122.351 128.804 -6.453 1
1 1100 . 17 1 1 A 89 89 GLN H H 89 7.651 9.548 -1.897 1
1 1101 . 17 1 1 A 89 89 GLN HA H 89 3.946 5.311 -1.365 1
1 1108 . 17 1 1 A 89 89 GLN C C 89 175.629 174.688 0.941 1
1 1109 . 17 1 1 A 89 89 GLN CA C 89 53.861 52.974 0.887 1
1 1110 . 17 1 1 A 89 89 GLN CB C 89 31.010 45.428 -14.418 1
1 1112 . 17 1 1 A 89 89 GLN N N 89 125.820 128.968 -3.148 1
1 1114 . 17 1 1 A 90 90 ALA H H 90 7.025 9.623 -2.598 1
1 1115 . 17 1 1 A 90 90 ALA HA H 90 3.873 5.566 -1.693 1
1 1119 . 17 1 1 A 90 90 ALA C C 90 177.042 173.961 3.081 1
1 1120 . 17 1 1 A 90 90 ALA CA C 90 54.869 55.217 -0.348 1
1 1121 . 17 1 1 A 90 90 ALA CB C 90 18.818 41.488 -22.670 1
1 1122 . 17 1 1 A 90 90 ALA N N 90 118.713 127.851 -9.138 1
1 1123 . 17 1 1 A 91 91 ASP H H 91 8.310 8.803 -0.493 1
1 1124 . 17 1 1 A 91 91 ASP HA H 91 4.415 4.808 -0.393 1
1 1127 . 17 1 1 A 91 91 ASP C C 91 176.371 171.846 4.525 1
1 1128 . 17 1 1 A 91 91 ASP CA C 91 53.133 58.228 -5.095 1
1 1129 . 17 1 1 A 91 91 ASP CB C 91 39.673 72.733 -33.060 1
1 1130 . 17 1 1 A 91 91 ASP N N 91 113.050 121.566 -8.516 1
1 1132 . 17 1 1 A 92 92 ALA HA H 92 4.237 4.579 -0.342 1
1 1136 . 17 1 1 A 92 92 ALA C C 92 176.536 176.399 0.137 1
1 1137 . 17 1 1 A 92 92 ALA CA C 92 53.721 62.903 -9.182 1
1 1138 . 17 1 1 A 92 92 ALA CB C 92 19.774 32.351 -12.577 1
1 1139 . 17 1 1 A 92 92 ALA N N 92 124.114 140.958 -16.844 1
1 1140 . 17 1 1 A 93 93 ASN H H 93 9.478 8.267 1.211 1
1 1141 . 17 1 1 A 93 93 ASN HA H 93 5.141 3.896 1.245 1
1 1146 . 17 1 1 A 93 93 ASN C C 93 173.906 175.931 -2.025 1
1 1147 . 17 1 1 A 93 93 ASN CA C 93 52.433 54.971 -2.538 1
1 1148 . 17 1 1 A 93 93 ASN CB C 93 38.547 27.991 10.556 1
1 1149 . 17 1 1 A 93 93 ASN N N 93 123.235 117.721 5.514 1
1 1151 . 17 1 1 A 94 94 LEU H H 94 8.675 7.561 1.114 1
1 1152 . 17 1 1 A 94 94 LEU HA H 94 5.429 4.263 1.166 1
1 1162 . 17 1 1 A 94 94 LEU C C 94 175.486 174.546 0.940 1
1 1163 . 17 1 1 A 94 94 LEU CA C 94 53.003 57.681 -4.678 1
1 1164 . 17 1 1 A 94 94 LEU CB C 94 44.739 30.708 14.031 1
1 1168 . 17 1 1 A 94 94 LEU N N 94 122.901 121.671 1.230 1
1 1169 . 17 1 1 A 95 95 LEU H H 95 9.412 7.905 1.507 1
1 1170 . 17 1 1 A 95 95 LEU HA H 95 5.388 4.125 1.263 1
1 1180 . 17 1 1 A 95 95 LEU C C 95 174.403 175.392 -0.989 1
1 1181 . 17 1 1 A 95 95 LEU CA C 95 53.155 56.552 -3.397 1
1 1182 . 17 1 1 A 95 95 LEU CB C 95 46.432 32.161 14.271 1
1 1186 . 17 1 1 A 95 95 LEU N N 95 126.034 126.748 -0.714 1
1 3 . 18 1 1 A 1 1 GLY C C 1 173.950 174.665 -0.715 1
1 4 . 18 1 1 A 1 1 GLY CA C 1 45.289 53.864 -8.575 1
1 5 . 18 1 1 A 2 2 ILE H H 2 8.026 9.022 -0.996 1
1 6 . 18 1 1 A 2 2 ILE HA H 2 4.518 5.082 -0.564 1
1 16 . 18 1 1 A 2 2 ILE CA C 2 54.315 53.624 0.691 1
1 17 . 18 1 1 A 2 2 ILE CB C 2 41.381 43.949 -2.568 1
1 21 . 18 1 1 A 2 2 ILE N N 2 120.237 129.415 -9.178 1
1 22 . 18 1 1 A 3 3 ASP H H 3 8.212 9.149 -0.937 1
1 25 . 18 1 1 A 3 3 ASP CB C 3 41.116 64.652 -23.536 1
1 26 . 18 1 1 A 3 3 ASP N N 3 126.816 124.522 2.294 1
1 27 . 18 1 1 A 4 4 PRO HA H 4 3.818 4.694 -0.876 1
1 28 . 18 1 1 A 4 4 PRO C C 4 176.930 174.386 2.544 1
1 29 . 18 1 1 A 4 4 PRO CA C 4 63.589 57.993 5.596 1
1 30 . 18 1 1 A 5 5 PHE H H 5 8.214 7.903 0.311 1
1 33 . 18 1 1 A 5 5 PHE C C 5 176.204 174.054 2.150 1
1 34 . 18 1 1 A 5 5 PHE CA C 5 58.089 45.995 12.094 1
1 36 . 18 1 1 A 5 5 PHE N N 5 118.317 109.570 8.747 1
1 37 . 18 1 1 A 6 6 THR H H 6 7.789 8.352 -0.563 1
1 38 . 18 1 1 A 6 6 THR HA H 6 4.268 4.580 -0.312 1
1 43 . 18 1 1 A 6 6 THR C C 6 174.096 175.551 -1.455 1
1 44 . 18 1 1 A 6 6 THR CA C 6 62.228 53.780 8.448 1
1 45 . 18 1 1 A 6 6 THR CB C 6 69.842 40.383 29.459 1
1 47 . 18 1 1 A 6 6 THR N N 6 114.242 120.658 -6.416 1
1 48 . 18 1 1 A 7 7 MET H H 7 8.077 8.539 -0.462 1
1 49 . 18 1 1 A 7 7 MET HA H 7 4.721 4.334 0.387 1
1 50 . 18 1 1 A 7 7 MET CA C 7 55.836 55.738 0.098 1
1 51 . 18 1 1 A 7 7 MET N N 7 121.684 125.326 -3.642 1
1 52 . 18 1 1 A 8 8 LEU H H 8 8.043 8.798 -0.755 1
1 53 . 18 1 1 A 8 8 LEU HA H 8 4.322 5.049 -0.727 1
1 60 . 18 1 1 A 8 8 LEU CA C 8 55.142 61.472 -6.330 1
1 63 . 18 1 1 A 8 8 LEU N N 8 122.622 121.887 0.735 1
1 64 . 18 1 1 A 9 9 SER H H 9 8.263 8.907 -0.644 1
1 65 . 18 1 1 A 9 9 SER HA H 9 4.318 4.863 -0.545 1
1 68 . 18 1 1 A 9 9 SER CA C 9 58.256 56.524 1.732 1
1 69 . 18 1 1 A 9 9 SER CB C 9 63.851 66.793 -2.942 1
1 70 . 18 1 1 A 9 9 SER N N 9 116.455 120.382 -3.927 1
1 71 . 18 1 1 A 10 10 SER H H 10 8.268 8.440 -0.172 1
1 72 . 18 1 1 A 10 10 SER HA H 10 4.418 3.910 0.508 1
1 75 . 18 1 1 A 10 10 SER C C 10 175.142 176.309 -1.167 1
1 76 . 18 1 1 A 10 10 SER CA C 10 58.684 53.017 5.667 1
1 77 . 18 1 1 A 10 10 SER CB C 10 63.935 17.560 46.375 1
1 78 . 18 1 1 A 10 10 SER N N 10 117.758 125.479 -7.721 1
1 79 . 18 1 1 A 11 11 GLY H H 11 8.300 7.895 0.405 1
1 82 . 18 1 1 A 11 11 GLY C C 11 176.844 173.999 2.845 1
1 83 . 18 1 1 A 11 11 GLY CA C 11 45.340 57.811 -12.471 1
1 84 . 18 1 1 A 11 11 GLY N N 11 110.621 111.721 -1.100 1
1 85 . 18 1 1 A 12 12 ASP H H 12 8.095 8.299 -0.204 1
1 86 . 18 1 1 A 12 12 ASP HA H 12 4.520 5.679 -1.159 1
1 89 . 18 1 1 A 12 12 ASP C C 12 176.422 173.871 2.551 1
1 90 . 18 1 1 A 12 12 ASP CA C 12 54.331 54.524 -0.193 1
1 91 . 18 1 1 A 12 12 ASP CB C 12 41.101 32.745 8.356 1
1 92 . 18 1 1 A 12 12 ASP N N 12 120.276 122.021 -1.745 1
1 93 . 18 1 1 A 13 13 LEU H H 13 8.259 8.970 -0.711 1
1 94 . 18 1 1 A 13 13 LEU HA H 13 4.326 4.934 -0.608 1
1 104 . 18 1 1 A 13 13 LEU C C 13 177.829 175.033 2.796 1
1 105 . 18 1 1 A 13 13 LEU CA C 13 55.426 55.561 -0.135 1
1 106 . 18 1 1 A 13 13 LEU CB C 13 42.043 30.515 11.528 1
1 110 . 18 1 1 A 13 13 LEU N N 13 122.645 120.021 2.624 1
1 111 . 18 1 1 A 14 14 THR H H 14 8.134 9.234 -1.100 1
1 112 . 18 1 1 A 14 14 THR HA H 14 4.265 5.085 -0.820 1
1 117 . 18 1 1 A 14 14 THR C C 14 174.821 175.287 -0.466 1
1 118 . 18 1 1 A 14 14 THR CA C 14 62.228 53.923 8.305 1
1 119 . 18 1 1 A 14 14 THR CB C 14 69.762 44.116 25.646 1
1 121 . 18 1 1 A 14 14 THR N N 14 114.338 127.471 -13.133 1
1 122 . 18 1 1 A 15 15 SER H H 15 8.181 8.847 -0.666 1
1 123 . 18 1 1 A 15 15 SER HA H 15 4.429 4.624 -0.195 1
1 126 . 18 1 1 A 15 15 SER C C 15 174.213 173.802 0.411 1
1 127 . 18 1 1 A 15 15 SER CA C 15 58.321 61.792 -3.471 1
1 128 . 18 1 1 A 15 15 SER CB C 15 63.826 32.311 31.515 1
1 129 . 18 1 1 A 15 15 SER N N 15 117.846 127.364 -9.518 1
1 130 . 18 1 1 A 16 16 ALA H H 16 8.284 9.784 -1.500 1
1 131 . 18 1 1 A 16 16 ALA HA H 16 4.395 4.718 -0.323 1
1 135 . 18 1 1 A 16 16 ALA C C 16 177.160 175.053 2.107 1
1 136 . 18 1 1 A 16 16 ALA CA C 16 52.623 61.107 -8.484 1
1 137 . 18 1 1 A 16 16 ALA CB C 16 19.390 32.985 -13.595 1
1 138 . 18 1 1 A 16 16 ALA N N 16 126.207 130.913 -4.706 1
1 139 . 18 1 1 A 17 17 SER H H 17 8.035 8.688 -0.653 1
1 140 . 18 1 1 A 17 17 SER HA H 17 4.891 5.219 -0.328 1
1 143 . 18 1 1 A 17 17 SER C C 17 173.472 175.308 -1.836 1
1 144 . 18 1 1 A 17 17 SER CA C 17 57.547 55.994 1.553 1
1 145 . 18 1 1 A 17 17 SER CB C 17 65.420 30.911 34.509 1
1 146 . 18 1 1 A 17 17 SER N N 17 114.521 127.938 -13.417 1
1 147 . 18 1 1 A 18 18 TRP H H 18 8.523 9.194 -0.671 1
1 148 . 18 1 1 A 18 18 TRP HA H 18 4.787 4.852 -0.065 1
1 157 . 18 1 1 A 18 18 TRP C C 18 173.910 174.264 -0.354 1
1 158 . 18 1 1 A 18 18 TRP CA C 18 55.331 62.229 -6.898 1
1 159 . 18 1 1 A 18 18 TRP CB C 18 30.044 32.193 -2.149 1
1 165 . 18 1 1 A 18 18 TRP N N 18 120.348 126.104 -5.756 1
1 167 . 18 1 1 A 19 19 GLU H H 19 8.542 9.216 -0.674 1
1 168 . 18 1 1 A 19 19 GLU HA H 19 4.957 4.883 0.074 1
1 173 . 18 1 1 A 19 19 GLU C C 19 175.089 174.910 0.179 1
1 174 . 18 1 1 A 19 19 GLU CA C 19 55.735 52.414 3.321 1
1 175 . 18 1 1 A 19 19 GLU CB C 19 31.683 41.391 -9.708 1
1 177 . 18 1 1 A 19 19 GLU N N 19 117.964 128.662 -10.698 1
1 178 . 18 1 1 A 20 20 LEU H H 20 8.813 8.893 -0.080 1
1 179 . 18 1 1 A 20 20 LEU HA H 20 4.794 4.884 -0.090 1
1 189 . 18 1 1 A 20 20 LEU C C 20 174.656 175.214 -0.558 1
1 190 . 18 1 1 A 20 20 LEU CA C 20 53.195 55.579 -2.384 1
1 191 . 18 1 1 A 20 20 LEU CB C 20 46.182 28.674 17.508 1
1 195 . 18 1 1 A 20 20 LEU N N 20 125.925 125.418 0.507 1
1 196 . 18 1 1 A 21 21 VAL H H 21 8.827 8.233 0.594 1
1 197 . 18 1 1 A 21 21 VAL HA H 21 4.499 4.030 0.469 1
1 205 . 18 1 1 A 21 21 VAL C C 21 176.157 178.239 -2.082 1
1 206 . 18 1 1 A 21 21 VAL CA C 21 62.260 53.839 8.421 1
1 207 . 18 1 1 A 21 21 VAL CB C 21 31.627 18.603 13.024 1
1 210 . 18 1 1 A 21 21 VAL N N 21 127.297 127.655 -0.358 1
1 211 . 18 1 1 A 22 22 VAL H H 22 9.178 9.094 0.084 1
1 212 . 18 1 1 A 22 22 VAL HA H 22 4.348 4.422 -0.074 1
1 220 . 18 1 1 A 22 22 VAL C C 22 175.253 175.251 0.002 1
1 221 . 18 1 1 A 22 22 VAL CA C 22 60.925 54.977 5.948 1
1 222 . 18 1 1 A 22 22 VAL CB C 22 34.352 36.972 -2.620 1
1 225 . 18 1 1 A 22 22 VAL N N 22 129.937 116.769 13.168 1
1 226 . 18 1 1 A 23 23 ARG H H 23 8.104 8.263 -0.159 1
1 235 . 18 1 1 A 23 23 ARG C C 23 174.950 174.831 0.119 1
1 236 . 18 1 1 A 23 23 ARG CA C 23 55.516 45.651 9.865 1
1 240 . 18 1 1 A 23 23 ARG N N 23 125.848 107.319 18.529 1
1 242 . 18 1 1 A 24 24 VAL H H 24 9.325 7.770 1.555 1
1 243 . 18 1 1 A 24 24 VAL HA H 24 5.011 3.997 1.014 1
1 251 . 18 1 1 A 24 24 VAL C C 24 175.449 175.149 0.300 1
1 252 . 18 1 1 A 24 24 VAL CA C 24 61.634 58.313 3.321 1
1 253 . 18 1 1 A 24 24 VAL CB C 24 33.928 27.811 6.117 1
1 256 . 18 1 1 A 24 24 VAL N N 24 124.136 115.308 8.828 1
1 257 . 18 1 1 A 25 25 ASP H H 25 8.414 7.848 0.566 1
1 258 . 18 1 1 A 25 25 ASP HA H 25 5.220 4.595 0.625 1
1 261 . 18 1 1 A 25 25 ASP C C 25 176.671 175.628 1.043 1
1 262 . 18 1 1 A 25 25 ASP CA C 25 52.956 55.724 -2.768 1
1 263 . 18 1 1 A 25 25 ASP CB C 25 43.473 29.700 13.773 1
1 264 . 18 1 1 A 25 25 ASP N N 25 126.172 120.924 5.248 1
1 265 . 18 1 1 A 26 26 HIS H H 26 9.152 8.835 0.317 1
1 266 . 18 1 1 A 26 26 HIS HA H 26 4.542 5.677 -1.135 1
1 271 . 18 1 1 A 26 26 HIS C C 26 174.917 174.928 -0.011 1
1 272 . 18 1 1 A 26 26 HIS CA C 26 56.700 54.528 2.172 1
1 273 . 18 1 1 A 26 26 HIS CB C 26 30.185 30.846 -0.661 1
1 276 . 18 1 1 A 26 26 HIS N N 26 124.402 125.690 -1.288 1
1 277 . 18 1 1 A 27 27 ALA H H 27 9.121 9.273 -0.152 1
1 278 . 18 1 1 A 27 27 ALA HA H 27 3.984 4.936 -0.952 1
1 282 . 18 1 1 A 27 27 ALA C C 27 176.927 173.963 2.964 1
1 283 . 18 1 1 A 27 27 ALA CA C 27 53.240 61.963 -8.723 1
1 284 . 18 1 1 A 27 27 ALA CB C 27 17.122 70.274 -53.152 1
1 285 . 18 1 1 A 27 27 ALA N N 27 121.895 118.527 3.368 1
1 286 . 18 1 1 A 28 28 ASN H H 28 8.140 8.876 -0.736 1
1 287 . 18 1 1 A 28 28 ASN HA H 28 4.628 4.681 -0.053 1
1 292 . 18 1 1 A 28 28 ASN C C 28 176.389 175.376 1.013 1
1 293 . 18 1 1 A 28 28 ASN CA C 28 52.466 55.783 -3.317 1
1 294 . 18 1 1 A 28 28 ASN CB C 28 38.624 30.115 8.509 1
1 295 . 18 1 1 A 28 28 ASN N N 28 114.287 125.026 -10.739 1
1 297 . 18 1 1 A 29 29 GLY H H 29 8.254 9.282 -1.028 1
1 300 . 18 1 1 A 29 29 GLY C C 29 174.848 174.759 0.089 1
1 301 . 18 1 1 A 29 29 GLY CA C 29 45.354 60.000 -14.646 1
1 302 . 18 1 1 A 29 29 GLY N N 29 108.650 126.609 -17.959 1
1 303 . 18 1 1 A 30 30 GLU H H 30 7.860 8.960 -1.100 1
1 304 . 18 1 1 A 30 30 GLU HA H 30 4.267 4.884 -0.617 1
1 309 . 18 1 1 A 30 30 GLU C C 30 176.802 174.073 2.729 1
1 310 . 18 1 1 A 30 30 GLU CA C 30 56.348 62.193 -5.845 1
1 311 . 18 1 1 A 30 30 GLU CB C 30 30.460 68.752 -38.292 1
1 313 . 18 1 1 A 30 30 GLU N N 30 119.375 123.604 -4.229 1
1 314 . 18 1 1 A 31 31 GLN H H 31 8.280 9.334 -1.054 1
1 315 . 18 1 1 A 31 31 GLN HA H 31 4.222 4.874 -0.652 1
1 322 . 18 1 1 A 31 31 GLN C C 31 175.995 175.616 0.379 1
1 323 . 18 1 1 A 31 31 GLN CA C 31 55.917 53.282 2.635 1
1 324 . 18 1 1 A 31 31 GLN CB C 31 30.002 43.816 -13.814 1
1 326 . 18 1 1 A 31 31 GLN N N 31 120.036 128.261 -8.225 1
1 328 . 18 1 1 A 32 32 GLN H H 32 7.520 8.849 -1.329 1
1 329 . 18 1 1 A 32 32 GLN HA H 32 4.905 4.766 0.139 1
1 336 . 18 1 1 A 32 32 GLN C C 32 176.112 175.630 0.482 1
1 337 . 18 1 1 A 32 32 GLN CA C 32 56.211 55.448 0.763 1
1 338 . 18 1 1 A 32 32 GLN CB C 32 30.863 31.211 -0.348 1
1 340 . 18 1 1 A 32 32 GLN N N 32 123.146 124.683 -1.537 1
1 342 . 18 1 1 A 33 33 THR H H 33 8.533 8.624 -0.091 1
1 343 . 18 1 1 A 33 33 THR HA H 33 4.621 4.632 -0.011 1
1 348 . 18 1 1 A 33 33 THR C C 33 173.112 174.214 -1.102 1
1 349 . 18 1 1 A 33 33 THR CA C 33 61.506 58.669 2.837 1
1 350 . 18 1 1 A 33 33 THR CB C 33 71.605 34.830 36.775 1
1 352 . 18 1 1 A 33 33 THR N N 33 118.233 121.181 -2.948 1
1 353 . 18 1 1 A 34 34 GLU H H 34 8.711 8.698 0.013 1
1 354 . 18 1 1 A 34 34 GLU HA H 34 4.939 4.285 0.654 1
1 359 . 18 1 1 A 34 34 GLU C C 34 175.108 176.083 -0.975 1
1 360 . 18 1 1 A 34 34 GLU CA C 34 55.553 57.615 -2.062 1
1 361 . 18 1 1 A 34 34 GLU CB C 34 31.950 64.349 -32.399 1
1 363 . 18 1 1 A 34 34 GLU N N 34 124.692 120.710 3.982 1
1 364 . 18 1 1 A 35 35 ILE H H 35 9.115 8.727 0.388 1
1 375 . 18 1 1 A 35 35 ILE C C 35 174.282 174.942 -0.660 1
1 376 . 18 1 1 A 35 35 ILE CA C 35 59.057 47.170 11.887 1
1 381 . 18 1 1 A 35 35 ILE N N 35 127.113 112.684 14.429 1
1 382 . 18 1 1 A 36 36 THR H H 36 8.545 7.925 0.620 1
1 383 . 18 1 1 A 36 36 THR HA H 36 4.772 4.662 0.110 1
1 388 . 18 1 1 A 36 36 THR C C 36 174.054 175.979 -1.925 1
1 389 . 18 1 1 A 36 36 THR CA C 36 62.257 54.471 7.786 1
1 390 . 18 1 1 A 36 36 THR CB C 36 68.948 41.075 27.873 1
1 392 . 18 1 1 A 36 36 THR N N 36 123.057 121.114 1.943 1
1 393 . 18 1 1 A 37 37 LEU H H 37 9.161 7.054 2.107 1
1 394 . 18 1 1 A 37 37 LEU HA H 37 4.503 4.339 0.164 1
1 404 . 18 1 1 A 37 37 LEU C C 37 175.047 176.016 -0.969 1
1 405 . 18 1 1 A 37 37 LEU CA C 37 52.646 54.883 -2.237 1
1 406 . 18 1 1 A 37 37 LEU CB C 37 45.951 43.103 2.848 1
1 410 . 18 1 1 A 37 37 LEU N N 37 128.195 121.096 7.099 1
1 411 . 18 1 1 A 38 38 ARG H H 38 8.258 8.751 -0.493 1
1 412 . 18 1 1 A 38 38 ARG HA H 38 4.556 5.028 -0.472 1
1 420 . 18 1 1 A 38 38 ARG C C 38 175.726 176.589 -0.863 1
1 421 . 18 1 1 A 38 38 ARG CA C 38 55.701 55.267 0.434 1
1 422 . 18 1 1 A 38 38 ARG CB C 38 29.601 31.425 -1.824 1
1 425 . 18 1 1 A 38 38 ARG N N 38 122.992 121.585 1.407 1
1 427 . 18 1 1 A 39 39 VAL H H 39 8.635 9.248 -0.613 1
1 428 . 18 1 1 A 39 39 VAL HA H 39 4.358 3.581 0.777 1
1 436 . 18 1 1 A 39 39 VAL C C 39 172.241 178.654 -6.413 1
1 437 . 18 1 1 A 39 39 VAL CA C 39 58.334 65.199 -6.865 1
1 438 . 18 1 1 A 39 39 VAL CB C 39 35.214 37.915 -2.701 1
1 441 . 18 1 1 A 39 39 VAL N N 39 118.388 120.910 -2.522 1
1 442 . 18 1 1 A 40 40 SER H H 40 6.388 8.309 -1.921 1
1 446 . 18 1 1 A 40 40 SER C C 40 175.046 176.807 -1.761 1
1 447 . 18 1 1 A 40 40 SER CA C 40 56.216 47.313 8.903 1
1 449 . 18 1 1 A 40 40 SER N N 40 108.799 108.436 0.363 1
1 450 . 18 1 1 A 41 41 GLY H H 41 9.085 7.880 1.205 1
1 451 . 18 1 1 A 41 41 GLY HA2 H 41 3.850 3.154 0.696 1
1 452 . 18 1 1 A 41 41 GLY HA3 H 41 4.321 3.497 0.824 1
1 453 . 18 1 1 A 41 41 GLY C C 41 173.137 175.763 -2.626 1
1 454 . 18 1 1 A 41 41 GLY CA C 41 47.346 46.745 0.601 1
1 455 . 18 1 1 A 41 41 GLY N N 41 107.767 109.617 -1.850 1
1 456 . 18 1 1 A 42 42 ASP H H 42 7.994 7.609 0.385 1
1 457 . 18 1 1 A 42 42 ASP HA H 42 4.498 3.584 0.914 1
1 460 . 18 1 1 A 42 42 ASP C C 42 175.609 177.678 -2.069 1
1 461 . 18 1 1 A 42 42 ASP CA C 42 53.241 65.626 -12.385 1
1 462 . 18 1 1 A 42 42 ASP CB C 42 40.331 31.508 8.823 1
1 463 . 18 1 1 A 42 42 ASP N N 42 112.956 122.097 -9.141 1
1 464 . 18 1 1 A 43 43 LEU H H 43 7.431 8.252 -0.821 1
1 465 . 18 1 1 A 43 43 LEU HA H 43 4.210 3.961 0.249 1
1 475 . 18 1 1 A 43 43 LEU C C 43 175.552 178.298 -2.746 1
1 476 . 18 1 1 A 43 43 LEU CA C 43 55.199 59.056 -3.857 1
1 477 . 18 1 1 A 43 43 LEU CB C 43 42.398 33.056 9.342 1
1 481 . 18 1 1 A 43 43 LEU N N 43 123.293 117.610 5.683 1
1 482 . 18 1 1 A 44 44 HIS H H 44 8.405 7.788 0.617 1
1 483 . 18 1 1 A 44 44 HIS HA H 44 5.154 4.047 1.107 1
1 488 . 18 1 1 A 44 44 HIS C C 44 177.511 178.888 -1.377 1
1 489 . 18 1 1 A 44 44 HIS CA C 44 54.692 57.544 -2.852 1
1 490 . 18 1 1 A 44 44 HIS CB C 44 30.868 41.776 -10.908 1
1 493 . 18 1 1 A 44 44 HIS N N 44 121.975 120.650 1.325 1
1 494 . 18 1 1 A 45 45 ILE H H 45 8.628 7.862 0.766 1
1 495 . 18 1 1 A 45 45 ILE HA H 45 3.445 4.020 -0.575 1
1 505 . 18 1 1 A 45 45 ILE C C 45 179.116 179.115 0.001 1
1 506 . 18 1 1 A 45 45 ILE CA C 45 62.585 58.666 3.919 1
1 507 . 18 1 1 A 45 45 ILE CB C 45 35.492 32.012 3.480 1
1 511 . 18 1 1 A 45 45 ILE N N 45 124.304 119.257 5.047 1
1 512 . 18 1 1 A 46 46 GLY H H 46 9.792 7.455 2.337 1
1 515 . 18 1 1 A 46 46 GLY C C 46 175.742 179.041 -3.299 1
1 516 . 18 1 1 A 46 46 GLY CA C 46 46.812 57.811 -10.999 1
1 517 . 18 1 1 A 46 46 GLY N N 46 106.610 120.430 -13.820 1
1 518 . 18 1 1 A 47 47 GLY H H 47 6.761 7.889 -1.128 1
1 521 . 18 1 1 A 47 47 GLY C C 47 176.182 177.784 -1.602 1
1 522 . 18 1 1 A 47 47 GLY CA C 47 46.819 66.735 -19.916 1
1 523 . 18 1 1 A 47 47 GLY N N 47 109.580 118.489 -8.909 1
1 524 . 18 1 1 A 48 48 VAL H H 48 7.669 8.536 -0.867 1
1 525 . 18 1 1 A 48 48 VAL HA H 48 3.083 3.840 -0.757 1
1 533 . 18 1 1 A 48 48 VAL C C 48 176.849 178.926 -2.077 1
1 534 . 18 1 1 A 48 48 VAL CA C 48 66.775 59.950 6.825 1
1 535 . 18 1 1 A 48 48 VAL CB C 48 30.944 29.146 1.798 1
1 538 . 18 1 1 A 48 48 VAL N N 48 123.461 120.119 3.342 1
1 539 . 18 1 1 A 49 49 MET H H 49 7.632 8.232 -0.600 1
1 540 . 18 1 1 A 49 49 MET HA H 49 3.143 4.051 -0.908 1
1 548 . 18 1 1 A 49 49 MET C C 49 176.774 178.063 -1.289 1
1 549 . 18 1 1 A 49 49 MET CA C 49 59.972 58.366 1.606 1
1 550 . 18 1 1 A 49 49 MET CB C 49 33.142 28.498 4.644 1
1 553 . 18 1 1 A 49 49 MET N N 49 115.691 119.681 -3.990 1
1 554 . 18 1 1 A 50 50 LEU H H 50 7.535 7.940 -0.405 1
1 555 . 18 1 1 A 50 50 LEU HA H 50 3.821 4.278 -0.457 1
1 565 . 18 1 1 A 50 50 LEU C C 50 179.001 175.920 3.081 1
1 566 . 18 1 1 A 50 50 LEU CA C 50 57.910 58.067 -0.157 1
1 567 . 18 1 1 A 50 50 LEU CB C 50 41.821 33.059 8.762 1
1 571 . 18 1 1 A 50 50 LEU N N 50 117.445 118.863 -1.418 1
1 572 . 18 1 1 A 51 51 LYS H H 51 7.447 8.220 -0.773 1
1 573 . 18 1 1 A 51 51 LYS HA H 51 3.880 4.584 -0.704 1
1 582 . 18 1 1 A 51 51 LYS C C 51 178.975 174.150 4.825 1
1 583 . 18 1 1 A 51 51 LYS CA C 51 59.003 53.978 5.025 1
1 584 . 18 1 1 A 51 51 LYS CB C 51 32.890 37.002 -4.112 1
1 588 . 18 1 1 A 51 51 LYS N N 51 118.306 117.030 1.276 1
1 589 . 18 1 1 A 52 52 LEU H H 52 7.547 7.806 -0.259 1
1 590 . 18 1 1 A 52 52 LEU HA H 52 3.523 4.537 -1.014 1
1 600 . 18 1 1 A 52 52 LEU C C 52 177.676 174.725 2.951 1
1 601 . 18 1 1 A 52 52 LEU CA C 52 58.038 60.917 -2.879 1
1 602 . 18 1 1 A 52 52 LEU CB C 52 41.660 40.064 1.596 1
1 606 . 18 1 1 A 52 52 LEU N N 52 119.198 119.123 0.075 1
1 607 . 18 1 1 A 53 53 VAL H H 53 7.368 8.914 -1.546 1
1 608 . 18 1 1 A 53 53 VAL HA H 53 2.469 4.856 -2.387 1
1 616 . 18 1 1 A 53 53 VAL C C 53 179.189 176.492 2.697 1
1 617 . 18 1 1 A 53 53 VAL CA C 53 66.706 51.587 15.119 1
1 618 . 18 1 1 A 53 53 VAL CB C 53 31.343 19.378 11.965 1
1 621 . 18 1 1 A 53 53 VAL N N 53 117.879 131.815 -13.936 1
1 622 . 18 1 1 A 54 54 GLU H H 54 7.966 8.834 -0.868 1
1 623 . 18 1 1 A 54 54 GLU HA H 54 3.865 4.824 -0.959 1
1 628 . 18 1 1 A 54 54 GLU C C 54 178.593 173.771 4.822 1
1 629 . 18 1 1 A 54 54 GLU CA C 54 58.935 54.805 4.130 1
1 630 . 18 1 1 A 54 54 GLU CB C 54 29.772 30.188 -0.416 1
1 632 . 18 1 1 A 54 54 GLU N N 54 119.295 121.540 -2.245 1
1 633 . 18 1 1 A 55 55 GLN H H 55 7.651 8.765 -1.114 1
1 634 . 18 1 1 A 55 55 GLN HA H 55 4.005 4.761 -0.756 1
1 641 . 18 1 1 A 55 55 GLN C C 55 177.512 175.843 1.669 1
1 642 . 18 1 1 A 55 55 GLN CA C 55 57.362 54.452 2.910 1
1 643 . 18 1 1 A 55 55 GLN CB C 55 28.938 40.084 -11.146 1
1 645 . 18 1 1 A 55 55 GLN N N 55 116.036 119.415 -3.379 1
1 647 . 18 1 1 A 56 56 MET H H 56 7.691 8.497 -0.806 1
1 648 . 18 1 1 A 56 56 MET HA H 56 4.316 4.558 -0.242 1
1 656 . 18 1 1 A 56 56 MET C C 56 176.572 176.738 -0.166 1
1 657 . 18 1 1 A 56 56 MET CA C 56 56.492 58.387 -1.895 1
1 658 . 18 1 1 A 56 56 MET CB C 56 32.901 30.112 2.789 1
1 661 . 18 1 1 A 56 56 MET N N 56 117.664 124.427 -6.763 1
1 662 . 18 1 1 A 57 57 ASN H H 57 7.816 8.142 -0.326 1
1 663 . 18 1 1 A 57 57 ASN HA H 57 4.495 4.177 0.318 1
1 668 . 18 1 1 A 57 57 ASN C C 57 174.613 172.859 1.754 1
1 669 . 18 1 1 A 57 57 ASN CA C 57 53.813 61.145 -7.332 1
1 670 . 18 1 1 A 57 57 ASN CB C 57 37.713 61.754 -24.041 1
1 671 . 18 1 1 A 57 57 ASN N N 57 115.864 113.214 2.650 1
1 673 . 18 1 1 A 58 58 ILE H H 58 8.391 8.233 0.158 1
1 674 . 18 1 1 A 58 58 ILE HA H 58 4.284 5.003 -0.719 1
1 684 . 18 1 1 A 58 58 ILE C C 58 175.277 174.297 0.980 1
1 685 . 18 1 1 A 58 58 ILE CA C 58 60.631 52.558 8.073 1
1 686 . 18 1 1 A 58 58 ILE CB C 58 41.470 44.022 -2.552 1
1 690 . 18 1 1 A 58 58 ILE N N 58 117.760 115.116 2.644 1
1 691 . 18 1 1 A 59 59 ALA H H 59 8.438 8.542 -0.104 1
1 692 . 18 1 1 A 59 59 ALA HA H 59 4.535 5.204 -0.669 1
1 696 . 18 1 1 A 59 59 ALA C C 59 175.554 173.425 2.129 1
1 697 . 18 1 1 A 59 59 ALA CA C 59 51.604 56.263 -4.659 1
1 698 . 18 1 1 A 59 59 ALA CB C 59 17.256 41.875 -24.619 1
1 699 . 18 1 1 A 59 59 ALA N N 59 129.371 117.846 11.525 1
1 700 . 18 1 1 A 60 60 GLN H H 60 7.498 8.002 -0.504 1
1 701 . 18 1 1 A 60 60 GLN HA H 60 4.291 5.050 -0.759 1
1 708 . 18 1 1 A 60 60 GLN C C 60 172.908 175.866 -2.958 1
1 709 . 18 1 1 A 60 60 GLN CA C 60 53.492 51.309 2.183 1
1 710 . 18 1 1 A 60 60 GLN CB C 60 30.340 23.226 7.114 1
1 712 . 18 1 1 A 60 60 GLN N N 60 120.550 121.571 -1.021 1
1 714 . 18 1 1 A 61 61 ASP H H 61 8.086 8.858 -0.772 1
1 715 . 18 1 1 A 61 61 ASP HA H 61 4.622 5.207 -0.585 1
1 718 . 18 1 1 A 61 61 ASP C C 61 177.529 176.089 1.440 1
1 719 . 18 1 1 A 61 61 ASP CA C 61 53.520 54.192 -0.672 1
1 720 . 18 1 1 A 61 61 ASP CB C 61 40.493 43.669 -3.176 1
1 721 . 18 1 1 A 61 61 ASP N N 61 118.225 119.237 -1.012 1
1 722 . 18 1 1 A 62 62 TRP H H 62 8.999 9.738 -0.739 1
1 723 . 18 1 1 A 62 62 TRP HA H 62 4.578 5.049 -0.471 1
1 732 . 18 1 1 A 62 62 TRP C C 62 178.609 174.756 3.853 1
1 733 . 18 1 1 A 62 62 TRP CA C 62 57.200 54.717 2.483 1
1 734 . 18 1 1 A 62 62 TRP CB C 62 29.155 31.028 -1.873 1
1 740 . 18 1 1 A 62 62 TRP N N 62 129.134 126.506 2.628 1
1 742 . 18 1 1 A 63 63 SER H H 63 8.756 8.489 0.267 1
1 743 . 18 1 1 A 63 63 SER HA H 63 4.127 4.738 -0.611 1
1 746 . 18 1 1 A 63 63 SER C C 63 175.119 175.531 -0.412 1
1 747 . 18 1 1 A 63 63 SER CA C 63 62.933 55.630 7.303 1
1 748 . 18 1 1 A 63 63 SER CB C 63 63.120 29.520 33.600 1
1 749 . 18 1 1 A 63 63 SER N N 63 119.231 129.968 -10.737 1
1 750 . 18 1 1 A 64 64 ASP H H 64 9.095 8.285 0.810 1
1 751 . 18 1 1 A 64 64 ASP HA H 64 4.876 3.534 1.342 1
1 754 . 18 1 1 A 64 64 ASP C C 64 177.267 177.982 -0.715 1
1 755 . 18 1 1 A 64 64 ASP CA C 64 54.157 59.164 -5.007 1
1 756 . 18 1 1 A 64 64 ASP CB C 64 43.116 29.498 13.618 1
1 757 . 18 1 1 A 64 64 ASP N N 64 120.137 126.329 -6.192 1
1 758 . 18 1 1 A 65 65 TYR H H 65 7.991 8.073 -0.082 1
1 759 . 18 1 1 A 65 65 TYR HA H 65 4.151 4.069 0.082 1
1 766 . 18 1 1 A 65 65 TYR C C 65 175.746 176.683 -0.937 1
1 767 . 18 1 1 A 65 65 TYR CA C 65 59.053 57.576 1.477 1
1 768 . 18 1 1 A 65 65 TYR CB C 65 38.836 28.274 10.562 1
1 773 . 18 1 1 A 65 65 TYR N N 65 121.458 118.264 3.194 1
1 774 . 18 1 1 A 66 66 ALA H H 66 8.698 6.835 1.863 1
1 775 . 18 1 1 A 66 66 ALA HA H 66 4.794 4.074 0.720 1
1 779 . 18 1 1 A 66 66 ALA C C 66 175.126 175.311 -0.185 1
1 780 . 18 1 1 A 66 66 ALA CA C 66 51.166 54.852 -3.686 1
1 781 . 18 1 1 A 66 66 ALA CB C 66 23.771 33.521 -9.750 1
1 782 . 18 1 1 A 66 66 ALA N N 66 122.944 116.602 6.342 1
1 783 . 18 1 1 A 67 67 LEU H H 67 9.131 7.191 1.940 1
1 784 . 18 1 1 A 67 67 LEU HA H 67 5.498 3.148 2.350 1
1 794 . 18 1 1 A 67 67 LEU C C 67 174.489 174.057 0.432 1
1 795 . 18 1 1 A 67 67 LEU CA C 67 53.987 56.653 -2.666 1
1 796 . 18 1 1 A 67 67 LEU CB C 67 44.080 26.859 17.221 1
1 800 . 18 1 1 A 67 67 LEU N N 67 118.646 115.904 2.742 1
1 801 . 18 1 1 A 68 68 TRP H H 68 9.934 6.848 3.086 1
1 802 . 18 1 1 A 68 68 TRP HA H 68 4.680 4.973 -0.293 1
1 811 . 18 1 1 A 68 68 TRP C C 68 174.148 172.726 1.422 1
1 812 . 18 1 1 A 68 68 TRP CA C 68 55.276 57.123 -1.847 1
1 813 . 18 1 1 A 68 68 TRP CB C 68 30.222 31.049 -0.827 1
1 819 . 18 1 1 A 68 68 TRP N N 68 126.978 115.905 11.073 1
1 821 . 18 1 1 A 69 69 TRP H H 69 8.507 9.146 -0.639 1
1 822 . 18 1 1 A 69 69 TRP HA H 69 5.060 5.483 -0.423 1
1 831 . 18 1 1 A 69 69 TRP C C 69 175.837 176.155 -0.318 1
1 832 . 18 1 1 A 69 69 TRP CA C 69 52.520 56.368 -3.848 1
1 833 . 18 1 1 A 69 69 TRP CB C 69 30.500 31.249 -0.749 1
1 839 . 18 1 1 A 69 69 TRP N N 69 129.756 125.276 4.480 1
1 841 . 18 1 1 A 70 70 GLU H H 70 8.917 9.664 -0.747 1
1 842 . 18 1 1 A 70 70 GLU HA H 70 3.817 4.456 -0.639 1
1 847 . 18 1 1 A 70 70 GLU C C 70 179.449 176.989 2.460 1
1 848 . 18 1 1 A 70 70 GLU CA C 70 60.208 54.631 5.577 1
1 849 . 18 1 1 A 70 70 GLU CB C 70 29.937 40.760 -10.823 1
1 851 . 18 1 1 A 70 70 GLU N N 70 126.517 126.225 0.292 1
1 852 . 18 1 1 A 71 71 GLN H H 71 8.515 8.152 0.363 1
1 853 . 18 1 1 A 71 71 GLN HA H 71 3.782 4.808 -1.026 1
1 860 . 18 1 1 A 71 71 GLN C C 71 177.266 177.084 0.182 1
1 861 . 18 1 1 A 71 71 GLN CA C 71 61.006 54.278 6.728 1
1 862 . 18 1 1 A 71 71 GLN CB C 71 27.451 42.584 -15.133 1
1 864 . 18 1 1 A 71 71 GLN N N 71 114.822 125.874 -11.052 1
1 866 . 18 1 1 A 72 72 LYS H H 72 5.086 7.462 -2.376 1
1 867 . 18 1 1 A 72 72 LYS HA H 72 3.719 4.568 -0.849 1
1 876 . 18 1 1 A 72 72 LYS C C 72 174.268 177.613 -3.345 1
1 877 . 18 1 1 A 72 72 LYS CA C 72 53.864 54.841 -0.977 1
1 878 . 18 1 1 A 72 72 LYS CB C 72 33.242 30.083 3.159 1
1 882 . 18 1 1 A 72 72 LYS N N 72 112.499 120.491 -7.992 1
1 883 . 18 1 1 A 73 73 ARG H H 73 7.402 8.116 -0.714 1
1 884 . 18 1 1 A 73 73 ARG HA H 73 2.800 4.220 -1.420 1
1 892 . 18 1 1 A 73 73 ARG C C 73 173.935 177.061 -3.126 1
1 893 . 18 1 1 A 73 73 ARG CA C 73 56.187 65.168 -8.981 1
1 894 . 18 1 1 A 73 73 ARG CB C 73 26.602 68.942 -42.340 1
1 897 . 18 1 1 A 73 73 ARG N N 73 118.477 114.179 4.298 1
1 899 . 18 1 1 A 74 74 CYS H H 74 6.242 7.977 -1.735 1
1 900 . 18 1 1 A 74 74 CYS HA H 74 4.671 4.340 0.331 1
1 903 . 18 1 1 A 74 74 CYS C C 74 171.332 175.725 -4.393 1
1 904 . 18 1 1 A 74 74 CYS CA C 74 54.443 58.674 -4.231 1
1 905 . 18 1 1 A 74 74 CYS CB C 74 31.599 30.293 1.306 1
1 906 . 18 1 1 A 74 74 CYS N N 74 110.705 121.655 -10.950 1
1 907 . 18 1 1 A 75 75 TRP H H 75 8.567 7.988 0.579 1
1 908 . 18 1 1 A 75 75 TRP HA H 75 5.414 4.663 0.751 1
1 917 . 18 1 1 A 75 75 TRP C C 75 177.638 176.514 1.124 1
1 918 . 18 1 1 A 75 75 TRP CA C 75 55.720 57.753 -2.033 1
1 919 . 18 1 1 A 75 75 TRP CB C 75 30.966 30.238 0.728 1
1 925 . 18 1 1 A 75 75 TRP N N 75 120.876 118.948 1.928 1
1 927 . 18 1 1 A 76 76 LEU H H 76 9.181 8.636 0.545 1
1 928 . 18 1 1 A 76 76 LEU HA H 76 4.737 4.956 -0.219 1
1 938 . 18 1 1 A 76 76 LEU C C 76 175.745 176.252 -0.507 1
1 939 . 18 1 1 A 76 76 LEU CA C 76 53.729 60.485 -6.756 1
1 940 . 18 1 1 A 76 76 LEU CB C 76 40.810 71.384 -30.574 1
1 944 . 18 1 1 A 76 76 LEU N N 76 125.488 115.372 10.116 1
1 945 . 18 1 1 A 77 77 LEU H H 77 7.711 9.200 -1.489 1
1 946 . 18 1 1 A 77 77 LEU HA H 77 4.416 4.114 0.302 1
1 956 . 18 1 1 A 77 77 LEU C C 77 178.257 178.878 -0.621 1
1 957 . 18 1 1 A 77 77 LEU CA C 77 54.539 58.400 -3.861 1
1 958 . 18 1 1 A 77 77 LEU CB C 77 42.566 41.605 0.961 1
1 962 . 18 1 1 A 77 77 LEU N N 77 119.493 123.414 -3.921 1
1 963 . 18 1 1 A 78 78 LYS H H 78 8.173 8.356 -0.183 1
1 964 . 18 1 1 A 78 78 LYS HA H 78 4.380 4.466 -0.086 1
1 973 . 18 1 1 A 78 78 LYS C C 78 177.029 178.681 -1.652 1
1 974 . 18 1 1 A 78 78 LYS CA C 78 54.048 57.284 -3.236 1
1 975 . 18 1 1 A 78 78 LYS CB C 78 28.755 41.157 -12.402 1
1 979 . 18 1 1 A 78 78 LYS N N 78 121.730 119.283 2.447 1
1 980 . 18 1 1 A 79 79 THR H H 79 7.812 7.964 -0.152 1
1 981 . 18 1 1 A 79 79 THR HA H 79 3.677 4.146 -0.469 1
1 986 . 18 1 1 A 79 79 THR C C 79 175.193 178.747 -3.554 1
1 987 . 18 1 1 A 79 79 THR CA C 79 64.890 58.971 5.919 1
1 988 . 18 1 1 A 79 79 THR CB C 79 68.447 32.175 36.272 1
1 990 . 18 1 1 A 79 79 THR N N 79 114.142 119.131 -4.989 1
1 991 . 18 1 1 A 80 80 HIS H H 80 8.929 8.144 0.785 1
1 992 . 18 1 1 A 80 80 HIS HA H 80 4.759 4.697 0.062 1
1 995 . 18 1 1 A 80 80 HIS C C 80 175.622 175.158 0.464 1
1 996 . 18 1 1 A 80 80 HIS CA C 80 56.078 60.380 -4.302 1
1 997 . 18 1 1 A 80 80 HIS CB C 80 29.927 28.367 1.560 1
1 998 . 18 1 1 A 80 80 HIS N N 80 117.372 118.328 -0.956 1
1 999 . 18 1 1 A 81 81 TRP H H 81 8.544 8.138 0.406 1
1 1009 . 18 1 1 A 81 81 TRP C C 81 175.952 174.495 1.457 1
1 1010 . 18 1 1 A 81 81 TRP CA C 81 56.009 45.194 10.815 1
1 1017 . 18 1 1 A 81 81 TRP N N 81 122.512 108.828 13.684 1
1 1019 . 18 1 1 A 82 82 THR H H 82 7.587 7.884 -0.297 1
1 1020 . 18 1 1 A 82 82 THR HA H 82 4.725 3.927 0.798 1
1 1025 . 18 1 1 A 82 82 THR C C 82 176.305 174.657 1.648 1
1 1026 . 18 1 1 A 82 82 THR CA C 82 60.250 61.390 -1.140 1
1 1027 . 18 1 1 A 82 82 THR CB C 82 70.601 31.401 39.200 1
1 1029 . 18 1 1 A 82 82 THR N N 82 109.728 122.210 -12.482 1
1 1030 . 18 1 1 A 83 83 LEU H H 83 8.354 8.571 -0.217 1
1 1031 . 18 1 1 A 83 83 LEU HA H 83 3.798 3.696 0.102 1
1 1040 . 18 1 1 A 83 83 LEU C C 83 179.461 176.605 2.856 1
1 1041 . 18 1 1 A 83 83 LEU CA C 83 59.442 53.577 5.865 1
1 1042 . 18 1 1 A 83 83 LEU CB C 83 40.758 30.587 10.171 1
1 1045 . 18 1 1 A 83 83 LEU N N 83 122.120 127.736 -5.616 1
1 1046 . 18 1 1 A 84 84 ASP H H 84 8.985 7.804 1.181 1
1 1047 . 18 1 1 A 84 84 ASP HA H 84 4.427 4.002 0.425 1
1 1050 . 18 1 1 A 84 84 ASP C C 84 179.464 177.249 2.215 1
1 1051 . 18 1 1 A 84 84 ASP CA C 84 57.459 54.129 3.330 1
1 1052 . 18 1 1 A 84 84 ASP CB C 84 40.243 18.491 21.752 1
1 1053 . 18 1 1 A 84 84 ASP N N 84 118.020 122.576 -4.556 1
1 1054 . 18 1 1 A 85 85 LYS H H 85 8.134 7.823 0.311 1
1 1055 . 18 1 1 A 85 85 LYS HA H 85 3.820 4.706 -0.886 1
1 1064 . 18 1 1 A 85 85 LYS C C 85 178.824 175.286 3.538 1
1 1065 . 18 1 1 A 85 85 LYS CA C 85 59.103 54.462 4.641 1
1 1066 . 18 1 1 A 85 85 LYS CB C 85 32.229 41.296 -9.067 1
1 1070 . 18 1 1 A 85 85 LYS N N 85 123.380 116.287 7.093 1
1 1071 . 18 1 1 A 86 86 CYS H H 86 8.083 7.104 0.979 1
1 1072 . 18 1 1 A 86 86 CYS HA H 86 4.439 4.715 -0.276 1
1 1075 . 18 1 1 A 86 86 CYS C C 86 174.621 175.906 -1.285 1
1 1076 . 18 1 1 A 86 86 CYS CA C 86 61.800 50.225 11.575 1
1 1077 . 18 1 1 A 86 86 CYS CB C 86 28.700 21.983 6.717 1
1 1078 . 18 1 1 A 86 86 CYS N N 86 113.734 122.316 -8.582 1
1 1079 . 18 1 1 A 87 87 GLY H H 87 7.904 8.789 -0.885 1
1 1082 . 18 1 1 A 87 87 GLY C C 87 174.471 174.276 0.195 1
1 1083 . 18 1 1 A 87 87 GLY CA C 87 45.434 53.010 -7.576 1
1 1084 . 18 1 1 A 87 87 GLY N N 87 107.243 120.176 -12.933 1
1 1085 . 18 1 1 A 88 88 VAL H H 88 7.635 8.935 -1.300 1
1 1086 . 18 1 1 A 88 88 VAL HA H 88 3.165 5.038 -1.873 1
1 1094 . 18 1 1 A 88 88 VAL C C 88 173.926 173.938 -0.012 1
1 1095 . 18 1 1 A 88 88 VAL CA C 88 63.281 53.546 9.735 1
1 1096 . 18 1 1 A 88 88 VAL CB C 88 31.892 45.418 -13.526 1
1 1099 . 18 1 1 A 88 88 VAL N N 88 122.351 128.518 -6.167 1
1 1100 . 18 1 1 A 89 89 GLN H H 89 7.651 9.111 -1.460 1
1 1101 . 18 1 1 A 89 89 GLN HA H 89 3.946 5.301 -1.355 1
1 1108 . 18 1 1 A 89 89 GLN C C 89 175.629 174.903 0.726 1
1 1109 . 18 1 1 A 89 89 GLN CA C 89 53.861 53.241 0.620 1
1 1110 . 18 1 1 A 89 89 GLN CB C 89 31.010 45.267 -14.257 1
1 1112 . 18 1 1 A 89 89 GLN N N 89 125.820 129.039 -3.219 1
1 1114 . 18 1 1 A 90 90 ALA H H 90 7.025 9.377 -2.352 1
1 1115 . 18 1 1 A 90 90 ALA HA H 90 3.873 5.443 -1.570 1
1 1119 . 18 1 1 A 90 90 ALA C C 90 177.042 174.182 2.860 1
1 1120 . 18 1 1 A 90 90 ALA CA C 90 54.869 55.563 -0.694 1
1 1121 . 18 1 1 A 90 90 ALA CB C 90 18.818 41.170 -22.352 1
1 1122 . 18 1 1 A 90 90 ALA N N 90 118.713 127.727 -9.014 1
1 1123 . 18 1 1 A 91 91 ASP H H 91 8.310 8.506 -0.196 1
1 1124 . 18 1 1 A 91 91 ASP HA H 91 4.415 4.766 -0.351 1
1 1127 . 18 1 1 A 91 91 ASP C C 91 176.371 171.753 4.618 1
1 1128 . 18 1 1 A 91 91 ASP CA C 91 53.133 58.137 -5.004 1
1 1129 . 18 1 1 A 91 91 ASP CB C 91 39.673 72.725 -33.052 1
1 1130 . 18 1 1 A 91 91 ASP N N 91 113.050 121.126 -8.076 1
1 1132 . 18 1 1 A 92 92 ALA HA H 92 4.237 4.592 -0.355 1
1 1136 . 18 1 1 A 92 92 ALA C C 92 176.536 176.583 -0.047 1
1 1137 . 18 1 1 A 92 92 ALA CA C 92 53.721 63.036 -9.315 1
1 1138 . 18 1 1 A 92 92 ALA CB C 92 19.774 32.175 -12.401 1
1 1139 . 18 1 1 A 92 92 ALA N N 92 124.114 141.239 -17.125 1
1 1140 . 18 1 1 A 93 93 ASN H H 93 9.478 8.237 1.241 1
1 1141 . 18 1 1 A 93 93 ASN HA H 93 5.141 3.459 1.682 1
1 1146 . 18 1 1 A 93 93 ASN C C 93 173.906 176.080 -2.174 1
1 1147 . 18 1 1 A 93 93 ASN CA C 93 52.433 55.073 -2.640 1
1 1148 . 18 1 1 A 93 93 ASN CB C 93 38.547 27.825 10.722 1
1 1149 . 18 1 1 A 93 93 ASN N N 93 123.235 121.151 2.084 1
1 1151 . 18 1 1 A 94 94 LEU H H 94 8.675 8.406 0.269 1
1 1152 . 18 1 1 A 94 94 LEU HA H 94 5.429 4.128 1.301 1
1 1162 . 18 1 1 A 94 94 LEU C C 94 175.486 173.422 2.064 1
1 1163 . 18 1 1 A 94 94 LEU CA C 94 53.003 57.042 -4.039 1
1 1164 . 18 1 1 A 94 94 LEU CB C 94 44.739 26.767 17.972 1
1 1168 . 18 1 1 A 94 94 LEU N N 94 122.901 114.012 8.889 1
1 1169 . 18 1 1 A 95 95 LEU H H 95 9.412 7.543 1.869 1
1 1170 . 18 1 1 A 95 95 LEU HA H 95 5.388 4.533 0.855 1
1 1180 . 18 1 1 A 95 95 LEU C C 95 174.403 174.072 0.331 1
1 1181 . 18 1 1 A 95 95 LEU CA C 95 53.155 55.656 -2.501 1
1 1182 . 18 1 1 A 95 95 LEU CB C 95 46.432 34.733 11.699 1
1 1186 . 18 1 1 A 95 95 LEU N N 95 126.034 117.730 8.304 1
1 3 . 19 1 1 A 1 1 GLY C C 1 173.950 175.156 -1.206 1
1 4 . 19 1 1 A 1 1 GLY CA C 1 45.289 54.561 -9.272 1
1 5 . 19 1 1 A 2 2 ILE H H 2 8.026 7.299 0.727 1
1 6 . 19 1 1 A 2 2 ILE HA H 2 4.518 5.106 -0.588 1
1 16 . 19 1 1 A 2 2 ILE CA C 2 54.315 52.814 1.501 1
1 17 . 19 1 1 A 2 2 ILE CB C 2 41.381 46.037 -4.656 1
1 21 . 19 1 1 A 2 2 ILE N N 2 120.237 118.486 1.751 1
1 22 . 19 1 1 A 3 3 ASP H H 3 8.212 8.816 -0.604 1
1 25 . 19 1 1 A 3 3 ASP CB C 3 41.116 64.675 -23.559 1
1 26 . 19 1 1 A 3 3 ASP N N 3 126.816 117.581 9.235 1
1 27 . 19 1 1 A 4 4 PRO HA H 4 3.818 4.164 -0.346 1
1 28 . 19 1 1 A 4 4 PRO C C 4 176.930 174.580 2.350 1
1 29 . 19 1 1 A 4 4 PRO CA C 4 63.589 59.809 3.780 1
1 30 . 19 1 1 A 5 5 PHE H H 5 8.214 7.981 0.233 1
1 33 . 19 1 1 A 5 5 PHE C C 5 176.204 173.999 2.205 1
1 34 . 19 1 1 A 5 5 PHE CA C 5 58.089 46.483 11.606 1
1 36 . 19 1 1 A 5 5 PHE N N 5 118.317 107.496 10.821 1
1 37 . 19 1 1 A 6 6 THR H H 6 7.789 7.830 -0.041 1
1 38 . 19 1 1 A 6 6 THR HA H 6 4.268 4.652 -0.384 1
1 43 . 19 1 1 A 6 6 THR C C 6 174.096 175.691 -1.595 1
1 44 . 19 1 1 A 6 6 THR CA C 6 62.228 53.338 8.890 1
1 45 . 19 1 1 A 6 6 THR CB C 6 69.842 42.495 27.347 1
1 47 . 19 1 1 A 6 6 THR N N 6 114.242 119.065 -4.823 1
1 48 . 19 1 1 A 7 7 MET H H 7 8.077 8.648 -0.571 1
1 49 . 19 1 1 A 7 7 MET HA H 7 4.721 4.565 0.156 1
1 50 . 19 1 1 A 7 7 MET CA C 7 55.836 54.503 1.333 1
1 51 . 19 1 1 A 7 7 MET N N 7 121.684 123.943 -2.259 1
1 52 . 19 1 1 A 8 8 LEU H H 8 8.043 7.865 0.178 1
1 53 . 19 1 1 A 8 8 LEU HA H 8 4.322 3.969 0.353 1
1 60 . 19 1 1 A 8 8 LEU CA C 8 55.142 65.448 -10.306 1
1 63 . 19 1 1 A 8 8 LEU N N 8 122.622 114.092 8.530 1
1 64 . 19 1 1 A 9 9 SER H H 9 8.263 7.619 0.644 1
1 65 . 19 1 1 A 9 9 SER HA H 9 4.318 4.465 -0.147 1
1 68 . 19 1 1 A 9 9 SER CA C 9 58.256 59.860 -1.604 1
1 69 . 19 1 1 A 9 9 SER CB C 9 63.851 63.740 0.111 1
1 70 . 19 1 1 A 9 9 SER N N 9 116.455 114.175 2.280 1
1 71 . 19 1 1 A 10 10 SER H H 10 8.268 7.911 0.357 1
1 72 . 19 1 1 A 10 10 SER HA H 10 4.418 4.017 0.401 1
1 75 . 19 1 1 A 10 10 SER C C 10 175.142 176.153 -1.011 1
1 76 . 19 1 1 A 10 10 SER CA C 10 58.684 52.992 5.692 1
1 77 . 19 1 1 A 10 10 SER CB C 10 63.935 17.065 46.870 1
1 78 . 19 1 1 A 10 10 SER N N 10 117.758 122.825 -5.067 1
1 79 . 19 1 1 A 11 11 GLY H H 11 8.300 8.073 0.227 1
1 82 . 19 1 1 A 11 11 GLY C C 11 176.844 174.129 2.715 1
1 83 . 19 1 1 A 11 11 GLY CA C 11 45.340 58.053 -12.713 1
1 84 . 19 1 1 A 11 11 GLY N N 11 110.621 112.482 -1.861 1
1 85 . 19 1 1 A 12 12 ASP H H 12 8.095 8.643 -0.548 1
1 86 . 19 1 1 A 12 12 ASP HA H 12 4.520 5.360 -0.840 1
1 89 . 19 1 1 A 12 12 ASP C C 12 176.422 173.573 2.849 1
1 90 . 19 1 1 A 12 12 ASP CA C 12 54.331 55.045 -0.714 1
1 91 . 19 1 1 A 12 12 ASP CB C 12 41.101 32.097 9.004 1
1 92 . 19 1 1 A 12 12 ASP N N 12 120.276 121.486 -1.210 1
1 93 . 19 1 1 A 13 13 LEU H H 13 8.259 8.589 -0.330 1
1 94 . 19 1 1 A 13 13 LEU HA H 13 4.326 4.741 -0.415 1
1 104 . 19 1 1 A 13 13 LEU C C 13 177.829 175.200 2.629 1
1 105 . 19 1 1 A 13 13 LEU CA C 13 55.426 56.361 -0.935 1
1 106 . 19 1 1 A 13 13 LEU CB C 13 42.043 30.150 11.893 1
1 110 . 19 1 1 A 13 13 LEU N N 13 122.645 120.137 2.508 1
1 111 . 19 1 1 A 14 14 THR H H 14 8.134 9.470 -1.336 1
1 112 . 19 1 1 A 14 14 THR HA H 14 4.265 5.179 -0.914 1
1 117 . 19 1 1 A 14 14 THR C C 14 174.821 174.798 0.023 1
1 118 . 19 1 1 A 14 14 THR CA C 14 62.228 53.805 8.423 1
1 119 . 19 1 1 A 14 14 THR CB C 14 69.762 44.475 25.287 1
1 121 . 19 1 1 A 14 14 THR N N 14 114.338 127.855 -13.517 1
1 122 . 19 1 1 A 15 15 SER H H 15 8.181 8.854 -0.673 1
1 123 . 19 1 1 A 15 15 SER HA H 15 4.429 4.868 -0.439 1
1 126 . 19 1 1 A 15 15 SER C C 15 174.213 174.161 0.052 1
1 127 . 19 1 1 A 15 15 SER CA C 15 58.321 60.875 -2.554 1
1 128 . 19 1 1 A 15 15 SER CB C 15 63.826 32.953 30.873 1
1 129 . 19 1 1 A 15 15 SER N N 15 117.846 127.200 -9.354 1
1 130 . 19 1 1 A 16 16 ALA H H 16 8.284 9.861 -1.577 1
1 131 . 19 1 1 A 16 16 ALA HA H 16 4.395 4.619 -0.224 1
1 135 . 19 1 1 A 16 16 ALA C C 16 177.160 175.021 2.139 1
1 136 . 19 1 1 A 16 16 ALA CA C 16 52.623 60.900 -8.277 1
1 137 . 19 1 1 A 16 16 ALA CB C 16 19.390 34.481 -15.091 1
1 138 . 19 1 1 A 16 16 ALA N N 16 126.207 130.292 -4.085 1
1 139 . 19 1 1 A 17 17 SER H H 17 8.035 9.253 -1.218 1
1 140 . 19 1 1 A 17 17 SER HA H 17 4.891 5.152 -0.261 1
1 143 . 19 1 1 A 17 17 SER C C 17 173.472 175.505 -2.033 1
1 144 . 19 1 1 A 17 17 SER CA C 17 57.547 55.978 1.569 1
1 145 . 19 1 1 A 17 17 SER CB C 17 65.420 30.973 34.447 1
1 146 . 19 1 1 A 17 17 SER N N 17 114.521 127.597 -13.076 1
1 147 . 19 1 1 A 18 18 TRP H H 18 8.523 9.322 -0.799 1
1 148 . 19 1 1 A 18 18 TRP HA H 18 4.787 4.722 0.065 1
1 157 . 19 1 1 A 18 18 TRP C C 18 173.910 174.260 -0.350 1
1 158 . 19 1 1 A 18 18 TRP CA C 18 55.331 61.962 -6.631 1
1 159 . 19 1 1 A 18 18 TRP CB C 18 30.044 32.523 -2.479 1
1 165 . 19 1 1 A 18 18 TRP N N 18 120.348 124.946 -4.598 1
1 167 . 19 1 1 A 19 19 GLU H H 19 8.542 9.291 -0.749 1
1 168 . 19 1 1 A 19 19 GLU HA H 19 4.957 4.991 -0.034 1
1 173 . 19 1 1 A 19 19 GLU C C 19 175.089 174.714 0.375 1
1 174 . 19 1 1 A 19 19 GLU CA C 19 55.735 52.516 3.219 1
1 175 . 19 1 1 A 19 19 GLU CB C 19 31.683 41.861 -10.178 1
1 177 . 19 1 1 A 19 19 GLU N N 19 117.964 128.401 -10.437 1
1 178 . 19 1 1 A 20 20 LEU H H 20 8.813 9.030 -0.217 1
1 179 . 19 1 1 A 20 20 LEU HA H 20 4.794 4.791 0.003 1
1 189 . 19 1 1 A 20 20 LEU C C 20 174.656 175.026 -0.370 1
1 190 . 19 1 1 A 20 20 LEU CA C 20 53.195 56.273 -3.078 1
1 191 . 19 1 1 A 20 20 LEU CB C 20 46.182 30.680 15.502 1
1 195 . 19 1 1 A 20 20 LEU N N 20 125.925 125.740 0.185 1
1 196 . 19 1 1 A 21 21 VAL H H 21 8.827 8.448 0.379 1
1 197 . 19 1 1 A 21 21 VAL HA H 21 4.499 3.969 0.530 1
1 205 . 19 1 1 A 21 21 VAL C C 21 176.157 178.156 -1.999 1
1 206 . 19 1 1 A 21 21 VAL CA C 21 62.260 53.581 8.679 1
1 207 . 19 1 1 A 21 21 VAL CB C 21 31.627 18.373 13.254 1
1 210 . 19 1 1 A 21 21 VAL N N 21 127.297 125.796 1.501 1
1 211 . 19 1 1 A 22 22 VAL H H 22 9.178 9.024 0.154 1
1 212 . 19 1 1 A 22 22 VAL HA H 22 4.348 4.380 -0.032 1
1 220 . 19 1 1 A 22 22 VAL C C 22 175.253 174.235 1.018 1
1 221 . 19 1 1 A 22 22 VAL CA C 22 60.925 54.565 6.360 1
1 222 . 19 1 1 A 22 22 VAL CB C 22 34.352 38.090 -3.738 1
1 225 . 19 1 1 A 22 22 VAL N N 22 129.937 121.251 8.686 1
1 226 . 19 1 1 A 23 23 ARG H H 23 8.104 8.187 -0.083 1
1 235 . 19 1 1 A 23 23 ARG C C 23 174.950 174.671 0.279 1
1 236 . 19 1 1 A 23 23 ARG CA C 23 55.516 44.383 11.133 1
1 240 . 19 1 1 A 23 23 ARG N N 23 125.848 108.554 17.294 1
1 242 . 19 1 1 A 24 24 VAL H H 24 9.325 8.775 0.550 1
1 243 . 19 1 1 A 24 24 VAL HA H 24 5.011 4.325 0.686 1
1 251 . 19 1 1 A 24 24 VAL C C 24 175.449 176.719 -1.270 1
1 252 . 19 1 1 A 24 24 VAL CA C 24 61.634 57.358 4.276 1
1 253 . 19 1 1 A 24 24 VAL CB C 24 33.928 29.978 3.950 1
1 256 . 19 1 1 A 24 24 VAL N N 24 124.136 122.036 2.100 1
1 257 . 19 1 1 A 25 25 ASP H H 25 8.414 7.639 0.775 1
1 258 . 19 1 1 A 25 25 ASP HA H 25 5.220 4.405 0.815 1
1 261 . 19 1 1 A 25 25 ASP C C 25 176.671 174.566 2.105 1
1 262 . 19 1 1 A 25 25 ASP CA C 25 52.956 55.316 -2.360 1
1 263 . 19 1 1 A 25 25 ASP CB C 25 43.473 29.086 14.387 1
1 264 . 19 1 1 A 25 25 ASP N N 25 126.172 120.944 5.228 1
1 265 . 19 1 1 A 26 26 HIS H H 26 9.152 8.886 0.266 1
1 266 . 19 1 1 A 26 26 HIS HA H 26 4.542 5.272 -0.730 1
1 271 . 19 1 1 A 26 26 HIS C C 26 174.917 174.924 -0.007 1
1 272 . 19 1 1 A 26 26 HIS CA C 26 56.700 55.502 1.198 1
1 273 . 19 1 1 A 26 26 HIS CB C 26 30.185 29.785 0.400 1
1 276 . 19 1 1 A 26 26 HIS N N 26 124.402 126.687 -2.285 1
1 277 . 19 1 1 A 27 27 ALA H H 27 9.121 8.729 0.392 1
1 278 . 19 1 1 A 27 27 ALA HA H 27 3.984 4.497 -0.513 1
1 282 . 19 1 1 A 27 27 ALA C C 27 176.927 174.202 2.725 1
1 283 . 19 1 1 A 27 27 ALA CA C 27 53.240 63.181 -9.941 1
1 284 . 19 1 1 A 27 27 ALA CB C 27 17.122 69.851 -52.729 1
1 285 . 19 1 1 A 27 27 ALA N N 27 121.895 120.359 1.536 1
1 286 . 19 1 1 A 28 28 ASN H H 28 8.140 8.738 -0.598 1
1 287 . 19 1 1 A 28 28 ASN HA H 28 4.628 4.861 -0.233 1
1 292 . 19 1 1 A 28 28 ASN C C 28 176.389 175.175 1.214 1
1 293 . 19 1 1 A 28 28 ASN CA C 28 52.466 55.460 -2.994 1
1 294 . 19 1 1 A 28 28 ASN CB C 28 38.624 30.855 7.769 1
1 295 . 19 1 1 A 28 28 ASN N N 28 114.287 124.416 -10.129 1
1 297 . 19 1 1 A 29 29 GLY H H 29 8.254 9.426 -1.172 1
1 300 . 19 1 1 A 29 29 GLY C C 29 174.848 174.952 -0.104 1
1 301 . 19 1 1 A 29 29 GLY CA C 29 45.354 60.043 -14.689 1
1 302 . 19 1 1 A 29 29 GLY N N 29 108.650 126.741 -18.091 1
1 303 . 19 1 1 A 30 30 GLU H H 30 7.860 8.998 -1.138 1
1 304 . 19 1 1 A 30 30 GLU HA H 30 4.267 5.029 -0.762 1
1 309 . 19 1 1 A 30 30 GLU C C 30 176.802 174.047 2.755 1
1 310 . 19 1 1 A 30 30 GLU CA C 30 56.348 61.987 -5.639 1
1 311 . 19 1 1 A 30 30 GLU CB C 30 30.460 68.994 -38.534 1
1 313 . 19 1 1 A 30 30 GLU N N 30 119.375 123.111 -3.736 1
1 314 . 19 1 1 A 31 31 GLN H H 31 8.280 9.382 -1.102 1
1 315 . 19 1 1 A 31 31 GLN HA H 31 4.222 5.000 -0.778 1
1 322 . 19 1 1 A 31 31 GLN C C 31 175.995 175.553 0.442 1
1 323 . 19 1 1 A 31 31 GLN CA C 31 55.917 53.157 2.760 1
1 324 . 19 1 1 A 31 31 GLN CB C 31 30.002 44.315 -14.313 1
1 326 . 19 1 1 A 31 31 GLN N N 31 120.036 127.625 -7.589 1
1 328 . 19 1 1 A 32 32 GLN H H 32 7.520 8.793 -1.273 1
1 329 . 19 1 1 A 32 32 GLN HA H 32 4.905 4.773 0.132 1
1 336 . 19 1 1 A 32 32 GLN C C 32 176.112 175.748 0.364 1
1 337 . 19 1 1 A 32 32 GLN CA C 32 56.211 55.475 0.736 1
1 338 . 19 1 1 A 32 32 GLN CB C 32 30.863 31.186 -0.323 1
1 340 . 19 1 1 A 32 32 GLN N N 32 123.146 124.597 -1.451 1
1 342 . 19 1 1 A 33 33 THR H H 33 8.533 8.751 -0.218 1
1 343 . 19 1 1 A 33 33 THR HA H 33 4.621 4.647 -0.026 1
1 348 . 19 1 1 A 33 33 THR C C 33 173.112 174.128 -1.016 1
1 349 . 19 1 1 A 33 33 THR CA C 33 61.506 58.639 2.867 1
1 350 . 19 1 1 A 33 33 THR CB C 33 71.605 34.843 36.762 1
1 352 . 19 1 1 A 33 33 THR N N 33 118.233 121.135 -2.902 1
1 353 . 19 1 1 A 34 34 GLU H H 34 8.711 8.720 -0.009 1
1 354 . 19 1 1 A 34 34 GLU HA H 34 4.939 4.259 0.680 1
1 359 . 19 1 1 A 34 34 GLU C C 34 175.108 175.623 -0.515 1
1 360 . 19 1 1 A 34 34 GLU CA C 34 55.553 58.058 -2.505 1
1 361 . 19 1 1 A 34 34 GLU CB C 34 31.950 63.776 -31.826 1
1 363 . 19 1 1 A 34 34 GLU N N 34 124.692 120.569 4.123 1
1 364 . 19 1 1 A 35 35 ILE H H 35 9.115 8.912 0.203 1
1 375 . 19 1 1 A 35 35 ILE C C 35 174.282 175.010 -0.728 1
1 376 . 19 1 1 A 35 35 ILE CA C 35 59.057 47.390 11.667 1
1 381 . 19 1 1 A 35 35 ILE N N 35 127.113 112.364 14.749 1
1 382 . 19 1 1 A 36 36 THR H H 36 8.545 7.865 0.680 1
1 383 . 19 1 1 A 36 36 THR HA H 36 4.772 4.628 0.144 1
1 388 . 19 1 1 A 36 36 THR C C 36 174.054 176.006 -1.952 1
1 389 . 19 1 1 A 36 36 THR CA C 36 62.257 54.391 7.866 1
1 390 . 19 1 1 A 36 36 THR CB C 36 68.948 41.144 27.804 1
1 392 . 19 1 1 A 36 36 THR N N 36 123.057 121.264 1.793 1
1 393 . 19 1 1 A 37 37 LEU H H 37 9.161 7.315 1.846 1
1 394 . 19 1 1 A 37 37 LEU HA H 37 4.503 4.286 0.217 1
1 404 . 19 1 1 A 37 37 LEU C C 37 175.047 176.039 -0.992 1
1 405 . 19 1 1 A 37 37 LEU CA C 37 52.646 54.998 -2.352 1
1 406 . 19 1 1 A 37 37 LEU CB C 37 45.951 42.936 3.015 1
1 410 . 19 1 1 A 37 37 LEU N N 37 128.195 121.012 7.183 1
1 411 . 19 1 1 A 38 38 ARG H H 38 8.258 8.661 -0.403 1
1 412 . 19 1 1 A 38 38 ARG HA H 38 4.556 5.094 -0.538 1
1 420 . 19 1 1 A 38 38 ARG C C 38 175.726 176.576 -0.850 1
1 421 . 19 1 1 A 38 38 ARG CA C 38 55.701 55.259 0.442 1
1 422 . 19 1 1 A 38 38 ARG CB C 38 29.601 31.434 -1.833 1
1 425 . 19 1 1 A 38 38 ARG N N 38 122.992 121.578 1.414 1
1 427 . 19 1 1 A 39 39 VAL H H 39 8.635 9.102 -0.467 1
1 428 . 19 1 1 A 39 39 VAL HA H 39 4.358 3.565 0.793 1
1 436 . 19 1 1 A 39 39 VAL C C 39 172.241 178.739 -6.498 1
1 437 . 19 1 1 A 39 39 VAL CA C 39 58.334 65.204 -6.870 1
1 438 . 19 1 1 A 39 39 VAL CB C 39 35.214 37.807 -2.593 1
1 441 . 19 1 1 A 39 39 VAL N N 39 118.388 120.908 -2.520 1
1 442 . 19 1 1 A 40 40 SER H H 40 6.388 8.182 -1.794 1
1 446 . 19 1 1 A 40 40 SER C C 40 175.046 176.762 -1.716 1
1 447 . 19 1 1 A 40 40 SER CA C 40 56.216 47.317 8.899 1
1 449 . 19 1 1 A 40 40 SER N N 40 108.799 108.781 0.018 1
1 450 . 19 1 1 A 41 41 GLY H H 41 9.085 8.094 0.991 1
1 451 . 19 1 1 A 41 41 GLY HA2 H 41 3.850 3.344 0.506 1
1 452 . 19 1 1 A 41 41 GLY HA3 H 41 4.321 3.656 0.665 1
1 453 . 19 1 1 A 41 41 GLY C C 41 173.137 175.843 -2.706 1
1 454 . 19 1 1 A 41 41 GLY CA C 41 47.346 46.680 0.666 1
1 455 . 19 1 1 A 41 41 GLY N N 41 107.767 109.570 -1.803 1
1 456 . 19 1 1 A 42 42 ASP H H 42 7.994 7.571 0.423 1
1 457 . 19 1 1 A 42 42 ASP HA H 42 4.498 3.556 0.942 1
1 460 . 19 1 1 A 42 42 ASP C C 42 175.609 177.617 -2.008 1
1 461 . 19 1 1 A 42 42 ASP CA C 42 53.241 65.684 -12.443 1
1 462 . 19 1 1 A 42 42 ASP CB C 42 40.331 31.541 8.790 1
1 463 . 19 1 1 A 42 42 ASP N N 42 112.956 121.700 -8.744 1
1 464 . 19 1 1 A 43 43 LEU H H 43 7.431 8.077 -0.646 1
1 465 . 19 1 1 A 43 43 LEU HA H 43 4.210 3.582 0.628 1
1 475 . 19 1 1 A 43 43 LEU C C 43 175.552 178.072 -2.520 1
1 476 . 19 1 1 A 43 43 LEU CA C 43 55.199 58.718 -3.519 1
1 477 . 19 1 1 A 43 43 LEU CB C 43 42.398 32.732 9.666 1
1 481 . 19 1 1 A 43 43 LEU N N 43 123.293 117.501 5.792 1
1 482 . 19 1 1 A 44 44 HIS H H 44 8.405 7.951 0.454 1
1 483 . 19 1 1 A 44 44 HIS HA H 44 5.154 3.858 1.296 1
1 488 . 19 1 1 A 44 44 HIS C C 44 177.511 178.744 -1.233 1
1 489 . 19 1 1 A 44 44 HIS CA C 44 54.692 57.377 -2.685 1
1 490 . 19 1 1 A 44 44 HIS CB C 44 30.868 41.403 -10.535 1
1 493 . 19 1 1 A 44 44 HIS N N 44 121.975 120.720 1.255 1
1 494 . 19 1 1 A 45 45 ILE H H 45 8.628 7.690 0.938 1
1 495 . 19 1 1 A 45 45 ILE HA H 45 3.445 3.914 -0.469 1
1 505 . 19 1 1 A 45 45 ILE C C 45 179.116 178.922 0.194 1
1 506 . 19 1 1 A 45 45 ILE CA C 45 62.585 58.880 3.705 1
1 507 . 19 1 1 A 45 45 ILE CB C 45 35.492 31.509 3.983 1
1 511 . 19 1 1 A 45 45 ILE N N 45 124.304 118.959 5.345 1
1 512 . 19 1 1 A 46 46 GLY H H 46 9.792 7.390 2.402 1
1 515 . 19 1 1 A 46 46 GLY C C 46 175.742 178.784 -3.042 1
1 516 . 19 1 1 A 46 46 GLY CA C 46 46.812 57.915 -11.103 1
1 517 . 19 1 1 A 46 46 GLY N N 46 106.610 120.628 -14.018 1
1 518 . 19 1 1 A 47 47 GLY H H 47 6.761 7.846 -1.085 1
1 521 . 19 1 1 A 47 47 GLY C C 47 176.182 177.886 -1.704 1
1 522 . 19 1 1 A 47 47 GLY CA C 47 46.819 66.463 -19.644 1
1 523 . 19 1 1 A 47 47 GLY N N 47 109.580 118.017 -8.437 1
1 524 . 19 1 1 A 48 48 VAL H H 48 7.669 8.020 -0.351 1
1 525 . 19 1 1 A 48 48 VAL HA H 48 3.083 4.300 -1.217 1
1 533 . 19 1 1 A 48 48 VAL C C 48 176.849 178.886 -2.037 1
1 534 . 19 1 1 A 48 48 VAL CA C 48 66.775 58.404 8.371 1
1 535 . 19 1 1 A 48 48 VAL CB C 48 30.944 28.300 2.644 1
1 538 . 19 1 1 A 48 48 VAL N N 48 123.461 119.434 4.027 1
1 539 . 19 1 1 A 49 49 MET H H 49 7.632 7.586 0.046 1
1 540 . 19 1 1 A 49 49 MET HA H 49 3.143 4.074 -0.931 1
1 548 . 19 1 1 A 49 49 MET C C 49 176.774 177.557 -0.783 1
1 549 . 19 1 1 A 49 49 MET CA C 49 59.972 58.711 1.261 1
1 550 . 19 1 1 A 49 49 MET CB C 49 33.142 28.668 4.474 1
1 553 . 19 1 1 A 49 49 MET N N 49 115.691 120.161 -4.470 1
1 554 . 19 1 1 A 50 50 LEU H H 50 7.535 7.657 -0.122 1
1 555 . 19 1 1 A 50 50 LEU HA H 50 3.821 4.521 -0.700 1
1 565 . 19 1 1 A 50 50 LEU C C 50 179.001 175.898 3.103 1
1 566 . 19 1 1 A 50 50 LEU CA C 50 57.910 57.809 0.101 1
1 567 . 19 1 1 A 50 50 LEU CB C 50 41.821 33.461 8.360 1
1 571 . 19 1 1 A 50 50 LEU N N 50 117.445 116.356 1.089 1
1 572 . 19 1 1 A 51 51 LYS H H 51 7.447 8.555 -1.108 1
1 573 . 19 1 1 A 51 51 LYS HA H 51 3.880 4.353 -0.473 1
1 582 . 19 1 1 A 51 51 LYS C C 51 178.975 174.173 4.802 1
1 583 . 19 1 1 A 51 51 LYS CA C 51 59.003 54.176 4.827 1
1 584 . 19 1 1 A 51 51 LYS CB C 51 32.890 36.827 -3.937 1
1 588 . 19 1 1 A 51 51 LYS N N 51 118.306 114.503 3.803 1
1 589 . 19 1 1 A 52 52 LEU H H 52 7.547 7.974 -0.427 1
1 590 . 19 1 1 A 52 52 LEU HA H 52 3.523 4.533 -1.010 1
1 600 . 19 1 1 A 52 52 LEU C C 52 177.676 175.611 2.065 1
1 601 . 19 1 1 A 52 52 LEU CA C 52 58.038 60.036 -1.998 1
1 602 . 19 1 1 A 52 52 LEU CB C 52 41.660 39.626 2.034 1
1 606 . 19 1 1 A 52 52 LEU N N 52 119.198 119.451 -0.253 1
1 607 . 19 1 1 A 53 53 VAL H H 53 7.368 8.590 -1.222 1
1 608 . 19 1 1 A 53 53 VAL HA H 53 2.469 4.434 -1.965 1
1 616 . 19 1 1 A 53 53 VAL C C 53 179.189 176.015 3.174 1
1 617 . 19 1 1 A 53 53 VAL CA C 53 66.706 51.885 14.821 1
1 618 . 19 1 1 A 53 53 VAL CB C 53 31.343 17.575 13.768 1
1 621 . 19 1 1 A 53 53 VAL N N 53 117.879 129.932 -12.053 1
1 622 . 19 1 1 A 54 54 GLU H H 54 7.966 8.314 -0.348 1
1 623 . 19 1 1 A 54 54 GLU HA H 54 3.865 4.818 -0.953 1
1 628 . 19 1 1 A 54 54 GLU C C 54 178.593 173.376 5.217 1
1 629 . 19 1 1 A 54 54 GLU CA C 54 58.935 54.113 4.822 1
1 630 . 19 1 1 A 54 54 GLU CB C 54 29.772 31.854 -2.082 1
1 632 . 19 1 1 A 54 54 GLU N N 54 119.295 118.876 0.419 1
1 633 . 19 1 1 A 55 55 GLN H H 55 7.651 8.483 -0.832 1
1 634 . 19 1 1 A 55 55 GLN HA H 55 4.005 5.330 -1.325 1
1 641 . 19 1 1 A 55 55 GLN C C 55 177.512 175.954 1.558 1
1 642 . 19 1 1 A 55 55 GLN CA C 55 57.362 52.396 4.966 1
1 643 . 19 1 1 A 55 55 GLN CB C 55 28.938 42.228 -13.290 1
1 645 . 19 1 1 A 55 55 GLN N N 55 116.036 119.826 -3.790 1
1 647 . 19 1 1 A 56 56 MET H H 56 7.691 8.677 -0.986 1
1 648 . 19 1 1 A 56 56 MET HA H 56 4.316 4.452 -0.136 1
1 656 . 19 1 1 A 56 56 MET C C 56 176.572 176.948 -0.376 1
1 657 . 19 1 1 A 56 56 MET CA C 56 56.492 60.598 -4.106 1
1 658 . 19 1 1 A 56 56 MET CB C 56 32.901 29.832 3.069 1
1 661 . 19 1 1 A 56 56 MET N N 56 117.664 125.736 -8.072 1
1 662 . 19 1 1 A 57 57 ASN H H 57 7.816 8.549 -0.733 1
1 663 . 19 1 1 A 57 57 ASN HA H 57 4.495 4.493 0.002 1
1 668 . 19 1 1 A 57 57 ASN C C 57 174.613 173.738 0.875 1
1 669 . 19 1 1 A 57 57 ASN CA C 57 53.813 60.890 -7.077 1
1 670 . 19 1 1 A 57 57 ASN CB C 57 37.713 62.922 -25.209 1
1 671 . 19 1 1 A 57 57 ASN N N 57 115.864 115.087 0.777 1
1 673 . 19 1 1 A 58 58 ILE H H 58 8.391 8.635 -0.244 1
1 674 . 19 1 1 A 58 58 ILE HA H 58 4.284 4.644 -0.360 1
1 684 . 19 1 1 A 58 58 ILE C C 58 175.277 174.326 0.951 1
1 685 . 19 1 1 A 58 58 ILE CA C 58 60.631 52.802 7.829 1
1 686 . 19 1 1 A 58 58 ILE CB C 58 41.470 39.375 2.095 1
1 690 . 19 1 1 A 58 58 ILE N N 58 117.760 124.336 -6.576 1
1 691 . 19 1 1 A 59 59 ALA H H 59 8.438 8.029 0.409 1
1 692 . 19 1 1 A 59 59 ALA HA H 59 4.535 5.449 -0.914 1
1 696 . 19 1 1 A 59 59 ALA C C 59 175.554 174.741 0.813 1
1 697 . 19 1 1 A 59 59 ALA CA C 59 51.604 55.629 -4.025 1
1 698 . 19 1 1 A 59 59 ALA CB C 59 17.256 41.041 -23.785 1
1 699 . 19 1 1 A 59 59 ALA N N 59 129.371 120.286 9.085 1
1 700 . 19 1 1 A 60 60 GLN H H 60 7.498 8.484 -0.986 1
1 701 . 19 1 1 A 60 60 GLN HA H 60 4.291 5.098 -0.807 1
1 708 . 19 1 1 A 60 60 GLN C C 60 172.908 175.348 -2.440 1
1 709 . 19 1 1 A 60 60 GLN CA C 60 53.492 51.552 1.940 1
1 710 . 19 1 1 A 60 60 GLN CB C 60 30.340 24.021 6.319 1
1 712 . 19 1 1 A 60 60 GLN N N 60 120.550 122.090 -1.540 1
1 714 . 19 1 1 A 61 61 ASP H H 61 8.086 8.967 -0.881 1
1 715 . 19 1 1 A 61 61 ASP HA H 61 4.622 5.421 -0.799 1
1 718 . 19 1 1 A 61 61 ASP C C 61 177.529 174.680 2.849 1
1 719 . 19 1 1 A 61 61 ASP CA C 61 53.520 53.608 -0.088 1
1 720 . 19 1 1 A 61 61 ASP CB C 61 40.493 45.162 -4.669 1
1 721 . 19 1 1 A 61 61 ASP N N 61 118.225 121.253 -3.028 1
1 722 . 19 1 1 A 62 62 TRP H H 62 8.999 9.457 -0.458 1
1 723 . 19 1 1 A 62 62 TRP HA H 62 4.578 5.384 -0.806 1
1 732 . 19 1 1 A 62 62 TRP C C 62 178.609 174.334 4.275 1
1 733 . 19 1 1 A 62 62 TRP CA C 62 57.200 54.660 2.540 1
1 734 . 19 1 1 A 62 62 TRP CB C 62 29.155 32.233 -3.078 1
1 740 . 19 1 1 A 62 62 TRP N N 62 129.134 127.894 1.240 1
1 742 . 19 1 1 A 63 63 SER H H 63 8.756 8.870 -0.114 1
1 743 . 19 1 1 A 63 63 SER HA H 63 4.127 4.850 -0.723 1
1 746 . 19 1 1 A 63 63 SER C C 63 175.119 175.492 -0.373 1
1 747 . 19 1 1 A 63 63 SER CA C 63 62.933 55.886 7.047 1
1 748 . 19 1 1 A 63 63 SER CB C 63 63.120 29.810 33.310 1
1 749 . 19 1 1 A 63 63 SER N N 63 119.231 129.696 -10.465 1
1 750 . 19 1 1 A 64 64 ASP H H 64 9.095 8.432 0.663 1
1 751 . 19 1 1 A 64 64 ASP HA H 64 4.876 3.946 0.930 1
1 754 . 19 1 1 A 64 64 ASP C C 64 177.267 178.254 -0.987 1
1 755 . 19 1 1 A 64 64 ASP CA C 64 54.157 59.564 -5.407 1
1 756 . 19 1 1 A 64 64 ASP CB C 64 43.116 29.606 13.510 1
1 757 . 19 1 1 A 64 64 ASP N N 64 120.137 126.389 -6.252 1
1 758 . 19 1 1 A 65 65 TYR H H 65 7.991 8.206 -0.215 1
1 759 . 19 1 1 A 65 65 TYR HA H 65 4.151 4.076 0.075 1
1 766 . 19 1 1 A 65 65 TYR C C 65 175.746 176.741 -0.995 1
1 767 . 19 1 1 A 65 65 TYR CA C 65 59.053 58.121 0.932 1
1 768 . 19 1 1 A 65 65 TYR CB C 65 38.836 28.577 10.259 1
1 773 . 19 1 1 A 65 65 TYR N N 65 121.458 118.799 2.659 1
1 774 . 19 1 1 A 66 66 ALA H H 66 8.698 6.755 1.943 1
1 775 . 19 1 1 A 66 66 ALA HA H 66 4.794 4.097 0.697 1
1 779 . 19 1 1 A 66 66 ALA C C 66 175.126 175.213 -0.087 1
1 780 . 19 1 1 A 66 66 ALA CA C 66 51.166 55.011 -3.845 1
1 781 . 19 1 1 A 66 66 ALA CB C 66 23.771 33.098 -9.327 1
1 782 . 19 1 1 A 66 66 ALA N N 66 122.944 116.564 6.380 1
1 783 . 19 1 1 A 67 67 LEU H H 67 9.131 7.333 1.798 1
1 784 . 19 1 1 A 67 67 LEU HA H 67 5.498 3.231 2.267 1
1 794 . 19 1 1 A 67 67 LEU C C 67 174.489 173.970 0.519 1
1 795 . 19 1 1 A 67 67 LEU CA C 67 53.987 56.562 -2.575 1
1 796 . 19 1 1 A 67 67 LEU CB C 67 44.080 26.826 17.254 1
1 800 . 19 1 1 A 67 67 LEU N N 67 118.646 115.780 2.866 1
1 801 . 19 1 1 A 68 68 TRP H H 68 9.934 6.546 3.388 1
1 802 . 19 1 1 A 68 68 TRP HA H 68 4.680 4.901 -0.221 1
1 811 . 19 1 1 A 68 68 TRP C C 68 174.148 172.762 1.386 1
1 812 . 19 1 1 A 68 68 TRP CA C 68 55.276 56.650 -1.374 1
1 813 . 19 1 1 A 68 68 TRP CB C 68 30.222 31.087 -0.865 1
1 819 . 19 1 1 A 68 68 TRP N N 68 126.978 112.982 13.996 1
1 821 . 19 1 1 A 69 69 TRP H H 69 8.507 9.022 -0.515 1
1 822 . 19 1 1 A 69 69 TRP HA H 69 5.060 5.541 -0.481 1
1 831 . 19 1 1 A 69 69 TRP C C 69 175.837 176.147 -0.310 1
1 832 . 19 1 1 A 69 69 TRP CA C 69 52.520 56.285 -3.765 1
1 833 . 19 1 1 A 69 69 TRP CB C 69 30.500 31.283 -0.783 1
1 839 . 19 1 1 A 69 69 TRP N N 69 129.756 123.843 5.913 1
1 841 . 19 1 1 A 70 70 GLU H H 70 8.917 9.523 -0.606 1
1 842 . 19 1 1 A 70 70 GLU HA H 70 3.817 4.441 -0.624 1
1 847 . 19 1 1 A 70 70 GLU C C 70 179.449 176.919 2.530 1
1 848 . 19 1 1 A 70 70 GLU CA C 70 60.208 54.812 5.396 1
1 849 . 19 1 1 A 70 70 GLU CB C 70 29.937 40.835 -10.898 1
1 851 . 19 1 1 A 70 70 GLU N N 70 126.517 126.341 0.176 1
1 852 . 19 1 1 A 71 71 GLN H H 71 8.515 8.113 0.402 1
1 853 . 19 1 1 A 71 71 GLN HA H 71 3.782 4.757 -0.975 1
1 860 . 19 1 1 A 71 71 GLN C C 71 177.266 176.995 0.271 1
1 861 . 19 1 1 A 71 71 GLN CA C 71 61.006 54.267 6.739 1
1 862 . 19 1 1 A 71 71 GLN CB C 71 27.451 42.107 -14.656 1
1 864 . 19 1 1 A 71 71 GLN N N 71 114.822 125.932 -11.110 1
1 866 . 19 1 1 A 72 72 LYS H H 72 5.086 7.469 -2.383 1
1 867 . 19 1 1 A 72 72 LYS HA H 72 3.719 4.396 -0.677 1
1 876 . 19 1 1 A 72 72 LYS C C 72 174.268 177.326 -3.058 1
1 877 . 19 1 1 A 72 72 LYS CA C 72 53.864 54.933 -1.069 1
1 878 . 19 1 1 A 72 72 LYS CB C 72 33.242 30.030 3.212 1
1 882 . 19 1 1 A 72 72 LYS N N 72 112.499 120.203 -7.704 1
1 883 . 19 1 1 A 73 73 ARG H H 73 7.402 7.965 -0.563 1
1 884 . 19 1 1 A 73 73 ARG HA H 73 2.800 4.140 -1.340 1
1 892 . 19 1 1 A 73 73 ARG C C 73 173.935 177.008 -3.073 1
1 893 . 19 1 1 A 73 73 ARG CA C 73 56.187 65.346 -9.159 1
1 894 . 19 1 1 A 73 73 ARG CB C 73 26.602 68.824 -42.222 1
1 897 . 19 1 1 A 73 73 ARG N N 73 118.477 113.142 5.335 1
1 899 . 19 1 1 A 74 74 CYS H H 74 6.242 7.914 -1.672 1
1 900 . 19 1 1 A 74 74 CYS HA H 74 4.671 4.341 0.330 1
1 903 . 19 1 1 A 74 74 CYS C C 74 171.332 175.782 -4.450 1
1 904 . 19 1 1 A 74 74 CYS CA C 74 54.443 58.197 -3.754 1
1 905 . 19 1 1 A 74 74 CYS CB C 74 31.599 30.593 1.006 1
1 906 . 19 1 1 A 74 74 CYS N N 74 110.705 121.861 -11.156 1
1 907 . 19 1 1 A 75 75 TRP H H 75 8.567 7.652 0.915 1
1 908 . 19 1 1 A 75 75 TRP HA H 75 5.414 4.545 0.869 1
1 917 . 19 1 1 A 75 75 TRP C C 75 177.638 176.257 1.381 1
1 918 . 19 1 1 A 75 75 TRP CA C 75 55.720 57.396 -1.676 1
1 919 . 19 1 1 A 75 75 TRP CB C 75 30.966 30.227 0.739 1
1 925 . 19 1 1 A 75 75 TRP N N 75 120.876 119.054 1.822 1
1 927 . 19 1 1 A 76 76 LEU H H 76 9.181 8.536 0.645 1
1 928 . 19 1 1 A 76 76 LEU HA H 76 4.737 4.989 -0.252 1
1 938 . 19 1 1 A 76 76 LEU C C 76 175.745 176.363 -0.618 1
1 939 . 19 1 1 A 76 76 LEU CA C 76 53.729 60.136 -6.407 1
1 940 . 19 1 1 A 76 76 LEU CB C 76 40.810 71.809 -30.999 1
1 944 . 19 1 1 A 76 76 LEU N N 76 125.488 114.270 11.218 1
1 945 . 19 1 1 A 77 77 LEU H H 77 7.711 8.771 -1.060 1
1 946 . 19 1 1 A 77 77 LEU HA H 77 4.416 4.053 0.363 1
1 956 . 19 1 1 A 77 77 LEU C C 77 178.257 178.825 -0.568 1
1 957 . 19 1 1 A 77 77 LEU CA C 77 54.539 58.162 -3.623 1
1 958 . 19 1 1 A 77 77 LEU CB C 77 42.566 41.570 0.996 1
1 962 . 19 1 1 A 77 77 LEU N N 77 119.493 122.397 -2.904 1
1 963 . 19 1 1 A 78 78 LYS H H 78 8.173 8.571 -0.398 1
1 964 . 19 1 1 A 78 78 LYS HA H 78 4.380 4.402 -0.022 1
1 973 . 19 1 1 A 78 78 LYS C C 78 177.029 178.137 -1.108 1
1 974 . 19 1 1 A 78 78 LYS CA C 78 54.048 56.990 -2.942 1
1 975 . 19 1 1 A 78 78 LYS CB C 78 28.755 39.945 -11.190 1
1 979 . 19 1 1 A 78 78 LYS N N 78 121.730 118.352 3.378 1
1 980 . 19 1 1 A 79 79 THR H H 79 7.812 7.748 0.064 1
1 981 . 19 1 1 A 79 79 THR HA H 79 3.677 3.981 -0.304 1
1 986 . 19 1 1 A 79 79 THR C C 79 175.193 178.966 -3.773 1
1 987 . 19 1 1 A 79 79 THR CA C 79 64.890 59.233 5.657 1
1 988 . 19 1 1 A 79 79 THR CB C 79 68.447 31.914 36.533 1
1 990 . 19 1 1 A 79 79 THR N N 79 114.142 119.527 -5.385 1
1 991 . 19 1 1 A 80 80 HIS H H 80 8.929 7.884 1.045 1
1 992 . 19 1 1 A 80 80 HIS HA H 80 4.759 4.792 -0.033 1
1 995 . 19 1 1 A 80 80 HIS C C 80 175.622 175.492 0.130 1
1 996 . 19 1 1 A 80 80 HIS CA C 80 56.078 60.106 -4.028 1
1 997 . 19 1 1 A 80 80 HIS CB C 80 29.927 27.972 1.955 1
1 998 . 19 1 1 A 80 80 HIS N N 80 117.372 115.908 1.464 1
1 999 . 19 1 1 A 81 81 TRP H H 81 8.544 8.286 0.258 1
1 1009 . 19 1 1 A 81 81 TRP C C 81 175.952 174.314 1.638 1
1 1010 . 19 1 1 A 81 81 TRP CA C 81 56.009 45.865 10.144 1
1 1017 . 19 1 1 A 81 81 TRP N N 81 122.512 108.876 13.636 1
1 1019 . 19 1 1 A 82 82 THR H H 82 7.587 7.396 0.191 1
1 1020 . 19 1 1 A 82 82 THR HA H 82 4.725 4.347 0.378 1
1 1025 . 19 1 1 A 82 82 THR C C 82 176.305 174.949 1.356 1
1 1026 . 19 1 1 A 82 82 THR CA C 82 60.250 60.498 -0.248 1
1 1027 . 19 1 1 A 82 82 THR CB C 82 70.601 32.511 38.090 1
1 1029 . 19 1 1 A 82 82 THR N N 82 109.728 121.236 -11.508 1
1 1030 . 19 1 1 A 83 83 LEU H H 83 8.354 8.897 -0.543 1
1 1031 . 19 1 1 A 83 83 LEU HA H 83 3.798 4.026 -0.228 1
1 1040 . 19 1 1 A 83 83 LEU C C 83 179.461 176.863 2.598 1
1 1041 . 19 1 1 A 83 83 LEU CA C 83 59.442 54.120 5.322 1
1 1042 . 19 1 1 A 83 83 LEU CB C 83 40.758 30.217 10.541 1
1 1045 . 19 1 1 A 83 83 LEU N N 83 122.120 127.322 -5.202 1
1 1046 . 19 1 1 A 84 84 ASP H H 84 8.985 8.112 0.873 1
1 1047 . 19 1 1 A 84 84 ASP HA H 84 4.427 4.209 0.218 1
1 1050 . 19 1 1 A 84 84 ASP C C 84 179.464 177.562 1.902 1
1 1051 . 19 1 1 A 84 84 ASP CA C 84 57.459 53.763 3.696 1
1 1052 . 19 1 1 A 84 84 ASP CB C 84 40.243 18.776 21.467 1
1 1053 . 19 1 1 A 84 84 ASP N N 84 118.020 122.885 -4.865 1
1 1054 . 19 1 1 A 85 85 LYS H H 85 8.134 8.236 -0.102 1
1 1055 . 19 1 1 A 85 85 LYS HA H 85 3.820 4.651 -0.831 1
1 1064 . 19 1 1 A 85 85 LYS C C 85 178.824 176.270 2.554 1
1 1065 . 19 1 1 A 85 85 LYS CA C 85 59.103 53.606 5.497 1
1 1066 . 19 1 1 A 85 85 LYS CB C 85 32.229 40.193 -7.964 1
1 1070 . 19 1 1 A 85 85 LYS N N 85 123.380 115.399 7.981 1
1 1071 . 19 1 1 A 86 86 CYS H H 86 8.083 7.006 1.077 1
1 1072 . 19 1 1 A 86 86 CYS HA H 86 4.439 4.443 -0.004 1
1 1075 . 19 1 1 A 86 86 CYS C C 86 174.621 177.240 -2.619 1
1 1076 . 19 1 1 A 86 86 CYS CA C 86 61.800 51.814 9.986 1
1 1077 . 19 1 1 A 86 86 CYS CB C 86 28.700 19.631 9.069 1
1 1078 . 19 1 1 A 86 86 CYS N N 86 113.734 123.504 -9.770 1
1 1079 . 19 1 1 A 87 87 GLY H H 87 7.904 8.751 -0.847 1
1 1082 . 19 1 1 A 87 87 GLY C C 87 174.471 174.218 0.253 1
1 1083 . 19 1 1 A 87 87 GLY CA C 87 45.434 53.155 -7.721 1
1 1084 . 19 1 1 A 87 87 GLY N N 87 107.243 120.298 -13.055 1
1 1085 . 19 1 1 A 88 88 VAL H H 88 7.635 8.495 -0.860 1
1 1086 . 19 1 1 A 88 88 VAL HA H 88 3.165 5.025 -1.860 1
1 1094 . 19 1 1 A 88 88 VAL C C 88 173.926 175.025 -1.099 1
1 1095 . 19 1 1 A 88 88 VAL CA C 88 63.281 53.468 9.813 1
1 1096 . 19 1 1 A 88 88 VAL CB C 88 31.892 44.713 -12.821 1
1 1099 . 19 1 1 A 88 88 VAL N N 88 122.351 126.704 -4.353 1
1 1100 . 19 1 1 A 89 89 GLN H H 89 7.651 9.487 -1.836 1
1 1101 . 19 1 1 A 89 89 GLN HA H 89 3.946 5.849 -1.903 1
1 1108 . 19 1 1 A 89 89 GLN C C 89 175.629 174.231 1.398 1
1 1109 . 19 1 1 A 89 89 GLN CA C 89 53.861 52.666 1.195 1
1 1110 . 19 1 1 A 89 89 GLN CB C 89 31.010 46.058 -15.048 1
1 1112 . 19 1 1 A 89 89 GLN N N 89 125.820 128.226 -2.406 1
1 1114 . 19 1 1 A 90 90 ALA H H 90 7.025 9.595 -2.570 1
1 1115 . 19 1 1 A 90 90 ALA HA H 90 3.873 5.458 -1.585 1
1 1119 . 19 1 1 A 90 90 ALA C C 90 177.042 173.931 3.111 1
1 1120 . 19 1 1 A 90 90 ALA CA C 90 54.869 55.476 -0.607 1
1 1121 . 19 1 1 A 90 90 ALA CB C 90 18.818 41.529 -22.711 1
1 1122 . 19 1 1 A 90 90 ALA N N 90 118.713 127.740 -9.027 1
1 1123 . 19 1 1 A 91 91 ASP H H 91 8.310 8.519 -0.209 1
1 1124 . 19 1 1 A 91 91 ASP HA H 91 4.415 4.791 -0.376 1
1 1127 . 19 1 1 A 91 91 ASP C C 91 176.371 171.438 4.933 1
1 1128 . 19 1 1 A 91 91 ASP CA C 91 53.133 58.061 -4.928 1
1 1129 . 19 1 1 A 91 91 ASP CB C 91 39.673 72.514 -32.841 1
1 1130 . 19 1 1 A 91 91 ASP N N 91 113.050 121.559 -8.509 1
1 1132 . 19 1 1 A 92 92 ALA HA H 92 4.237 4.731 -0.494 1
1 1136 . 19 1 1 A 92 92 ALA C C 92 176.536 176.932 -0.396 1
1 1137 . 19 1 1 A 92 92 ALA CA C 92 53.721 62.867 -9.146 1
1 1138 . 19 1 1 A 92 92 ALA CB C 92 19.774 32.246 -12.472 1
1 1139 . 19 1 1 A 92 92 ALA N N 92 124.114 141.397 -17.283 1
1 1140 . 19 1 1 A 93 93 ASN H H 93 9.478 8.278 1.200 1
1 1141 . 19 1 1 A 93 93 ASN HA H 93 5.141 4.127 1.014 1
1 1146 . 19 1 1 A 93 93 ASN C C 93 173.906 174.685 -0.779 1
1 1147 . 19 1 1 A 93 93 ASN CA C 93 52.433 55.528 -3.095 1
1 1148 . 19 1 1 A 93 93 ASN CB C 93 38.547 27.178 11.369 1
1 1149 . 19 1 1 A 93 93 ASN N N 93 123.235 119.323 3.912 1
1 1151 . 19 1 1 A 94 94 LEU H H 94 8.675 8.344 0.331 1
1 1152 . 19 1 1 A 94 94 LEU HA H 94 5.429 5.061 0.368 1
1 1162 . 19 1 1 A 94 94 LEU C C 94 175.486 173.558 1.928 1
1 1163 . 19 1 1 A 94 94 LEU CA C 94 53.003 54.407 -1.404 1
1 1164 . 19 1 1 A 94 94 LEU CB C 94 44.739 31.008 13.731 1
1 1168 . 19 1 1 A 94 94 LEU N N 94 122.901 120.054 2.847 1
1 1169 . 19 1 1 A 95 95 LEU H H 95 9.412 8.846 0.566 1
1 1170 . 19 1 1 A 95 95 LEU HA H 95 5.388 4.984 0.404 1
1 1180 . 19 1 1 A 95 95 LEU C C 95 174.403 175.008 -0.605 1
1 1181 . 19 1 1 A 95 95 LEU CA C 95 53.155 54.638 -1.483 1
1 1182 . 19 1 1 A 95 95 LEU CB C 95 46.432 36.279 10.153 1
1 1186 . 19 1 1 A 95 95 LEU N N 95 126.034 125.193 0.841 1
1 3 . 20 1 1 A 1 1 GLY C C 1 173.950 177.698 -3.748 1
1 4 . 20 1 1 A 1 1 GLY CA C 1 45.289 54.944 -9.655 1
1 5 . 20 1 1 A 2 2 ILE H H 2 8.026 8.517 -0.491 1
1 6 . 20 1 1 A 2 2 ILE HA H 2 4.518 4.401 0.117 1
1 16 . 20 1 1 A 2 2 ILE CA C 2 54.315 55.724 -1.409 1
1 17 . 20 1 1 A 2 2 ILE CB C 2 41.381 42.011 -0.630 1
1 21 . 20 1 1 A 2 2 ILE N N 2 120.237 121.760 -1.523 1
1 22 . 20 1 1 A 3 3 ASP H H 3 8.212 7.722 0.490 1
1 25 . 20 1 1 A 3 3 ASP CB C 3 41.116 63.669 -22.553 1
1 26 . 20 1 1 A 3 3 ASP N N 3 126.816 116.861 9.955 1
1 27 . 20 1 1 A 4 4 PRO HA H 4 3.818 4.129 -0.311 1
1 28 . 20 1 1 A 4 4 PRO C C 4 176.930 173.492 3.438 1
1 29 . 20 1 1 A 4 4 PRO CA C 4 63.589 61.071 2.518 1
1 30 . 20 1 1 A 5 5 PHE H H 5 8.214 8.566 -0.352 1
1 33 . 20 1 1 A 5 5 PHE C C 5 176.204 171.975 4.229 1
1 34 . 20 1 1 A 5 5 PHE CA C 5 58.089 44.411 13.678 1
1 36 . 20 1 1 A 5 5 PHE N N 5 118.317 106.309 12.008 1
1 37 . 20 1 1 A 6 6 THR H H 6 7.789 8.492 -0.703 1
1 38 . 20 1 1 A 6 6 THR HA H 6 4.268 4.703 -0.435 1
1 43 . 20 1 1 A 6 6 THR C C 6 174.096 175.466 -1.370 1
1 44 . 20 1 1 A 6 6 THR CA C 6 62.228 52.248 9.980 1
1 45 . 20 1 1 A 6 6 THR CB C 6 69.842 43.282 26.560 1
1 47 . 20 1 1 A 6 6 THR N N 6 114.242 120.869 -6.627 1
1 48 . 20 1 1 A 7 7 MET H H 7 8.077 8.259 -0.182 1
1 49 . 20 1 1 A 7 7 MET HA H 7 4.721 4.395 0.326 1
1 50 . 20 1 1 A 7 7 MET CA C 7 55.836 53.784 2.052 1
1 51 . 20 1 1 A 7 7 MET N N 7 121.684 123.740 -2.056 1
1 52 . 20 1 1 A 8 8 LEU H H 8 8.043 7.856 0.187 1
1 53 . 20 1 1 A 8 8 LEU HA H 8 4.322 4.758 -0.436 1
1 60 . 20 1 1 A 8 8 LEU CA C 8 55.142 61.210 -6.068 1
1 63 . 20 1 1 A 8 8 LEU N N 8 122.622 117.949 4.673 1
1 64 . 20 1 1 A 9 9 SER H H 9 8.263 8.787 -0.524 1
1 65 . 20 1 1 A 9 9 SER HA H 9 4.318 4.847 -0.529 1
1 68 . 20 1 1 A 9 9 SER CA C 9 58.256 58.129 0.127 1
1 69 . 20 1 1 A 9 9 SER CB C 9 63.851 64.868 -1.017 1
1 70 . 20 1 1 A 9 9 SER N N 9 116.455 119.252 -2.797 1
1 71 . 20 1 1 A 10 10 SER H H 10 8.268 8.828 -0.560 1
1 72 . 20 1 1 A 10 10 SER HA H 10 4.418 4.848 -0.430 1
1 75 . 20 1 1 A 10 10 SER C C 10 175.142 175.657 -0.515 1
1 76 . 20 1 1 A 10 10 SER CA C 10 58.684 51.405 7.279 1
1 77 . 20 1 1 A 10 10 SER CB C 10 63.935 22.881 41.054 1
1 78 . 20 1 1 A 10 10 SER N N 10 117.758 122.700 -4.942 1
1 79 . 20 1 1 A 11 11 GLY H H 11 8.300 8.513 -0.213 1
1 82 . 20 1 1 A 11 11 GLY C C 11 176.844 174.252 2.592 1
1 83 . 20 1 1 A 11 11 GLY CA C 11 45.340 58.332 -12.992 1
1 84 . 20 1 1 A 11 11 GLY N N 11 110.621 115.052 -4.431 1
1 85 . 20 1 1 A 12 12 ASP H H 12 8.095 8.292 -0.197 1
1 86 . 20 1 1 A 12 12 ASP HA H 12 4.520 5.823 -1.303 1
1 89 . 20 1 1 A 12 12 ASP C C 12 176.422 174.902 1.520 1
1 90 . 20 1 1 A 12 12 ASP CA C 12 54.331 54.664 -0.333 1
1 91 . 20 1 1 A 12 12 ASP CB C 12 41.101 32.835 8.266 1
1 92 . 20 1 1 A 12 12 ASP N N 12 120.276 125.864 -5.588 1
1 93 . 20 1 1 A 13 13 LEU H H 13 8.259 8.803 -0.544 1
1 94 . 20 1 1 A 13 13 LEU HA H 13 4.326 4.989 -0.663 1
1 104 . 20 1 1 A 13 13 LEU C C 13 177.829 175.265 2.564 1
1 105 . 20 1 1 A 13 13 LEU CA C 13 55.426 55.668 -0.242 1
1 106 . 20 1 1 A 13 13 LEU CB C 13 42.043 30.484 11.559 1
1 110 . 20 1 1 A 13 13 LEU N N 13 122.645 119.979 2.666 1
1 111 . 20 1 1 A 14 14 THR H H 14 8.134 9.647 -1.513 1
1 112 . 20 1 1 A 14 14 THR HA H 14 4.265 5.245 -0.980 1
1 117 . 20 1 1 A 14 14 THR C C 14 174.821 174.930 -0.109 1
1 118 . 20 1 1 A 14 14 THR CA C 14 62.228 53.641 8.587 1
1 119 . 20 1 1 A 14 14 THR CB C 14 69.762 45.551 24.211 1
1 121 . 20 1 1 A 14 14 THR N N 14 114.338 126.863 -12.525 1
1 122 . 20 1 1 A 15 15 SER H H 15 8.181 8.934 -0.753 1
1 123 . 20 1 1 A 15 15 SER HA H 15 4.429 4.548 -0.119 1
1 126 . 20 1 1 A 15 15 SER C C 15 174.213 174.945 -0.732 1
1 127 . 20 1 1 A 15 15 SER CA C 15 58.321 62.413 -4.092 1
1 128 . 20 1 1 A 15 15 SER CB C 15 63.826 31.751 32.075 1
1 129 . 20 1 1 A 15 15 SER N N 15 117.846 127.321 -9.475 1
1 130 . 20 1 1 A 16 16 ALA H H 16 8.284 9.688 -1.404 1
1 131 . 20 1 1 A 16 16 ALA HA H 16 4.395 4.896 -0.501 1
1 135 . 20 1 1 A 16 16 ALA C C 16 177.160 174.909 2.251 1
1 136 . 20 1 1 A 16 16 ALA CA C 16 52.623 61.023 -8.400 1
1 137 . 20 1 1 A 16 16 ALA CB C 16 19.390 34.430 -15.040 1
1 138 . 20 1 1 A 16 16 ALA N N 16 126.207 128.447 -2.240 1
1 139 . 20 1 1 A 17 17 SER H H 17 8.035 8.877 -0.842 1
1 140 . 20 1 1 A 17 17 SER HA H 17 4.891 5.249 -0.358 1
1 143 . 20 1 1 A 17 17 SER C C 17 173.472 175.297 -1.825 1
1 144 . 20 1 1 A 17 17 SER CA C 17 57.547 55.928 1.619 1
1 145 . 20 1 1 A 17 17 SER CB C 17 65.420 30.930 34.490 1
1 146 . 20 1 1 A 17 17 SER N N 17 114.521 127.853 -13.332 1
1 147 . 20 1 1 A 18 18 TRP H H 18 8.523 9.137 -0.614 1
1 148 . 20 1 1 A 18 18 TRP HA H 18 4.787 4.544 0.243 1
1 157 . 20 1 1 A 18 18 TRP C C 18 173.910 174.170 -0.260 1
1 158 . 20 1 1 A 18 18 TRP CA C 18 55.331 62.082 -6.751 1
1 159 . 20 1 1 A 18 18 TRP CB C 18 30.044 32.465 -2.421 1
1 165 . 20 1 1 A 18 18 TRP N N 18 120.348 125.184 -4.836 1
1 167 . 20 1 1 A 19 19 GLU H H 19 8.542 9.497 -0.955 1
1 168 . 20 1 1 A 19 19 GLU HA H 19 4.957 4.860 0.097 1
1 173 . 20 1 1 A 19 19 GLU C C 19 175.089 174.859 0.230 1
1 174 . 20 1 1 A 19 19 GLU CA C 19 55.735 52.654 3.081 1
1 175 . 20 1 1 A 19 19 GLU CB C 19 31.683 41.748 -10.065 1
1 177 . 20 1 1 A 19 19 GLU N N 19 117.964 128.333 -10.369 1
1 178 . 20 1 1 A 20 20 LEU H H 20 8.813 8.876 -0.063 1
1 179 . 20 1 1 A 20 20 LEU HA H 20 4.794 5.057 -0.263 1
1 189 . 20 1 1 A 20 20 LEU C C 20 174.656 174.934 -0.278 1
1 190 . 20 1 1 A 20 20 LEU CA C 20 53.195 54.655 -1.460 1
1 191 . 20 1 1 A 20 20 LEU CB C 20 46.182 30.235 15.947 1
1 195 . 20 1 1 A 20 20 LEU N N 20 125.925 126.013 -0.088 1
1 196 . 20 1 1 A 21 21 VAL H H 21 8.827 8.659 0.168 1
1 197 . 20 1 1 A 21 21 VAL HA H 21 4.499 4.035 0.464 1
1 205 . 20 1 1 A 21 21 VAL C C 21 176.157 178.231 -2.074 1
1 206 . 20 1 1 A 21 21 VAL CA C 21 62.260 53.091 9.169 1
1 207 . 20 1 1 A 21 21 VAL CB C 21 31.627 19.133 12.494 1
1 210 . 20 1 1 A 21 21 VAL N N 21 127.297 127.934 -0.637 1
1 211 . 20 1 1 A 22 22 VAL H H 22 9.178 8.884 0.294 1
1 212 . 20 1 1 A 22 22 VAL HA H 22 4.348 4.383 -0.035 1
1 220 . 20 1 1 A 22 22 VAL C C 22 175.253 174.707 0.546 1
1 221 . 20 1 1 A 22 22 VAL CA C 22 60.925 54.605 6.320 1
1 222 . 20 1 1 A 22 22 VAL CB C 22 34.352 37.032 -2.680 1
1 225 . 20 1 1 A 22 22 VAL N N 22 129.937 115.503 14.434 1
1 226 . 20 1 1 A 23 23 ARG H H 23 8.104 7.689 0.415 1
1 235 . 20 1 1 A 23 23 ARG C C 23 174.950 172.392 2.558 1
1 236 . 20 1 1 A 23 23 ARG CA C 23 55.516 45.145 10.371 1
1 240 . 20 1 1 A 23 23 ARG N N 23 125.848 107.222 18.626 1
1 242 . 20 1 1 A 24 24 VAL H H 24 9.325 8.812 0.513 1
1 243 . 20 1 1 A 24 24 VAL HA H 24 5.011 4.839 0.172 1
1 251 . 20 1 1 A 24 24 VAL C C 24 175.449 176.390 -0.941 1
1 252 . 20 1 1 A 24 24 VAL CA C 24 61.634 54.942 6.692 1
1 253 . 20 1 1 A 24 24 VAL CB C 24 33.928 32.880 1.048 1
1 256 . 20 1 1 A 24 24 VAL N N 24 124.136 120.196 3.940 1
1 257 . 20 1 1 A 25 25 ASP H H 25 8.414 9.022 -0.608 1
1 258 . 20 1 1 A 25 25 ASP HA H 25 5.220 4.050 1.170 1
1 261 . 20 1 1 A 25 25 ASP C C 25 176.671 174.865 1.806 1
1 262 . 20 1 1 A 25 25 ASP CA C 25 52.956 56.596 -3.640 1
1 263 . 20 1 1 A 25 25 ASP CB C 25 43.473 27.426 16.047 1
1 264 . 20 1 1 A 25 25 ASP N N 25 126.172 122.469 3.703 1
1 265 . 20 1 1 A 26 26 HIS H H 26 9.152 8.633 0.519 1
1 266 . 20 1 1 A 26 26 HIS HA H 26 4.542 4.903 -0.361 1
1 271 . 20 1 1 A 26 26 HIS C C 26 174.917 175.648 -0.731 1
1 272 . 20 1 1 A 26 26 HIS CA C 26 56.700 55.794 0.906 1
1 273 . 20 1 1 A 26 26 HIS CB C 26 30.185 29.031 1.154 1
1 276 . 20 1 1 A 26 26 HIS N N 26 124.402 124.923 -0.521 1
1 277 . 20 1 1 A 27 27 ALA H H 27 9.121 8.432 0.689 1
1 278 . 20 1 1 A 27 27 ALA HA H 27 3.984 4.425 -0.441 1
1 282 . 20 1 1 A 27 27 ALA C C 27 176.927 174.188 2.739 1
1 283 . 20 1 1 A 27 27 ALA CA C 27 53.240 63.649 -10.409 1
1 284 . 20 1 1 A 27 27 ALA CB C 27 17.122 69.571 -52.449 1
1 285 . 20 1 1 A 27 27 ALA N N 27 121.895 119.634 2.261 1
1 286 . 20 1 1 A 28 28 ASN H H 28 8.140 8.571 -0.431 1
1 287 . 20 1 1 A 28 28 ASN HA H 28 4.628 4.667 -0.039 1
1 292 . 20 1 1 A 28 28 ASN C C 28 176.389 175.175 1.214 1
1 293 . 20 1 1 A 28 28 ASN CA C 28 52.466 55.769 -3.303 1
1 294 . 20 1 1 A 28 28 ASN CB C 28 38.624 29.992 8.632 1
1 295 . 20 1 1 A 28 28 ASN N N 28 114.287 126.964 -12.677 1
1 297 . 20 1 1 A 29 29 GLY H H 29 8.254 9.164 -0.910 1
1 300 . 20 1 1 A 29 29 GLY C C 29 174.848 175.107 -0.259 1
1 301 . 20 1 1 A 29 29 GLY CA C 29 45.354 59.872 -14.518 1
1 302 . 20 1 1 A 29 29 GLY N N 29 108.650 126.409 -17.759 1
1 303 . 20 1 1 A 30 30 GLU H H 30 7.860 9.019 -1.159 1
1 304 . 20 1 1 A 30 30 GLU HA H 30 4.267 5.114 -0.847 1
1 309 . 20 1 1 A 30 30 GLU C C 30 176.802 173.888 2.914 1
1 310 . 20 1 1 A 30 30 GLU CA C 30 56.348 62.140 -5.792 1
1 311 . 20 1 1 A 30 30 GLU CB C 30 30.460 69.356 -38.896 1
1 313 . 20 1 1 A 30 30 GLU N N 30 119.375 122.739 -3.364 1
1 314 . 20 1 1 A 31 31 GLN H H 31 8.280 9.391 -1.111 1
1 315 . 20 1 1 A 31 31 GLN HA H 31 4.222 5.043 -0.821 1
1 322 . 20 1 1 A 31 31 GLN C C 31 175.995 175.175 0.820 1
1 323 . 20 1 1 A 31 31 GLN CA C 31 55.917 53.012 2.905 1
1 324 . 20 1 1 A 31 31 GLN CB C 31 30.002 43.871 -13.869 1
1 326 . 20 1 1 A 31 31 GLN N N 31 120.036 127.562 -7.526 1
1 328 . 20 1 1 A 32 32 GLN H H 32 7.520 8.847 -1.327 1
1 329 . 20 1 1 A 32 32 GLN HA H 32 4.905 4.937 -0.032 1
1 336 . 20 1 1 A 32 32 GLN C C 32 176.112 175.677 0.435 1
1 337 . 20 1 1 A 32 32 GLN CA C 32 56.211 55.381 0.830 1
1 338 . 20 1 1 A 32 32 GLN CB C 32 30.863 31.233 -0.370 1
1 340 . 20 1 1 A 32 32 GLN N N 32 123.146 125.320 -2.174 1
1 342 . 20 1 1 A 33 33 THR H H 33 8.533 8.855 -0.322 1
1 343 . 20 1 1 A 33 33 THR HA H 33 4.621 4.680 -0.059 1
1 348 . 20 1 1 A 33 33 THR C C 33 173.112 174.328 -1.216 1
1 349 . 20 1 1 A 33 33 THR CA C 33 61.506 59.279 2.227 1
1 350 . 20 1 1 A 33 33 THR CB C 33 71.605 34.426 37.179 1
1 352 . 20 1 1 A 33 33 THR N N 33 118.233 121.585 -3.352 1
1 353 . 20 1 1 A 34 34 GLU H H 34 8.711 8.697 0.014 1
1 354 . 20 1 1 A 34 34 GLU HA H 34 4.939 4.379 0.560 1
1 359 . 20 1 1 A 34 34 GLU C C 34 175.108 176.021 -0.913 1
1 360 . 20 1 1 A 34 34 GLU CA C 34 55.553 57.406 -1.853 1
1 361 . 20 1 1 A 34 34 GLU CB C 34 31.950 64.567 -32.617 1
1 363 . 20 1 1 A 34 34 GLU N N 34 124.692 120.636 4.056 1
1 364 . 20 1 1 A 35 35 ILE H H 35 9.115 8.733 0.382 1
1 375 . 20 1 1 A 35 35 ILE C C 35 174.282 174.472 -0.190 1
1 376 . 20 1 1 A 35 35 ILE CA C 35 59.057 46.895 12.162 1
1 381 . 20 1 1 A 35 35 ILE N N 35 127.113 112.341 14.772 1
1 382 . 20 1 1 A 36 36 THR H H 36 8.545 7.896 0.649 1
1 383 . 20 1 1 A 36 36 THR HA H 36 4.772 4.761 0.011 1
1 388 . 20 1 1 A 36 36 THR C C 36 174.054 175.818 -1.764 1
1 389 . 20 1 1 A 36 36 THR CA C 36 62.257 54.344 7.913 1
1 390 . 20 1 1 A 36 36 THR CB C 36 68.948 41.218 27.730 1
1 392 . 20 1 1 A 36 36 THR N N 36 123.057 118.665 4.392 1
1 393 . 20 1 1 A 37 37 LEU H H 37 9.161 7.209 1.952 1
1 394 . 20 1 1 A 37 37 LEU HA H 37 4.503 4.596 -0.093 1
1 404 . 20 1 1 A 37 37 LEU C C 37 175.047 175.830 -0.783 1
1 405 . 20 1 1 A 37 37 LEU CA C 37 52.646 53.834 -1.188 1
1 406 . 20 1 1 A 37 37 LEU CB C 37 45.951 43.760 2.191 1
1 410 . 20 1 1 A 37 37 LEU N N 37 128.195 122.738 5.457 1
1 411 . 20 1 1 A 38 38 ARG H H 38 8.258 8.831 -0.573 1
1 412 . 20 1 1 A 38 38 ARG HA H 38 4.556 5.179 -0.623 1
1 420 . 20 1 1 A 38 38 ARG C C 38 175.726 176.433 -0.707 1
1 421 . 20 1 1 A 38 38 ARG CA C 38 55.701 54.935 0.766 1
1 422 . 20 1 1 A 38 38 ARG CB C 38 29.601 31.664 -2.063 1
1 425 . 20 1 1 A 38 38 ARG N N 38 122.992 121.632 1.360 1
1 427 . 20 1 1 A 39 39 VAL H H 39 8.635 9.500 -0.865 1
1 428 . 20 1 1 A 39 39 VAL HA H 39 4.358 3.508 0.850 1
1 436 . 20 1 1 A 39 39 VAL C C 39 172.241 178.643 -6.402 1
1 437 . 20 1 1 A 39 39 VAL CA C 39 58.334 65.072 -6.738 1
1 438 . 20 1 1 A 39 39 VAL CB C 39 35.214 38.057 -2.843 1
1 441 . 20 1 1 A 39 39 VAL N N 39 118.388 120.674 -2.286 1
1 442 . 20 1 1 A 40 40 SER H H 40 6.388 8.614 -2.226 1
1 446 . 20 1 1 A 40 40 SER C C 40 175.046 176.695 -1.649 1
1 447 . 20 1 1 A 40 40 SER CA C 40 56.216 47.216 9.000 1
1 449 . 20 1 1 A 40 40 SER N N 40 108.799 107.841 0.958 1
1 450 . 20 1 1 A 41 41 GLY H H 41 9.085 7.573 1.512 1
1 451 . 20 1 1 A 41 41 GLY HA2 H 41 3.850 3.240 0.610 1
1 452 . 20 1 1 A 41 41 GLY HA3 H 41 4.321 3.517 0.804 1
1 453 . 20 1 1 A 41 41 GLY C C 41 173.137 175.855 -2.718 1
1 454 . 20 1 1 A 41 41 GLY CA C 41 47.346 46.529 0.817 1
1 455 . 20 1 1 A 41 41 GLY N N 41 107.767 109.352 -1.585 1
1 456 . 20 1 1 A 42 42 ASP H H 42 7.994 7.756 0.238 1
1 457 . 20 1 1 A 42 42 ASP HA H 42 4.498 3.550 0.948 1
1 460 . 20 1 1 A 42 42 ASP C C 42 175.609 177.626 -2.017 1
1 461 . 20 1 1 A 42 42 ASP CA C 42 53.241 65.626 -12.385 1
1 462 . 20 1 1 A 42 42 ASP CB C 42 40.331 31.526 8.805 1
1 463 . 20 1 1 A 42 42 ASP N N 42 112.956 121.661 -8.705 1
1 464 . 20 1 1 A 43 43 LEU H H 43 7.431 8.204 -0.773 1
1 465 . 20 1 1 A 43 43 LEU HA H 43 4.210 3.532 0.678 1
1 475 . 20 1 1 A 43 43 LEU C C 43 175.552 178.222 -2.670 1
1 476 . 20 1 1 A 43 43 LEU CA C 43 55.199 58.683 -3.484 1
1 477 . 20 1 1 A 43 43 LEU CB C 43 42.398 32.368 10.030 1
1 481 . 20 1 1 A 43 43 LEU N N 43 123.293 117.380 5.913 1
1 482 . 20 1 1 A 44 44 HIS H H 44 8.405 7.803 0.602 1
1 483 . 20 1 1 A 44 44 HIS HA H 44 5.154 4.072 1.082 1
1 488 . 20 1 1 A 44 44 HIS C C 44 177.511 178.894 -1.383 1
1 489 . 20 1 1 A 44 44 HIS CA C 44 54.692 57.681 -2.989 1
1 490 . 20 1 1 A 44 44 HIS CB C 44 30.868 41.124 -10.256 1
1 493 . 20 1 1 A 44 44 HIS N N 44 121.975 120.800 1.175 1
1 494 . 20 1 1 A 45 45 ILE H H 45 8.628 7.837 0.791 1
1 495 . 20 1 1 A 45 45 ILE HA H 45 3.445 4.082 -0.637 1
1 505 . 20 1 1 A 45 45 ILE C C 45 179.116 179.051 0.065 1
1 506 . 20 1 1 A 45 45 ILE CA C 45 62.585 58.583 4.002 1
1 507 . 20 1 1 A 45 45 ILE CB C 45 35.492 31.976 3.516 1
1 511 . 20 1 1 A 45 45 ILE N N 45 124.304 119.574 4.730 1
1 512 . 20 1 1 A 46 46 GLY H H 46 9.792 7.340 2.452 1
1 515 . 20 1 1 A 46 46 GLY C C 46 175.742 178.836 -3.094 1
1 516 . 20 1 1 A 46 46 GLY CA C 46 46.812 57.856 -11.044 1
1 517 . 20 1 1 A 46 46 GLY N N 46 106.610 120.190 -13.580 1
1 518 . 20 1 1 A 47 47 GLY H H 47 6.761 7.594 -0.833 1
1 521 . 20 1 1 A 47 47 GLY C C 47 176.182 178.298 -2.116 1
1 522 . 20 1 1 A 47 47 GLY CA C 47 46.819 66.697 -19.878 1
1 523 . 20 1 1 A 47 47 GLY N N 47 109.580 118.894 -9.314 1
1 524 . 20 1 1 A 48 48 VAL H H 48 7.669 8.394 -0.725 1
1 525 . 20 1 1 A 48 48 VAL HA H 48 3.083 3.914 -0.831 1
1 533 . 20 1 1 A 48 48 VAL C C 48 176.849 178.330 -1.481 1
1 534 . 20 1 1 A 48 48 VAL CA C 48 66.775 59.201 7.574 1
1 535 . 20 1 1 A 48 48 VAL CB C 48 30.944 29.165 1.779 1
1 538 . 20 1 1 A 48 48 VAL N N 48 123.461 120.153 3.308 1
1 539 . 20 1 1 A 49 49 MET H H 49 7.632 7.582 0.050 1
1 540 . 20 1 1 A 49 49 MET HA H 49 3.143 4.044 -0.901 1
1 548 . 20 1 1 A 49 49 MET C C 49 176.774 178.052 -1.278 1
1 549 . 20 1 1 A 49 49 MET CA C 49 59.972 58.459 1.513 1
1 550 . 20 1 1 A 49 49 MET CB C 49 33.142 28.611 4.531 1
1 553 . 20 1 1 A 49 49 MET N N 49 115.691 119.114 -3.423 1
1 554 . 20 1 1 A 50 50 LEU H H 50 7.535 7.520 0.015 1
1 555 . 20 1 1 A 50 50 LEU HA H 50 3.821 4.509 -0.688 1
1 565 . 20 1 1 A 50 50 LEU C C 50 179.001 175.656 3.345 1
1 566 . 20 1 1 A 50 50 LEU CA C 50 57.910 56.627 1.283 1
1 567 . 20 1 1 A 50 50 LEU CB C 50 41.821 33.595 8.226 1
1 571 . 20 1 1 A 50 50 LEU N N 50 117.445 116.542 0.903 1
1 572 . 20 1 1 A 51 51 LYS H H 51 7.447 8.015 -0.568 1
1 573 . 20 1 1 A 51 51 LYS HA H 51 3.880 4.482 -0.602 1
1 582 . 20 1 1 A 51 51 LYS C C 51 178.975 174.758 4.217 1
1 583 . 20 1 1 A 51 51 LYS CA C 51 59.003 54.526 4.477 1
1 584 . 20 1 1 A 51 51 LYS CB C 51 32.890 37.154 -4.264 1
1 588 . 20 1 1 A 51 51 LYS N N 51 118.306 114.337 3.969 1
1 589 . 20 1 1 A 52 52 LEU H H 52 7.547 8.028 -0.481 1
1 590 . 20 1 1 A 52 52 LEU HA H 52 3.523 4.146 -0.623 1
1 600 . 20 1 1 A 52 52 LEU C C 52 177.676 176.248 1.428 1
1 601 . 20 1 1 A 52 52 LEU CA C 52 58.038 62.261 -4.223 1
1 602 . 20 1 1 A 52 52 LEU CB C 52 41.660 38.321 3.339 1
1 606 . 20 1 1 A 52 52 LEU N N 52 119.198 119.789 -0.591 1
1 607 . 20 1 1 A 53 53 VAL H H 53 7.368 8.453 -1.085 1
1 608 . 20 1 1 A 53 53 VAL HA H 53 2.469 4.596 -2.127 1
1 616 . 20 1 1 A 53 53 VAL C C 53 179.189 176.844 2.345 1
1 617 . 20 1 1 A 53 53 VAL CA C 53 66.706 51.970 14.736 1
1 618 . 20 1 1 A 53 53 VAL CB C 53 31.343 18.579 12.764 1
1 621 . 20 1 1 A 53 53 VAL N N 53 117.879 130.153 -12.274 1
1 622 . 20 1 1 A 54 54 GLU H H 54 7.966 8.293 -0.327 1
1 623 . 20 1 1 A 54 54 GLU HA H 54 3.865 4.756 -0.891 1
1 628 . 20 1 1 A 54 54 GLU C C 54 178.593 173.816 4.777 1
1 629 . 20 1 1 A 54 54 GLU CA C 54 58.935 53.636 5.299 1
1 630 . 20 1 1 A 54 54 GLU CB C 54 29.772 32.443 -2.671 1
1 632 . 20 1 1 A 54 54 GLU N N 54 119.295 122.409 -3.114 1
1 633 . 20 1 1 A 55 55 GLN H H 55 7.651 8.441 -0.790 1
1 634 . 20 1 1 A 55 55 GLN HA H 55 4.005 4.641 -0.636 1
1 641 . 20 1 1 A 55 55 GLN C C 55 177.512 175.689 1.823 1
1 642 . 20 1 1 A 55 55 GLN CA C 55 57.362 53.752 3.610 1
1 643 . 20 1 1 A 55 55 GLN CB C 55 28.938 40.416 -11.478 1
1 645 . 20 1 1 A 55 55 GLN N N 55 116.036 119.796 -3.760 1
1 647 . 20 1 1 A 56 56 MET H H 56 7.691 8.297 -0.606 1
1 648 . 20 1 1 A 56 56 MET HA H 56 4.316 4.564 -0.248 1
1 656 . 20 1 1 A 56 56 MET C C 56 176.572 176.910 -0.338 1
1 657 . 20 1 1 A 56 56 MET CA C 56 56.492 57.178 -0.686 1
1 658 . 20 1 1 A 56 56 MET CB C 56 32.901 28.960 3.941 1
1 661 . 20 1 1 A 56 56 MET N N 56 117.664 124.474 -6.810 1
1 662 . 20 1 1 A 57 57 ASN H H 57 7.816 7.689 0.127 1
1 663 . 20 1 1 A 57 57 ASN HA H 57 4.495 4.177 0.318 1
1 668 . 20 1 1 A 57 57 ASN C C 57 174.613 174.527 0.086 1
1 669 . 20 1 1 A 57 57 ASN CA C 57 53.813 61.262 -7.449 1
1 670 . 20 1 1 A 57 57 ASN CB C 57 37.713 63.489 -25.776 1
1 671 . 20 1 1 A 57 57 ASN N N 57 115.864 115.088 0.776 1
1 673 . 20 1 1 A 58 58 ILE H H 58 8.391 7.511 0.880 1
1 674 . 20 1 1 A 58 58 ILE HA H 58 4.284 4.883 -0.599 1
1 684 . 20 1 1 A 58 58 ILE C C 58 175.277 174.605 0.672 1
1 685 . 20 1 1 A 58 58 ILE CA C 58 60.631 53.228 7.403 1
1 686 . 20 1 1 A 58 58 ILE CB C 58 41.470 41.072 0.398 1
1 690 . 20 1 1 A 58 58 ILE N N 58 117.760 120.980 -3.220 1
1 691 . 20 1 1 A 59 59 ALA H H 59 8.438 8.763 -0.325 1
1 692 . 20 1 1 A 59 59 ALA HA H 59 4.535 5.256 -0.721 1
1 696 . 20 1 1 A 59 59 ALA C C 59 175.554 173.488 2.066 1
1 697 . 20 1 1 A 59 59 ALA CA C 59 51.604 56.514 -4.910 1
1 698 . 20 1 1 A 59 59 ALA CB C 59 17.256 40.901 -23.645 1
1 699 . 20 1 1 A 59 59 ALA N N 59 129.371 122.040 7.331 1
1 700 . 20 1 1 A 60 60 GLN H H 60 7.498 8.522 -1.024 1
1 701 . 20 1 1 A 60 60 GLN HA H 60 4.291 4.913 -0.622 1
1 708 . 20 1 1 A 60 60 GLN C C 60 172.908 175.844 -2.936 1
1 709 . 20 1 1 A 60 60 GLN CA C 60 53.492 51.491 2.001 1
1 710 . 20 1 1 A 60 60 GLN CB C 60 30.340 23.358 6.982 1
1 712 . 20 1 1 A 60 60 GLN N N 60 120.550 121.761 -1.211 1
1 714 . 20 1 1 A 61 61 ASP H H 61 8.086 8.794 -0.708 1
1 715 . 20 1 1 A 61 61 ASP HA H 61 4.622 5.326 -0.704 1
1 718 . 20 1 1 A 61 61 ASP C C 61 177.529 175.823 1.706 1
1 719 . 20 1 1 A 61 61 ASP CA C 61 53.520 53.979 -0.459 1
1 720 . 20 1 1 A 61 61 ASP CB C 61 40.493 43.449 -2.956 1
1 721 . 20 1 1 A 61 61 ASP N N 61 118.225 119.881 -1.656 1
1 722 . 20 1 1 A 62 62 TRP H H 62 8.999 9.656 -0.657 1
1 723 . 20 1 1 A 62 62 TRP HA H 62 4.578 5.236 -0.658 1
1 732 . 20 1 1 A 62 62 TRP C C 62 178.609 174.725 3.884 1
1 733 . 20 1 1 A 62 62 TRP CA C 62 57.200 54.732 2.468 1
1 734 . 20 1 1 A 62 62 TRP CB C 62 29.155 31.124 -1.969 1
1 740 . 20 1 1 A 62 62 TRP N N 62 129.134 126.580 2.554 1
1 742 . 20 1 1 A 63 63 SER H H 63 8.756 8.740 0.016 1
1 743 . 20 1 1 A 63 63 SER HA H 63 4.127 4.750 -0.623 1
1 746 . 20 1 1 A 63 63 SER C C 63 175.119 175.559 -0.440 1
1 747 . 20 1 1 A 63 63 SER CA C 63 62.933 55.839 7.094 1
1 748 . 20 1 1 A 63 63 SER CB C 63 63.120 29.502 33.618 1
1 749 . 20 1 1 A 63 63 SER N N 63 119.231 129.779 -10.548 1
1 750 . 20 1 1 A 64 64 ASP H H 64 9.095 8.411 0.684 1
1 751 . 20 1 1 A 64 64 ASP HA H 64 4.876 3.719 1.157 1
1 754 . 20 1 1 A 64 64 ASP C C 64 177.267 178.236 -0.969 1
1 755 . 20 1 1 A 64 64 ASP CA C 64 54.157 59.483 -5.326 1
1 756 . 20 1 1 A 64 64 ASP CB C 64 43.116 29.469 13.647 1
1 757 . 20 1 1 A 64 64 ASP N N 64 120.137 126.069 -5.932 1
1 758 . 20 1 1 A 65 65 TYR H H 65 7.991 8.295 -0.304 1
1 759 . 20 1 1 A 65 65 TYR HA H 65 4.151 3.992 0.159 1
1 766 . 20 1 1 A 65 65 TYR C C 65 175.746 177.257 -1.511 1
1 767 . 20 1 1 A 65 65 TYR CA C 65 59.053 58.789 0.264 1
1 768 . 20 1 1 A 65 65 TYR CB C 65 38.836 28.468 10.368 1
1 773 . 20 1 1 A 65 65 TYR N N 65 121.458 118.831 2.627 1
1 774 . 20 1 1 A 66 66 ALA H H 66 8.698 7.157 1.541 1
1 775 . 20 1 1 A 66 66 ALA HA H 66 4.794 4.019 0.775 1
1 779 . 20 1 1 A 66 66 ALA C C 66 175.126 175.299 -0.173 1
1 780 . 20 1 1 A 66 66 ALA CA C 66 51.166 55.484 -4.318 1
1 781 . 20 1 1 A 66 66 ALA CB C 66 23.771 32.880 -9.109 1
1 782 . 20 1 1 A 66 66 ALA N N 66 122.944 116.535 6.409 1
1 783 . 20 1 1 A 67 67 LEU H H 67 9.131 7.422 1.709 1
1 784 . 20 1 1 A 67 67 LEU HA H 67 5.498 3.136 2.362 1
1 794 . 20 1 1 A 67 67 LEU C C 67 174.489 174.093 0.396 1
1 795 . 20 1 1 A 67 67 LEU CA C 67 53.987 56.405 -2.418 1
1 796 . 20 1 1 A 67 67 LEU CB C 67 44.080 28.177 15.903 1
1 800 . 20 1 1 A 67 67 LEU N N 67 118.646 116.392 2.254 1
1 801 . 20 1 1 A 68 68 TRP H H 68 9.934 6.210 3.724 1
1 802 . 20 1 1 A 68 68 TRP HA H 68 4.680 4.834 -0.154 1
1 811 . 20 1 1 A 68 68 TRP C C 68 174.148 172.670 1.478 1
1 812 . 20 1 1 A 68 68 TRP CA C 68 55.276 57.997 -2.721 1
1 813 . 20 1 1 A 68 68 TRP CB C 68 30.222 31.812 -1.590 1
1 819 . 20 1 1 A 68 68 TRP N N 68 126.978 117.237 9.741 1
1 821 . 20 1 1 A 69 69 TRP H H 69 8.507 8.901 -0.394 1
1 822 . 20 1 1 A 69 69 TRP HA H 69 5.060 5.553 -0.493 1
1 831 . 20 1 1 A 69 69 TRP C C 69 175.837 176.233 -0.396 1
1 832 . 20 1 1 A 69 69 TRP CA C 69 52.520 56.234 -3.714 1
1 833 . 20 1 1 A 69 69 TRP CB C 69 30.500 31.284 -0.784 1
1 839 . 20 1 1 A 69 69 TRP N N 69 129.756 124.484 5.272 1
1 841 . 20 1 1 A 70 70 GLU H H 70 8.917 9.547 -0.630 1
1 842 . 20 1 1 A 70 70 GLU HA H 70 3.817 4.402 -0.585 1
1 847 . 20 1 1 A 70 70 GLU C C 70 179.449 176.883 2.566 1
1 848 . 20 1 1 A 70 70 GLU CA C 70 60.208 55.173 5.035 1
1 849 . 20 1 1 A 70 70 GLU CB C 70 29.937 40.746 -10.809 1
1 851 . 20 1 1 A 70 70 GLU N N 70 126.517 126.519 -0.002 1
1 852 . 20 1 1 A 71 71 GLN H H 71 8.515 8.519 -0.004 1
1 853 . 20 1 1 A 71 71 GLN HA H 71 3.782 4.656 -0.874 1
1 860 . 20 1 1 A 71 71 GLN C C 71 177.266 177.023 0.243 1
1 861 . 20 1 1 A 71 71 GLN CA C 71 61.006 54.343 6.663 1
1 862 . 20 1 1 A 71 71 GLN CB C 71 27.451 42.517 -15.066 1
1 864 . 20 1 1 A 71 71 GLN N N 71 114.822 125.940 -11.118 1
1 866 . 20 1 1 A 72 72 LYS H H 72 5.086 7.512 -2.426 1
1 867 . 20 1 1 A 72 72 LYS HA H 72 3.719 4.481 -0.762 1
1 876 . 20 1 1 A 72 72 LYS C C 72 174.268 177.396 -3.128 1
1 877 . 20 1 1 A 72 72 LYS CA C 72 53.864 54.886 -1.022 1
1 878 . 20 1 1 A 72 72 LYS CB C 72 33.242 29.788 3.454 1
1 882 . 20 1 1 A 72 72 LYS N N 72 112.499 120.593 -8.094 1
1 883 . 20 1 1 A 73 73 ARG H H 73 7.402 8.104 -0.702 1
1 884 . 20 1 1 A 73 73 ARG HA H 73 2.800 4.223 -1.423 1
1 892 . 20 1 1 A 73 73 ARG C C 73 173.935 176.353 -2.418 1
1 893 . 20 1 1 A 73 73 ARG CA C 73 56.187 64.958 -8.771 1
1 894 . 20 1 1 A 73 73 ARG CB C 73 26.602 68.966 -42.364 1
1 897 . 20 1 1 A 73 73 ARG N N 73 118.477 113.282 5.195 1
1 899 . 20 1 1 A 74 74 CYS H H 74 6.242 8.021 -1.779 1
1 900 . 20 1 1 A 74 74 CYS HA H 74 4.671 4.440 0.231 1
1 903 . 20 1 1 A 74 74 CYS C C 74 171.332 175.621 -4.289 1
1 904 . 20 1 1 A 74 74 CYS CA C 74 54.443 57.672 -3.229 1
1 905 . 20 1 1 A 74 74 CYS CB C 74 31.599 30.581 1.018 1
1 906 . 20 1 1 A 74 74 CYS N N 74 110.705 121.796 -11.091 1
1 907 . 20 1 1 A 75 75 TRP H H 75 8.567 7.871 0.696 1
1 908 . 20 1 1 A 75 75 TRP HA H 75 5.414 4.769 0.645 1
1 917 . 20 1 1 A 75 75 TRP C C 75 177.638 176.509 1.129 1
1 918 . 20 1 1 A 75 75 TRP CA C 75 55.720 56.737 -1.017 1
1 919 . 20 1 1 A 75 75 TRP CB C 75 30.966 31.109 -0.143 1
1 925 . 20 1 1 A 75 75 TRP N N 75 120.876 119.649 1.227 1
1 927 . 20 1 1 A 76 76 LEU H H 76 9.181 8.876 0.305 1
1 928 . 20 1 1 A 76 76 LEU HA H 76 4.737 4.978 -0.241 1
1 938 . 20 1 1 A 76 76 LEU C C 76 175.745 176.294 -0.549 1
1 939 . 20 1 1 A 76 76 LEU CA C 76 53.729 60.346 -6.617 1
1 940 . 20 1 1 A 76 76 LEU CB C 76 40.810 71.642 -30.832 1
1 944 . 20 1 1 A 76 76 LEU N N 76 125.488 114.461 11.027 1
1 945 . 20 1 1 A 77 77 LEU H H 77 7.711 8.734 -1.023 1
1 946 . 20 1 1 A 77 77 LEU HA H 77 4.416 4.072 0.344 1
1 956 . 20 1 1 A 77 77 LEU C C 77 178.257 178.860 -0.603 1
1 957 . 20 1 1 A 77 77 LEU CA C 77 54.539 58.287 -3.748 1
1 958 . 20 1 1 A 77 77 LEU CB C 77 42.566 41.603 0.963 1
1 962 . 20 1 1 A 77 77 LEU N N 77 119.493 122.810 -3.317 1
1 963 . 20 1 1 A 78 78 LYS H H 78 8.173 7.977 0.196 1
1 964 . 20 1 1 A 78 78 LYS HA H 78 4.380 4.368 0.012 1
1 973 . 20 1 1 A 78 78 LYS C C 78 177.029 178.915 -1.886 1
1 974 . 20 1 1 A 78 78 LYS CA C 78 54.048 58.037 -3.989 1
1 975 . 20 1 1 A 78 78 LYS CB C 78 28.755 41.436 -12.681 1
1 979 . 20 1 1 A 78 78 LYS N N 78 121.730 119.398 2.332 1
1 980 . 20 1 1 A 79 79 THR H H 79 7.812 7.729 0.083 1
1 981 . 20 1 1 A 79 79 THR HA H 79 3.677 4.165 -0.488 1
1 986 . 20 1 1 A 79 79 THR C C 79 175.193 178.787 -3.594 1
1 987 . 20 1 1 A 79 79 THR CA C 79 64.890 59.025 5.865 1
1 988 . 20 1 1 A 79 79 THR CB C 79 68.447 31.778 36.669 1
1 990 . 20 1 1 A 79 79 THR N N 79 114.142 119.070 -4.928 1
1 991 . 20 1 1 A 80 80 HIS H H 80 8.929 7.685 1.244 1
1 992 . 20 1 1 A 80 80 HIS HA H 80 4.759 4.634 0.125 1
1 995 . 20 1 1 A 80 80 HIS C C 80 175.622 175.148 0.474 1
1 996 . 20 1 1 A 80 80 HIS CA C 80 56.078 60.111 -4.033 1
1 997 . 20 1 1 A 80 80 HIS CB C 80 29.927 28.773 1.154 1
1 998 . 20 1 1 A 80 80 HIS N N 80 117.372 117.739 -0.367 1
1 999 . 20 1 1 A 81 81 TRP H H 81 8.544 8.595 -0.051 1
1 1009 . 20 1 1 A 81 81 TRP C C 81 175.952 174.548 1.404 1
1 1010 . 20 1 1 A 81 81 TRP CA C 81 56.009 45.122 10.887 1
1 1017 . 20 1 1 A 81 81 TRP N N 81 122.512 108.844 13.668 1
1 1019 . 20 1 1 A 82 82 THR H H 82 7.587 7.962 -0.375 1
1 1020 . 20 1 1 A 82 82 THR HA H 82 4.725 3.996 0.729 1
1 1025 . 20 1 1 A 82 82 THR C C 82 176.305 174.565 1.740 1
1 1026 . 20 1 1 A 82 82 THR CA C 82 60.250 61.548 -1.298 1
1 1027 . 20 1 1 A 82 82 THR CB C 82 70.601 31.741 38.860 1
1 1029 . 20 1 1 A 82 82 THR N N 82 109.728 122.242 -12.514 1
1 1030 . 20 1 1 A 83 83 LEU H H 83 8.354 8.562 -0.208 1
1 1031 . 20 1 1 A 83 83 LEU HA H 83 3.798 3.804 -0.006 1
1 1040 . 20 1 1 A 83 83 LEU C C 83 179.461 176.283 3.178 1
1 1041 . 20 1 1 A 83 83 LEU CA C 83 59.442 53.467 5.975 1
1 1042 . 20 1 1 A 83 83 LEU CB C 83 40.758 31.027 9.731 1
1 1045 . 20 1 1 A 83 83 LEU N N 83 122.120 126.675 -4.555 1
1 1046 . 20 1 1 A 84 84 ASP H H 84 8.985 7.945 1.040 1
1 1047 . 20 1 1 A 84 84 ASP HA H 84 4.427 4.022 0.405 1
1 1050 . 20 1 1 A 84 84 ASP C C 84 179.464 178.377 1.087 1
1 1051 . 20 1 1 A 84 84 ASP CA C 84 57.459 53.988 3.471 1
1 1052 . 20 1 1 A 84 84 ASP CB C 84 40.243 18.515 21.728 1
1 1053 . 20 1 1 A 84 84 ASP N N 84 118.020 122.588 -4.568 1
1 1054 . 20 1 1 A 85 85 LYS H H 85 8.134 7.811 0.323 1
1 1055 . 20 1 1 A 85 85 LYS HA H 85 3.820 4.505 -0.685 1
1 1064 . 20 1 1 A 85 85 LYS C C 85 178.824 176.384 2.440 1
1 1065 . 20 1 1 A 85 85 LYS CA C 85 59.103 55.862 3.241 1
1 1066 . 20 1 1 A 85 85 LYS CB C 85 32.229 41.315 -9.086 1
1 1070 . 20 1 1 A 85 85 LYS N N 85 123.380 117.702 5.678 1
1 1071 . 20 1 1 A 86 86 CYS H H 86 8.083 7.344 0.739 1
1 1072 . 20 1 1 A 86 86 CYS HA H 86 4.439 4.354 0.085 1
1 1075 . 20 1 1 A 86 86 CYS C C 86 174.621 176.785 -2.164 1
1 1076 . 20 1 1 A 86 86 CYS CA C 86 61.800 52.425 9.375 1
1 1077 . 20 1 1 A 86 86 CYS CB C 86 28.700 19.317 9.383 1
1 1078 . 20 1 1 A 86 86 CYS N N 86 113.734 121.416 -7.682 1
1 1079 . 20 1 1 A 87 87 GLY H H 87 7.904 8.822 -0.918 1
1 1082 . 20 1 1 A 87 87 GLY C C 87 174.471 173.958 0.513 1
1 1083 . 20 1 1 A 87 87 GLY CA C 87 45.434 52.649 -7.215 1
1 1084 . 20 1 1 A 87 87 GLY N N 87 107.243 121.751 -14.508 1
1 1085 . 20 1 1 A 88 88 VAL H H 88 7.635 8.966 -1.331 1
1 1086 . 20 1 1 A 88 88 VAL HA H 88 3.165 5.180 -2.015 1
1 1094 . 20 1 1 A 88 88 VAL C C 88 173.926 174.352 -0.426 1
1 1095 . 20 1 1 A 88 88 VAL CA C 88 63.281 53.237 10.044 1
1 1096 . 20 1 1 A 88 88 VAL CB C 88 31.892 45.039 -13.147 1
1 1099 . 20 1 1 A 88 88 VAL N N 88 122.351 128.584 -6.233 1
1 1100 . 20 1 1 A 89 89 GLN H H 89 7.651 9.448 -1.797 1
1 1101 . 20 1 1 A 89 89 GLN HA H 89 3.946 5.449 -1.503 1
1 1108 . 20 1 1 A 89 89 GLN C C 89 175.629 174.631 0.998 1
1 1109 . 20 1 1 A 89 89 GLN CA C 89 53.861 52.851 1.010 1
1 1110 . 20 1 1 A 89 89 GLN CB C 89 31.010 45.390 -14.380 1
1 1112 . 20 1 1 A 89 89 GLN N N 89 125.820 128.518 -2.698 1
1 1114 . 20 1 1 A 90 90 ALA H H 90 7.025 9.469 -2.444 1
1 1115 . 20 1 1 A 90 90 ALA HA H 90 3.873 5.501 -1.628 1
1 1119 . 20 1 1 A 90 90 ALA C C 90 177.042 173.923 3.119 1
1 1120 . 20 1 1 A 90 90 ALA CA C 90 54.869 55.133 -0.264 1
1 1121 . 20 1 1 A 90 90 ALA CB C 90 18.818 41.581 -22.763 1
1 1122 . 20 1 1 A 90 90 ALA N N 90 118.713 127.724 -9.011 1
1 1123 . 20 1 1 A 91 91 ASP H H 91 8.310 8.873 -0.563 1
1 1124 . 20 1 1 A 91 91 ASP HA H 91 4.415 4.818 -0.403 1
1 1127 . 20 1 1 A 91 91 ASP C C 91 176.371 171.847 4.524 1
1 1128 . 20 1 1 A 91 91 ASP CA C 91 53.133 58.162 -5.029 1
1 1129 . 20 1 1 A 91 91 ASP CB C 91 39.673 72.750 -33.077 1
1 1130 . 20 1 1 A 91 91 ASP N N 91 113.050 121.623 -8.573 1
1 1132 . 20 1 1 A 92 92 ALA HA H 92 4.237 4.676 -0.439 1
1 1136 . 20 1 1 A 92 92 ALA C C 92 176.536 176.238 0.298 1
1 1137 . 20 1 1 A 92 92 ALA CA C 92 53.721 62.794 -9.073 1
1 1138 . 20 1 1 A 92 92 ALA CB C 92 19.774 32.781 -13.007 1
1 1139 . 20 1 1 A 92 92 ALA N N 92 124.114 141.417 -17.303 1
1 1140 . 20 1 1 A 93 93 ASN H H 93 9.478 8.044 1.434 1
1 1141 . 20 1 1 A 93 93 ASN HA H 93 5.141 4.335 0.806 1
1 1146 . 20 1 1 A 93 93 ASN C C 93 173.906 176.207 -2.301 1
1 1147 . 20 1 1 A 93 93 ASN CA C 93 52.433 55.053 -2.620 1
1 1148 . 20 1 1 A 93 93 ASN CB C 93 38.547 30.076 8.471 1
1 1149 . 20 1 1 A 93 93 ASN N N 93 123.235 117.046 6.189 1
1 1151 . 20 1 1 A 94 94 LEU H H 94 8.675 8.509 0.166 1
1 1152 . 20 1 1 A 94 94 LEU HA H 94 5.429 4.088 1.341 1
1 1162 . 20 1 1 A 94 94 LEU C C 94 175.486 173.346 2.140 1
1 1163 . 20 1 1 A 94 94 LEU CA C 94 53.003 56.740 -3.737 1
1 1164 . 20 1 1 A 94 94 LEU CB C 94 44.739 26.590 18.149 1
1 1168 . 20 1 1 A 94 94 LEU N N 94 122.901 114.402 8.499 1
1 1169 . 20 1 1 A 95 95 LEU H H 95 9.412 7.616 1.796 1
1 1170 . 20 1 1 A 95 95 LEU HA H 95 5.388 4.654 0.734 1
1 1180 . 20 1 1 A 95 95 LEU C C 95 174.403 175.108 -0.705 1
1 1181 . 20 1 1 A 95 95 LEU CA C 95 53.155 54.863 -1.708 1
1 1182 . 20 1 1 A 95 95 LEU CB C 95 46.432 34.173 12.259 1
1 1186 . 20 1 1 A 95 95 LEU N N 95 126.034 118.504 7.530 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 90 2.232 1
2 1 1 1 "RMS(OBS, PRED)" CA 94 6.591 1
3 1 1 1 "RMS(OBS, PRED)" CB 80 18.938 1
4 1 1 1 "RMS(OBS, PRED)" H 92 1.000 1
5 1 1 1 "RMS(OBS, PRED)" HA 84 0.807 1
6 1 1 1 "RMS(OBS, PRED)" N 93 8.007 1
7 1 2 1 "RMS(OBS, PRED)" C 90 2.105 1
8 1 2 1 "RMS(OBS, PRED)" CA 94 6.571 1
9 1 2 1 "RMS(OBS, PRED)" CB 80 18.982 1
10 1 2 1 "RMS(OBS, PRED)" H 92 1.009 1
11 1 2 1 "RMS(OBS, PRED)" HA 84 0.817 1
12 1 2 1 "RMS(OBS, PRED)" N 93 7.787 1
13 1 3 1 "RMS(OBS, PRED)" C 90 2.212 1
14 1 3 1 "RMS(OBS, PRED)" CA 94 6.650 1
15 1 3 1 "RMS(OBS, PRED)" CB 80 19.013 1
16 1 3 1 "RMS(OBS, PRED)" H 92 0.981 1
17 1 3 1 "RMS(OBS, PRED)" HA 84 0.827 1
18 1 3 1 "RMS(OBS, PRED)" N 93 7.638 1
19 1 4 1 "RMS(OBS, PRED)" C 90 2.154 1
20 1 4 1 "RMS(OBS, PRED)" CA 94 6.561 1
21 1 4 1 "RMS(OBS, PRED)" CB 80 19.055 1
22 1 4 1 "RMS(OBS, PRED)" H 92 1.021 1
23 1 4 1 "RMS(OBS, PRED)" HA 84 0.797 1
24 1 4 1 "RMS(OBS, PRED)" N 93 7.856 1
25 1 5 1 "RMS(OBS, PRED)" C 90 2.105 1
26 1 5 1 "RMS(OBS, PRED)" CA 94 6.496 1
27 1 5 1 "RMS(OBS, PRED)" CB 80 18.917 1
28 1 5 1 "RMS(OBS, PRED)" H 92 1.024 1
29 1 5 1 "RMS(OBS, PRED)" HA 84 0.812 1
30 1 5 1 "RMS(OBS, PRED)" N 93 7.685 1
31 1 6 1 "RMS(OBS, PRED)" C 90 2.116 1
32 1 6 1 "RMS(OBS, PRED)" CA 94 6.591 1
33 1 6 1 "RMS(OBS, PRED)" CB 80 18.895 1
34 1 6 1 "RMS(OBS, PRED)" H 92 0.982 1
35 1 6 1 "RMS(OBS, PRED)" HA 84 0.771 1
36 1 6 1 "RMS(OBS, PRED)" N 93 7.700 1
37 1 7 1 "RMS(OBS, PRED)" C 90 2.154 1
38 1 7 1 "RMS(OBS, PRED)" CA 94 6.519 1
39 1 7 1 "RMS(OBS, PRED)" CB 80 18.781 1
40 1 7 1 "RMS(OBS, PRED)" H 92 0.985 1
41 1 7 1 "RMS(OBS, PRED)" HA 84 0.745 1
42 1 7 1 "RMS(OBS, PRED)" N 93 7.520 1
43 1 8 1 "RMS(OBS, PRED)" C 90 2.120 1
44 1 8 1 "RMS(OBS, PRED)" CA 94 6.671 1
45 1 8 1 "RMS(OBS, PRED)" CB 80 19.035 1
46 1 8 1 "RMS(OBS, PRED)" H 92 1.001 1
47 1 8 1 "RMS(OBS, PRED)" HA 84 0.788 1
48 1 8 1 "RMS(OBS, PRED)" N 93 7.778 1
49 1 9 1 "RMS(OBS, PRED)" C 90 2.218 1
50 1 9 1 "RMS(OBS, PRED)" CA 94 6.665 1
51 1 9 1 "RMS(OBS, PRED)" CB 80 18.795 1
52 1 9 1 "RMS(OBS, PRED)" H 92 1.012 1
53 1 9 1 "RMS(OBS, PRED)" HA 84 0.795 1
54 1 9 1 "RMS(OBS, PRED)" N 93 7.717 1
55 1 10 1 "RMS(OBS, PRED)" C 90 2.150 1
56 1 10 1 "RMS(OBS, PRED)" CA 94 6.611 1
57 1 10 1 "RMS(OBS, PRED)" CB 80 18.850 1
58 1 10 1 "RMS(OBS, PRED)" H 92 0.997 1
59 1 10 1 "RMS(OBS, PRED)" HA 84 0.806 1
60 1 10 1 "RMS(OBS, PRED)" N 93 7.442 1
61 1 11 1 "RMS(OBS, PRED)" C 90 2.164 1
62 1 11 1 "RMS(OBS, PRED)" CA 94 6.501 1
63 1 11 1 "RMS(OBS, PRED)" CB 80 19.107 1
64 1 11 1 "RMS(OBS, PRED)" H 92 1.024 1
65 1 11 1 "RMS(OBS, PRED)" HA 84 0.786 1
66 1 11 1 "RMS(OBS, PRED)" N 93 7.654 1
67 1 12 1 "RMS(OBS, PRED)" C 90 2.152 1
68 1 12 1 "RMS(OBS, PRED)" CA 94 6.509 1
69 1 12 1 "RMS(OBS, PRED)" CB 80 18.889 1
70 1 12 1 "RMS(OBS, PRED)" H 92 1.017 1
71 1 12 1 "RMS(OBS, PRED)" HA 84 0.804 1
72 1 12 1 "RMS(OBS, PRED)" N 93 7.855 1
73 1 13 1 "RMS(OBS, PRED)" C 90 2.126 1
74 1 13 1 "RMS(OBS, PRED)" CA 94 6.630 1
75 1 13 1 "RMS(OBS, PRED)" CB 80 18.955 1
76 1 13 1 "RMS(OBS, PRED)" H 92 1.057 1
77 1 13 1 "RMS(OBS, PRED)" HA 84 0.799 1
78 1 13 1 "RMS(OBS, PRED)" N 93 7.782 1
79 1 14 1 "RMS(OBS, PRED)" C 90 2.294 1
80 1 14 1 "RMS(OBS, PRED)" CA 94 6.488 1
81 1 14 1 "RMS(OBS, PRED)" CB 80 18.901 1
82 1 14 1 "RMS(OBS, PRED)" H 92 1.070 1
83 1 14 1 "RMS(OBS, PRED)" HA 84 0.801 1
84 1 14 1 "RMS(OBS, PRED)" N 93 7.436 1
85 1 15 1 "RMS(OBS, PRED)" C 90 2.214 1
86 1 15 1 "RMS(OBS, PRED)" CA 94 6.628 1
87 1 15 1 "RMS(OBS, PRED)" CB 80 18.928 1
88 1 15 1 "RMS(OBS, PRED)" H 92 1.024 1
89 1 15 1 "RMS(OBS, PRED)" HA 84 0.805 1
90 1 15 1 "RMS(OBS, PRED)" N 93 7.661 1
91 1 16 1 "RMS(OBS, PRED)" C 90 2.121 1
92 1 16 1 "RMS(OBS, PRED)" CA 94 6.411 1
93 1 16 1 "RMS(OBS, PRED)" CB 80 19.055 1
94 1 16 1 "RMS(OBS, PRED)" H 92 1.032 1
95 1 16 1 "RMS(OBS, PRED)" HA 84 0.802 1
96 1 16 1 "RMS(OBS, PRED)" N 93 7.729 1
97 1 17 1 "RMS(OBS, PRED)" C 90 2.119 1
98 1 17 1 "RMS(OBS, PRED)" CA 94 6.523 1
99 1 17 1 "RMS(OBS, PRED)" CB 80 19.052 1
100 1 17 1 "RMS(OBS, PRED)" H 92 1.041 1
101 1 17 1 "RMS(OBS, PRED)" HA 84 0.802 1
102 1 17 1 "RMS(OBS, PRED)" N 93 7.671 1
103 1 18 1 "RMS(OBS, PRED)" C 90 2.145 1
104 1 18 1 "RMS(OBS, PRED)" CA 94 6.500 1
105 1 18 1 "RMS(OBS, PRED)" CB 80 19.044 1
106 1 18 1 "RMS(OBS, PRED)" H 92 1.024 1
107 1 18 1 "RMS(OBS, PRED)" HA 84 0.821 1
108 1 18 1 "RMS(OBS, PRED)" N 93 7.658 1
109 1 19 1 "RMS(OBS, PRED)" C 90 2.154 1
110 1 19 1 "RMS(OBS, PRED)" CA 94 6.546 1
111 1 19 1 "RMS(OBS, PRED)" CB 80 18.940 1
112 1 19 1 "RMS(OBS, PRED)" H 92 0.992 1
113 1 19 1 "RMS(OBS, PRED)" HA 84 0.773 1
114 1 19 1 "RMS(OBS, PRED)" N 93 7.476 1
115 1 20 1 "RMS(OBS, PRED)" C 90 2.177 1
116 1 20 1 "RMS(OBS, PRED)" CA 94 6.602 1
117 1 20 1 "RMS(OBS, PRED)" CB 80 18.837 1
118 1 20 1 "RMS(OBS, PRED)" H 92 1.026 1
119 1 20 1 "RMS(OBS, PRED)" HA 84 0.780 1
120 1 20 1 "RMS(OBS, PRED)" N 93 7.613 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 3 . 1 1 A 1 1 GLY C C 1 173.950 175.697 -1.747 2
1 4 . 1 1 A 1 1 GLY CA C 1 45.289 55.075 -9.786 2
1 5 . 1 1 A 2 2 ILE H H 2 8.026 8.429 -0.403 2
1 6 . 1 1 A 2 2 ILE HA H 2 4.518 4.413 0.105 2
1 16 . 1 1 A 2 2 ILE CA C 2 54.315 55.507 -1.192 2
1 17 . 1 1 A 2 2 ILE CB C 2 41.381 42.474 -1.093 2
1 21 . 1 1 A 2 2 ILE N N 2 120.237 122.645 -2.408 2
1 22 . 1 1 A 3 3 ASP H H 3 8.212 8.412 -0.201 2
1 25 . 1 1 A 3 3 ASP CB C 3 41.116 63.308 -22.192 2
1 26 . 1 1 A 3 3 ASP N N 3 126.816 117.209 9.607 2
1 27 . 1 1 A 4 4 PRO HA H 4 3.818 4.624 -0.806 2
1 28 . 1 1 A 4 4 PRO C C 4 176.930 174.379 2.551 2
1 29 . 1 1 A 4 4 PRO CA C 4 63.589 58.495 5.095 2
1 30 . 1 1 A 5 5 PHE H H 5 8.214 8.128 0.086 2
1 33 . 1 1 A 5 5 PHE C C 5 176.204 173.772 2.432 2
1 34 . 1 1 A 5 5 PHE CA C 5 58.089 45.999 12.090 2
1 36 . 1 1 A 5 5 PHE N N 5 118.317 110.020 8.297 2
1 37 . 1 1 A 6 6 THR H H 6 7.789 8.277 -0.488 2
1 38 . 1 1 A 6 6 THR HA H 6 4.268 4.713 -0.445 2
1 43 . 1 1 A 6 6 THR C C 6 174.096 176.098 -2.002 2
1 44 . 1 1 A 6 6 THR CA C 6 62.228 54.437 7.791 2
1 45 . 1 1 A 6 6 THR CB C 6 69.842 41.954 27.888 2
1 47 . 1 1 A 6 6 THR N N 6 114.242 121.334 -7.092 2
1 48 . 1 1 A 7 7 MET H H 7 8.077 8.272 -0.195 2
1 49 . 1 1 A 7 7 MET HA H 7 4.721 4.475 0.246 2
1 50 . 1 1 A 7 7 MET CA C 7 55.836 54.990 0.846 2
1 51 . 1 1 A 7 7 MET N N 7 121.684 122.461 -0.777 2
1 52 . 1 1 A 8 8 LEU H H 8 8.043 8.228 -0.185 2
1 53 . 1 1 A 8 8 LEU HA H 8 4.322 4.568 -0.246 2
1 60 . 1 1 A 8 8 LEU CA C 8 55.142 62.116 -6.974 2
1 63 . 1 1 A 8 8 LEU N N 8 122.622 116.103 6.519 2
1 64 . 1 1 A 9 9 SER H H 9 8.263 8.520 -0.257 2
1 65 . 1 1 A 9 9 SER HA H 9 4.318 4.602 -0.284 2
1 68 . 1 1 A 9 9 SER CA C 9 58.256 59.037 -0.781 2
1 69 . 1 1 A 9 9 SER CB C 9 63.851 63.764 0.087 2
1 70 . 1 1 A 9 9 SER N N 9 116.455 118.289 -1.834 2
1 71 . 1 1 A 10 10 SER H H 10 8.268 8.033 0.235 2
1 72 . 1 1 A 10 10 SER HA H 10 4.418 4.421 -0.003 2
1 75 . 1 1 A 10 10 SER C C 10 175.142 176.049 -0.907 2
1 76 . 1 1 A 10 10 SER CA C 10 58.684 52.081 6.603 2
1 77 . 1 1 A 10 10 SER CB C 10 63.935 19.529 44.407 2
1 78 . 1 1 A 10 10 SER N N 10 117.758 123.682 -5.924 2
1 79 . 1 1 A 11 11 GLY H H 11 8.300 8.352 -0.052 2
1 82 . 1 1 A 11 11 GLY C C 11 176.844 173.565 3.279 2
1 83 . 1 1 A 11 11 GLY CA C 11 45.340 57.575 -12.235 2
1 84 . 1 1 A 11 11 GLY N N 11 110.621 115.744 -5.123 2
1 85 . 1 1 A 12 12 ASP H H 12 8.095 8.366 -0.271 2
1 86 . 1 1 A 12 12 ASP HA H 12 4.520 5.505 -0.985 2
1 89 . 1 1 A 12 12 ASP C C 12 176.422 174.424 1.998 2
1 90 . 1 1 A 12 12 ASP CA C 12 54.331 54.914 -0.583 2
1 91 . 1 1 A 12 12 ASP CB C 12 41.101 32.312 8.789 2
1 92 . 1 1 A 12 12 ASP N N 12 120.276 123.879 -3.603 2
1 93 . 1 1 A 13 13 LEU H H 13 8.259 8.759 -0.500 2
1 94 . 1 1 A 13 13 LEU HA H 13 4.326 4.829 -0.503 2
1 104 . 1 1 A 13 13 LEU C C 13 177.829 175.309 2.521 2
1 105 . 1 1 A 13 13 LEU CA C 13 55.426 56.142 -0.716 2
1 106 . 1 1 A 13 13 LEU CB C 13 42.043 30.286 11.757 2
1 110 . 1 1 A 13 13 LEU N N 13 122.645 120.202 2.443 2
1 111 . 1 1 A 14 14 THR H H 14 8.134 9.439 -1.305 2
1 112 . 1 1 A 14 14 THR HA H 14 4.265 5.184 -0.919 2
1 117 . 1 1 A 14 14 THR C C 14 174.821 174.912 -0.091 2
1 118 . 1 1 A 14 14 THR CA C 14 62.228 53.778 8.450 2
1 119 . 1 1 A 14 14 THR CB C 14 69.762 44.851 24.911 2
1 121 . 1 1 A 14 14 THR N N 14 114.338 127.326 -12.988 2
1 122 . 1 1 A 15 15 SER H H 15 8.181 8.879 -0.698 2
1 123 . 1 1 A 15 15 SER HA H 15 4.429 4.846 -0.417 2
1 126 . 1 1 A 15 15 SER C C 15 174.213 174.166 0.047 2
1 127 . 1 1 A 15 15 SER CA C 15 58.321 61.387 -3.066 2
1 128 . 1 1 A 15 15 SER CB C 15 63.826 32.693 31.133 2
1 129 . 1 1 A 15 15 SER N N 15 117.846 127.189 -9.343 2
1 130 . 1 1 A 16 16 ALA H H 16 8.284 9.647 -1.363 2
1 131 . 1 1 A 16 16 ALA HA H 16 4.395 4.768 -0.373 2
1 135 . 1 1 A 16 16 ALA C C 16 177.160 174.947 2.213 2
1 136 . 1 1 A 16 16 ALA CA C 16 52.623 61.009 -8.386 2
1 137 . 1 1 A 16 16 ALA CB C 16 19.390 33.972 -14.582 2
1 138 . 1 1 A 16 16 ALA N N 16 126.207 130.268 -4.061 2
1 139 . 1 1 A 17 17 SER H H 17 8.035 9.013 -0.978 2
1 140 . 1 1 A 17 17 SER HA H 17 4.891 5.068 -0.177 2
1 143 . 1 1 A 17 17 SER C C 17 173.472 175.246 -1.774 2
1 144 . 1 1 A 17 17 SER CA C 17 57.547 55.885 1.662 2
1 145 . 1 1 A 17 17 SER CB C 17 65.420 31.060 34.360 2
1 146 . 1 1 A 17 17 SER N N 17 114.521 127.824 -13.303 2
1 147 . 1 1 A 18 18 TRP H H 18 8.523 9.302 -0.779 2
1 148 . 1 1 A 18 18 TRP HA H 18 4.787 4.769 0.018 2
1 157 . 1 1 A 18 18 TRP C C 18 173.910 174.344 -0.434 2
1 158 . 1 1 A 18 18 TRP CA C 18 55.331 62.198 -6.867 2
1 159 . 1 1 A 18 18 TRP CB C 18 30.044 32.349 -2.305 2
1 165 . 1 1 A 18 18 TRP N N 18 120.348 126.014 -5.666 2
1 167 . 1 1 A 19 19 GLU H H 19 8.542 9.354 -0.812 2
1 168 . 1 1 A 19 19 GLU HA H 19 4.957 5.046 -0.089 2
1 173 . 1 1 A 19 19 GLU C C 19 175.089 174.742 0.347 2
1 174 . 1 1 A 19 19 GLU CA C 19 55.735 52.561 3.174 2
1 175 . 1 1 A 19 19 GLU CB C 19 31.683 42.219 -10.536 2
1 177 . 1 1 A 19 19 GLU N N 19 117.964 128.566 -10.602 2
1 178 . 1 1 A 20 20 LEU H H 20 8.813 8.946 -0.133 2
1 179 . 1 1 A 20 20 LEU HA H 20 4.794 4.907 -0.113 2
1 189 . 1 1 A 20 20 LEU C C 20 174.656 175.161 -0.505 2
1 190 . 1 1 A 20 20 LEU CA C 20 53.195 55.445 -2.250 2
1 191 . 1 1 A 20 20 LEU CB C 20 46.182 30.264 15.918 2
1 195 . 1 1 A 20 20 LEU N N 20 125.925 125.270 0.655 2
1 196 . 1 1 A 21 21 VAL H H 21 8.827 8.600 0.227 2
1 197 . 1 1 A 21 21 VAL HA H 21 4.499 4.117 0.382 2
1 205 . 1 1 A 21 21 VAL C C 21 176.157 177.746 -1.589 2
1 206 . 1 1 A 21 21 VAL CA C 21 62.260 53.149 9.111 2
1 207 . 1 1 A 21 21 VAL CB C 21 31.627 18.667 12.960 2
1 210 . 1 1 A 21 21 VAL N N 21 127.297 126.670 0.627 2
1 211 . 1 1 A 22 22 VAL H H 22 9.178 8.442 0.736 2
1 212 . 1 1 A 22 22 VAL HA H 22 4.348 4.697 -0.349 2
1 220 . 1 1 A 22 22 VAL C C 22 175.253 175.194 0.059 2
1 221 . 1 1 A 22 22 VAL CA C 22 60.925 53.775 7.150 2
1 222 . 1 1 A 22 22 VAL CB C 22 34.352 39.411 -5.059 2
1 225 . 1 1 A 22 22 VAL N N 22 129.937 118.371 11.566 2
1 226 . 1 1 A 23 23 ARG H H 23 8.104 8.055 0.049 2
1 235 . 1 1 A 23 23 ARG C C 23 174.950 173.881 1.069 2
1 236 . 1 1 A 23 23 ARG CA C 23 55.516 45.250 10.266 2
1 240 . 1 1 A 23 23 ARG N N 23 125.848 108.047 17.801 2
1 242 . 1 1 A 24 24 VAL H H 24 9.325 8.238 1.087 2
1 243 . 1 1 A 24 24 VAL HA H 24 5.011 4.504 0.507 2
1 251 . 1 1 A 24 24 VAL C C 24 175.449 175.744 -0.295 2
1 252 . 1 1 A 24 24 VAL CA C 24 61.634 56.197 5.437 2
1 253 . 1 1 A 24 24 VAL CB C 24 33.928 30.895 3.033 2
1 256 . 1 1 A 24 24 VAL N N 24 124.136 118.666 5.470 2
1 257 . 1 1 A 25 25 ASP H H 25 8.414 8.187 0.227 2
1 258 . 1 1 A 25 25 ASP HA H 25 5.220 4.582 0.638 2
1 261 . 1 1 A 25 25 ASP C C 25 176.671 175.101 1.570 2
1 262 . 1 1 A 25 25 ASP CA C 25 52.956 55.130 -2.174 2
1 263 . 1 1 A 25 25 ASP CB C 25 43.473 30.211 13.262 2
1 264 . 1 1 A 25 25 ASP N N 25 126.172 120.110 6.062 2
1 265 . 1 1 A 26 26 HIS H H 26 9.152 8.648 0.504 2
1 266 . 1 1 A 26 26 HIS HA H 26 4.542 5.131 -0.589 2
1 271 . 1 1 A 26 26 HIS C C 26 174.917 175.176 -0.259 2
1 272 . 1 1 A 26 26 HIS CA C 26 56.700 55.483 1.217 2
1 273 . 1 1 A 26 26 HIS CB C 26 30.185 29.647 0.538 2
1 276 . 1 1 A 26 26 HIS N N 26 124.402 123.017 1.385 2
1 277 . 1 1 A 27 27 ALA H H 27 9.121 8.964 0.157 2
1 278 . 1 1 A 27 27 ALA HA H 27 3.984 4.718 -0.734 2
1 282 . 1 1 A 27 27 ALA C C 27 176.927 173.957 2.970 2
1 283 . 1 1 A 27 27 ALA CA C 27 53.240 62.583 -9.343 2
1 284 . 1 1 A 27 27 ALA CB C 27 17.122 70.100 -52.978 2
1 285 . 1 1 A 27 27 ALA N N 27 121.895 119.756 2.139 2
1 286 . 1 1 A 28 28 ASN H H 28 8.140 8.866 -0.726 2
1 287 . 1 1 A 28 28 ASN HA H 28 4.628 4.793 -0.165 2
1 292 . 1 1 A 28 28 ASN C C 28 176.389 175.281 1.108 2
1 293 . 1 1 A 28 28 ASN CA C 28 52.466 55.720 -3.254 2
1 294 . 1 1 A 28 28 ASN CB C 28 38.624 30.327 8.297 2
1 295 . 1 1 A 28 28 ASN N N 28 114.287 126.159 -11.872 2
1 297 . 1 1 A 29 29 GLY H H 29 8.254 9.274 -1.020 2
1 300 . 1 1 A 29 29 GLY C C 29 174.848 175.037 -0.189 2
1 301 . 1 1 A 29 29 GLY CA C 29 45.354 60.086 -14.732 2
1 302 . 1 1 A 29 29 GLY N N 29 108.650 126.579 -17.929 2
1 303 . 1 1 A 30 30 GLU H H 30 7.860 8.999 -1.139 2
1 304 . 1 1 A 30 30 GLU HA H 30 4.267 4.998 -0.731 2
1 309 . 1 1 A 30 30 GLU C C 30 176.802 173.897 2.905 2
1 310 . 1 1 A 30 30 GLU CA C 30 56.348 62.139 -5.791 2
1 311 . 1 1 A 30 30 GLU CB C 30 30.460 69.289 -38.829 2
1 313 . 1 1 A 30 30 GLU N N 30 119.375 123.644 -4.269 2
1 314 . 1 1 A 31 31 GLN H H 31 8.280 9.263 -0.983 2
1 315 . 1 1 A 31 31 GLN HA H 31 4.222 5.020 -0.798 2
1 322 . 1 1 A 31 31 GLN C C 31 175.995 175.467 0.528 2
1 323 . 1 1 A 31 31 GLN CA C 31 55.917 53.096 2.821 2
1 324 . 1 1 A 31 31 GLN CB C 31 30.002 44.351 -14.349 2
1 326 . 1 1 A 31 31 GLN N N 31 120.036 127.647 -7.611 2
1 328 . 1 1 A 32 32 GLN H H 32 7.520 8.760 -1.240 2
1 329 . 1 1 A 32 32 GLN HA H 32 4.905 4.804 0.101 2
1 336 . 1 1 A 32 32 GLN C C 32 176.112 175.721 0.391 2
1 337 . 1 1 A 32 32 GLN CA C 32 56.211 55.431 0.780 2
1 338 . 1 1 A 32 32 GLN CB C 32 30.863 31.127 -0.264 2
1 340 . 1 1 A 32 32 GLN N N 32 123.146 124.513 -1.367 2
1 342 . 1 1 A 33 33 THR H H 33 8.533 8.707 -0.174 2
1 343 . 1 1 A 33 33 THR HA H 33 4.621 4.746 -0.125 2
1 348 . 1 1 A 33 33 THR C C 33 173.112 174.119 -1.007 2
1 349 . 1 1 A 33 33 THR CA C 33 61.506 58.901 2.605 2
1 350 . 1 1 A 33 33 THR CB C 33 71.605 34.880 36.725 2
1 352 . 1 1 A 33 33 THR N N 33 118.233 120.772 -2.539 2
1 353 . 1 1 A 34 34 GLU H H 34 8.711 8.485 0.226 2
1 354 . 1 1 A 34 34 GLU HA H 34 4.939 4.680 0.259 2
1 359 . 1 1 A 34 34 GLU C C 34 175.108 175.748 -0.640 2
1 360 . 1 1 A 34 34 GLU CA C 34 55.553 56.849 -1.296 2
1 361 . 1 1 A 34 34 GLU CB C 34 31.950 65.383 -33.433 2
1 363 . 1 1 A 34 34 GLU N N 34 124.692 118.151 6.541 2
1 364 . 1 1 A 35 35 ILE H H 35 9.115 8.785 0.330 2
1 375 . 1 1 A 35 35 ILE C C 35 174.282 174.626 -0.344 2
1 376 . 1 1 A 35 35 ILE CA C 35 59.057 47.117 11.940 2
1 381 . 1 1 A 35 35 ILE N N 35 127.113 111.227 15.886 2
1 382 . 1 1 A 36 36 THR H H 36 8.545 7.976 0.569 2
1 383 . 1 1 A 36 36 THR HA H 36 4.772 4.678 0.094 2
1 388 . 1 1 A 36 36 THR C C 36 174.054 175.948 -1.894 2
1 389 . 1 1 A 36 36 THR CA C 36 62.257 54.309 7.948 2
1 390 . 1 1 A 36 36 THR CB C 36 68.948 40.801 28.147 2
1 392 . 1 1 A 36 36 THR N N 36 123.057 118.999 4.058 2
1 393 . 1 1 A 37 37 LEU H H 37 9.161 7.284 1.877 2
1 394 . 1 1 A 37 37 LEU HA H 37 4.503 4.429 0.074 2
1 404 . 1 1 A 37 37 LEU C C 37 175.047 175.955 -0.908 2
1 405 . 1 1 A 37 37 LEU CA C 37 52.646 54.516 -1.870 2
1 406 . 1 1 A 37 37 LEU CB C 37 45.951 43.275 2.676 2
1 410 . 1 1 A 37 37 LEU N N 37 128.195 122.284 5.911 2
1 411 . 1 1 A 38 38 ARG H H 38 8.258 8.704 -0.446 2
1 412 . 1 1 A 38 38 ARG HA H 38 4.556 5.117 -0.561 2
1 420 . 1 1 A 38 38 ARG C C 38 175.726 176.495 -0.769 2
1 421 . 1 1 A 38 38 ARG CA C 38 55.701 55.086 0.615 2
1 422 . 1 1 A 38 38 ARG CB C 38 29.601 31.663 -2.062 2
1 425 . 1 1 A 38 38 ARG N N 38 122.992 121.317 1.675 2
1 427 . 1 1 A 39 39 VAL H H 39 8.635 9.208 -0.573 2
1 428 . 1 1 A 39 39 VAL HA H 39 4.358 3.559 0.799 2
1 436 . 1 1 A 39 39 VAL C C 39 172.241 178.591 -6.350 2
1 437 . 1 1 A 39 39 VAL CA C 39 58.334 65.139 -6.805 2
1 438 . 1 1 A 39 39 VAL CB C 39 35.214 37.868 -2.654 2
1 441 . 1 1 A 39 39 VAL N N 39 118.388 120.761 -2.373 2
1 442 . 1 1 A 40 40 SER H H 40 6.388 8.443 -2.055 2
1 446 . 1 1 A 40 40 SER C C 40 175.046 176.770 -1.724 2
1 447 . 1 1 A 40 40 SER CA C 40 56.216 47.309 8.907 2
1 449 . 1 1 A 40 40 SER N N 40 108.799 108.500 0.299 2
1 450 . 1 1 A 41 41 GLY H H 41 9.085 7.915 1.170 2
1 451 . 1 1 A 41 41 GLY HA2 H 41 3.850 3.310 0.540 2
1 452 . 1 1 A 41 41 GLY HA3 H 41 4.321 3.594 0.727 2
1 453 . 1 1 A 41 41 GLY C C 41 173.137 175.845 -2.708 2
1 454 . 1 1 A 41 41 GLY CA C 41 47.346 46.522 0.824 2
1 455 . 1 1 A 41 41 GLY N N 41 107.767 109.541 -1.774 2
1 456 . 1 1 A 42 42 ASP H H 42 7.994 7.588 0.406 2
1 457 . 1 1 A 42 42 ASP HA H 42 4.498 3.573 0.925 2
1 460 . 1 1 A 42 42 ASP C C 42 175.609 177.610 -2.001 2
1 461 . 1 1 A 42 42 ASP CA C 42 53.241 65.671 -12.430 2
1 462 . 1 1 A 42 42 ASP CB C 42 40.331 31.565 8.766 2
1 463 . 1 1 A 42 42 ASP N N 42 112.956 121.645 -8.689 2
1 464 . 1 1 A 43 43 LEU H H 43 7.431 8.117 -0.685 2
1 465 . 1 1 A 43 43 LEU HA H 43 4.210 3.592 0.618 2
1 475 . 1 1 A 43 43 LEU C C 43 175.552 178.239 -2.687 2
1 476 . 1 1 A 43 43 LEU CA C 43 55.199 58.680 -3.481 2
1 477 . 1 1 A 43 43 LEU CB C 43 42.398 32.647 9.751 2
1 481 . 1 1 A 43 43 LEU N N 43 123.293 117.692 5.601 2
1 482 . 1 1 A 44 44 HIS H H 44 8.405 7.767 0.638 2
1 483 . 1 1 A 44 44 HIS HA H 44 5.154 3.940 1.214 2
1 488 . 1 1 A 44 44 HIS C C 44 177.511 178.670 -1.159 2
1 489 . 1 1 A 44 44 HIS CA C 44 54.692 57.754 -3.062 2
1 490 . 1 1 A 44 44 HIS CB C 44 30.868 41.658 -10.790 2
1 493 . 1 1 A 44 44 HIS N N 44 121.975 121.045 0.930 2
1 494 . 1 1 A 45 45 ILE H H 45 8.628 7.734 0.894 2
1 495 . 1 1 A 45 45 ILE HA H 45 3.445 3.925 -0.480 2
1 505 . 1 1 A 45 45 ILE C C 45 179.116 178.935 0.181 2
1 506 . 1 1 A 45 45 ILE CA C 45 62.585 59.312 3.273 2
1 507 . 1 1 A 45 45 ILE CB C 45 35.492 31.790 3.702 2
1 511 . 1 1 A 45 45 ILE N N 45 124.304 118.993 5.311 2
1 512 . 1 1 A 46 46 GLY H H 46 9.792 7.594 2.198 2
1 515 . 1 1 A 46 46 GLY C C 46 175.742 178.855 -3.113 2
1 516 . 1 1 A 46 46 GLY CA C 46 46.812 57.955 -11.143 2
1 517 . 1 1 A 46 46 GLY N N 46 106.610 120.297 -13.687 2
1 518 . 1 1 A 47 47 GLY H H 47 6.761 7.614 -0.853 2
1 521 . 1 1 A 47 47 GLY C C 47 176.182 177.959 -1.777 2
1 522 . 1 1 A 47 47 GLY CA C 47 46.819 66.593 -19.774 2
1 523 . 1 1 A 47 47 GLY N N 47 109.580 117.945 -8.365 2
1 524 . 1 1 A 48 48 VAL H H 48 7.669 8.218 -0.549 2
1 525 . 1 1 A 48 48 VAL HA H 48 3.083 3.934 -0.851 2
1 533 . 1 1 A 48 48 VAL C C 48 176.849 178.827 -1.978 2
1 534 . 1 1 A 48 48 VAL CA C 48 66.775 59.317 7.458 2
1 535 . 1 1 A 48 48 VAL CB C 48 30.944 29.055 1.889 2
1 538 . 1 1 A 48 48 VAL N N 48 123.461 119.647 3.814 2
1 539 . 1 1 A 49 49 MET H H 49 7.632 7.991 -0.359 2
1 540 . 1 1 A 49 49 MET HA H 49 3.143 4.045 -0.902 2
1 548 . 1 1 A 49 49 MET C C 49 176.774 178.257 -1.483 2
1 549 . 1 1 A 49 49 MET CA C 49 59.972 58.687 1.285 2
1 550 . 1 1 A 49 49 MET CB C 49 33.142 28.516 4.626 2
1 553 . 1 1 A 49 49 MET N N 49 115.691 119.368 -3.677 2
1 554 . 1 1 A 50 50 LEU H H 50 7.535 7.774 -0.239 2
1 555 . 1 1 A 50 50 LEU HA H 50 3.821 4.378 -0.557 2
1 565 . 1 1 A 50 50 LEU C C 50 179.001 176.097 2.904 2
1 566 . 1 1 A 50 50 LEU CA C 50 57.910 58.261 -0.351 2
1 567 . 1 1 A 50 50 LEU CB C 50 41.821 32.846 8.975 2
1 571 . 1 1 A 50 50 LEU N N 50 117.445 117.706 -0.261 2
1 572 . 1 1 A 51 51 LYS H H 51 7.447 8.286 -0.839 2
1 573 . 1 1 A 51 51 LYS HA H 51 3.880 4.430 -0.550 2
1 582 . 1 1 A 51 51 LYS C C 51 178.975 174.160 4.815 2
1 583 . 1 1 A 51 51 LYS CA C 51 59.003 54.139 4.864 2
1 584 . 1 1 A 51 51 LYS CB C 51 32.890 37.056 -4.166 2
1 588 . 1 1 A 51 51 LYS N N 51 118.306 116.543 1.763 2
1 589 . 1 1 A 52 52 LEU H H 52 7.547 7.913 -0.366 2
1 590 . 1 1 A 52 52 LEU HA H 52 3.523 4.471 -0.948 2
1 600 . 1 1 A 52 52 LEU C C 52 177.676 175.377 2.299 2
1 601 . 1 1 A 52 52 LEU CA C 52 58.038 60.583 -2.545 2
1 602 . 1 1 A 52 52 LEU CB C 52 41.660 39.781 1.879 2
1 606 . 1 1 A 52 52 LEU N N 52 119.198 119.504 -0.306 2
1 607 . 1 1 A 53 53 VAL H H 53 7.368 8.681 -1.313 2
1 608 . 1 1 A 53 53 VAL HA H 53 2.469 4.563 -2.094 2
1 616 . 1 1 A 53 53 VAL C C 53 179.189 176.412 2.776 2
1 617 . 1 1 A 53 53 VAL CA C 53 66.706 51.899 14.807 2
1 618 . 1 1 A 53 53 VAL CB C 53 31.343 18.318 13.025 2
1 621 . 1 1 A 53 53 VAL N N 53 117.879 130.835 -12.956 2
1 622 . 1 1 A 54 54 GLU H H 54 7.966 8.328 -0.362 2
1 623 . 1 1 A 54 54 GLU HA H 54 3.865 4.800 -0.935 2
1 628 . 1 1 A 54 54 GLU C C 54 178.593 173.652 4.941 2
1 629 . 1 1 A 54 54 GLU CA C 54 58.935 54.213 4.722 2
1 630 . 1 1 A 54 54 GLU CB C 54 29.772 31.477 -1.705 2
1 632 . 1 1 A 54 54 GLU N N 54 119.295 120.209 -0.914 2
1 633 . 1 1 A 55 55 GLN H H 55 7.651 8.545 -0.894 2
1 634 . 1 1 A 55 55 GLN HA H 55 4.005 4.752 -0.747 2
1 641 . 1 1 A 55 55 GLN C C 55 177.512 175.707 1.805 2
1 642 . 1 1 A 55 55 GLN CA C 55 57.362 53.494 3.868 2
1 643 . 1 1 A 55 55 GLN CB C 55 28.938 40.737 -11.799 2
1 645 . 1 1 A 55 55 GLN N N 55 116.036 120.774 -4.738 2
1 647 . 1 1 A 56 56 MET H H 56 7.691 8.587 -0.896 2
1 648 . 1 1 A 56 56 MET HA H 56 4.316 4.762 -0.446 2
1 656 . 1 1 A 56 56 MET C C 56 176.572 176.792 -0.220 2
1 657 . 1 1 A 56 56 MET CA C 56 56.492 57.279 -0.787 2
1 658 . 1 1 A 56 56 MET CB C 56 32.901 28.824 4.077 2
1 661 . 1 1 A 56 56 MET N N 56 117.664 125.414 -7.750 2
1 662 . 1 1 A 57 57 ASN H H 57 7.816 8.200 -0.384 2
1 663 . 1 1 A 57 57 ASN HA H 57 4.495 4.314 0.181 2
1 668 . 1 1 A 57 57 ASN C C 57 174.613 174.451 0.162 2
1 669 . 1 1 A 57 57 ASN CA C 57 53.813 61.149 -7.336 2
1 670 . 1 1 A 57 57 ASN CB C 57 37.713 62.879 -25.166 2
1 671 . 1 1 A 57 57 ASN N N 57 115.864 116.778 -0.914 2
1 673 . 1 1 A 58 58 ILE H H 58 8.391 8.218 0.173 2
1 674 . 1 1 A 58 58 ILE HA H 58 4.284 4.804 -0.520 2
1 684 . 1 1 A 58 58 ILE C C 58 175.277 174.747 0.530 2
1 685 . 1 1 A 58 58 ILE CA C 58 60.631 53.674 6.957 2
1 686 . 1 1 A 58 58 ILE CB C 58 41.470 41.480 -0.010 2
1 690 . 1 1 A 58 58 ILE N N 58 117.760 120.311 -2.551 2
1 691 . 1 1 A 59 59 ALA H H 59 8.438 8.301 0.137 2
1 692 . 1 1 A 59 59 ALA HA H 59 4.535 5.093 -0.558 2
1 696 . 1 1 A 59 59 ALA C C 59 175.554 174.120 1.434 2
1 697 . 1 1 A 59 59 ALA CA C 59 51.604 56.938 -5.334 2
1 698 . 1 1 A 59 59 ALA CB C 59 17.256 40.777 -23.521 2
1 699 . 1 1 A 59 59 ALA N N 59 129.371 120.953 8.418 2
1 700 . 1 1 A 60 60 GLN H H 60 7.498 8.513 -1.015 2
1 701 . 1 1 A 60 60 GLN HA H 60 4.291 5.117 -0.826 2
1 708 . 1 1 A 60 60 GLN C C 60 172.908 175.692 -2.784 2
1 709 . 1 1 A 60 60 GLN CA C 60 53.492 51.467 2.025 2
1 710 . 1 1 A 60 60 GLN CB C 60 30.340 23.495 6.845 2
1 712 . 1 1 A 60 60 GLN N N 60 120.550 122.829 -2.279 2
1 714 . 1 1 A 61 61 ASP H H 61 8.086 8.826 -0.740 2
1 715 . 1 1 A 61 61 ASP HA H 61 4.622 5.275 -0.653 2
1 718 . 1 1 A 61 61 ASP C C 61 177.529 175.640 1.889 2
1 719 . 1 1 A 61 61 ASP CA C 61 53.520 54.203 -0.683 2
1 720 . 1 1 A 61 61 ASP CB C 61 40.493 43.981 -3.488 2
1 721 . 1 1 A 61 61 ASP N N 61 118.225 120.481 -2.256 2
1 722 . 1 1 A 62 62 TRP H H 62 8.999 9.594 -0.595 2
1 723 . 1 1 A 62 62 TRP HA H 62 4.578 5.269 -0.691 2
1 732 . 1 1 A 62 62 TRP C C 62 178.609 174.609 4.000 2
1 733 . 1 1 A 62 62 TRP CA C 62 57.200 54.542 2.658 2
1 734 . 1 1 A 62 62 TRP CB C 62 29.155 31.442 -2.287 2
1 740 . 1 1 A 62 62 TRP N N 62 129.134 127.291 1.843 2
1 742 . 1 1 A 63 63 SER H H 63 8.756 8.711 0.045 2
1 743 . 1 1 A 63 63 SER HA H 63 4.127 4.749 -0.622 2
1 746 . 1 1 A 63 63 SER C C 63 175.119 175.666 -0.547 2
1 747 . 1 1 A 63 63 SER CA C 63 62.933 55.831 7.102 2
1 748 . 1 1 A 63 63 SER CB C 63 63.120 29.538 33.582 2
1 749 . 1 1 A 63 63 SER N N 63 119.231 129.806 -10.575 2
1 750 . 1 1 A 64 64 ASP H H 64 9.095 8.611 0.484 2
1 751 . 1 1 A 64 64 ASP HA H 64 4.876 3.812 1.064 2
1 754 . 1 1 A 64 64 ASP C C 64 177.267 178.164 -0.897 2
1 755 . 1 1 A 64 64 ASP CA C 64 54.157 59.519 -5.362 2
1 756 . 1 1 A 64 64 ASP CB C 64 43.116 29.560 13.556 2
1 757 . 1 1 A 64 64 ASP N N 64 120.137 126.551 -6.414 2
1 758 . 1 1 A 65 65 TYR H H 65 7.991 8.230 -0.239 2
1 759 . 1 1 A 65 65 TYR HA H 65 4.151 4.077 0.074 2
1 766 . 1 1 A 65 65 TYR C C 65 175.746 177.068 -1.322 2
1 767 . 1 1 A 65 65 TYR CA C 65 59.053 58.104 0.949 2
1 768 . 1 1 A 65 65 TYR CB C 65 38.836 28.464 10.372 2
1 773 . 1 1 A 65 65 TYR N N 65 121.458 118.682 2.776 2
1 774 . 1 1 A 66 66 ALA H H 66 8.698 7.063 1.635 2
1 775 . 1 1 A 66 66 ALA HA H 66 4.794 4.038 0.756 2
1 779 . 1 1 A 66 66 ALA C C 66 175.126 175.342 -0.216 2
1 780 . 1 1 A 66 66 ALA CA C 66 51.166 55.354 -4.188 2
1 781 . 1 1 A 66 66 ALA CB C 66 23.771 32.984 -9.213 2
1 782 . 1 1 A 66 66 ALA N N 66 122.944 116.710 6.234 2
1 783 . 1 1 A 67 67 LEU H H 67 9.131 7.395 1.736 2
1 784 . 1 1 A 67 67 LEU HA H 67 5.498 3.124 2.374 2
1 794 . 1 1 A 67 67 LEU C C 67 174.489 174.215 0.274 2
1 795 . 1 1 A 67 67 LEU CA C 67 53.987 56.512 -2.525 2
1 796 . 1 1 A 67 67 LEU CB C 67 44.080 27.711 16.369 2
1 800 . 1 1 A 67 67 LEU N N 67 118.646 116.286 2.360 2
1 801 . 1 1 A 68 68 TRP H H 68 9.934 6.428 3.506 2
1 802 . 1 1 A 68 68 TRP HA H 68 4.680 4.880 -0.200 2
1 811 . 1 1 A 68 68 TRP C C 68 174.148 172.714 1.434 2
1 812 . 1 1 A 68 68 TRP CA C 68 55.276 57.339 -2.063 2
1 813 . 1 1 A 68 68 TRP CB C 68 30.222 31.224 -1.002 2
1 819 . 1 1 A 68 68 TRP N N 68 126.978 115.047 11.931 2
1 821 . 1 1 A 69 69 TRP H H 69 8.507 8.940 -0.433 2
1 822 . 1 1 A 69 69 TRP HA H 69 5.060 5.527 -0.467 2
1 831 . 1 1 A 69 69 TRP C C 69 175.837 176.098 -0.261 2
1 832 . 1 1 A 69 69 TRP CA C 69 52.520 56.321 -3.801 2
1 833 . 1 1 A 69 69 TRP CB C 69 30.500 31.250 -0.750 2
1 839 . 1 1 A 69 69 TRP N N 69 129.756 124.018 5.738 2
1 841 . 1 1 A 70 70 GLU H H 70 8.917 9.576 -0.659 2
1 842 . 1 1 A 70 70 GLU HA H 70 3.817 4.496 -0.679 2
1 847 . 1 1 A 70 70 GLU C C 70 179.449 176.954 2.495 2
1 848 . 1 1 A 70 70 GLU CA C 70 60.208 54.683 5.525 2
1 849 . 1 1 A 70 70 GLU CB C 70 29.937 40.987 -11.050 2
1 851 . 1 1 A 70 70 GLU N N 70 126.517 126.314 0.203 2
1 852 . 1 1 A 71 71 GLN H H 71 8.515 8.373 0.142 2
1 853 . 1 1 A 71 71 GLN HA H 71 3.782 4.710 -0.928 2
1 860 . 1 1 A 71 71 GLN C C 71 177.266 176.994 0.272 2
1 861 . 1 1 A 71 71 GLN CA C 71 61.006 54.231 6.775 2
1 862 . 1 1 A 71 71 GLN CB C 71 27.451 42.541 -15.090 2
1 864 . 1 1 A 71 71 GLN N N 71 114.822 125.894 -11.072 2
1 866 . 1 1 A 72 72 LYS H H 72 5.086 7.519 -2.433 2
1 867 . 1 1 A 72 72 LYS HA H 72 3.719 4.405 -0.686 2
1 876 . 1 1 A 72 72 LYS C C 72 174.268 177.377 -3.109 2
1 877 . 1 1 A 72 72 LYS CA C 72 53.864 55.013 -1.149 2
1 878 . 1 1 A 72 72 LYS CB C 72 33.242 29.986 3.256 2
1 882 . 1 1 A 72 72 LYS N N 72 112.499 120.060 -7.561 2
1 883 . 1 1 A 73 73 ARG H H 73 7.402 7.984 -0.582 2
1 884 . 1 1 A 73 73 ARG HA H 73 2.800 4.182 -1.382 2
1 892 . 1 1 A 73 73 ARG C C 73 173.935 176.246 -2.311 2
1 893 . 1 1 A 73 73 ARG CA C 73 56.187 64.942 -8.755 2
1 894 . 1 1 A 73 73 ARG CB C 73 26.602 68.863 -42.261 2
1 897 . 1 1 A 73 73 ARG N N 73 118.477 113.773 4.704 2
1 899 . 1 1 A 74 74 CYS H H 74 6.242 7.842 -1.600 2
1 900 . 1 1 A 74 74 CYS HA H 74 4.671 4.435 0.236 2
1 903 . 1 1 A 74 74 CYS C C 74 171.332 175.555 -4.223 2
1 904 . 1 1 A 74 74 CYS CA C 74 54.443 57.649 -3.206 2
1 905 . 1 1 A 74 74 CYS CB C 74 31.599 30.333 1.266 2
1 906 . 1 1 A 74 74 CYS N N 74 110.705 120.323 -9.618 2
1 907 . 1 1 A 75 75 TRP H H 75 8.567 7.881 0.686 2
1 908 . 1 1 A 75 75 TRP HA H 75 5.414 4.765 0.649 2
1 917 . 1 1 A 75 75 TRP C C 75 177.638 176.503 1.135 2
1 918 . 1 1 A 75 75 TRP CA C 75 55.720 56.866 -1.146 2
1 919 . 1 1 A 75 75 TRP CB C 75 30.966 30.818 0.148 2
1 925 . 1 1 A 75 75 TRP N N 75 120.876 119.613 1.263 2
1 927 . 1 1 A 76 76 LEU H H 76 9.181 8.823 0.358 2
1 928 . 1 1 A 76 76 LEU HA H 76 4.737 4.954 -0.217 2
1 938 . 1 1 A 76 76 LEU C C 76 175.745 176.367 -0.622 2
1 939 . 1 1 A 76 76 LEU CA C 76 53.729 60.425 -6.696 2
1 940 . 1 1 A 76 76 LEU CB C 76 40.810 71.595 -30.785 2
1 944 . 1 1 A 76 76 LEU N N 76 125.488 114.951 10.537 2
1 945 . 1 1 A 77 77 LEU H H 77 7.711 9.031 -1.320 2
1 946 . 1 1 A 77 77 LEU HA H 77 4.416 4.074 0.342 2
1 956 . 1 1 A 77 77 LEU C C 77 178.257 178.850 -0.593 2
1 957 . 1 1 A 77 77 LEU CA C 77 54.539 58.262 -3.723 2
1 958 . 1 1 A 77 77 LEU CB C 77 42.566 41.599 0.967 2
1 962 . 1 1 A 77 77 LEU N N 77 119.493 122.896 -3.403 2
1 963 . 1 1 A 78 78 LYS H H 78 8.173 8.431 -0.258 2
1 964 . 1 1 A 78 78 LYS HA H 78 4.380 4.398 -0.018 2
1 973 . 1 1 A 78 78 LYS C C 78 177.029 178.589 -1.560 2
1 974 . 1 1 A 78 78 LYS CA C 78 54.048 57.597 -3.549 2
1 975 . 1 1 A 78 78 LYS CB C 78 28.755 40.950 -12.195 2
1 979 . 1 1 A 78 78 LYS N N 78 121.730 119.266 2.464 2
1 980 . 1 1 A 79 79 THR H H 79 7.812 7.800 0.012 2
1 981 . 1 1 A 79 79 THR HA H 79 3.677 4.061 -0.384 2
1 986 . 1 1 A 79 79 THR C C 79 175.193 178.947 -3.754 2
1 987 . 1 1 A 79 79 THR CA C 79 64.890 59.078 5.812 2
1 988 . 1 1 A 79 79 THR CB C 79 68.447 32.042 36.405 2
1 990 . 1 1 A 79 79 THR N N 79 114.142 119.017 -4.875 2
1 991 . 1 1 A 80 80 HIS H H 80 8.929 8.031 0.898 2
1 992 . 1 1 A 80 80 HIS HA H 80 4.759 4.753 0.006 2
1 995 . 1 1 A 80 80 HIS C C 80 175.622 175.329 0.293 2
1 996 . 1 1 A 80 80 HIS CA C 80 56.078 60.056 -3.978 2
1 997 . 1 1 A 80 80 HIS CB C 80 29.927 28.122 1.805 2
1 998 . 1 1 A 80 80 HIS N N 80 117.372 116.136 1.236 2
1 999 . 1 1 A 81 81 TRP H H 81 8.544 8.398 0.146 2
1 1009 . 1 1 A 81 81 TRP C C 81 175.952 174.323 1.629 2
1 1010 . 1 1 A 81 81 TRP CA C 81 56.009 45.418 10.591 2
1 1017 . 1 1 A 81 81 TRP N N 81 122.512 108.814 13.698 2
1 1019 . 1 1 A 82 82 THR H H 82 7.587 7.619 -0.032 2
1 1020 . 1 1 A 82 82 THR HA H 82 4.725 4.128 0.597 2
1 1025 . 1 1 A 82 82 THR C C 82 176.305 174.651 1.654 2
1 1026 . 1 1 A 82 82 THR CA C 82 60.250 61.000 -0.750 2
1 1027 . 1 1 A 82 82 THR CB C 82 70.601 32.008 38.593 2
1 1029 . 1 1 A 82 82 THR N N 82 109.728 121.855 -12.127 2
1 1030 . 1 1 A 83 83 LEU H H 83 8.354 8.525 -0.171 2
1 1031 . 1 1 A 83 83 LEU HA H 83 3.798 3.971 -0.173 2
1 1040 . 1 1 A 83 83 LEU C C 83 179.461 176.331 3.130 2
1 1041 . 1 1 A 83 83 LEU CA C 83 59.442 53.540 5.902 2
1 1042 . 1 1 A 83 83 LEU CB C 83 40.758 30.768 9.990 2
1 1045 . 1 1 A 83 83 LEU N N 83 122.120 127.154 -5.034 2
1 1046 . 1 1 A 84 84 ASP H H 84 8.985 7.919 1.066 2
1 1047 . 1 1 A 84 84 ASP HA H 84 4.427 4.086 0.341 2
1 1050 . 1 1 A 84 84 ASP C C 84 179.464 177.840 1.624 2
1 1051 . 1 1 A 84 84 ASP CA C 84 57.459 54.185 3.274 2
1 1052 . 1 1 A 84 84 ASP CB C 84 40.243 18.367 21.876 2
1 1053 . 1 1 A 84 84 ASP N N 84 118.020 122.182 -4.162 2
1 1054 . 1 1 A 85 85 LYS H H 85 8.134 7.954 0.180 2
1 1055 . 1 1 A 85 85 LYS HA H 85 3.820 4.645 -0.825 2
1 1064 . 1 1 A 85 85 LYS C C 85 178.824 175.790 3.034 2
1 1065 . 1 1 A 85 85 LYS CA C 85 59.103 54.359 4.744 2
1 1066 . 1 1 A 85 85 LYS CB C 85 32.229 40.999 -8.770 2
1 1070 . 1 1 A 85 85 LYS N N 85 123.380 116.268 7.112 2
1 1071 . 1 1 A 86 86 CYS H H 86 8.083 7.279 0.804 2
1 1072 . 1 1 A 86 86 CYS HA H 86 4.439 4.600 -0.161 2
1 1075 . 1 1 A 86 86 CYS C C 86 174.621 176.635 -2.014 2
1 1076 . 1 1 A 86 86 CYS CA C 86 61.800 51.141 10.659 2
1 1077 . 1 1 A 86 86 CYS CB C 86 28.700 20.317 8.383 2
1 1078 . 1 1 A 86 86 CYS N N 86 113.734 122.553 -8.819 2
1 1079 . 1 1 A 87 87 GLY H H 87 7.904 8.849 -0.945 2
1 1082 . 1 1 A 87 87 GLY C C 87 174.471 174.268 0.203 2
1 1083 . 1 1 A 87 87 GLY CA C 87 45.434 53.222 -7.788 2
1 1084 . 1 1 A 87 87 GLY N N 87 107.243 121.453 -14.210 2
1 1085 . 1 1 A 88 88 VAL H H 88 7.635 8.904 -1.269 2
1 1086 . 1 1 A 88 88 VAL HA H 88 3.165 5.191 -2.026 2
1 1094 . 1 1 A 88 88 VAL C C 88 173.926 174.284 -0.358 2
1 1095 . 1 1 A 88 88 VAL CA C 88 63.281 53.367 9.914 2
1 1096 . 1 1 A 88 88 VAL CB C 88 31.892 45.258 -13.366 2
1 1099 . 1 1 A 88 88 VAL N N 88 122.351 128.074 -5.723 2
1 1100 . 1 1 A 89 89 GLN H H 89 7.651 9.454 -1.803 2
1 1101 . 1 1 A 89 89 GLN HA H 89 3.946 5.565 -1.619 2
1 1108 . 1 1 A 89 89 GLN C C 89 175.629 174.712 0.917 2
1 1109 . 1 1 A 89 89 GLN CA C 89 53.861 52.951 0.910 2
1 1110 . 1 1 A 89 89 GLN CB C 89 31.010 45.726 -14.716 2
1 1112 . 1 1 A 89 89 GLN N N 89 125.820 128.682 -2.862 2
1 1114 . 1 1 A 90 90 ALA H H 90 7.025 9.514 -2.489 2
1 1115 . 1 1 A 90 90 ALA HA H 90 3.873 5.490 -1.617 2
1 1119 . 1 1 A 90 90 ALA C C 90 177.042 174.037 3.005 2
1 1120 . 1 1 A 90 90 ALA CA C 90 54.869 55.528 -0.659 2
1 1121 . 1 1 A 90 90 ALA CB C 90 18.818 41.559 -22.741 2
1 1122 . 1 1 A 90 90 ALA N N 90 118.713 127.668 -8.955 2
1 1123 . 1 1 A 91 91 ASP H H 91 8.310 8.654 -0.344 2
1 1124 . 1 1 A 91 91 ASP HA H 91 4.415 4.801 -0.386 2
1 1127 . 1 1 A 91 91 ASP C C 91 176.371 171.522 4.849 2
1 1128 . 1 1 A 91 91 ASP CA C 91 53.133 58.106 -4.973 2
1 1129 . 1 1 A 91 91 ASP CB C 91 39.673 72.637 -32.964 2
1 1130 . 1 1 A 91 91 ASP N N 91 113.050 121.483 -8.433 2
1 1132 . 1 1 A 92 92 ALA HA H 92 4.237 4.580 -0.343 2
1 1136 . 1 1 A 92 92 ALA C C 92 176.536 176.919 -0.383 2
1 1137 . 1 1 A 92 92 ALA CA C 92 53.721 62.919 -9.198 2
1 1138 . 1 1 A 92 92 ALA CB C 92 19.774 32.156 -12.382 2
1 1139 . 1 1 A 92 92 ALA N N 92 124.114 140.475 -16.361 2
1 1140 . 1 1 A 93 93 ASN H H 93 9.478 8.216 1.262 2
1 1141 . 1 1 A 93 93 ASN HA H 93 5.141 3.778 1.363 2
1 1146 . 1 1 A 93 93 ASN C C 93 173.906 175.829 -1.924 2
1 1147 . 1 1 A 93 93 ASN CA C 93 52.433 56.007 -3.574 2
1 1148 . 1 1 A 93 93 ASN CB C 93 38.547 27.788 10.759 2
1 1149 . 1 1 A 93 93 ASN N N 93 123.235 120.267 2.968 2
1 1151 . 1 1 A 94 94 LEU H H 94 8.675 8.064 0.611 2
1 1152 . 1 1 A 94 94 LEU HA H 94 5.429 4.445 0.984 2
1 1162 . 1 1 A 94 94 LEU C C 94 175.486 174.502 0.984 2
1 1163 . 1 1 A 94 94 LEU CA C 94 53.003 56.616 -3.613 2
1 1164 . 1 1 A 94 94 LEU CB C 94 44.739 29.463 15.276 2
1 1168 . 1 1 A 94 94 LEU N N 94 122.901 119.030 3.871 2
1 1169 . 1 1 A 95 95 LEU H H 95 9.412 8.070 1.342 2
1 1170 . 1 1 A 95 95 LEU HA H 95 5.388 4.278 1.110 2
1 1180 . 1 1 A 95 95 LEU C C 95 174.403 175.380 -0.977 2
1 1181 . 1 1 A 95 95 LEU CA C 95 53.155 56.132 -2.977 2
1 1182 . 1 1 A 95 95 LEU CB C 95 46.432 32.790 13.642 2
1 1186 . 1 1 A 95 95 LEU N N 95 126.034 121.380 4.654 2
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