data_16082_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 16082
_Entry.PDB_ID 2KCJ
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 20
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 1 A 2 2 PRO HA H -6 4.460 4.677 -0.217 1
1 8 . 1 1 1 A 2 2 PRO C C -6 176.875 175.321 1.554 1
1 9 . 1 1 1 A 2 2 PRO CA C -6 63.159 62.862 0.297 1
1 10 . 1 1 1 A 2 2 PRO CB C -6 32.292 31.565 0.727 1
1 13 . 1 1 1 A 3 3 LEU H H -5 8.483 8.574 -0.091 1
1 14 . 1 1 1 A 3 3 LEU HA H -5 4.334 4.664 -0.330 1
1 24 . 1 1 1 A 3 3 LEU C C -5 177.797 176.680 1.117 1
1 25 . 1 1 1 A 3 3 LEU CA C -5 55.474 53.277 2.197 1
1 26 . 1 1 1 A 3 3 LEU CB C -5 42.239 43.606 -1.367 1
1 30 . 1 1 1 A 3 3 LEU N N -5 122.315 123.687 -1.372 1
1 31 . 1 1 1 A 4 4 GLY H H -4 8.393 8.958 -0.565 1
1 32 . 1 1 1 A 4 4 GLY HA2 H -4 3.978 3.970 0.008 1
1 33 . 1 1 1 A 4 4 GLY HA3 H -4 3.978 3.971 0.007 1
1 34 . 1 1 1 A 4 4 GLY C C -4 173.730 174.209 -0.479 1
1 35 . 1 1 1 A 4 4 GLY CA C -4 45.158 45.665 -0.507 1
1 36 . 1 1 1 A 4 4 GLY N N -4 109.911 116.373 -6.462 1
1 37 . 1 1 1 A 5 5 SER H H -3 8.162 7.979 0.183 1
1 38 . 1 1 1 A 5 5 SER HA H -3 4.764 4.652 0.112 1
1 41 . 1 1 1 A 5 5 SER CA C -3 56.323 55.946 0.377 1
1 42 . 1 1 1 A 5 5 SER CB C -3 63.515 63.842 -0.327 1
1 43 . 1 1 1 A 5 5 SER N N -3 116.873 117.902 -1.029 1
1 44 . 1 1 1 A 6 6 PRO HA H -2 4.399 4.549 -0.150 1
1 47 . 1 1 1 A 6 6 PRO C C -2 176.587 176.743 -0.156 1
1 48 . 1 1 1 A 6 6 PRO CA C -2 63.552 63.701 -0.149 1
1 49 . 1 1 1 A 6 6 PRO CB C -2 31.997 32.288 -0.291 1
1 50 . 1 1 1 A 7 7 GLU H H -1 8.364 8.607 -0.243 1
1 51 . 1 1 1 A 7 7 GLU HA H -1 4.285 4.368 -0.083 1
1 56 . 1 1 1 A 7 7 GLU C C -1 174.954 174.398 0.556 1
1 57 . 1 1 1 A 7 7 GLU CA C -1 56.486 55.707 0.779 1
1 58 . 1 1 1 A 7 7 GLU CB C -1 29.924 28.045 1.879 1
1 60 . 1 1 1 A 7 7 GLU N N -1 119.665 121.770 -2.105 1
1 61 . 1 1 1 A 8 8 PHE H H 0 7.872 8.783 -0.911 1
1 62 . 1 1 1 A 8 8 PHE HA H 0 5.204 5.104 0.100 1
1 67 . 1 1 1 A 8 8 PHE C C 0 174.670 174.203 0.467 1
1 68 . 1 1 1 A 8 8 PHE CA C 0 56.861 56.634 0.227 1
1 69 . 1 1 1 A 8 8 PHE CB C 0 41.874 42.746 -0.872 1
1 72 . 1 1 1 A 8 8 PHE N N 0 122.497 122.017 0.480 1
1 73 . 1 1 1 A 9 9 MET H H 1 7.833 8.647 -0.814 1
1 74 . 1 1 1 A 9 9 MET HA H 1 4.095 4.975 -0.880 1
1 82 . 1 1 1 A 9 9 MET C C 1 171.191 174.110 -2.919 1
1 83 . 1 1 1 A 9 9 MET CA C 1 54.613 54.196 0.417 1
1 84 . 1 1 1 A 9 9 MET CB C 1 34.867 35.519 -0.652 1
1 87 . 1 1 1 A 9 9 MET N N 1 127.163 123.581 3.582 1
1 88 . 1 1 1 A 10 10 GLU H H 2 7.698 8.782 -1.084 1
1 89 . 1 1 1 A 10 10 GLU HA H 2 5.603 5.285 0.318 1
1 94 . 1 1 1 A 10 10 GLU C C 2 174.743 174.621 0.122 1
1 95 . 1 1 1 A 10 10 GLU CA C 2 53.345 54.543 -1.198 1
1 96 . 1 1 1 A 10 10 GLU CB C 2 32.408 33.682 -1.274 1
1 98 . 1 1 1 A 10 10 GLU N N 2 118.654 122.236 -3.582 1
1 99 . 1 1 1 A 11 11 GLY H H 3 7.994 7.785 0.209 1
1 100 . 1 1 1 A 11 11 GLY HA2 H 3 3.115 3.738 -0.623 1
1 101 . 1 1 1 A 11 11 GLY HA3 H 3 4.377 4.230 0.147 1
1 102 . 1 1 1 A 11 11 GLY C C 3 170.878 171.636 -0.758 1
1 103 . 1 1 1 A 11 11 GLY CA C 3 45.086 45.355 -0.269 1
1 104 . 1 1 1 A 11 11 GLY N N 3 108.296 106.280 2.016 1
1 105 . 1 1 1 A 12 12 VAL H H 4 8.463 8.593 -0.130 1
1 106 . 1 1 1 A 12 12 VAL HA H 4 4.969 5.510 -0.541 1
1 114 . 1 1 1 A 12 12 VAL C C 4 177.805 174.346 3.459 1
1 115 . 1 1 1 A 12 12 VAL CA C 4 62.373 59.297 3.076 1
1 116 . 1 1 1 A 12 12 VAL CB C 4 33.152 35.874 -2.722 1
1 119 . 1 1 1 A 12 12 VAL N N 4 119.624 117.942 1.682 1
1 120 . 1 1 1 A 13 13 LEU H H 5 8.647 9.093 -0.446 1
1 121 . 1 1 1 A 13 13 LEU HA H 5 4.382 4.925 -0.543 1
1 131 . 1 1 1 A 13 13 LEU C C 5 175.407 175.400 0.007 1
1 132 . 1 1 1 A 13 13 LEU CA C 5 54.139 53.659 0.480 1
1 133 . 1 1 1 A 13 13 LEU CB C 5 46.374 45.698 0.676 1
1 137 . 1 1 1 A 13 13 LEU N N 5 125.806 122.434 3.372 1
1 138 . 1 1 1 A 14 14 TYR H H 6 9.007 9.298 -0.291 1
1 139 . 1 1 1 A 14 14 TYR HA H 6 5.026 5.239 -0.213 1
1 144 . 1 1 1 A 14 14 TYR C C 6 175.047 174.756 0.291 1
1 145 . 1 1 1 A 14 14 TYR CA C 6 57.484 58.955 -1.471 1
1 146 . 1 1 1 A 14 14 TYR CB C 6 39.400 38.996 0.404 1
1 147 . 1 1 1 A 14 14 TYR N N 6 118.975 124.541 -5.566 1
1 148 . 1 1 1 A 15 15 LYS H H 7 9.549 8.728 0.821 1
1 149 . 1 1 1 A 15 15 LYS HA H 7 5.467 4.773 0.694 1
1 158 . 1 1 1 A 15 15 LYS C C 7 175.772 175.508 0.264 1
1 159 . 1 1 1 A 15 15 LYS CA C 7 54.136 54.421 -0.285 1
1 160 . 1 1 1 A 15 15 LYS CB C 7 37.043 35.299 1.744 1
1 164 . 1 1 1 A 15 15 LYS N N 7 123.867 128.008 -4.141 1
1 165 . 1 1 1 A 16 16 TRP H H 8 8.355 8.707 -0.352 1
1 166 . 1 1 1 A 16 16 TRP HA H 8 3.893 4.769 -0.876 1
1 175 . 1 1 1 A 16 16 TRP C C 8 176.038 176.167 -0.129 1
1 176 . 1 1 1 A 16 16 TRP CA C 8 57.880 57.766 0.114 1
1 177 . 1 1 1 A 16 16 TRP CB C 8 29.347 30.412 -1.065 1
1 183 . 1 1 1 A 16 16 TRP N N 8 129.111 129.265 -0.154 1
1 185 . 1 1 1 A 17 17 THR H H 9 6.754 8.385 -1.631 1
1 186 . 1 1 1 A 17 17 THR HA H 9 4.127 4.353 -0.226 1
1 191 . 1 1 1 A 17 17 THR C C 9 172.153 174.099 -1.946 1
1 192 . 1 1 1 A 17 17 THR CA C 9 61.413 61.791 -0.378 1
1 193 . 1 1 1 A 17 17 THR CB C 9 69.317 69.311 0.006 1
1 195 . 1 1 1 A 17 17 THR N N 9 121.030 118.104 2.926 1
1 196 . 1 1 1 A 18 18 ASN H H 10 7.418 7.152 0.266 1
1 197 . 1 1 1 A 18 18 ASN HA H 10 4.051 4.805 -0.754 1
1 202 . 1 1 1 A 18 18 ASN C C 10 174.308 174.598 -0.290 1
1 203 . 1 1 1 A 18 18 ASN CA C 10 52.089 51.895 0.194 1
1 204 . 1 1 1 A 18 18 ASN CB C 10 39.339 41.208 -1.869 1
1 205 . 1 1 1 A 18 18 ASN N N 10 115.655 117.704 -2.049 1
1 207 . 1 1 1 A 19 19 TYR H H 11 8.348 8.917 -0.569 1
1 208 . 1 1 1 A 19 19 TYR HA H 11 4.284 4.388 -0.104 1
1 215 . 1 1 1 A 19 19 TYR C C 11 175.974 177.426 -1.452 1
1 216 . 1 1 1 A 19 19 TYR CA C 11 60.774 60.358 0.416 1
1 217 . 1 1 1 A 19 19 TYR CB C 11 37.815 37.927 -0.112 1
1 222 . 1 1 1 A 19 19 TYR N N 11 115.508 123.866 -8.358 1
1 223 . 1 1 1 A 20 20 LEU H H 12 7.827 7.899 -0.072 1
1 224 . 1 1 1 A 20 20 LEU HA H 12 4.091 4.006 0.085 1
1 234 . 1 1 1 A 20 20 LEU C C 12 178.711 179.304 -0.593 1
1 235 . 1 1 1 A 20 20 LEU CA C 12 56.966 57.672 -0.706 1
1 236 . 1 1 1 A 20 20 LEU CB C 12 41.922 41.597 0.325 1
1 240 . 1 1 1 A 20 20 LEU N N 12 120.867 122.411 -1.544 1
1 241 . 1 1 1 A 21 21 THR H H 13 7.651 7.692 -0.041 1
1 242 . 1 1 1 A 21 21 THR HA H 13 4.162 4.266 -0.104 1
1 247 . 1 1 1 A 21 21 THR C C 13 175.842 174.833 1.009 1
1 248 . 1 1 1 A 21 21 THR CA C 13 62.159 62.611 -0.452 1
1 249 . 1 1 1 A 21 21 THR CB C 13 69.191 70.297 -1.106 1
1 251 . 1 1 1 A 21 21 THR N N 13 108.304 107.631 0.673 1
1 252 . 1 1 1 A 22 22 GLY H H 14 7.679 7.906 -0.227 1
1 253 . 1 1 1 A 22 22 GLY HA2 H 14 2.802 3.914 -1.112 1
1 254 . 1 1 1 A 22 22 GLY HA3 H 14 3.715 4.019 -0.304 1
1 255 . 1 1 1 A 22 22 GLY C C 14 175.108 173.304 1.804 1
1 256 . 1 1 1 A 22 22 GLY CA C 14 46.131 46.767 -0.636 1
1 257 . 1 1 1 A 22 22 GLY N N 14 109.901 110.735 -0.834 1
1 258 . 1 1 1 A 23 23 TRP H H 15 8.817 8.289 0.528 1
1 259 . 1 1 1 A 23 23 TRP HA H 15 4.724 5.682 -0.958 1
1 268 . 1 1 1 A 23 23 TRP C C 15 176.569 174.394 2.175 1
1 269 . 1 1 1 A 23 23 TRP CA C 15 56.897 55.372 1.525 1
1 270 . 1 1 1 A 23 23 TRP CB C 15 29.825 33.425 -3.600 1
1 275 . 1 1 1 A 23 23 TRP N N 15 126.927 122.268 4.659 1
1 277 . 1 1 1 A 24 24 GLN H H 16 8.931 8.634 0.297 1
1 278 . 1 1 1 A 24 24 GLN HA H 16 5.186 4.338 0.848 1
1 285 . 1 1 1 A 24 24 GLN CA C 16 52.369 51.792 0.577 1
1 286 . 1 1 1 A 24 24 GLN CB C 16 31.536 30.613 0.923 1
1 288 . 1 1 1 A 24 24 GLN N N 16 122.710 120.481 2.229 1
1 290 . 1 1 1 A 25 25 PRO HA H 17 4.206 5.084 -0.878 1
1 297 . 1 1 1 A 25 25 PRO C C 17 176.918 175.440 1.478 1
1 298 . 1 1 1 A 25 25 PRO CA C 17 62.894 62.955 -0.061 1
1 299 . 1 1 1 A 25 25 PRO CB C 17 31.444 31.941 -0.497 1
1 302 . 1 1 1 A 26 26 ARG H H 18 9.041 8.792 0.249 1
1 303 . 1 1 1 A 26 26 ARG HA H 18 4.857 4.871 -0.014 1
1 310 . 1 1 1 A 26 26 ARG C C 18 173.102 174.360 -1.258 1
1 311 . 1 1 1 A 26 26 ARG CA C 18 53.273 54.833 -1.560 1
1 312 . 1 1 1 A 26 26 ARG CB C 18 34.254 33.976 0.278 1
1 315 . 1 1 1 A 26 26 ARG N N 18 123.602 122.492 1.110 1
1 316 . 1 1 1 A 27 27 TRP H H 19 8.375 8.301 0.074 1
1 317 . 1 1 1 A 27 27 TRP HA H 19 5.077 5.253 -0.176 1
1 326 . 1 1 1 A 27 27 TRP C C 19 174.728 174.847 -0.119 1
1 327 . 1 1 1 A 27 27 TRP CA C 19 56.157 56.780 -0.623 1
1 328 . 1 1 1 A 27 27 TRP CB C 19 31.116 31.809 -0.693 1
1 334 . 1 1 1 A 27 27 TRP N N 19 121.669 127.563 -5.894 1
1 336 . 1 1 1 A 28 28 PHE H H 20 9.016 8.945 0.071 1
1 337 . 1 1 1 A 28 28 PHE HA H 20 5.385 5.644 -0.259 1
1 345 . 1 1 1 A 28 28 PHE C C 20 174.685 174.603 0.082 1
1 346 . 1 1 1 A 28 28 PHE CA C 20 56.699 56.047 0.652 1
1 347 . 1 1 1 A 28 28 PHE CB C 20 43.155 43.283 -0.128 1
1 353 . 1 1 1 A 28 28 PHE N N 20 128.520 125.699 2.821 1
1 354 . 1 1 1 A 29 29 VAL H H 21 9.058 9.227 -0.169 1
1 355 . 1 1 1 A 29 29 VAL HA H 21 4.681 5.116 -0.435 1
1 363 . 1 1 1 A 29 29 VAL C C 21 174.804 174.049 0.755 1
1 364 . 1 1 1 A 29 29 VAL CA C 21 61.719 59.734 1.985 1
1 365 . 1 1 1 A 29 29 VAL CB C 21 36.416 35.862 0.554 1
1 368 . 1 1 1 A 29 29 VAL N N 21 117.562 116.931 0.631 1
1 369 . 1 1 1 A 30 30 LEU H H 22 9.543 9.494 0.049 1
1 370 . 1 1 1 A 30 30 LEU HA H 22 5.311 5.266 0.045 1
1 380 . 1 1 1 A 30 30 LEU C C 22 173.506 175.124 -1.618 1
1 381 . 1 1 1 A 30 30 LEU CA C 22 53.213 53.977 -0.764 1
1 382 . 1 1 1 A 30 30 LEU CB C 22 44.939 44.245 0.694 1
1 386 . 1 1 1 A 30 30 LEU N N 22 131.939 127.489 4.450 1
1 387 . 1 1 1 A 31 31 ASP H H 23 8.513 9.020 -0.507 1
1 388 . 1 1 1 A 31 31 ASP HA H 23 5.151 5.130 0.021 1
1 391 . 1 1 1 A 31 31 ASP C C 23 176.940 174.880 2.060 1
1 392 . 1 1 1 A 31 31 ASP CA C 23 53.671 52.767 0.904 1
1 393 . 1 1 1 A 31 31 ASP CB C 23 43.770 44.000 -0.230 1
1 394 . 1 1 1 A 31 31 ASP N N 23 121.978 124.215 -2.237 1
1 395 . 1 1 1 A 32 32 ASN H H 24 9.280 9.228 0.052 1
1 396 . 1 1 1 A 32 32 ASN HA H 24 4.421 4.474 -0.053 1
1 401 . 1 1 1 A 32 32 ASN C C 24 175.044 175.451 -0.407 1
1 402 . 1 1 1 A 32 32 ASN CA C 24 54.362 54.377 -0.015 1
1 403 . 1 1 1 A 32 32 ASN CB C 24 37.804 37.117 0.687 1
1 404 . 1 1 1 A 32 32 ASN N N 24 125.653 119.845 5.808 1
1 406 . 1 1 1 A 33 33 GLY H H 25 8.997 8.591 0.406 1
1 407 . 1 1 1 A 33 33 GLY HA2 H 25 3.581 3.818 -0.237 1
1 408 . 1 1 1 A 33 33 GLY HA3 H 25 4.154 3.821 0.333 1
1 409 . 1 1 1 A 33 33 GLY C C 25 173.215 173.786 -0.571 1
1 410 . 1 1 1 A 33 33 GLY CA C 25 45.930 45.477 0.453 1
1 411 . 1 1 1 A 33 33 GLY N N 25 102.623 104.504 -1.881 1
1 412 . 1 1 1 A 34 34 ILE H H 26 7.955 8.230 -0.275 1
1 413 . 1 1 1 A 34 34 ILE HA H 26 4.771 4.494 0.277 1
1 423 . 1 1 1 A 34 34 ILE C C 26 174.753 173.829 0.924 1
1 424 . 1 1 1 A 34 34 ILE CA C 26 59.201 60.137 -0.936 1
1 425 . 1 1 1 A 34 34 ILE CB C 26 39.393 40.531 -1.138 1
1 429 . 1 1 1 A 34 34 ILE N N 26 122.350 122.603 -0.253 1
1 430 . 1 1 1 A 35 35 LEU H H 27 9.274 9.401 -0.127 1
1 431 . 1 1 1 A 35 35 LEU HA H 27 5.441 5.335 0.106 1
1 441 . 1 1 1 A 35 35 LEU C C 27 175.131 175.711 -0.580 1
1 442 . 1 1 1 A 35 35 LEU CA C 27 53.160 53.590 -0.430 1
1 443 . 1 1 1 A 35 35 LEU CB C 27 44.532 44.677 -0.145 1
1 447 . 1 1 1 A 35 35 LEU N N 27 132.013 130.890 1.123 1
1 448 . 1 1 1 A 36 36 SER H H 28 9.668 9.208 0.460 1
1 449 . 1 1 1 A 36 36 SER HA H 28 5.379 5.423 -0.044 1
1 452 . 1 1 1 A 36 36 SER C C 28 171.968 173.583 -1.615 1
1 453 . 1 1 1 A 36 36 SER CA C 28 57.345 55.687 1.658 1
1 454 . 1 1 1 A 36 36 SER CB C 28 66.044 66.180 -0.136 1
1 455 . 1 1 1 A 36 36 SER N N 28 123.682 121.581 2.101 1
1 456 . 1 1 1 A 37 37 TYR H H 29 7.452 8.170 -0.718 1
1 457 . 1 1 1 A 37 37 TYR HA H 29 5.658 5.928 -0.270 1
1 464 . 1 1 1 A 37 37 TYR C C 29 172.731 173.611 -0.880 1
1 465 . 1 1 1 A 37 37 TYR CA C 29 54.632 54.889 -0.257 1
1 466 . 1 1 1 A 37 37 TYR CB C 29 39.599 41.801 -2.202 1
1 471 . 1 1 1 A 37 37 TYR N N 29 115.554 118.571 -3.017 1
1 472 . 1 1 1 A 38 38 TYR H H 30 9.116 9.069 0.047 1
1 473 . 1 1 1 A 38 38 TYR HA H 30 4.626 4.967 -0.341 1
1 480 . 1 1 1 A 38 38 TYR C C 30 175.771 175.287 0.484 1
1 481 . 1 1 1 A 38 38 TYR CA C 30 56.194 56.655 -0.461 1
1 482 . 1 1 1 A 38 38 TYR CB C 30 43.253 43.349 -0.096 1
1 487 . 1 1 1 A 38 38 TYR N N 30 117.937 119.438 -1.501 1
1 488 . 1 1 1 A 39 39 ASP H H 31 9.474 9.711 -0.237 1
1 489 . 1 1 1 A 39 39 ASP HA H 31 4.624 4.561 0.063 1
1 492 . 1 1 1 A 39 39 ASP C C 31 176.264 175.458 0.806 1
1 493 . 1 1 1 A 39 39 ASP CA C 31 58.144 56.443 1.701 1
1 494 . 1 1 1 A 39 39 ASP CB C 31 40.399 41.653 -1.254 1
1 495 . 1 1 1 A 39 39 ASP N N 31 121.988 122.338 -0.350 1
1 496 . 1 1 1 A 40 40 SER H H 32 7.511 7.890 -0.379 1
1 497 . 1 1 1 A 40 40 SER HA H 32 4.567 4.620 -0.053 1
1 500 . 1 1 1 A 40 40 SER C C 32 173.752 173.888 -0.136 1
1 501 . 1 1 1 A 40 40 SER CA C 32 57.211 57.214 -0.003 1
1 502 . 1 1 1 A 40 40 SER CB C 32 65.547 66.644 -1.097 1
1 503 . 1 1 1 A 40 40 SER N N 32 107.441 110.917 -3.476 1
1 504 . 1 1 1 A 41 41 GLN H H 33 8.828 8.286 0.542 1
1 505 . 1 1 1 A 41 41 GLN HA H 33 2.511 3.134 -0.623 1
1 512 . 1 1 1 A 41 41 GLN C C 33 177.001 176.392 0.609 1
1 513 . 1 1 1 A 41 41 GLN CA C 33 58.261 58.694 -0.433 1
1 514 . 1 1 1 A 41 41 GLN CB C 33 27.168 28.037 -0.869 1
1 516 . 1 1 1 A 41 41 GLN N N 33 123.170 122.373 0.797 1
1 518 . 1 1 1 A 42 42 ASP H H 34 7.774 8.231 -0.457 1
1 519 . 1 1 1 A 42 42 ASP HA H 34 4.289 4.243 0.046 1
1 522 . 1 1 1 A 42 42 ASP C C 34 176.567 177.899 -1.332 1
1 523 . 1 1 1 A 42 42 ASP CA C 34 55.710 57.669 -1.959 1
1 524 . 1 1 1 A 42 42 ASP CB C 34 40.459 42.149 -1.690 1
1 525 . 1 1 1 A 42 42 ASP N N 34 116.558 119.624 -3.066 1
1 526 . 1 1 1 A 43 43 ASP H H 35 7.388 7.976 -0.588 1
1 527 . 1 1 1 A 43 43 ASP HA H 35 4.755 4.363 0.392 1
1 530 . 1 1 1 A 43 43 ASP C C 35 177.129 178.846 -1.717 1
1 531 . 1 1 1 A 43 43 ASP CA C 35 54.563 56.573 -2.010 1
1 532 . 1 1 1 A 43 43 ASP CB C 35 42.434 41.412 1.022 1
1 533 . 1 1 1 A 43 43 ASP N N 35 117.173 119.660 -2.487 1
1 534 . 1 1 1 A 44 44 VAL H H 36 7.063 7.635 -0.572 1
1 535 . 1 1 1 A 44 44 VAL HA H 36 3.372 2.492 0.880 1
1 543 . 1 1 1 A 44 44 VAL C C 36 178.169 178.634 -0.465 1
1 544 . 1 1 1 A 44 44 VAL CA C 36 65.325 65.778 -0.453 1
1 545 . 1 1 1 A 44 44 VAL CB C 36 31.179 30.744 0.435 1
1 548 . 1 1 1 A 44 44 VAL N N 36 121.695 119.286 2.409 1
1 549 . 1 1 1 A 45 45 CYS H H 37 8.133 7.707 0.426 1
1 550 . 1 1 1 A 45 45 CYS HA H 37 4.425 4.245 0.180 1
1 553 . 1 1 1 A 45 45 CYS C C 37 175.083 177.156 -2.073 1
1 554 . 1 1 1 A 45 45 CYS CA C 37 59.202 61.942 -2.740 1
1 555 . 1 1 1 A 45 45 CYS CB C 37 27.101 26.158 0.943 1
1 556 . 1 1 1 A 45 45 CYS N N 37 115.191 117.519 -2.328 1
1 557 . 1 1 1 A 46 46 LYS H H 38 7.844 7.659 0.185 1
1 558 . 1 1 1 A 46 46 LYS HA H 38 4.428 4.180 0.248 1
1 567 . 1 1 1 A 46 46 LYS C C 38 177.049 177.147 -0.098 1
1 568 . 1 1 1 A 46 46 LYS CA C 38 56.787 56.616 0.171 1
1 569 . 1 1 1 A 46 46 LYS CB C 38 33.119 32.693 0.426 1
1 573 . 1 1 1 A 46 46 LYS N N 38 121.496 117.642 3.854 1
1 574 . 1 1 1 A 47 47 GLY H H 39 7.759 7.335 0.424 1
1 575 . 1 1 1 A 47 47 GLY HA2 H 39 4.022 4.083 -0.061 1
1 576 . 1 1 1 A 47 47 GLY HA3 H 39 4.542 4.107 0.435 1
1 577 . 1 1 1 A 47 47 GLY C C 39 173.037 173.370 -0.333 1
1 578 . 1 1 1 A 47 47 GLY CA C 39 44.261 44.657 -0.396 1
1 579 . 1 1 1 A 47 47 GLY N N 39 107.270 107.108 0.162 1
1 580 . 1 1 1 A 48 48 SER H H 40 8.478 8.555 -0.077 1
1 581 . 1 1 1 A 48 48 SER HA H 40 3.783 4.573 -0.790 1
1 584 . 1 1 1 A 48 48 SER C C 40 175.221 174.606 0.615 1
1 585 . 1 1 1 A 48 48 SER CA C 40 57.947 58.848 -0.901 1
1 586 . 1 1 1 A 48 48 SER CB C 40 63.811 63.593 0.218 1
1 587 . 1 1 1 A 48 48 SER N N 40 116.121 117.320 -1.199 1
1 588 . 1 1 1 A 49 49 LYS H H 41 8.394 8.860 -0.466 1
1 589 . 1 1 1 A 49 49 LYS HA H 41 4.188 4.462 -0.274 1
1 598 . 1 1 1 A 49 49 LYS C C 41 176.470 176.582 -0.112 1
1 599 . 1 1 1 A 49 49 LYS CA C 41 55.331 56.464 -1.133 1
1 600 . 1 1 1 A 49 49 LYS CB C 41 32.293 33.500 -1.207 1
1 604 . 1 1 1 A 49 49 LYS N N 41 120.990 124.298 -3.308 1
1 605 . 1 1 1 A 50 50 GLY H H 42 6.747 7.155 -0.408 1
1 606 . 1 1 1 A 50 50 GLY HA2 H 42 3.531 3.889 -0.358 1
1 607 . 1 1 1 A 50 50 GLY HA3 H 42 3.884 3.937 -0.053 1
1 608 . 1 1 1 A 50 50 GLY C C 42 170.967 171.301 -0.334 1
1 609 . 1 1 1 A 50 50 GLY CA C 42 45.060 45.119 -0.059 1
1 610 . 1 1 1 A 50 50 GLY N N 42 106.048 104.613 1.435 1
1 611 . 1 1 1 A 51 51 SER H H 43 8.158 8.743 -0.585 1
1 612 . 1 1 1 A 51 51 SER HA H 43 5.343 5.036 0.307 1
1 615 . 1 1 1 A 51 51 SER C C 43 172.787 172.960 -0.173 1
1 616 . 1 1 1 A 51 51 SER CA C 43 57.639 57.291 0.348 1
1 617 . 1 1 1 A 51 51 SER CB C 43 65.897 66.983 -1.086 1
1 618 . 1 1 1 A 51 51 SER N N 43 113.080 116.822 -3.742 1
1 619 . 1 1 1 A 52 52 ILE H H 44 9.306 9.288 0.018 1
1 620 . 1 1 1 A 52 52 ILE HA H 44 4.203 4.708 -0.505 1
1 630 . 1 1 1 A 52 52 ILE C C 44 174.340 174.568 -0.228 1
1 631 . 1 1 1 A 52 52 ILE CA C 44 60.326 60.477 -0.151 1
1 632 . 1 1 1 A 52 52 ILE CB C 44 42.302 39.417 2.885 1
1 636 . 1 1 1 A 52 52 ILE N N 44 123.385 122.586 0.799 1
1 637 . 1 1 1 A 53 53 LYS H H 45 8.495 8.713 -0.218 1
1 638 . 1 1 1 A 53 53 LYS HA H 45 4.444 4.501 -0.057 1
1 647 . 1 1 1 A 53 53 LYS C C 45 176.283 176.424 -0.141 1
1 648 . 1 1 1 A 53 53 LYS CA C 45 56.255 55.598 0.657 1
1 649 . 1 1 1 A 53 53 LYS CB C 45 32.258 32.055 0.203 1
1 653 . 1 1 1 A 53 53 LYS N N 45 127.498 129.065 -1.567 1
1 654 . 1 1 1 A 54 54 MET H H 46 8.190 8.565 -0.375 1
1 655 . 1 1 1 A 54 54 MET HA H 46 4.585 4.051 0.534 1
1 663 . 1 1 1 A 54 54 MET C C 46 178.779 178.039 0.740 1
1 664 . 1 1 1 A 54 54 MET CA C 46 55.549 58.858 -3.309 1
1 665 . 1 1 1 A 54 54 MET CB C 46 29.465 32.243 -2.778 1
1 668 . 1 1 1 A 54 54 MET N N 46 123.817 123.805 0.012 1
1 669 . 1 1 1 A 55 55 ALA H H 47 8.860 8.001 0.859 1
1 670 . 1 1 1 A 55 55 ALA HA H 47 4.142 4.151 -0.009 1
1 674 . 1 1 1 A 55 55 ALA C C 47 178.752 177.798 0.954 1
1 675 . 1 1 1 A 55 55 ALA CA C 47 55.004 54.345 0.659 1
1 676 . 1 1 1 A 55 55 ALA CB C 47 19.312 18.371 0.941 1
1 677 . 1 1 1 A 55 55 ALA N N 47 119.194 120.999 -1.805 1
1 678 . 1 1 1 A 56 56 VAL H H 48 7.127 8.540 -1.413 1
1 679 . 1 1 1 A 56 56 VAL HA H 48 4.592 4.357 0.235 1
1 687 . 1 1 1 A 56 56 VAL C C 48 174.965 174.899 0.066 1
1 688 . 1 1 1 A 56 56 VAL CA C 48 60.038 61.509 -1.471 1
1 689 . 1 1 1 A 56 56 VAL CB C 48 31.878 33.654 -1.776 1
1 692 . 1 1 1 A 56 56 VAL N N 48 105.989 117.027 -11.038 1
1 693 . 1 1 1 A 57 57 CYS H H 49 7.414 7.708 -0.294 1
1 694 . 1 1 1 A 57 57 CYS HA H 49 4.897 5.123 -0.226 1
1 697 . 1 1 1 A 57 57 CYS C C 49 173.836 174.005 -0.169 1
1 698 . 1 1 1 A 57 57 CYS CA C 49 58.123 57.315 0.808 1
1 699 . 1 1 1 A 57 57 CYS CB C 49 30.078 30.029 0.049 1
1 700 . 1 1 1 A 57 57 CYS N N 49 119.973 120.178 -0.205 1
1 701 . 1 1 1 A 58 58 GLU H H 50 8.852 9.004 -0.152 1
1 702 . 1 1 1 A 58 58 GLU HA H 50 4.674 4.740 -0.066 1
1 707 . 1 1 1 A 58 58 GLU C C 50 175.085 174.963 0.122 1
1 708 . 1 1 1 A 58 58 GLU CA C 50 54.809 55.906 -1.097 1
1 709 . 1 1 1 A 58 58 GLU CB C 50 31.856 31.004 0.852 1
1 711 . 1 1 1 A 58 58 GLU N N 50 124.719 124.535 0.184 1
1 712 . 1 1 1 A 59 59 ILE H H 51 8.731 8.827 -0.096 1
1 713 . 1 1 1 A 59 59 ILE HA H 51 4.625 4.970 -0.345 1
1 723 . 1 1 1 A 59 59 ILE C C 51 175.513 174.209 1.304 1
1 724 . 1 1 1 A 59 59 ILE CA C 51 60.675 60.227 0.448 1
1 725 . 1 1 1 A 59 59 ILE CB C 51 39.717 39.889 -0.172 1
1 729 . 1 1 1 A 59 59 ILE N N 51 124.286 125.893 -1.607 1
1 730 . 1 1 1 A 60 60 LYS H H 52 9.212 9.336 -0.124 1
1 731 . 1 1 1 A 60 60 LYS HA H 52 4.829 4.728 0.101 1
1 740 . 1 1 1 A 60 60 LYS C C 52 175.594 175.404 0.190 1
1 741 . 1 1 1 A 60 60 LYS CA C 52 54.490 56.024 -1.534 1
1 742 . 1 1 1 A 60 60 LYS CB C 52 34.908 32.948 1.960 1
1 746 . 1 1 1 A 60 60 LYS N N 52 128.004 129.265 -1.261 1
1 747 . 1 1 1 A 61 61 VAL H H 53 8.776 8.723 0.053 1
1 748 . 1 1 1 A 61 61 VAL HA H 53 4.087 4.795 -0.708 1
1 756 . 1 1 1 A 61 61 VAL C C 53 175.262 175.287 -0.025 1
1 757 . 1 1 1 A 61 61 VAL CA C 53 62.067 61.161 0.906 1
1 758 . 1 1 1 A 61 61 VAL CB C 53 33.296 34.703 -1.407 1
1 761 . 1 1 1 A 61 61 VAL N N 53 124.000 124.671 -0.671 1
1 762 . 1 1 1 A 62 62 HIS H H 54 7.677 9.008 -1.331 1
1 763 . 1 1 1 A 62 62 HIS HA H 54 4.456 4.678 -0.222 1
1 766 . 1 1 1 A 62 62 HIS C C 54 176.465 175.949 0.516 1
1 767 . 1 1 1 A 62 62 HIS CA C 54 57.986 57.471 0.515 1
1 768 . 1 1 1 A 62 62 HIS CB C 54 32.369 30.767 1.602 1
1 769 . 1 1 1 A 62 62 HIS N N 54 127.177 127.488 -0.311 1
1 770 . 1 1 1 A 63 63 SER H H 55 8.552 8.389 0.163 1
1 771 . 1 1 1 A 63 63 SER HA H 55 4.251 4.557 -0.306 1
1 774 . 1 1 1 A 63 63 SER C C 55 174.509 174.297 0.212 1
1 775 . 1 1 1 A 63 63 SER CA C 55 60.312 59.577 0.735 1
1 776 . 1 1 1 A 63 63 SER CB C 55 63.609 65.816 -2.207 1
1 777 . 1 1 1 A 63 63 SER N N 55 120.508 113.560 6.948 1
1 778 . 1 1 1 A 64 64 ALA H H 56 8.807 7.742 1.065 1
1 779 . 1 1 1 A 64 64 ALA HA H 56 4.553 4.180 0.373 1
1 783 . 1 1 1 A 64 64 ALA C C 56 176.763 177.423 -0.660 1
1 784 . 1 1 1 A 64 64 ALA CA C 56 53.183 53.272 -0.089 1
1 785 . 1 1 1 A 64 64 ALA CB C 56 20.619 19.287 1.332 1
1 786 . 1 1 1 A 64 64 ALA N N 56 124.728 123.684 1.044 1
1 787 . 1 1 1 A 65 65 ASP H H 57 8.762 8.661 0.101 1
1 788 . 1 1 1 A 65 65 ASP HA H 57 4.689 4.920 -0.231 1
1 791 . 1 1 1 A 65 65 ASP C C 57 176.322 175.459 0.863 1
1 792 . 1 1 1 A 65 65 ASP CA C 57 52.911 53.894 -0.983 1
1 793 . 1 1 1 A 65 65 ASP CB C 57 41.216 39.491 1.725 1
1 794 . 1 1 1 A 65 65 ASP N N 57 120.574 123.796 -3.222 1
1 795 . 1 1 1 A 66 66 ASN H H 58 8.457 8.132 0.325 1
1 796 . 1 1 1 A 66 66 ASN HA H 58 4.580 5.053 -0.473 1
1 801 . 1 1 1 A 66 66 ASN C C 58 174.296 174.844 -0.548 1
1 802 . 1 1 1 A 66 66 ASN CA C 58 54.146 52.503 1.643 1
1 803 . 1 1 1 A 66 66 ASN CB C 58 37.538 41.686 -4.148 1
1 804 . 1 1 1 A 66 66 ASN N N 58 122.233 123.147 -0.914 1
1 806 . 1 1 1 A 67 67 THR H H 59 8.411 8.360 0.051 1
1 807 . 1 1 1 A 67 67 THR HA H 59 4.284 4.074 0.210 1
1 812 . 1 1 1 A 67 67 THR C C 59 175.932 174.911 1.021 1
1 813 . 1 1 1 A 67 67 THR CA C 59 62.159 64.311 -2.152 1
1 814 . 1 1 1 A 67 67 THR CB C 59 70.025 68.530 1.495 1
1 816 . 1 1 1 A 67 67 THR N N 59 104.777 114.839 -10.062 1
1 817 . 1 1 1 A 68 68 ARG H H 60 7.589 7.698 -0.109 1
1 818 . 1 1 1 A 68 68 ARG HA H 60 5.044 4.460 0.584 1
1 825 . 1 1 1 A 68 68 ARG C C 60 176.482 175.295 1.187 1
1 826 . 1 1 1 A 68 68 ARG CA C 60 56.516 55.464 1.052 1
1 827 . 1 1 1 A 68 68 ARG CB C 60 34.348 30.832 3.516 1
1 830 . 1 1 1 A 68 68 ARG N N 60 122.336 120.395 1.941 1
1 831 . 1 1 1 A 69 69 MET H H 61 9.018 8.266 0.752 1
1 832 . 1 1 1 A 69 69 MET HA H 61 4.997 5.188 -0.191 1
1 840 . 1 1 1 A 69 69 MET C C 61 172.463 174.401 -1.938 1
1 841 . 1 1 1 A 69 69 MET CA C 61 55.330 53.776 1.554 1
1 842 . 1 1 1 A 69 69 MET CB C 61 37.234 37.336 -0.102 1
1 845 . 1 1 1 A 69 69 MET N N 61 119.640 122.627 -2.987 1
1 846 . 1 1 1 A 70 70 GLU H H 62 8.996 8.876 0.120 1
1 847 . 1 1 1 A 70 70 GLU HA H 62 5.365 5.045 0.320 1
1 852 . 1 1 1 A 70 70 GLU C C 62 173.523 174.733 -1.210 1
1 853 . 1 1 1 A 70 70 GLU CA C 62 54.326 54.899 -0.573 1
1 854 . 1 1 1 A 70 70 GLU CB C 62 33.915 33.574 0.341 1
1 856 . 1 1 1 A 70 70 GLU N N 62 122.200 123.426 -1.226 1
1 857 . 1 1 1 A 71 71 LEU H H 63 8.763 9.524 -0.761 1
1 858 . 1 1 1 A 71 71 LEU HA H 63 5.222 5.379 -0.157 1
1 868 . 1 1 1 A 71 71 LEU C C 63 175.719 175.056 0.663 1
1 869 . 1 1 1 A 71 71 LEU CA C 63 53.222 53.401 -0.179 1
1 870 . 1 1 1 A 71 71 LEU CB C 63 43.781 43.331 0.450 1
1 874 . 1 1 1 A 71 71 LEU N N 63 123.741 127.022 -3.281 1
1 875 . 1 1 1 A 72 72 ILE H H 64 9.006 9.306 -0.300 1
1 876 . 1 1 1 A 72 72 ILE HA H 64 4.316 5.081 -0.765 1
1 886 . 1 1 1 A 72 72 ILE C C 64 175.349 173.351 1.998 1
1 887 . 1 1 1 A 72 72 ILE CA C 64 60.921 60.299 0.622 1
1 888 . 1 1 1 A 72 72 ILE CB C 64 39.919 41.066 -1.147 1
1 892 . 1 1 1 A 72 72 ILE N N 64 123.633 126.497 -2.864 1
1 893 . 1 1 1 A 73 73 ILE H H 65 8.601 9.071 -0.470 1
1 894 . 1 1 1 A 73 73 ILE HA H 65 4.854 4.815 0.039 1
1 904 . 1 1 1 A 73 73 ILE CA C 65 58.440 57.560 0.880 1
1 905 . 1 1 1 A 73 73 ILE CB C 65 39.820 40.769 -0.949 1
1 909 . 1 1 1 A 73 73 ILE N N 65 128.410 129.702 -1.292 1
1 910 . 1 1 1 A 74 74 PRO HA H 66 4.265 4.534 -0.269 1
1 917 . 1 1 1 A 74 74 PRO C C 66 177.170 177.453 -0.283 1
1 918 . 1 1 1 A 74 74 PRO CA C 66 64.500 64.017 0.483 1
1 919 . 1 1 1 A 74 74 PRO CB C 66 31.826 31.404 0.422 1
1 922 . 1 1 1 A 75 75 GLY H H 67 8.704 8.622 0.082 1
1 923 . 1 1 1 A 75 75 GLY HA2 H 67 3.753 3.968 -0.215 1
1 924 . 1 1 1 A 75 75 GLY HA3 H 67 4.251 3.979 0.272 1
1 925 . 1 1 1 A 75 75 GLY C C 67 174.192 175.388 -1.196 1
1 926 . 1 1 1 A 75 75 GLY CA C 67 45.479 45.719 -0.240 1
1 927 . 1 1 1 A 75 75 GLY N N 67 111.825 112.606 -0.781 1
1 928 . 1 1 1 A 76 76 GLU H H 68 8.258 7.769 0.489 1
1 929 . 1 1 1 A 76 76 GLU HA H 68 4.483 4.395 0.088 1
1 934 . 1 1 1 A 76 76 GLU C C 68 175.838 177.278 -1.440 1
1 935 . 1 1 1 A 76 76 GLU CA C 68 56.178 58.636 -2.458 1
1 936 . 1 1 1 A 76 76 GLU CB C 68 31.066 30.413 0.653 1
1 938 . 1 1 1 A 76 76 GLU N N 68 118.446 119.746 -1.300 1
1 939 . 1 1 1 A 77 77 GLN H H 69 8.102 8.333 -0.231 1
1 940 . 1 1 1 A 77 77 GLN HA H 69 4.556 4.527 0.029 1
1 947 . 1 1 1 A 77 77 GLN C C 69 175.179 175.439 -0.260 1
1 948 . 1 1 1 A 77 77 GLN CA C 69 55.633 56.733 -1.100 1
1 949 . 1 1 1 A 77 77 GLN CB C 69 31.116 28.880 2.236 1
1 951 . 1 1 1 A 77 77 GLN N N 69 117.826 119.244 -1.418 1
1 953 . 1 1 1 A 78 78 HIS H H 70 8.857 8.994 -0.137 1
1 954 . 1 1 1 A 78 78 HIS HA H 70 4.923 4.208 0.715 1
1 957 . 1 1 1 A 78 78 HIS C C 70 173.113 173.757 -0.644 1
1 958 . 1 1 1 A 78 78 HIS CA C 70 54.623 56.795 -2.172 1
1 959 . 1 1 1 A 78 78 HIS CB C 70 30.231 28.042 2.189 1
1 960 . 1 1 1 A 78 78 HIS N N 70 120.752 119.007 1.745 1
1 961 . 1 1 1 A 79 79 PHE H H 71 9.120 7.467 1.653 1
1 962 . 1 1 1 A 79 79 PHE HA H 71 4.797 4.723 0.074 1
1 967 . 1 1 1 A 79 79 PHE C C 71 174.341 174.110 0.231 1
1 968 . 1 1 1 A 79 79 PHE CA C 71 56.191 56.411 -0.220 1
1 969 . 1 1 1 A 79 79 PHE CB C 71 40.983 39.604 1.379 1
1 970 . 1 1 1 A 79 79 PHE N N 71 124.577 118.879 5.698 1
1 971 . 1 1 1 A 80 80 TYR H H 72 8.883 8.962 -0.079 1
1 972 . 1 1 1 A 80 80 TYR HA H 72 5.142 5.238 -0.096 1
1 979 . 1 1 1 A 80 80 TYR C C 72 175.115 174.081 1.034 1
1 980 . 1 1 1 A 80 80 TYR CA C 72 57.353 56.700 0.653 1
1 981 . 1 1 1 A 80 80 TYR CB C 72 39.753 41.366 -1.613 1
1 986 . 1 1 1 A 80 80 TYR N N 72 124.010 125.368 -1.358 1
1 987 . 1 1 1 A 81 81 MET H H 73 8.824 8.465 0.359 1
1 988 . 1 1 1 A 81 81 MET HA H 73 5.983 5.380 0.603 1
1 996 . 1 1 1 A 81 81 MET C C 73 175.053 174.711 0.342 1
1 997 . 1 1 1 A 81 81 MET CA C 73 54.453 53.722 0.731 1
1 998 . 1 1 1 A 81 81 MET CB C 73 38.584 35.645 2.939 1
1 1001 . 1 1 1 A 81 81 MET N N 73 120.151 125.900 -5.749 1
1 1002 . 1 1 1 A 82 82 LYS H H 74 9.103 8.727 0.376 1
1 1003 . 1 1 1 A 82 82 LYS HA H 74 4.800 5.150 -0.350 1
1 1012 . 1 1 1 A 82 82 LYS C C 74 174.244 175.607 -1.363 1
1 1013 . 1 1 1 A 82 82 LYS CA C 74 55.314 55.016 0.298 1
1 1014 . 1 1 1 A 82 82 LYS CB C 74 36.251 36.197 0.054 1
1 1018 . 1 1 1 A 82 82 LYS N N 74 121.097 123.266 -2.169 1
1 1019 . 1 1 1 A 83 83 ALA H H 75 8.740 8.337 0.403 1
1 1020 . 1 1 1 A 83 83 ALA HA H 75 4.786 4.644 0.142 1
1 1024 . 1 1 1 A 83 83 ALA C C 75 177.126 178.365 -1.239 1
1 1025 . 1 1 1 A 83 83 ALA CA C 75 49.893 51.474 -1.581 1
1 1026 . 1 1 1 A 83 83 ALA CB C 75 21.311 20.339 0.972 1
1 1027 . 1 1 1 A 83 83 ALA N N 75 126.624 127.878 -1.254 1
1 1028 . 1 1 1 A 84 84 VAL H H 76 9.105 8.665 0.440 1
1 1029 . 1 1 1 A 84 84 VAL HA H 76 3.835 3.794 0.041 1
1 1037 . 1 1 1 A 84 84 VAL C C 76 175.635 176.043 -0.408 1
1 1038 . 1 1 1 A 84 84 VAL CA C 76 64.888 65.621 -0.733 1
1 1039 . 1 1 1 A 84 84 VAL CB C 76 32.097 32.159 -0.062 1
1 1042 . 1 1 1 A 84 84 VAL N N 76 115.195 119.061 -3.866 1
1 1043 . 1 1 1 A 85 85 ASN H H 77 7.278 7.975 -0.697 1
1 1044 . 1 1 1 A 85 85 ASN HA H 77 4.476 5.030 -0.554 1
1 1049 . 1 1 1 A 85 85 ASN C C 77 174.796 175.583 -0.787 1
1 1050 . 1 1 1 A 85 85 ASN CA C 77 52.193 51.340 0.853 1
1 1051 . 1 1 1 A 85 85 ASN CB C 77 39.702 40.704 -1.002 1
1 1052 . 1 1 1 A 85 85 ASN N N 77 109.430 115.456 -6.026 1
1 1054 . 1 1 1 A 86 86 ALA H H 78 8.681 8.794 -0.113 1
1 1055 . 1 1 1 A 86 86 ALA HA H 78 4.195 4.038 0.157 1
1 1059 . 1 1 1 A 86 86 ALA C C 78 180.157 180.047 0.110 1
1 1060 . 1 1 1 A 86 86 ALA CA C 78 54.919 55.323 -0.404 1
1 1061 . 1 1 1 A 86 86 ALA CB C 78 18.721 18.195 0.526 1
1 1062 . 1 1 1 A 86 86 ALA N N 78 121.886 121.672 0.214 1
1 1063 . 1 1 1 A 87 87 ALA H H 79 8.386 8.205 0.181 1
1 1064 . 1 1 1 A 87 87 ALA HA H 79 4.200 4.010 0.190 1
1 1068 . 1 1 1 A 87 87 ALA C C 79 181.167 180.233 0.934 1
1 1069 . 1 1 1 A 87 87 ALA CA C 79 55.195 55.309 -0.114 1
1 1070 . 1 1 1 A 87 87 ALA CB C 79 17.663 18.234 -0.571 1
1 1071 . 1 1 1 A 87 87 ALA N N 79 123.939 120.242 3.697 1
1 1072 . 1 1 1 A 88 88 GLU H H 80 8.743 8.519 0.224 1
1 1073 . 1 1 1 A 88 88 GLU HA H 80 4.260 4.010 0.250 1
1 1078 . 1 1 1 A 88 88 GLU C C 80 178.848 179.403 -0.555 1
1 1079 . 1 1 1 A 88 88 GLU CA C 80 59.191 59.600 -0.409 1
1 1080 . 1 1 1 A 88 88 GLU CB C 80 29.898 29.426 0.472 1
1 1082 . 1 1 1 A 88 88 GLU N N 80 119.694 117.888 1.806 1
1 1083 . 1 1 1 A 89 89 ARG H H 81 7.936 8.486 -0.550 1
1 1084 . 1 1 1 A 89 89 ARG HA H 81 3.780 4.129 -0.349 1
1 1087 . 1 1 1 A 89 89 ARG C C 81 177.596 178.934 -1.338 1
1 1088 . 1 1 1 A 89 89 ARG CA C 81 61.042 59.247 1.795 1
1 1089 . 1 1 1 A 89 89 ARG CB C 81 29.630 29.857 -0.227 1
1 1090 . 1 1 1 A 89 89 ARG N N 81 119.080 120.582 -1.502 1
1 1091 . 1 1 1 A 90 90 GLN H H 82 8.063 8.123 -0.060 1
1 1092 . 1 1 1 A 90 90 GLN HA H 82 4.039 4.065 -0.026 1
1 1099 . 1 1 1 A 90 90 GLN C C 82 177.419 178.288 -0.869 1
1 1100 . 1 1 1 A 90 90 GLN CA C 82 59.069 59.042 0.027 1
1 1101 . 1 1 1 A 90 90 GLN CB C 82 27.786 28.323 -0.537 1
1 1103 . 1 1 1 A 90 90 GLN N N 82 118.390 118.401 -0.011 1
1 1105 . 1 1 1 A 91 91 ARG H H 83 7.700 7.533 0.167 1
1 1106 . 1 1 1 A 91 91 ARG HA H 83 3.961 3.987 -0.026 1
1 1114 . 1 1 1 A 91 91 ARG C C 83 180.016 179.092 0.924 1
1 1115 . 1 1 1 A 91 91 ARG CA C 83 59.750 59.466 0.284 1
1 1116 . 1 1 1 A 91 91 ARG CB C 83 30.401 29.606 0.795 1
1 1119 . 1 1 1 A 91 91 ARG N N 83 117.912 118.608 -0.696 1
1 1121 . 1 1 1 A 92 92 TRP H H 84 7.895 7.731 0.164 1
1 1122 . 1 1 1 A 92 92 TRP HA H 84 4.115 4.433 -0.318 1
1 1130 . 1 1 1 A 92 92 TRP C C 84 178.111 179.123 -1.012 1
1 1131 . 1 1 1 A 92 92 TRP CA C 84 61.633 59.478 2.155 1
1 1132 . 1 1 1 A 92 92 TRP CB C 84 29.032 29.559 -0.527 1
1 1137 . 1 1 1 A 92 92 TRP N N 84 119.237 121.163 -1.926 1
1 1139 . 1 1 1 A 93 93 LEU H H 85 8.988 8.628 0.360 1
1 1140 . 1 1 1 A 93 93 LEU HA H 85 3.978 4.027 -0.049 1
1 1150 . 1 1 1 A 93 93 LEU C C 85 180.925 179.653 1.272 1
1 1151 . 1 1 1 A 93 93 LEU CA C 85 58.716 57.838 0.878 1
1 1152 . 1 1 1 A 93 93 LEU CB C 85 41.506 41.270 0.236 1
1 1156 . 1 1 1 A 93 93 LEU N N 85 119.853 120.123 -0.270 1
1 1157 . 1 1 1 A 94 94 VAL H H 86 8.233 8.366 -0.133 1
1 1158 . 1 1 1 A 94 94 VAL HA H 86 3.695 3.524 0.171 1
1 1166 . 1 1 1 A 94 94 VAL C C 86 178.733 177.896 0.837 1
1 1167 . 1 1 1 A 94 94 VAL CA C 86 66.250 66.594 -0.344 1
1 1168 . 1 1 1 A 94 94 VAL CB C 86 31.886 31.595 0.291 1
1 1171 . 1 1 1 A 94 94 VAL N N 86 120.164 119.587 0.577 1
1 1172 . 1 1 1 A 95 95 ALA H H 87 7.345 7.730 -0.385 1
1 1173 . 1 1 1 A 95 95 ALA HA H 87 4.113 4.012 0.101 1
1 1177 . 1 1 1 A 95 95 ALA C C 87 180.055 180.564 -0.509 1
1 1178 . 1 1 1 A 95 95 ALA CA C 87 55.410 55.383 0.027 1
1 1179 . 1 1 1 A 95 95 ALA CB C 87 18.816 18.553 0.263 1
1 1180 . 1 1 1 A 95 95 ALA N N 87 123.818 121.593 2.225 1
1 1181 . 1 1 1 A 96 96 LEU H H 88 9.342 8.794 0.548 1
1 1182 . 1 1 1 A 96 96 LEU HA H 88 4.003 4.010 -0.007 1
1 1192 . 1 1 1 A 96 96 LEU C C 88 179.349 179.367 -0.018 1
1 1193 . 1 1 1 A 96 96 LEU CA C 88 57.786 58.300 -0.514 1
1 1194 . 1 1 1 A 96 96 LEU CB C 88 41.848 41.915 -0.067 1
1 1198 . 1 1 1 A 96 96 LEU N N 88 117.857 118.403 -0.546 1
1 1199 . 1 1 1 A 97 97 GLY H H 89 8.252 8.525 -0.273 1
1 1200 . 1 1 1 A 97 97 GLY HA2 H 89 3.819 3.849 -0.030 1
1 1201 . 1 1 1 A 97 97 GLY HA3 H 89 3.948 3.851 0.097 1
1 1202 . 1 1 1 A 97 97 GLY C C 89 176.463 176.163 0.300 1
1 1203 . 1 1 1 A 97 97 GLY CA C 89 46.620 47.382 -0.762 1
1 1204 . 1 1 1 A 97 97 GLY N N 89 105.618 105.821 -0.203 1
1 1205 . 1 1 1 A 98 98 SER H H 90 8.068 8.233 -0.165 1
1 1206 . 1 1 1 A 98 98 SER HA H 90 4.377 4.122 0.255 1
1 1209 . 1 1 1 A 98 98 SER C C 90 176.144 176.288 -0.144 1
1 1210 . 1 1 1 A 98 98 SER CA C 90 60.842 61.149 -0.307 1
1 1211 . 1 1 1 A 98 98 SER CB C 90 63.116 63.112 0.004 1
1 1212 . 1 1 1 A 98 98 SER N N 90 117.602 117.210 0.392 1
1 1213 . 1 1 1 A 99 99 SER H H 91 8.036 7.714 0.322 1
1 1214 . 1 1 1 A 99 99 SER HA H 91 4.324 4.182 0.142 1
1 1217 . 1 1 1 A 99 99 SER C C 91 175.818 177.368 -1.550 1
1 1218 . 1 1 1 A 99 99 SER CA C 91 60.720 61.358 -0.638 1
1 1219 . 1 1 1 A 99 99 SER CB C 91 63.831 62.898 0.933 1
1 1220 . 1 1 1 A 99 99 SER N N 91 116.877 115.714 1.163 1
1 1221 . 1 1 1 A 100 100 LYS H H 92 7.838 7.864 -0.026 1
1 1222 . 1 1 1 A 100 100 LYS HA H 92 4.068 4.032 0.036 1
1 1231 . 1 1 1 A 100 100 LYS C C 92 177.235 177.961 -0.726 1
1 1232 . 1 1 1 A 100 100 LYS CA C 92 58.121 59.176 -1.055 1
1 1233 . 1 1 1 A 100 100 LYS CB C 92 32.263 32.065 0.198 1
1 1237 . 1 1 1 A 100 100 LYS N N 92 119.456 121.557 -2.101 1
1 1238 . 1 1 1 A 101 101 ALA H H 93 7.924 7.524 0.400 1
1 1239 . 1 1 1 A 101 101 ALA HA H 93 4.321 4.223 0.098 1
1 1243 . 1 1 1 A 101 101 ALA C C 93 178.323 177.896 0.427 1
1 1244 . 1 1 1 A 101 101 ALA CA C 93 53.435 53.175 0.260 1
1 1245 . 1 1 1 A 101 101 ALA CB C 93 18.969 18.242 0.727 1
1 1246 . 1 1 1 A 101 101 ALA N N 93 122.054 120.503 1.551 1
1 1247 . 1 1 1 A 102 102 SER H H 94 8.061 8.626 -0.565 1
1 1248 . 1 1 1 A 102 102 SER HA H 94 4.451 4.049 0.402 1
1 1251 . 1 1 1 A 102 102 SER C C 94 174.773 172.977 1.796 1
1 1252 . 1 1 1 A 102 102 SER CA C 94 59.086 58.911 0.175 1
1 1253 . 1 1 1 A 102 102 SER CB C 94 63.766 61.373 2.393 1
1 1254 . 1 1 1 A 102 102 SER N N 94 114.102 114.730 -0.628 1
1 1255 . 1 1 1 A 103 103 LEU H H 95 8.053 7.912 0.141 1
1 1256 . 1 1 1 A 103 103 LEU HA H 95 4.507 4.690 -0.183 1
1 1266 . 1 1 1 A 103 103 LEU C C 95 177.589 176.345 1.244 1
1 1267 . 1 1 1 A 103 103 LEU CA C 95 55.398 53.915 1.483 1
1 1268 . 1 1 1 A 103 103 LEU CB C 95 42.435 44.166 -1.731 1
1 1272 . 1 1 1 A 103 103 LEU N N 95 123.264 121.761 1.503 1
1 1273 . 1 1 1 A 104 104 THR H H 96 8.045 8.588 -0.543 1
1 1274 . 1 1 1 A 104 104 THR HA H 96 4.383 4.482 -0.099 1
1 1279 . 1 1 1 A 104 104 THR C C 96 174.128 173.983 0.145 1
1 1280 . 1 1 1 A 104 104 THR CA C 96 61.982 61.302 0.680 1
1 1281 . 1 1 1 A 104 104 THR CB C 96 69.938 70.200 -0.262 1
1 1283 . 1 1 1 A 104 104 THR N N 96 113.833 115.686 -1.853 1
1 1284 . 1 1 1 A 105 105 ASP H H 97 8.346 8.762 -0.416 1
1 1285 . 1 1 1 A 105 105 ASP HA H 97 4.740 4.576 0.164 1
1 1288 . 1 1 1 A 105 105 ASP C C 97 176.310 175.019 1.291 1
1 1289 . 1 1 1 A 105 105 ASP CA C 97 54.300 54.672 -0.372 1
1 1290 . 1 1 1 A 105 105 ASP CB C 97 41.174 40.698 0.476 1
1 1291 . 1 1 1 A 105 105 ASP N N 97 123.107 120.496 2.611 1
1 1292 . 1 1 1 A 106 106 THR H H 98 8.147 8.327 -0.180 1
1 1293 . 1 1 1 A 106 106 THR HA H 98 4.355 4.373 -0.018 1
1 1298 . 1 1 1 A 106 106 THR C C 98 174.523 174.623 -0.100 1
1 1299 . 1 1 1 A 106 106 THR CA C 98 61.937 61.813 0.124 1
1 1300 . 1 1 1 A 106 106 THR CB C 98 69.656 68.941 0.715 1
1 1302 . 1 1 1 A 106 106 THR N N 98 114.857 113.760 1.097 1
1 1303 . 1 1 1 A 107 107 ARG H H 99 8.385 8.627 -0.242 1
1 1304 . 1 1 1 A 107 107 ARG HA H 99 4.442 4.668 -0.226 1
1 1312 . 1 1 1 A 107 107 ARG C C 99 175.764 176.429 -0.665 1
1 1313 . 1 1 1 A 107 107 ARG CA C 99 56.311 54.556 1.755 1
1 1314 . 1 1 1 A 107 107 ARG CB C 99 30.745 32.825 -2.080 1
1 1317 . 1 1 1 A 107 107 ARG N N 99 123.999 125.027 -1.028 1
1 1 . 2 1 1 A 2 2 PRO HA H -6 4.460 4.599 -0.139 1
1 8 . 2 1 1 A 2 2 PRO C C -6 176.875 175.846 1.029 1
1 9 . 2 1 1 A 2 2 PRO CA C -6 63.159 62.589 0.570 1
1 10 . 2 1 1 A 2 2 PRO CB C -6 32.292 30.351 1.941 1
1 13 . 2 1 1 A 3 3 LEU H H -5 8.483 8.243 0.240 1
1 14 . 2 1 1 A 3 3 LEU HA H -5 4.334 4.614 -0.280 1
1 24 . 2 1 1 A 3 3 LEU C C -5 177.797 177.144 0.653 1
1 25 . 2 1 1 A 3 3 LEU CA C -5 55.474 53.851 1.623 1
1 26 . 2 1 1 A 3 3 LEU CB C -5 42.239 43.365 -1.126 1
1 30 . 2 1 1 A 3 3 LEU N N -5 122.315 125.169 -2.854 1
1 31 . 2 1 1 A 4 4 GLY H H -4 8.393 8.971 -0.578 1
1 32 . 2 1 1 A 4 4 GLY HA2 H -4 3.978 3.978 0.000 1
1 33 . 2 1 1 A 4 4 GLY HA3 H -4 3.978 3.980 -0.002 1
1 34 . 2 1 1 A 4 4 GLY C C -4 173.730 174.220 -0.490 1
1 35 . 2 1 1 A 4 4 GLY CA C -4 45.158 45.703 -0.545 1
1 36 . 2 1 1 A 4 4 GLY N N -4 109.911 113.583 -3.672 1
1 37 . 2 1 1 A 5 5 SER H H -3 8.162 7.818 0.344 1
1 38 . 2 1 1 A 5 5 SER HA H -3 4.764 4.675 0.089 1
1 41 . 2 1 1 A 5 5 SER CA C -3 56.323 56.046 0.277 1
1 42 . 2 1 1 A 5 5 SER CB C -3 63.515 63.848 -0.333 1
1 43 . 2 1 1 A 5 5 SER N N -3 116.873 117.918 -1.045 1
1 44 . 2 1 1 A 6 6 PRO HA H -2 4.399 4.513 -0.114 1
1 47 . 2 1 1 A 6 6 PRO C C -2 176.587 176.538 0.049 1
1 48 . 2 1 1 A 6 6 PRO CA C -2 63.552 63.629 -0.077 1
1 49 . 2 1 1 A 6 6 PRO CB C -2 31.997 31.966 0.031 1
1 50 . 2 1 1 A 7 7 GLU H H -1 8.364 8.498 -0.134 1
1 51 . 2 1 1 A 7 7 GLU HA H -1 4.285 4.467 -0.182 1
1 56 . 2 1 1 A 7 7 GLU C C -1 174.954 175.463 -0.509 1
1 57 . 2 1 1 A 7 7 GLU CA C -1 56.486 56.070 0.416 1
1 58 . 2 1 1 A 7 7 GLU CB C -1 29.924 28.582 1.342 1
1 60 . 2 1 1 A 7 7 GLU N N -1 119.665 122.728 -3.063 1
1 61 . 2 1 1 A 8 8 PHE H H 0 7.872 8.803 -0.931 1
1 62 . 2 1 1 A 8 8 PHE HA H 0 5.204 5.546 -0.342 1
1 67 . 2 1 1 A 8 8 PHE C C 0 174.670 173.664 1.006 1
1 68 . 2 1 1 A 8 8 PHE CA C 0 56.861 56.238 0.623 1
1 69 . 2 1 1 A 8 8 PHE CB C 0 41.874 42.392 -0.518 1
1 72 . 2 1 1 A 8 8 PHE N N 0 122.497 127.797 -5.300 1
1 73 . 2 1 1 A 9 9 MET H H 1 7.833 8.384 -0.551 1
1 74 . 2 1 1 A 9 9 MET HA H 1 4.095 4.800 -0.705 1
1 82 . 2 1 1 A 9 9 MET C C 1 171.191 174.044 -2.853 1
1 83 . 2 1 1 A 9 9 MET CA C 1 54.613 53.968 0.645 1
1 84 . 2 1 1 A 9 9 MET CB C 1 34.867 35.412 -0.545 1
1 87 . 2 1 1 A 9 9 MET N N 1 127.163 127.342 -0.179 1
1 88 . 2 1 1 A 10 10 GLU H H 2 7.698 8.691 -0.993 1
1 89 . 2 1 1 A 10 10 GLU HA H 2 5.603 4.938 0.665 1
1 94 . 2 1 1 A 10 10 GLU C C 2 174.743 174.440 0.303 1
1 95 . 2 1 1 A 10 10 GLU CA C 2 53.345 54.177 -0.832 1
1 96 . 2 1 1 A 10 10 GLU CB C 2 32.408 33.663 -1.255 1
1 98 . 2 1 1 A 10 10 GLU N N 2 118.654 122.440 -3.786 1
1 99 . 2 1 1 A 11 11 GLY H H 3 7.994 7.495 0.499 1
1 100 . 2 1 1 A 11 11 GLY HA2 H 3 3.115 3.608 -0.493 1
1 101 . 2 1 1 A 11 11 GLY HA3 H 3 4.377 4.091 0.286 1
1 102 . 2 1 1 A 11 11 GLY C C 3 170.878 171.766 -0.888 1
1 103 . 2 1 1 A 11 11 GLY CA C 3 45.086 43.986 1.100 1
1 104 . 2 1 1 A 11 11 GLY N N 3 108.296 106.372 1.924 1
1 105 . 2 1 1 A 12 12 VAL H H 4 8.463 8.416 0.047 1
1 106 . 2 1 1 A 12 12 VAL HA H 4 4.969 5.425 -0.456 1
1 114 . 2 1 1 A 12 12 VAL C C 4 177.805 174.328 3.477 1
1 115 . 2 1 1 A 12 12 VAL CA C 4 62.373 59.248 3.125 1
1 116 . 2 1 1 A 12 12 VAL CB C 4 33.152 35.106 -1.954 1
1 119 . 2 1 1 A 12 12 VAL N N 4 119.624 115.314 4.310 1
1 120 . 2 1 1 A 13 13 LEU H H 5 8.647 9.343 -0.696 1
1 121 . 2 1 1 A 13 13 LEU HA H 5 4.382 5.007 -0.625 1
1 131 . 2 1 1 A 13 13 LEU C C 5 175.407 175.708 -0.301 1
1 132 . 2 1 1 A 13 13 LEU CA C 5 54.139 53.648 0.491 1
1 133 . 2 1 1 A 13 13 LEU CB C 5 46.374 45.295 1.079 1
1 137 . 2 1 1 A 13 13 LEU N N 5 125.806 123.502 2.304 1
1 138 . 2 1 1 A 14 14 TYR H H 6 9.007 9.472 -0.465 1
1 139 . 2 1 1 A 14 14 TYR HA H 6 5.026 5.323 -0.297 1
1 144 . 2 1 1 A 14 14 TYR C C 6 175.047 174.853 0.194 1
1 145 . 2 1 1 A 14 14 TYR CA C 6 57.484 59.743 -2.259 1
1 146 . 2 1 1 A 14 14 TYR CB C 6 39.400 39.210 0.190 1
1 147 . 2 1 1 A 14 14 TYR N N 6 118.975 125.667 -6.692 1
1 148 . 2 1 1 A 15 15 LYS H H 7 9.549 8.617 0.932 1
1 149 . 2 1 1 A 15 15 LYS HA H 7 5.467 5.083 0.384 1
1 158 . 2 1 1 A 15 15 LYS C C 7 175.772 175.483 0.289 1
1 159 . 2 1 1 A 15 15 LYS CA C 7 54.136 54.633 -0.497 1
1 160 . 2 1 1 A 15 15 LYS CB C 7 37.043 35.402 1.641 1
1 164 . 2 1 1 A 15 15 LYS N N 7 123.867 127.720 -3.853 1
1 165 . 2 1 1 A 16 16 TRP H H 8 8.355 9.015 -0.660 1
1 166 . 2 1 1 A 16 16 TRP HA H 8 3.893 4.710 -0.817 1
1 175 . 2 1 1 A 16 16 TRP C C 8 176.038 176.203 -0.165 1
1 176 . 2 1 1 A 16 16 TRP CA C 8 57.880 57.070 0.810 1
1 177 . 2 1 1 A 16 16 TRP CB C 8 29.347 30.348 -1.001 1
1 183 . 2 1 1 A 16 16 TRP N N 8 129.111 129.961 -0.850 1
1 185 . 2 1 1 A 17 17 THR H H 9 6.754 8.173 -1.419 1
1 186 . 2 1 1 A 17 17 THR HA H 9 4.127 4.355 -0.228 1
1 191 . 2 1 1 A 17 17 THR C C 9 172.153 173.793 -1.640 1
1 192 . 2 1 1 A 17 17 THR CA C 9 61.413 61.901 -0.488 1
1 193 . 2 1 1 A 17 17 THR CB C 9 69.317 69.235 0.082 1
1 195 . 2 1 1 A 17 17 THR N N 9 121.030 118.847 2.183 1
1 196 . 2 1 1 A 18 18 ASN H H 10 7.418 7.110 0.308 1
1 197 . 2 1 1 A 18 18 ASN HA H 10 4.051 5.024 -0.973 1
1 202 . 2 1 1 A 18 18 ASN C C 10 174.308 175.345 -1.037 1
1 203 . 2 1 1 A 18 18 ASN CA C 10 52.089 51.302 0.787 1
1 204 . 2 1 1 A 18 18 ASN CB C 10 39.339 41.803 -2.464 1
1 205 . 2 1 1 A 18 18 ASN N N 10 115.655 116.934 -1.279 1
1 207 . 2 1 1 A 19 19 TYR H H 11 8.348 8.960 -0.612 1
1 208 . 2 1 1 A 19 19 TYR HA H 11 4.284 4.206 0.078 1
1 215 . 2 1 1 A 19 19 TYR C C 11 175.974 177.239 -1.265 1
1 216 . 2 1 1 A 19 19 TYR CA C 11 60.774 60.150 0.624 1
1 217 . 2 1 1 A 19 19 TYR CB C 11 37.815 37.978 -0.163 1
1 222 . 2 1 1 A 19 19 TYR N N 11 115.508 121.001 -5.493 1
1 223 . 2 1 1 A 20 20 LEU H H 12 7.827 7.592 0.235 1
1 224 . 2 1 1 A 20 20 LEU HA H 12 4.091 3.977 0.114 1
1 234 . 2 1 1 A 20 20 LEU C C 12 178.711 178.842 -0.131 1
1 235 . 2 1 1 A 20 20 LEU CA C 12 56.966 57.636 -0.670 1
1 236 . 2 1 1 A 20 20 LEU CB C 12 41.922 41.818 0.104 1
1 240 . 2 1 1 A 20 20 LEU N N 12 120.867 122.152 -1.285 1
1 241 . 2 1 1 A 21 21 THR H H 13 7.651 7.656 -0.005 1
1 242 . 2 1 1 A 21 21 THR HA H 13 4.162 4.298 -0.136 1
1 247 . 2 1 1 A 21 21 THR C C 13 175.842 174.623 1.219 1
1 248 . 2 1 1 A 21 21 THR CA C 13 62.159 62.389 -0.230 1
1 249 . 2 1 1 A 21 21 THR CB C 13 69.191 70.449 -1.258 1
1 251 . 2 1 1 A 21 21 THR N N 13 108.304 107.292 1.012 1
1 252 . 2 1 1 A 22 22 GLY H H 14 7.679 8.057 -0.378 1
1 253 . 2 1 1 A 22 22 GLY HA2 H 14 2.802 3.666 -0.864 1
1 254 . 2 1 1 A 22 22 GLY HA3 H 14 3.715 3.949 -0.234 1
1 255 . 2 1 1 A 22 22 GLY C C 14 175.108 173.346 1.762 1
1 256 . 2 1 1 A 22 22 GLY CA C 14 46.131 46.390 -0.259 1
1 257 . 2 1 1 A 22 22 GLY N N 14 109.901 110.185 -0.284 1
1 258 . 2 1 1 A 23 23 TRP H H 15 8.817 8.284 0.533 1
1 259 . 2 1 1 A 23 23 TRP HA H 15 4.724 5.616 -0.892 1
1 268 . 2 1 1 A 23 23 TRP C C 15 176.569 174.443 2.126 1
1 269 . 2 1 1 A 23 23 TRP CA C 15 56.897 54.817 2.080 1
1 270 . 2 1 1 A 23 23 TRP CB C 15 29.825 33.027 -3.202 1
1 275 . 2 1 1 A 23 23 TRP N N 15 126.927 121.760 5.167 1
1 277 . 2 1 1 A 24 24 GLN H H 16 8.931 8.858 0.073 1
1 278 . 2 1 1 A 24 24 GLN HA H 16 5.186 4.255 0.931 1
1 285 . 2 1 1 A 24 24 GLN CA C 16 52.369 51.660 0.709 1
1 286 . 2 1 1 A 24 24 GLN CB C 16 31.536 30.571 0.965 1
1 288 . 2 1 1 A 24 24 GLN N N 16 122.710 119.705 3.005 1
1 290 . 2 1 1 A 25 25 PRO HA H 17 4.206 4.904 -0.698 1
1 297 . 2 1 1 A 25 25 PRO C C 17 176.918 175.622 1.296 1
1 298 . 2 1 1 A 25 25 PRO CA C 17 62.894 62.850 0.044 1
1 299 . 2 1 1 A 25 25 PRO CB C 17 31.444 31.616 -0.172 1
1 302 . 2 1 1 A 26 26 ARG H H 18 9.041 8.603 0.438 1
1 303 . 2 1 1 A 26 26 ARG HA H 18 4.857 4.835 0.022 1
1 310 . 2 1 1 A 26 26 ARG C C 18 173.102 175.139 -2.037 1
1 311 . 2 1 1 A 26 26 ARG CA C 18 53.273 54.799 -1.526 1
1 312 . 2 1 1 A 26 26 ARG CB C 18 34.254 33.156 1.098 1
1 315 . 2 1 1 A 26 26 ARG N N 18 123.602 122.993 0.609 1
1 316 . 2 1 1 A 27 27 TRP H H 19 8.375 8.480 -0.105 1
1 317 . 2 1 1 A 27 27 TRP HA H 19 5.077 5.290 -0.213 1
1 326 . 2 1 1 A 27 27 TRP C C 19 174.728 174.895 -0.167 1
1 327 . 2 1 1 A 27 27 TRP CA C 19 56.157 56.503 -0.346 1
1 328 . 2 1 1 A 27 27 TRP CB C 19 31.116 32.398 -1.282 1
1 334 . 2 1 1 A 27 27 TRP N N 19 121.669 127.696 -6.027 1
1 336 . 2 1 1 A 28 28 PHE H H 20 9.016 8.816 0.200 1
1 337 . 2 1 1 A 28 28 PHE HA H 20 5.385 5.582 -0.197 1
1 345 . 2 1 1 A 28 28 PHE C C 20 174.685 174.366 0.319 1
1 346 . 2 1 1 A 28 28 PHE CA C 20 56.699 56.237 0.462 1
1 347 . 2 1 1 A 28 28 PHE CB C 20 43.155 43.501 -0.346 1
1 353 . 2 1 1 A 28 28 PHE N N 20 128.520 125.415 3.105 1
1 354 . 2 1 1 A 29 29 VAL H H 21 9.058 9.135 -0.077 1
1 355 . 2 1 1 A 29 29 VAL HA H 21 4.681 5.227 -0.546 1
1 363 . 2 1 1 A 29 29 VAL C C 21 174.804 173.906 0.898 1
1 364 . 2 1 1 A 29 29 VAL CA C 21 61.719 59.698 2.021 1
1 365 . 2 1 1 A 29 29 VAL CB C 21 36.416 35.629 0.787 1
1 368 . 2 1 1 A 29 29 VAL N N 21 117.562 116.372 1.190 1
1 369 . 2 1 1 A 30 30 LEU H H 22 9.543 9.040 0.503 1
1 370 . 2 1 1 A 30 30 LEU HA H 22 5.311 5.359 -0.048 1
1 380 . 2 1 1 A 30 30 LEU C C 22 173.506 174.987 -1.481 1
1 381 . 2 1 1 A 30 30 LEU CA C 22 53.213 53.798 -0.585 1
1 382 . 2 1 1 A 30 30 LEU CB C 22 44.939 44.134 0.805 1
1 386 . 2 1 1 A 30 30 LEU N N 22 131.939 127.392 4.547 1
1 387 . 2 1 1 A 31 31 ASP H H 23 8.513 9.124 -0.611 1
1 388 . 2 1 1 A 31 31 ASP HA H 23 5.151 5.414 -0.263 1
1 391 . 2 1 1 A 31 31 ASP C C 23 176.940 175.566 1.374 1
1 392 . 2 1 1 A 31 31 ASP CA C 23 53.671 52.892 0.779 1
1 393 . 2 1 1 A 31 31 ASP CB C 23 43.770 43.853 -0.083 1
1 394 . 2 1 1 A 31 31 ASP N N 23 121.978 124.187 -2.209 1
1 395 . 2 1 1 A 32 32 ASN H H 24 9.280 9.600 -0.320 1
1 396 . 2 1 1 A 32 32 ASN HA H 24 4.421 4.415 0.006 1
1 401 . 2 1 1 A 32 32 ASN C C 24 175.044 174.655 0.389 1
1 402 . 2 1 1 A 32 32 ASN CA C 24 54.362 54.137 0.225 1
1 403 . 2 1 1 A 32 32 ASN CB C 24 37.804 37.450 0.354 1
1 404 . 2 1 1 A 32 32 ASN N N 24 125.653 118.473 7.180 1
1 406 . 2 1 1 A 33 33 GLY H H 25 8.997 9.117 -0.120 1
1 407 . 2 1 1 A 33 33 GLY HA2 H 25 3.581 3.890 -0.309 1
1 408 . 2 1 1 A 33 33 GLY HA3 H 25 4.154 3.891 0.263 1
1 409 . 2 1 1 A 33 33 GLY C C 25 173.215 173.848 -0.633 1
1 410 . 2 1 1 A 33 33 GLY CA C 25 45.930 45.686 0.244 1
1 411 . 2 1 1 A 33 33 GLY N N 25 102.623 103.857 -1.234 1
1 412 . 2 1 1 A 34 34 ILE H H 26 7.955 8.017 -0.062 1
1 413 . 2 1 1 A 34 34 ILE HA H 26 4.771 4.491 0.280 1
1 423 . 2 1 1 A 34 34 ILE C C 26 174.753 173.792 0.961 1
1 424 . 2 1 1 A 34 34 ILE CA C 26 59.201 60.469 -1.268 1
1 425 . 2 1 1 A 34 34 ILE CB C 26 39.393 40.739 -1.346 1
1 429 . 2 1 1 A 34 34 ILE N N 26 122.350 122.308 0.042 1
1 430 . 2 1 1 A 35 35 LEU H H 27 9.274 9.515 -0.241 1
1 431 . 2 1 1 A 35 35 LEU HA H 27 5.441 5.319 0.122 1
1 441 . 2 1 1 A 35 35 LEU C C 27 175.131 175.050 0.081 1
1 442 . 2 1 1 A 35 35 LEU CA C 27 53.160 53.670 -0.510 1
1 443 . 2 1 1 A 35 35 LEU CB C 27 44.532 44.657 -0.125 1
1 447 . 2 1 1 A 35 35 LEU N N 27 132.013 130.844 1.169 1
1 448 . 2 1 1 A 36 36 SER H H 28 9.668 9.560 0.108 1
1 449 . 2 1 1 A 36 36 SER HA H 28 5.379 5.219 0.160 1
1 452 . 2 1 1 A 36 36 SER C C 28 171.968 173.440 -1.472 1
1 453 . 2 1 1 A 36 36 SER CA C 28 57.345 57.924 -0.579 1
1 454 . 2 1 1 A 36 36 SER CB C 28 66.044 65.097 0.947 1
1 455 . 2 1 1 A 36 36 SER N N 28 123.682 124.886 -1.204 1
1 456 . 2 1 1 A 37 37 TYR H H 29 7.452 8.478 -1.026 1
1 457 . 2 1 1 A 37 37 TYR HA H 29 5.658 5.494 0.164 1
1 464 . 2 1 1 A 37 37 TYR C C 29 172.731 173.726 -0.995 1
1 465 . 2 1 1 A 37 37 TYR CA C 29 54.632 55.212 -0.580 1
1 466 . 2 1 1 A 37 37 TYR CB C 29 39.599 41.324 -1.725 1
1 471 . 2 1 1 A 37 37 TYR N N 29 115.554 122.353 -6.799 1
1 472 . 2 1 1 A 38 38 TYR H H 30 9.116 8.944 0.172 1
1 473 . 2 1 1 A 38 38 TYR HA H 30 4.626 4.928 -0.302 1
1 480 . 2 1 1 A 38 38 TYR C C 30 175.771 175.048 0.723 1
1 481 . 2 1 1 A 38 38 TYR CA C 30 56.194 56.561 -0.367 1
1 482 . 2 1 1 A 38 38 TYR CB C 30 43.253 43.123 0.130 1
1 487 . 2 1 1 A 38 38 TYR N N 30 117.937 119.224 -1.287 1
1 488 . 2 1 1 A 39 39 ASP H H 31 9.474 9.836 -0.362 1
1 489 . 2 1 1 A 39 39 ASP HA H 31 4.624 4.531 0.093 1
1 492 . 2 1 1 A 39 39 ASP C C 31 176.264 175.980 0.284 1
1 493 . 2 1 1 A 39 39 ASP CA C 31 58.144 56.458 1.686 1
1 494 . 2 1 1 A 39 39 ASP CB C 31 40.399 41.668 -1.269 1
1 495 . 2 1 1 A 39 39 ASP N N 31 121.988 122.045 -0.057 1
1 496 . 2 1 1 A 40 40 SER H H 32 7.511 7.870 -0.359 1
1 497 . 2 1 1 A 40 40 SER HA H 32 4.567 4.586 -0.019 1
1 500 . 2 1 1 A 40 40 SER C C 32 173.752 173.914 -0.162 1
1 501 . 2 1 1 A 40 40 SER CA C 32 57.211 56.940 0.271 1
1 502 . 2 1 1 A 40 40 SER CB C 32 65.547 64.975 0.572 1
1 503 . 2 1 1 A 40 40 SER N N 32 107.441 108.627 -1.186 1
1 504 . 2 1 1 A 41 41 GLN H H 33 8.828 8.098 0.730 1
1 505 . 2 1 1 A 41 41 GLN HA H 33 2.511 2.939 -0.428 1
1 512 . 2 1 1 A 41 41 GLN C C 33 177.001 176.241 0.760 1
1 513 . 2 1 1 A 41 41 GLN CA C 33 58.261 58.650 -0.389 1
1 514 . 2 1 1 A 41 41 GLN CB C 33 27.168 28.177 -1.009 1
1 516 . 2 1 1 A 41 41 GLN N N 33 123.170 120.189 2.981 1
1 518 . 2 1 1 A 42 42 ASP H H 34 7.774 8.019 -0.245 1
1 519 . 2 1 1 A 42 42 ASP HA H 34 4.289 4.207 0.082 1
1 522 . 2 1 1 A 42 42 ASP C C 34 176.567 178.113 -1.546 1
1 523 . 2 1 1 A 42 42 ASP CA C 34 55.710 57.262 -1.552 1
1 524 . 2 1 1 A 42 42 ASP CB C 34 40.459 40.872 -0.413 1
1 525 . 2 1 1 A 42 42 ASP N N 34 116.558 119.681 -3.123 1
1 526 . 2 1 1 A 43 43 ASP H H 35 7.388 7.915 -0.527 1
1 527 . 2 1 1 A 43 43 ASP HA H 35 4.755 4.300 0.455 1
1 530 . 2 1 1 A 43 43 ASP C C 35 177.129 178.172 -1.043 1
1 531 . 2 1 1 A 43 43 ASP CA C 35 54.563 56.062 -1.499 1
1 532 . 2 1 1 A 43 43 ASP CB C 35 42.434 41.205 1.229 1
1 533 . 2 1 1 A 43 43 ASP N N 35 117.173 119.539 -2.366 1
1 534 . 2 1 1 A 44 44 VAL H H 36 7.063 7.291 -0.228 1
1 535 . 2 1 1 A 44 44 VAL HA H 36 3.372 1.703 1.669 1
1 543 . 2 1 1 A 44 44 VAL C C 36 178.169 177.105 1.064 1
1 544 . 2 1 1 A 44 44 VAL CA C 36 65.325 65.542 -0.217 1
1 545 . 2 1 1 A 44 44 VAL CB C 36 31.179 31.293 -0.114 1
1 548 . 2 1 1 A 44 44 VAL N N 36 121.695 119.084 2.611 1
1 549 . 2 1 1 A 45 45 CYS H H 37 8.133 7.520 0.613 1
1 550 . 2 1 1 A 45 45 CYS HA H 37 4.425 4.214 0.211 1
1 553 . 2 1 1 A 45 45 CYS C C 37 175.083 176.496 -1.413 1
1 554 . 2 1 1 A 45 45 CYS CA C 37 59.202 61.561 -2.359 1
1 555 . 2 1 1 A 45 45 CYS CB C 37 27.101 27.465 -0.364 1
1 556 . 2 1 1 A 45 45 CYS N N 37 115.191 118.236 -3.045 1
1 557 . 2 1 1 A 46 46 LYS H H 38 7.844 7.607 0.237 1
1 558 . 2 1 1 A 46 46 LYS HA H 38 4.428 4.135 0.293 1
1 567 . 2 1 1 A 46 46 LYS C C 38 177.049 177.676 -0.627 1
1 568 . 2 1 1 A 46 46 LYS CA C 38 56.787 58.454 -1.667 1
1 569 . 2 1 1 A 46 46 LYS CB C 38 33.119 32.852 0.267 1
1 573 . 2 1 1 A 46 46 LYS N N 38 121.496 118.458 3.038 1
1 574 . 2 1 1 A 47 47 GLY H H 39 7.759 8.082 -0.323 1
1 575 . 2 1 1 A 47 47 GLY HA2 H 39 4.022 4.082 -0.060 1
1 576 . 2 1 1 A 47 47 GLY HA3 H 39 4.542 4.190 0.352 1
1 577 . 2 1 1 A 47 47 GLY C C 39 173.037 173.217 -0.180 1
1 578 . 2 1 1 A 47 47 GLY CA C 39 44.261 44.361 -0.100 1
1 579 . 2 1 1 A 47 47 GLY N N 39 107.270 109.009 -1.739 1
1 580 . 2 1 1 A 48 48 SER H H 40 8.478 8.379 0.099 1
1 581 . 2 1 1 A 48 48 SER HA H 40 3.783 5.113 -1.330 1
1 584 . 2 1 1 A 48 48 SER C C 40 175.221 175.217 0.004 1
1 585 . 2 1 1 A 48 48 SER CA C 40 57.947 56.615 1.332 1
1 586 . 2 1 1 A 48 48 SER CB C 40 63.811 64.325 -0.514 1
1 587 . 2 1 1 A 48 48 SER N N 40 116.121 115.548 0.573 1
1 588 . 2 1 1 A 49 49 LYS H H 41 8.394 8.961 -0.567 1
1 589 . 2 1 1 A 49 49 LYS HA H 41 4.188 4.532 -0.344 1
1 598 . 2 1 1 A 49 49 LYS C C 41 176.470 177.310 -0.840 1
1 599 . 2 1 1 A 49 49 LYS CA C 41 55.331 56.190 -0.859 1
1 600 . 2 1 1 A 49 49 LYS CB C 41 32.293 32.291 0.002 1
1 604 . 2 1 1 A 49 49 LYS N N 41 120.990 123.247 -2.257 1
1 605 . 2 1 1 A 50 50 GLY H H 42 6.747 8.040 -1.293 1
1 606 . 2 1 1 A 50 50 GLY HA2 H 42 3.531 3.858 -0.327 1
1 607 . 2 1 1 A 50 50 GLY HA3 H 42 3.884 3.859 0.025 1
1 608 . 2 1 1 A 50 50 GLY C C 42 170.967 174.371 -3.404 1
1 609 . 2 1 1 A 50 50 GLY CA C 42 45.060 47.408 -2.348 1
1 610 . 2 1 1 A 50 50 GLY N N 42 106.048 109.212 -3.164 1
1 611 . 2 1 1 A 51 51 SER H H 43 8.158 7.717 0.441 1
1 612 . 2 1 1 A 51 51 SER HA H 43 5.343 4.413 0.930 1
1 615 . 2 1 1 A 51 51 SER C C 43 172.787 172.570 0.217 1
1 616 . 2 1 1 A 51 51 SER CA C 43 57.639 58.244 -0.605 1
1 617 . 2 1 1 A 51 51 SER CB C 43 65.897 63.105 2.792 1
1 618 . 2 1 1 A 51 51 SER N N 43 113.080 113.167 -0.087 1
1 619 . 2 1 1 A 52 52 ILE H H 44 9.306 9.113 0.193 1
1 620 . 2 1 1 A 52 52 ILE HA H 44 4.203 4.648 -0.445 1
1 630 . 2 1 1 A 52 52 ILE C C 44 174.340 174.594 -0.254 1
1 631 . 2 1 1 A 52 52 ILE CA C 44 60.326 60.607 -0.281 1
1 632 . 2 1 1 A 52 52 ILE CB C 44 42.302 40.406 1.896 1
1 636 . 2 1 1 A 52 52 ILE N N 44 123.385 121.081 2.304 1
1 637 . 2 1 1 A 53 53 LYS H H 45 8.495 8.694 -0.199 1
1 638 . 2 1 1 A 53 53 LYS HA H 45 4.444 4.606 -0.162 1
1 647 . 2 1 1 A 53 53 LYS C C 45 176.283 176.581 -0.298 1
1 648 . 2 1 1 A 53 53 LYS CA C 45 56.255 56.480 -0.225 1
1 649 . 2 1 1 A 53 53 LYS CB C 45 32.258 32.558 -0.300 1
1 653 . 2 1 1 A 53 53 LYS N N 45 127.498 129.310 -1.812 1
1 654 . 2 1 1 A 54 54 MET H H 46 8.190 8.435 -0.245 1
1 655 . 2 1 1 A 54 54 MET HA H 46 4.585 4.146 0.439 1
1 663 . 2 1 1 A 54 54 MET C C 46 178.779 178.152 0.627 1
1 664 . 2 1 1 A 54 54 MET CA C 46 55.549 58.664 -3.115 1
1 665 . 2 1 1 A 54 54 MET CB C 46 29.465 31.853 -2.388 1
1 668 . 2 1 1 A 54 54 MET N N 46 123.817 125.446 -1.629 1
1 669 . 2 1 1 A 55 55 ALA H H 47 8.860 7.965 0.895 1
1 670 . 2 1 1 A 55 55 ALA HA H 47 4.142 4.162 -0.020 1
1 674 . 2 1 1 A 55 55 ALA C C 47 178.752 177.813 0.939 1
1 675 . 2 1 1 A 55 55 ALA CA C 47 55.004 54.313 0.691 1
1 676 . 2 1 1 A 55 55 ALA CB C 47 19.312 18.457 0.855 1
1 677 . 2 1 1 A 55 55 ALA N N 47 119.194 121.025 -1.831 1
1 678 . 2 1 1 A 56 56 VAL H H 48 7.127 7.944 -0.817 1
1 679 . 2 1 1 A 56 56 VAL HA H 48 4.592 4.373 0.219 1
1 687 . 2 1 1 A 56 56 VAL C C 48 174.965 175.623 -0.658 1
1 688 . 2 1 1 A 56 56 VAL CA C 48 60.038 61.384 -1.346 1
1 689 . 2 1 1 A 56 56 VAL CB C 48 31.878 33.515 -1.637 1
1 692 . 2 1 1 A 56 56 VAL N N 48 105.989 116.799 -10.810 1
1 693 . 2 1 1 A 57 57 CYS H H 49 7.414 7.694 -0.280 1
1 694 . 2 1 1 A 57 57 CYS HA H 49 4.897 5.170 -0.273 1
1 697 . 2 1 1 A 57 57 CYS C C 49 173.836 173.067 0.769 1
1 698 . 2 1 1 A 57 57 CYS CA C 49 58.123 57.326 0.797 1
1 699 . 2 1 1 A 57 57 CYS CB C 49 30.078 30.770 -0.692 1
1 700 . 2 1 1 A 57 57 CYS N N 49 119.973 120.895 -0.922 1
1 701 . 2 1 1 A 58 58 GLU H H 50 8.852 9.051 -0.199 1
1 702 . 2 1 1 A 58 58 GLU HA H 50 4.674 4.771 -0.097 1
1 707 . 2 1 1 A 58 58 GLU C C 50 175.085 175.104 -0.019 1
1 708 . 2 1 1 A 58 58 GLU CA C 50 54.809 56.016 -1.207 1
1 709 . 2 1 1 A 58 58 GLU CB C 50 31.856 30.793 1.063 1
1 711 . 2 1 1 A 58 58 GLU N N 50 124.719 125.787 -1.068 1
1 712 . 2 1 1 A 59 59 ILE H H 51 8.731 8.807 -0.076 1
1 713 . 2 1 1 A 59 59 ILE HA H 51 4.625 4.952 -0.327 1
1 723 . 2 1 1 A 59 59 ILE C C 51 175.513 174.292 1.221 1
1 724 . 2 1 1 A 59 59 ILE CA C 51 60.675 60.162 0.513 1
1 725 . 2 1 1 A 59 59 ILE CB C 51 39.717 39.953 -0.236 1
1 729 . 2 1 1 A 59 59 ILE N N 51 124.286 125.575 -1.289 1
1 730 . 2 1 1 A 60 60 LYS H H 52 9.212 9.359 -0.147 1
1 731 . 2 1 1 A 60 60 LYS HA H 52 4.829 4.701 0.128 1
1 740 . 2 1 1 A 60 60 LYS C C 52 175.594 175.420 0.174 1
1 741 . 2 1 1 A 60 60 LYS CA C 52 54.490 56.045 -1.555 1
1 742 . 2 1 1 A 60 60 LYS CB C 52 34.908 33.106 1.802 1
1 746 . 2 1 1 A 60 60 LYS N N 52 128.004 129.086 -1.082 1
1 747 . 2 1 1 A 61 61 VAL H H 53 8.776 8.749 0.027 1
1 748 . 2 1 1 A 61 61 VAL HA H 53 4.087 4.582 -0.495 1
1 756 . 2 1 1 A 61 61 VAL C C 53 175.262 176.238 -0.976 1
1 757 . 2 1 1 A 61 61 VAL CA C 53 62.067 60.749 1.318 1
1 758 . 2 1 1 A 61 61 VAL CB C 53 33.296 34.421 -1.125 1
1 761 . 2 1 1 A 61 61 VAL N N 53 124.000 123.893 0.107 1
1 762 . 2 1 1 A 62 62 HIS H H 54 7.677 9.029 -1.352 1
1 763 . 2 1 1 A 62 62 HIS HA H 54 4.456 4.260 0.196 1
1 766 . 2 1 1 A 62 62 HIS C C 54 176.465 175.203 1.262 1
1 767 . 2 1 1 A 62 62 HIS CA C 54 57.986 56.645 1.341 1
1 768 . 2 1 1 A 62 62 HIS CB C 54 32.369 28.969 3.400 1
1 769 . 2 1 1 A 62 62 HIS N N 54 127.177 124.756 2.421 1
1 770 . 2 1 1 A 63 63 SER H H 55 8.552 8.002 0.550 1
1 771 . 2 1 1 A 63 63 SER HA H 55 4.251 4.058 0.193 1
1 774 . 2 1 1 A 63 63 SER C C 55 174.509 175.256 -0.747 1
1 775 . 2 1 1 A 63 63 SER CA C 55 60.312 61.222 -0.910 1
1 776 . 2 1 1 A 63 63 SER CB C 55 63.609 63.092 0.517 1
1 777 . 2 1 1 A 63 63 SER N N 55 120.508 113.967 6.541 1
1 778 . 2 1 1 A 64 64 ALA H H 56 8.807 7.685 1.122 1
1 779 . 2 1 1 A 64 64 ALA HA H 56 4.553 4.321 0.232 1
1 783 . 2 1 1 A 64 64 ALA C C 56 176.763 176.652 0.111 1
1 784 . 2 1 1 A 64 64 ALA CA C 56 53.183 53.030 0.153 1
1 785 . 2 1 1 A 64 64 ALA CB C 56 20.619 19.856 0.763 1
1 786 . 2 1 1 A 64 64 ALA N N 56 124.728 118.157 6.571 1
1 787 . 2 1 1 A 65 65 ASP H H 57 8.762 7.946 0.816 1
1 788 . 2 1 1 A 65 65 ASP HA H 57 4.689 4.723 -0.034 1
1 791 . 2 1 1 A 65 65 ASP C C 57 176.322 175.894 0.428 1
1 792 . 2 1 1 A 65 65 ASP CA C 57 52.911 54.831 -1.920 1
1 793 . 2 1 1 A 65 65 ASP CB C 57 41.216 41.645 -0.429 1
1 794 . 2 1 1 A 65 65 ASP N N 57 120.574 117.309 3.265 1
1 795 . 2 1 1 A 66 66 ASN H H 58 8.457 8.562 -0.105 1
1 796 . 2 1 1 A 66 66 ASN HA H 58 4.580 4.896 -0.316 1
1 801 . 2 1 1 A 66 66 ASN C C 58 174.296 175.922 -1.626 1
1 802 . 2 1 1 A 66 66 ASN CA C 58 54.146 52.250 1.896 1
1 803 . 2 1 1 A 66 66 ASN CB C 58 37.538 40.211 -2.673 1
1 804 . 2 1 1 A 66 66 ASN N N 58 122.233 120.449 1.784 1
1 806 . 2 1 1 A 67 67 THR H H 59 8.411 8.733 -0.322 1
1 807 . 2 1 1 A 67 67 THR HA H 59 4.284 4.225 0.059 1
1 812 . 2 1 1 A 67 67 THR C C 59 175.932 173.061 2.871 1
1 813 . 2 1 1 A 67 67 THR CA C 59 62.159 63.803 -1.644 1
1 814 . 2 1 1 A 67 67 THR CB C 59 70.025 66.809 3.216 1
1 816 . 2 1 1 A 67 67 THR N N 59 104.777 116.330 -11.553 1
1 817 . 2 1 1 A 68 68 ARG H H 60 7.589 7.702 -0.113 1
1 818 . 2 1 1 A 68 68 ARG HA H 60 5.044 4.655 0.389 1
1 825 . 2 1 1 A 68 68 ARG C C 60 176.482 175.313 1.169 1
1 826 . 2 1 1 A 68 68 ARG CA C 60 56.516 54.764 1.752 1
1 827 . 2 1 1 A 68 68 ARG CB C 60 34.348 32.223 2.125 1
1 830 . 2 1 1 A 68 68 ARG N N 60 122.336 122.573 -0.237 1
1 831 . 2 1 1 A 69 69 MET H H 61 9.018 8.230 0.788 1
1 832 . 2 1 1 A 69 69 MET HA H 61 4.997 5.087 -0.090 1
1 840 . 2 1 1 A 69 69 MET C C 61 172.463 174.516 -2.053 1
1 841 . 2 1 1 A 69 69 MET CA C 61 55.330 53.993 1.337 1
1 842 . 2 1 1 A 69 69 MET CB C 61 37.234 37.322 -0.088 1
1 845 . 2 1 1 A 69 69 MET N N 61 119.640 122.753 -3.113 1
1 846 . 2 1 1 A 70 70 GLU H H 62 8.996 8.913 0.083 1
1 847 . 2 1 1 A 70 70 GLU HA H 62 5.365 4.989 0.376 1
1 852 . 2 1 1 A 70 70 GLU C C 62 173.523 174.809 -1.286 1
1 853 . 2 1 1 A 70 70 GLU CA C 62 54.326 54.844 -0.518 1
1 854 . 2 1 1 A 70 70 GLU CB C 62 33.915 33.373 0.542 1
1 856 . 2 1 1 A 70 70 GLU N N 62 122.200 123.763 -1.563 1
1 857 . 2 1 1 A 71 71 LEU H H 63 8.763 9.506 -0.743 1
1 858 . 2 1 1 A 71 71 LEU HA H 63 5.222 5.351 -0.129 1
1 868 . 2 1 1 A 71 71 LEU C C 63 175.719 174.833 0.886 1
1 869 . 2 1 1 A 71 71 LEU CA C 63 53.222 53.521 -0.299 1
1 870 . 2 1 1 A 71 71 LEU CB C 63 43.781 43.137 0.644 1
1 874 . 2 1 1 A 71 71 LEU N N 63 123.741 127.015 -3.274 1
1 875 . 2 1 1 A 72 72 ILE H H 64 9.006 9.308 -0.302 1
1 876 . 2 1 1 A 72 72 ILE HA H 64 4.316 5.081 -0.765 1
1 886 . 2 1 1 A 72 72 ILE C C 64 175.349 173.592 1.757 1
1 887 . 2 1 1 A 72 72 ILE CA C 64 60.921 60.173 0.748 1
1 888 . 2 1 1 A 72 72 ILE CB C 64 39.919 40.815 -0.896 1
1 892 . 2 1 1 A 72 72 ILE N N 64 123.633 126.729 -3.096 1
1 893 . 2 1 1 A 73 73 ILE H H 65 8.601 9.043 -0.442 1
1 894 . 2 1 1 A 73 73 ILE HA H 65 4.854 4.763 0.091 1
1 904 . 2 1 1 A 73 73 ILE CA C 65 58.440 57.404 1.036 1
1 905 . 2 1 1 A 73 73 ILE CB C 65 39.820 41.183 -1.363 1
1 909 . 2 1 1 A 73 73 ILE N N 65 128.410 129.643 -1.233 1
1 910 . 2 1 1 A 74 74 PRO HA H 66 4.265 4.291 -0.026 1
1 917 . 2 1 1 A 74 74 PRO C C 66 177.170 177.437 -0.267 1
1 918 . 2 1 1 A 74 74 PRO CA C 66 64.500 64.095 0.405 1
1 919 . 2 1 1 A 74 74 PRO CB C 66 31.826 31.479 0.347 1
1 922 . 2 1 1 A 75 75 GLY H H 67 8.704 8.772 -0.068 1
1 923 . 2 1 1 A 75 75 GLY HA2 H 67 3.753 3.969 -0.216 1
1 924 . 2 1 1 A 75 75 GLY HA3 H 67 4.251 3.982 0.269 1
1 925 . 2 1 1 A 75 75 GLY C C 67 174.192 175.202 -1.010 1
1 926 . 2 1 1 A 75 75 GLY CA C 67 45.479 45.737 -0.258 1
1 927 . 2 1 1 A 75 75 GLY N N 67 111.825 112.539 -0.714 1
1 928 . 2 1 1 A 76 76 GLU H H 68 8.258 8.245 0.013 1
1 929 . 2 1 1 A 76 76 GLU HA H 68 4.483 4.432 0.051 1
1 934 . 2 1 1 A 76 76 GLU C C 68 175.838 177.118 -1.280 1
1 935 . 2 1 1 A 76 76 GLU CA C 68 56.178 57.355 -1.177 1
1 936 . 2 1 1 A 76 76 GLU CB C 68 31.066 31.398 -0.332 1
1 938 . 2 1 1 A 76 76 GLU N N 68 118.446 120.112 -1.666 1
1 939 . 2 1 1 A 77 77 GLN H H 69 8.102 8.330 -0.228 1
1 940 . 2 1 1 A 77 77 GLN HA H 69 4.556 4.460 0.096 1
1 947 . 2 1 1 A 77 77 GLN C C 69 175.179 175.368 -0.189 1
1 948 . 2 1 1 A 77 77 GLN CA C 69 55.633 56.638 -1.005 1
1 949 . 2 1 1 A 77 77 GLN CB C 69 31.116 28.865 2.251 1
1 951 . 2 1 1 A 77 77 GLN N N 69 117.826 119.328 -1.502 1
1 953 . 2 1 1 A 78 78 HIS H H 70 8.857 8.919 -0.062 1
1 954 . 2 1 1 A 78 78 HIS HA H 70 4.923 4.131 0.792 1
1 957 . 2 1 1 A 78 78 HIS C C 70 173.113 173.691 -0.578 1
1 958 . 2 1 1 A 78 78 HIS CA C 70 54.623 56.602 -1.979 1
1 959 . 2 1 1 A 78 78 HIS CB C 70 30.231 28.244 1.987 1
1 960 . 2 1 1 A 78 78 HIS N N 70 120.752 118.846 1.906 1
1 961 . 2 1 1 A 79 79 PHE H H 71 9.120 7.327 1.793 1
1 962 . 2 1 1 A 79 79 PHE HA H 71 4.797 4.833 -0.036 1
1 967 . 2 1 1 A 79 79 PHE C C 71 174.341 173.578 0.763 1
1 968 . 2 1 1 A 79 79 PHE CA C 71 56.191 56.403 -0.212 1
1 969 . 2 1 1 A 79 79 PHE CB C 71 40.983 40.568 0.415 1
1 970 . 2 1 1 A 79 79 PHE N N 71 124.577 118.262 6.315 1
1 971 . 2 1 1 A 80 80 TYR H H 72 8.883 9.093 -0.210 1
1 972 . 2 1 1 A 80 80 TYR HA H 72 5.142 5.217 -0.075 1
1 979 . 2 1 1 A 80 80 TYR C C 72 175.115 174.441 0.674 1
1 980 . 2 1 1 A 80 80 TYR CA C 72 57.353 56.734 0.619 1
1 981 . 2 1 1 A 80 80 TYR CB C 72 39.753 41.782 -2.029 1
1 986 . 2 1 1 A 80 80 TYR N N 72 124.010 125.466 -1.456 1
1 987 . 2 1 1 A 81 81 MET H H 73 8.824 8.238 0.586 1
1 988 . 2 1 1 A 81 81 MET HA H 73 5.983 5.139 0.844 1
1 996 . 2 1 1 A 81 81 MET C C 73 175.053 174.437 0.616 1
1 997 . 2 1 1 A 81 81 MET CA C 73 54.453 53.965 0.488 1
1 998 . 2 1 1 A 81 81 MET CB C 73 38.584 36.375 2.209 1
1 1001 . 2 1 1 A 81 81 MET N N 73 120.151 125.373 -5.222 1
1 1002 . 2 1 1 A 82 82 LYS H H 74 9.103 8.532 0.571 1
1 1003 . 2 1 1 A 82 82 LYS HA H 74 4.800 5.268 -0.468 1
1 1012 . 2 1 1 A 82 82 LYS C C 74 174.244 175.739 -1.495 1
1 1013 . 2 1 1 A 82 82 LYS CA C 74 55.314 54.794 0.520 1
1 1014 . 2 1 1 A 82 82 LYS CB C 74 36.251 36.230 0.021 1
1 1018 . 2 1 1 A 82 82 LYS N N 74 121.097 123.961 -2.864 1
1 1019 . 2 1 1 A 83 83 ALA H H 75 8.740 8.694 0.046 1
1 1020 . 2 1 1 A 83 83 ALA HA H 75 4.786 4.623 0.163 1
1 1024 . 2 1 1 A 83 83 ALA C C 75 177.126 178.243 -1.117 1
1 1025 . 2 1 1 A 83 83 ALA CA C 75 49.893 51.497 -1.604 1
1 1026 . 2 1 1 A 83 83 ALA CB C 75 21.311 20.696 0.615 1
1 1027 . 2 1 1 A 83 83 ALA N N 75 126.624 128.192 -1.568 1
1 1028 . 2 1 1 A 84 84 VAL H H 76 9.105 8.691 0.414 1
1 1029 . 2 1 1 A 84 84 VAL HA H 76 3.835 3.714 0.121 1
1 1037 . 2 1 1 A 84 84 VAL C C 76 175.635 176.014 -0.379 1
1 1038 . 2 1 1 A 84 84 VAL CA C 76 64.888 65.977 -1.089 1
1 1039 . 2 1 1 A 84 84 VAL CB C 76 32.097 32.048 0.049 1
1 1042 . 2 1 1 A 84 84 VAL N N 76 115.195 119.705 -4.510 1
1 1043 . 2 1 1 A 85 85 ASN H H 77 7.278 7.937 -0.659 1
1 1044 . 2 1 1 A 85 85 ASN HA H 77 4.476 5.037 -0.561 1
1 1049 . 2 1 1 A 85 85 ASN C C 77 174.796 175.679 -0.883 1
1 1050 . 2 1 1 A 85 85 ASN CA C 77 52.193 51.474 0.719 1
1 1051 . 2 1 1 A 85 85 ASN CB C 77 39.702 40.495 -0.793 1
1 1052 . 2 1 1 A 85 85 ASN N N 77 109.430 115.451 -6.021 1
1 1054 . 2 1 1 A 86 86 ALA H H 78 8.681 8.719 -0.038 1
1 1055 . 2 1 1 A 86 86 ALA HA H 78 4.195 4.053 0.142 1
1 1059 . 2 1 1 A 86 86 ALA C C 78 180.157 179.988 0.169 1
1 1060 . 2 1 1 A 86 86 ALA CA C 78 54.919 55.475 -0.556 1
1 1061 . 2 1 1 A 86 86 ALA CB C 78 18.721 18.026 0.695 1
1 1062 . 2 1 1 A 86 86 ALA N N 78 121.886 121.506 0.380 1
1 1063 . 2 1 1 A 87 87 ALA H H 79 8.386 8.085 0.301 1
1 1064 . 2 1 1 A 87 87 ALA HA H 79 4.200 4.047 0.153 1
1 1068 . 2 1 1 A 87 87 ALA C C 79 181.167 180.036 1.131 1
1 1069 . 2 1 1 A 87 87 ALA CA C 79 55.195 55.232 -0.037 1
1 1070 . 2 1 1 A 87 87 ALA CB C 79 17.663 18.017 -0.354 1
1 1071 . 2 1 1 A 87 87 ALA N N 79 123.939 120.101 3.838 1
1 1072 . 2 1 1 A 88 88 GLU H H 80 8.743 8.656 0.087 1
1 1073 . 2 1 1 A 88 88 GLU HA H 80 4.260 4.041 0.219 1
1 1078 . 2 1 1 A 88 88 GLU C C 80 178.848 179.298 -0.450 1
1 1079 . 2 1 1 A 88 88 GLU CA C 80 59.191 59.513 -0.322 1
1 1080 . 2 1 1 A 88 88 GLU CB C 80 29.898 29.351 0.547 1
1 1082 . 2 1 1 A 88 88 GLU N N 80 119.694 118.052 1.642 1
1 1083 . 2 1 1 A 89 89 ARG H H 81 7.936 8.199 -0.263 1
1 1084 . 2 1 1 A 89 89 ARG HA H 81 3.780 4.077 -0.297 1
1 1087 . 2 1 1 A 89 89 ARG C C 81 177.596 178.705 -1.109 1
1 1088 . 2 1 1 A 89 89 ARG CA C 81 61.042 59.609 1.433 1
1 1089 . 2 1 1 A 89 89 ARG CB C 81 29.630 29.917 -0.287 1
1 1090 . 2 1 1 A 89 89 ARG N N 81 119.080 120.659 -1.579 1
1 1091 . 2 1 1 A 90 90 GLN H H 82 8.063 8.140 -0.077 1
1 1092 . 2 1 1 A 90 90 GLN HA H 82 4.039 4.049 -0.010 1
1 1099 . 2 1 1 A 90 90 GLN C C 82 177.419 178.288 -0.869 1
1 1100 . 2 1 1 A 90 90 GLN CA C 82 59.069 59.130 -0.061 1
1 1101 . 2 1 1 A 90 90 GLN CB C 82 27.786 28.200 -0.414 1
1 1103 . 2 1 1 A 90 90 GLN N N 82 118.390 118.561 -0.171 1
1 1105 . 2 1 1 A 91 91 ARG H H 83 7.700 7.670 0.030 1
1 1106 . 2 1 1 A 91 91 ARG HA H 83 3.961 3.981 -0.020 1
1 1114 . 2 1 1 A 91 91 ARG C C 83 180.016 178.989 1.027 1
1 1115 . 2 1 1 A 91 91 ARG CA C 83 59.750 59.463 0.287 1
1 1116 . 2 1 1 A 91 91 ARG CB C 83 30.401 29.709 0.692 1
1 1119 . 2 1 1 A 91 91 ARG N N 83 117.912 118.582 -0.670 1
1 1121 . 2 1 1 A 92 92 TRP H H 84 7.895 7.700 0.195 1
1 1122 . 2 1 1 A 92 92 TRP HA H 84 4.115 4.489 -0.374 1
1 1130 . 2 1 1 A 92 92 TRP C C 84 178.111 179.133 -1.022 1
1 1131 . 2 1 1 A 92 92 TRP CA C 84 61.633 59.899 1.734 1
1 1132 . 2 1 1 A 92 92 TRP CB C 84 29.032 29.565 -0.533 1
1 1137 . 2 1 1 A 92 92 TRP N N 84 119.237 121.078 -1.841 1
1 1139 . 2 1 1 A 93 93 LEU H H 85 8.988 8.882 0.106 1
1 1140 . 2 1 1 A 93 93 LEU HA H 85 3.978 4.008 -0.030 1
1 1150 . 2 1 1 A 93 93 LEU C C 85 180.925 179.652 1.273 1
1 1151 . 2 1 1 A 93 93 LEU CA C 85 58.716 57.821 0.895 1
1 1152 . 2 1 1 A 93 93 LEU CB C 85 41.506 41.173 0.333 1
1 1156 . 2 1 1 A 93 93 LEU N N 85 119.853 120.232 -0.379 1
1 1157 . 2 1 1 A 94 94 VAL H H 86 8.233 8.300 -0.067 1
1 1158 . 2 1 1 A 94 94 VAL HA H 86 3.695 3.521 0.174 1
1 1166 . 2 1 1 A 94 94 VAL C C 86 178.733 177.863 0.870 1
1 1167 . 2 1 1 A 94 94 VAL CA C 86 66.250 66.591 -0.341 1
1 1168 . 2 1 1 A 94 94 VAL CB C 86 31.886 31.512 0.374 1
1 1171 . 2 1 1 A 94 94 VAL N N 86 120.164 120.022 0.142 1
1 1172 . 2 1 1 A 95 95 ALA H H 87 7.345 7.675 -0.330 1
1 1173 . 2 1 1 A 95 95 ALA HA H 87 4.113 4.015 0.098 1
1 1177 . 2 1 1 A 95 95 ALA C C 87 180.055 180.394 -0.339 1
1 1178 . 2 1 1 A 95 95 ALA CA C 87 55.410 55.357 0.053 1
1 1179 . 2 1 1 A 95 95 ALA CB C 87 18.816 18.524 0.292 1
1 1180 . 2 1 1 A 95 95 ALA N N 87 123.818 121.587 2.231 1
1 1181 . 2 1 1 A 96 96 LEU H H 88 9.342 8.774 0.568 1
1 1182 . 2 1 1 A 96 96 LEU HA H 88 4.003 3.996 0.007 1
1 1192 . 2 1 1 A 96 96 LEU C C 88 179.349 179.275 0.074 1
1 1193 . 2 1 1 A 96 96 LEU CA C 88 57.786 58.121 -0.335 1
1 1194 . 2 1 1 A 96 96 LEU CB C 88 41.848 41.828 0.020 1
1 1198 . 2 1 1 A 96 96 LEU N N 88 117.857 118.417 -0.560 1
1 1199 . 2 1 1 A 97 97 GLY H H 89 8.252 8.399 -0.147 1
1 1200 . 2 1 1 A 97 97 GLY HA2 H 89 3.819 3.824 -0.005 1
1 1201 . 2 1 1 A 97 97 GLY HA3 H 89 3.948 3.825 0.123 1
1 1202 . 2 1 1 A 97 97 GLY C C 89 176.463 176.431 0.032 1
1 1203 . 2 1 1 A 97 97 GLY CA C 89 46.620 47.713 -1.093 1
1 1204 . 2 1 1 A 97 97 GLY N N 89 105.618 106.135 -0.517 1
1 1205 . 2 1 1 A 98 98 SER H H 90 8.068 8.163 -0.095 1
1 1206 . 2 1 1 A 98 98 SER HA H 90 4.377 4.161 0.216 1
1 1209 . 2 1 1 A 98 98 SER C C 90 176.144 177.254 -1.110 1
1 1210 . 2 1 1 A 98 98 SER CA C 90 60.842 61.485 -0.643 1
1 1211 . 2 1 1 A 98 98 SER CB C 90 63.116 62.561 0.555 1
1 1212 . 2 1 1 A 98 98 SER N N 90 117.602 116.692 0.910 1
1 1213 . 2 1 1 A 99 99 SER H H 91 8.036 8.244 -0.208 1
1 1214 . 2 1 1 A 99 99 SER HA H 91 4.324 4.251 0.073 1
1 1217 . 2 1 1 A 99 99 SER C C 91 175.818 175.942 -0.124 1
1 1218 . 2 1 1 A 99 99 SER CA C 91 60.720 61.587 -0.867 1
1 1219 . 2 1 1 A 99 99 SER CB C 91 63.831 62.846 0.985 1
1 1220 . 2 1 1 A 99 99 SER N N 91 116.877 117.543 -0.666 1
1 1221 . 2 1 1 A 100 100 LYS H H 92 7.838 7.680 0.158 1
1 1222 . 2 1 1 A 100 100 LYS HA H 92 4.068 4.020 0.048 1
1 1231 . 2 1 1 A 100 100 LYS C C 92 177.235 177.935 -0.700 1
1 1232 . 2 1 1 A 100 100 LYS CA C 92 58.121 58.817 -0.696 1
1 1233 . 2 1 1 A 100 100 LYS CB C 92 32.263 32.037 0.226 1
1 1237 . 2 1 1 A 100 100 LYS N N 92 119.456 121.384 -1.928 1
1 1238 . 2 1 1 A 101 101 ALA H H 93 7.924 7.624 0.300 1
1 1239 . 2 1 1 A 101 101 ALA HA H 93 4.321 4.314 0.007 1
1 1243 . 2 1 1 A 101 101 ALA C C 93 178.323 177.899 0.424 1
1 1244 . 2 1 1 A 101 101 ALA CA C 93 53.435 52.809 0.626 1
1 1245 . 2 1 1 A 101 101 ALA CB C 93 18.969 18.562 0.407 1
1 1246 . 2 1 1 A 101 101 ALA N N 93 122.054 119.867 2.187 1
1 1247 . 2 1 1 A 102 102 SER H H 94 8.061 8.308 -0.247 1
1 1248 . 2 1 1 A 102 102 SER HA H 94 4.451 4.086 0.365 1
1 1251 . 2 1 1 A 102 102 SER C C 94 174.773 173.325 1.448 1
1 1252 . 2 1 1 A 102 102 SER CA C 94 59.086 59.248 -0.162 1
1 1253 . 2 1 1 A 102 102 SER CB C 94 63.766 61.212 2.554 1
1 1254 . 2 1 1 A 102 102 SER N N 94 114.102 115.246 -1.144 1
1 1255 . 2 1 1 A 103 103 LEU H H 95 8.053 7.932 0.121 1
1 1256 . 2 1 1 A 103 103 LEU HA H 95 4.507 4.337 0.170 1
1 1266 . 2 1 1 A 103 103 LEU C C 95 177.589 176.177 1.412 1
1 1267 . 2 1 1 A 103 103 LEU CA C 95 55.398 54.709 0.689 1
1 1268 . 2 1 1 A 103 103 LEU CB C 95 42.435 43.544 -1.109 1
1 1272 . 2 1 1 A 103 103 LEU N N 95 123.264 121.155 2.109 1
1 1273 . 2 1 1 A 104 104 THR H H 96 8.045 8.593 -0.548 1
1 1274 . 2 1 1 A 104 104 THR HA H 96 4.383 4.435 -0.052 1
1 1279 . 2 1 1 A 104 104 THR C C 96 174.128 173.806 0.322 1
1 1280 . 2 1 1 A 104 104 THR CA C 96 61.982 61.625 0.357 1
1 1281 . 2 1 1 A 104 104 THR CB C 96 69.938 70.996 -1.058 1
1 1283 . 2 1 1 A 104 104 THR N N 96 113.833 115.110 -1.277 1
1 1284 . 2 1 1 A 105 105 ASP H H 97 8.346 8.588 -0.242 1
1 1285 . 2 1 1 A 105 105 ASP HA H 97 4.740 4.572 0.168 1
1 1288 . 2 1 1 A 105 105 ASP C C 97 176.310 176.958 -0.648 1
1 1289 . 2 1 1 A 105 105 ASP CA C 97 54.300 54.251 0.049 1
1 1290 . 2 1 1 A 105 105 ASP CB C 97 41.174 41.966 -0.792 1
1 1291 . 2 1 1 A 105 105 ASP N N 97 123.107 120.780 2.327 1
1 1292 . 2 1 1 A 106 106 THR H H 98 8.147 8.785 -0.638 1
1 1293 . 2 1 1 A 106 106 THR HA H 98 4.355 4.087 0.268 1
1 1298 . 2 1 1 A 106 106 THR C C 98 174.523 173.675 0.848 1
1 1299 . 2 1 1 A 106 106 THR CA C 98 61.937 63.028 -1.091 1
1 1300 . 2 1 1 A 106 106 THR CB C 98 69.656 66.552 3.104 1
1 1302 . 2 1 1 A 106 106 THR N N 98 114.857 116.218 -1.361 1
1 1303 . 2 1 1 A 107 107 ARG H H 99 8.385 8.096 0.289 1
1 1304 . 2 1 1 A 107 107 ARG HA H 99 4.442 4.640 -0.198 1
1 1312 . 2 1 1 A 107 107 ARG C C 99 175.764 175.437 0.327 1
1 1313 . 2 1 1 A 107 107 ARG CA C 99 56.311 55.373 0.938 1
1 1314 . 2 1 1 A 107 107 ARG CB C 99 30.745 30.559 0.186 1
1 1317 . 2 1 1 A 107 107 ARG N N 99 123.999 121.414 2.585 1
1 1 . 3 1 1 A 2 2 PRO HA H -6 4.460 4.541 -0.081 1
1 8 . 3 1 1 A 2 2 PRO C C -6 176.875 175.809 1.066 1
1 9 . 3 1 1 A 2 2 PRO CA C -6 63.159 62.861 0.298 1
1 10 . 3 1 1 A 2 2 PRO CB C -6 32.292 31.945 0.347 1
1 13 . 3 1 1 A 3 3 LEU H H -5 8.483 8.426 0.057 1
1 14 . 3 1 1 A 3 3 LEU HA H -5 4.334 4.571 -0.237 1
1 24 . 3 1 1 A 3 3 LEU C C -5 177.797 176.949 0.848 1
1 25 . 3 1 1 A 3 3 LEU CA C -5 55.474 54.347 1.127 1
1 26 . 3 1 1 A 3 3 LEU CB C -5 42.239 42.704 -0.465 1
1 30 . 3 1 1 A 3 3 LEU N N -5 122.315 123.053 -0.738 1
1 31 . 3 1 1 A 4 4 GLY H H -4 8.393 8.858 -0.465 1
1 32 . 3 1 1 A 4 4 GLY HA2 H -4 3.978 3.862 0.116 1
1 33 . 3 1 1 A 4 4 GLY HA3 H -4 3.978 3.864 0.114 1
1 34 . 3 1 1 A 4 4 GLY C C -4 173.730 174.439 -0.709 1
1 35 . 3 1 1 A 4 4 GLY CA C -4 45.158 47.345 -2.187 1
1 36 . 3 1 1 A 4 4 GLY N N -4 109.911 116.251 -6.340 1
1 37 . 3 1 1 A 5 5 SER H H -3 8.162 8.275 -0.113 1
1 38 . 3 1 1 A 5 5 SER HA H -3 4.764 4.791 -0.027 1
1 41 . 3 1 1 A 5 5 SER CA C -3 56.323 59.289 -2.966 1
1 42 . 3 1 1 A 5 5 SER CB C -3 63.515 65.560 -2.045 1
1 43 . 3 1 1 A 5 5 SER N N -3 116.873 119.929 -3.056 1
1 44 . 3 1 1 A 6 6 PRO HA H -2 4.399 4.508 -0.109 1
1 47 . 3 1 1 A 6 6 PRO C C -2 176.587 175.866 0.721 1
1 48 . 3 1 1 A 6 6 PRO CA C -2 63.552 62.535 1.017 1
1 49 . 3 1 1 A 6 6 PRO CB C -2 31.997 30.003 1.994 1
1 50 . 3 1 1 A 7 7 GLU H H -1 8.364 8.365 -0.001 1
1 51 . 3 1 1 A 7 7 GLU HA H -1 4.285 4.604 -0.319 1
1 56 . 3 1 1 A 7 7 GLU C C -1 174.954 175.188 -0.234 1
1 57 . 3 1 1 A 7 7 GLU CA C -1 56.486 55.775 0.711 1
1 58 . 3 1 1 A 7 7 GLU CB C -1 29.924 28.576 1.348 1
1 60 . 3 1 1 A 7 7 GLU N N -1 119.665 123.760 -4.095 1
1 61 . 3 1 1 A 8 8 PHE H H 0 7.872 8.729 -0.857 1
1 62 . 3 1 1 A 8 8 PHE HA H 0 5.204 5.988 -0.784 1
1 67 . 3 1 1 A 8 8 PHE C C 0 174.670 173.853 0.817 1
1 68 . 3 1 1 A 8 8 PHE CA C 0 56.861 56.091 0.770 1
1 69 . 3 1 1 A 8 8 PHE CB C 0 41.874 42.193 -0.319 1
1 72 . 3 1 1 A 8 8 PHE N N 0 122.497 126.240 -3.743 1
1 73 . 3 1 1 A 9 9 MET H H 1 7.833 8.499 -0.666 1
1 74 . 3 1 1 A 9 9 MET HA H 1 4.095 4.645 -0.550 1
1 82 . 3 1 1 A 9 9 MET C C 1 171.191 173.681 -2.490 1
1 83 . 3 1 1 A 9 9 MET CA C 1 54.613 53.901 0.712 1
1 84 . 3 1 1 A 9 9 MET CB C 1 34.867 35.477 -0.610 1
1 87 . 3 1 1 A 9 9 MET N N 1 127.163 126.772 0.391 1
1 88 . 3 1 1 A 10 10 GLU H H 2 7.698 8.569 -0.871 1
1 89 . 3 1 1 A 10 10 GLU HA H 2 5.603 5.048 0.555 1
1 94 . 3 1 1 A 10 10 GLU C C 2 174.743 174.586 0.157 1
1 95 . 3 1 1 A 10 10 GLU CA C 2 53.345 54.119 -0.774 1
1 96 . 3 1 1 A 10 10 GLU CB C 2 32.408 33.721 -1.313 1
1 98 . 3 1 1 A 10 10 GLU N N 2 118.654 121.524 -2.870 1
1 99 . 3 1 1 A 11 11 GLY H H 3 7.994 7.281 0.713 1
1 100 . 3 1 1 A 11 11 GLY HA2 H 3 3.115 3.680 -0.565 1
1 101 . 3 1 1 A 11 11 GLY HA3 H 3 4.377 4.186 0.191 1
1 102 . 3 1 1 A 11 11 GLY C C 3 170.878 171.647 -0.769 1
1 103 . 3 1 1 A 11 11 GLY CA C 3 45.086 44.738 0.348 1
1 104 . 3 1 1 A 11 11 GLY N N 3 108.296 106.272 2.024 1
1 105 . 3 1 1 A 12 12 VAL H H 4 8.463 8.590 -0.127 1
1 106 . 3 1 1 A 12 12 VAL HA H 4 4.969 5.521 -0.552 1
1 114 . 3 1 1 A 12 12 VAL C C 4 177.805 174.207 3.598 1
1 115 . 3 1 1 A 12 12 VAL CA C 4 62.373 59.245 3.128 1
1 116 . 3 1 1 A 12 12 VAL CB C 4 33.152 35.156 -2.004 1
1 119 . 3 1 1 A 12 12 VAL N N 4 119.624 115.879 3.745 1
1 120 . 3 1 1 A 13 13 LEU H H 5 8.647 9.013 -0.366 1
1 121 . 3 1 1 A 13 13 LEU HA H 5 4.382 5.069 -0.687 1
1 131 . 3 1 1 A 13 13 LEU C C 5 175.407 176.084 -0.677 1
1 132 . 3 1 1 A 13 13 LEU CA C 5 54.139 53.692 0.447 1
1 133 . 3 1 1 A 13 13 LEU CB C 5 46.374 45.483 0.891 1
1 137 . 3 1 1 A 13 13 LEU N N 5 125.806 123.243 2.563 1
1 138 . 3 1 1 A 14 14 TYR H H 6 9.007 9.101 -0.094 1
1 139 . 3 1 1 A 14 14 TYR HA H 6 5.026 5.230 -0.204 1
1 144 . 3 1 1 A 14 14 TYR C C 6 175.047 175.301 -0.254 1
1 145 . 3 1 1 A 14 14 TYR CA C 6 57.484 58.803 -1.319 1
1 146 . 3 1 1 A 14 14 TYR CB C 6 39.400 37.964 1.436 1
1 147 . 3 1 1 A 14 14 TYR N N 6 118.975 122.233 -3.258 1
1 148 . 3 1 1 A 15 15 LYS H H 7 9.549 8.987 0.562 1
1 149 . 3 1 1 A 15 15 LYS HA H 7 5.467 5.143 0.324 1
1 158 . 3 1 1 A 15 15 LYS C C 7 175.772 176.453 -0.681 1
1 159 . 3 1 1 A 15 15 LYS CA C 7 54.136 55.036 -0.900 1
1 160 . 3 1 1 A 15 15 LYS CB C 7 37.043 34.137 2.906 1
1 164 . 3 1 1 A 15 15 LYS N N 7 123.867 126.550 -2.683 1
1 165 . 3 1 1 A 16 16 TRP H H 8 8.355 9.135 -0.780 1
1 166 . 3 1 1 A 16 16 TRP HA H 8 3.893 4.852 -0.959 1
1 175 . 3 1 1 A 16 16 TRP C C 8 176.038 176.355 -0.317 1
1 176 . 3 1 1 A 16 16 TRP CA C 8 57.880 58.252 -0.372 1
1 177 . 3 1 1 A 16 16 TRP CB C 8 29.347 30.435 -1.088 1
1 183 . 3 1 1 A 16 16 TRP N N 8 129.111 129.310 -0.199 1
1 185 . 3 1 1 A 17 17 THR H H 9 6.754 7.993 -1.239 1
1 186 . 3 1 1 A 17 17 THR HA H 9 4.127 4.426 -0.299 1
1 191 . 3 1 1 A 17 17 THR C C 9 172.153 174.314 -2.161 1
1 192 . 3 1 1 A 17 17 THR CA C 9 61.413 62.117 -0.704 1
1 193 . 3 1 1 A 17 17 THR CB C 9 69.317 69.648 -0.331 1
1 195 . 3 1 1 A 17 17 THR N N 9 121.030 118.298 2.732 1
1 196 . 3 1 1 A 18 18 ASN H H 10 7.418 7.038 0.380 1
1 197 . 3 1 1 A 18 18 ASN HA H 10 4.051 4.789 -0.738 1
1 202 . 3 1 1 A 18 18 ASN C C 10 174.308 174.225 0.083 1
1 203 . 3 1 1 A 18 18 ASN CA C 10 52.089 52.014 0.075 1
1 204 . 3 1 1 A 18 18 ASN CB C 10 39.339 41.607 -2.268 1
1 205 . 3 1 1 A 18 18 ASN N N 10 115.655 117.360 -1.705 1
1 207 . 3 1 1 A 19 19 TYR H H 11 8.348 8.460 -0.112 1
1 208 . 3 1 1 A 19 19 TYR HA H 11 4.284 4.362 -0.078 1
1 215 . 3 1 1 A 19 19 TYR C C 11 175.974 177.374 -1.400 1
1 216 . 3 1 1 A 19 19 TYR CA C 11 60.774 59.872 0.902 1
1 217 . 3 1 1 A 19 19 TYR CB C 11 37.815 37.935 -0.120 1
1 222 . 3 1 1 A 19 19 TYR N N 11 115.508 123.924 -8.416 1
1 223 . 3 1 1 A 20 20 LEU H H 12 7.827 7.821 0.006 1
1 224 . 3 1 1 A 20 20 LEU HA H 12 4.091 4.119 -0.028 1
1 234 . 3 1 1 A 20 20 LEU C C 12 178.711 178.941 -0.230 1
1 235 . 3 1 1 A 20 20 LEU CA C 12 56.966 57.787 -0.821 1
1 236 . 3 1 1 A 20 20 LEU CB C 12 41.922 41.990 -0.068 1
1 240 . 3 1 1 A 20 20 LEU N N 12 120.867 122.419 -1.552 1
1 241 . 3 1 1 A 21 21 THR H H 13 7.651 7.688 -0.037 1
1 242 . 3 1 1 A 21 21 THR HA H 13 4.162 4.281 -0.119 1
1 247 . 3 1 1 A 21 21 THR C C 13 175.842 175.169 0.673 1
1 248 . 3 1 1 A 21 21 THR CA C 13 62.159 62.411 -0.252 1
1 249 . 3 1 1 A 21 21 THR CB C 13 69.191 70.317 -1.126 1
1 251 . 3 1 1 A 21 21 THR N N 13 108.304 107.323 0.981 1
1 252 . 3 1 1 A 22 22 GLY H H 14 7.679 8.150 -0.471 1
1 253 . 3 1 1 A 22 22 GLY HA2 H 14 2.802 3.579 -0.777 1
1 254 . 3 1 1 A 22 22 GLY HA3 H 14 3.715 3.890 -0.175 1
1 255 . 3 1 1 A 22 22 GLY C C 14 175.108 173.225 1.883 1
1 256 . 3 1 1 A 22 22 GLY CA C 14 46.131 46.601 -0.470 1
1 257 . 3 1 1 A 22 22 GLY N N 14 109.901 110.682 -0.781 1
1 258 . 3 1 1 A 23 23 TRP H H 15 8.817 8.087 0.730 1
1 259 . 3 1 1 A 23 23 TRP HA H 15 4.724 5.496 -0.772 1
1 268 . 3 1 1 A 23 23 TRP C C 15 176.569 174.232 2.337 1
1 269 . 3 1 1 A 23 23 TRP CA C 15 56.897 55.119 1.778 1
1 270 . 3 1 1 A 23 23 TRP CB C 15 29.825 33.377 -3.552 1
1 275 . 3 1 1 A 23 23 TRP N N 15 126.927 122.402 4.525 1
1 277 . 3 1 1 A 24 24 GLN H H 16 8.931 8.856 0.075 1
1 278 . 3 1 1 A 24 24 GLN HA H 16 5.186 4.312 0.874 1
1 285 . 3 1 1 A 24 24 GLN CA C 16 52.369 51.773 0.596 1
1 286 . 3 1 1 A 24 24 GLN CB C 16 31.536 30.622 0.914 1
1 288 . 3 1 1 A 24 24 GLN N N 16 122.710 119.890 2.820 1
1 290 . 3 1 1 A 25 25 PRO HA H 17 4.206 4.969 -0.763 1
1 297 . 3 1 1 A 25 25 PRO C C 17 176.918 176.069 0.849 1
1 298 . 3 1 1 A 25 25 PRO CA C 17 62.894 63.084 -0.190 1
1 299 . 3 1 1 A 25 25 PRO CB C 17 31.444 31.724 -0.280 1
1 302 . 3 1 1 A 26 26 ARG H H 18 9.041 8.722 0.319 1
1 303 . 3 1 1 A 26 26 ARG HA H 18 4.857 5.002 -0.145 1
1 310 . 3 1 1 A 26 26 ARG C C 18 173.102 174.573 -1.471 1
1 311 . 3 1 1 A 26 26 ARG CA C 18 53.273 54.723 -1.450 1
1 312 . 3 1 1 A 26 26 ARG CB C 18 34.254 33.482 0.772 1
1 315 . 3 1 1 A 26 26 ARG N N 18 123.602 123.782 -0.180 1
1 316 . 3 1 1 A 27 27 TRP H H 19 8.375 8.346 0.029 1
1 317 . 3 1 1 A 27 27 TRP HA H 19 5.077 5.286 -0.209 1
1 326 . 3 1 1 A 27 27 TRP C C 19 174.728 174.860 -0.132 1
1 327 . 3 1 1 A 27 27 TRP CA C 19 56.157 56.659 -0.502 1
1 328 . 3 1 1 A 27 27 TRP CB C 19 31.116 31.538 -0.422 1
1 334 . 3 1 1 A 27 27 TRP N N 19 121.669 125.060 -3.391 1
1 336 . 3 1 1 A 28 28 PHE H H 20 9.016 9.282 -0.266 1
1 337 . 3 1 1 A 28 28 PHE HA H 20 5.385 5.426 -0.041 1
1 345 . 3 1 1 A 28 28 PHE C C 20 174.685 174.426 0.259 1
1 346 . 3 1 1 A 28 28 PHE CA C 20 56.699 56.370 0.329 1
1 347 . 3 1 1 A 28 28 PHE CB C 20 43.155 42.955 0.200 1
1 353 . 3 1 1 A 28 28 PHE N N 20 128.520 126.057 2.463 1
1 354 . 3 1 1 A 29 29 VAL H H 21 9.058 9.442 -0.384 1
1 355 . 3 1 1 A 29 29 VAL HA H 21 4.681 5.164 -0.483 1
1 363 . 3 1 1 A 29 29 VAL C C 21 174.804 173.874 0.930 1
1 364 . 3 1 1 A 29 29 VAL CA C 21 61.719 59.614 2.105 1
1 365 . 3 1 1 A 29 29 VAL CB C 21 36.416 35.661 0.755 1
1 368 . 3 1 1 A 29 29 VAL N N 21 117.562 116.374 1.188 1
1 369 . 3 1 1 A 30 30 LEU H H 22 9.543 9.190 0.353 1
1 370 . 3 1 1 A 30 30 LEU HA H 22 5.311 5.223 0.088 1
1 380 . 3 1 1 A 30 30 LEU C C 22 173.506 174.947 -1.441 1
1 381 . 3 1 1 A 30 30 LEU CA C 22 53.213 53.977 -0.764 1
1 382 . 3 1 1 A 30 30 LEU CB C 22 44.939 44.069 0.870 1
1 386 . 3 1 1 A 30 30 LEU N N 22 131.939 127.385 4.554 1
1 387 . 3 1 1 A 31 31 ASP H H 23 8.513 9.449 -0.936 1
1 388 . 3 1 1 A 31 31 ASP HA H 23 5.151 5.298 -0.147 1
1 391 . 3 1 1 A 31 31 ASP C C 23 176.940 175.229 1.711 1
1 392 . 3 1 1 A 31 31 ASP CA C 23 53.671 53.361 0.310 1
1 393 . 3 1 1 A 31 31 ASP CB C 23 43.770 43.050 0.720 1
1 394 . 3 1 1 A 31 31 ASP N N 23 121.978 125.776 -3.798 1
1 395 . 3 1 1 A 32 32 ASN H H 24 9.280 9.520 -0.240 1
1 396 . 3 1 1 A 32 32 ASN HA H 24 4.421 4.525 -0.104 1
1 401 . 3 1 1 A 32 32 ASN C C 24 175.044 175.434 -0.390 1
1 402 . 3 1 1 A 32 32 ASN CA C 24 54.362 54.498 -0.136 1
1 403 . 3 1 1 A 32 32 ASN CB C 24 37.804 37.418 0.386 1
1 404 . 3 1 1 A 32 32 ASN N N 24 125.653 126.027 -0.374 1
1 406 . 3 1 1 A 33 33 GLY H H 25 8.997 8.458 0.539 1
1 407 . 3 1 1 A 33 33 GLY HA2 H 25 3.581 3.828 -0.247 1
1 408 . 3 1 1 A 33 33 GLY HA3 H 25 4.154 3.828 0.326 1
1 409 . 3 1 1 A 33 33 GLY C C 25 173.215 173.624 -0.409 1
1 410 . 3 1 1 A 33 33 GLY CA C 25 45.930 45.444 0.486 1
1 411 . 3 1 1 A 33 33 GLY N N 25 102.623 103.611 -0.988 1
1 412 . 3 1 1 A 34 34 ILE H H 26 7.955 7.966 -0.011 1
1 413 . 3 1 1 A 34 34 ILE HA H 26 4.771 4.396 0.375 1
1 423 . 3 1 1 A 34 34 ILE C C 26 174.753 173.898 0.855 1
1 424 . 3 1 1 A 34 34 ILE CA C 26 59.201 60.342 -1.141 1
1 425 . 3 1 1 A 34 34 ILE CB C 26 39.393 40.594 -1.201 1
1 429 . 3 1 1 A 34 34 ILE N N 26 122.350 123.125 -0.775 1
1 430 . 3 1 1 A 35 35 LEU H H 27 9.274 9.470 -0.196 1
1 431 . 3 1 1 A 35 35 LEU HA H 27 5.441 5.351 0.090 1
1 441 . 3 1 1 A 35 35 LEU C C 27 175.131 175.520 -0.389 1
1 442 . 3 1 1 A 35 35 LEU CA C 27 53.160 53.580 -0.420 1
1 443 . 3 1 1 A 35 35 LEU CB C 27 44.532 44.613 -0.081 1
1 447 . 3 1 1 A 35 35 LEU N N 27 132.013 131.032 0.981 1
1 448 . 3 1 1 A 36 36 SER H H 28 9.668 9.216 0.452 1
1 449 . 3 1 1 A 36 36 SER HA H 28 5.379 5.493 -0.114 1
1 452 . 3 1 1 A 36 36 SER C C 28 171.968 173.480 -1.512 1
1 453 . 3 1 1 A 36 36 SER CA C 28 57.345 55.446 1.899 1
1 454 . 3 1 1 A 36 36 SER CB C 28 66.044 66.135 -0.091 1
1 455 . 3 1 1 A 36 36 SER N N 28 123.682 121.189 2.493 1
1 456 . 3 1 1 A 37 37 TYR H H 29 7.452 7.691 -0.239 1
1 457 . 3 1 1 A 37 37 TYR HA H 29 5.658 5.781 -0.123 1
1 464 . 3 1 1 A 37 37 TYR C C 29 172.731 173.161 -0.430 1
1 465 . 3 1 1 A 37 37 TYR CA C 29 54.632 54.777 -0.145 1
1 466 . 3 1 1 A 37 37 TYR CB C 29 39.599 41.829 -2.230 1
1 471 . 3 1 1 A 37 37 TYR N N 29 115.554 118.609 -3.055 1
1 472 . 3 1 1 A 38 38 TYR H H 30 9.116 9.205 -0.089 1
1 473 . 3 1 1 A 38 38 TYR HA H 30 4.626 4.964 -0.338 1
1 480 . 3 1 1 A 38 38 TYR C C 30 175.771 175.346 0.425 1
1 481 . 3 1 1 A 38 38 TYR CA C 30 56.194 56.893 -0.699 1
1 482 . 3 1 1 A 38 38 TYR CB C 30 43.253 42.789 0.464 1
1 487 . 3 1 1 A 38 38 TYR N N 30 117.937 118.649 -0.712 1
1 488 . 3 1 1 A 39 39 ASP H H 31 9.474 9.606 -0.132 1
1 489 . 3 1 1 A 39 39 ASP HA H 31 4.624 4.559 0.065 1
1 492 . 3 1 1 A 39 39 ASP C C 31 176.264 175.407 0.857 1
1 493 . 3 1 1 A 39 39 ASP CA C 31 58.144 56.567 1.577 1
1 494 . 3 1 1 A 39 39 ASP CB C 31 40.399 41.556 -1.157 1
1 495 . 3 1 1 A 39 39 ASP N N 31 121.988 122.372 -0.384 1
1 496 . 3 1 1 A 40 40 SER H H 32 7.511 7.922 -0.411 1
1 497 . 3 1 1 A 40 40 SER HA H 32 4.567 4.758 -0.191 1
1 500 . 3 1 1 A 40 40 SER C C 32 173.752 174.028 -0.276 1
1 501 . 3 1 1 A 40 40 SER CA C 32 57.211 57.528 -0.317 1
1 502 . 3 1 1 A 40 40 SER CB C 32 65.547 66.994 -1.447 1
1 503 . 3 1 1 A 40 40 SER N N 32 107.441 110.951 -3.510 1
1 504 . 3 1 1 A 41 41 GLN H H 33 8.828 8.463 0.365 1
1 505 . 3 1 1 A 41 41 GLN HA H 33 2.511 2.680 -0.169 1
1 512 . 3 1 1 A 41 41 GLN C C 33 177.001 176.255 0.746 1
1 513 . 3 1 1 A 41 41 GLN CA C 33 58.261 58.551 -0.290 1
1 514 . 3 1 1 A 41 41 GLN CB C 33 27.168 27.831 -0.663 1
1 516 . 3 1 1 A 41 41 GLN N N 33 123.170 122.492 0.678 1
1 518 . 3 1 1 A 42 42 ASP H H 34 7.774 8.213 -0.439 1
1 519 . 3 1 1 A 42 42 ASP HA H 34 4.289 4.201 0.088 1
1 522 . 3 1 1 A 42 42 ASP C C 34 176.567 177.844 -1.277 1
1 523 . 3 1 1 A 42 42 ASP CA C 34 55.710 57.248 -1.538 1
1 524 . 3 1 1 A 42 42 ASP CB C 34 40.459 41.368 -0.909 1
1 525 . 3 1 1 A 42 42 ASP N N 34 116.558 119.417 -2.859 1
1 526 . 3 1 1 A 43 43 ASP H H 35 7.388 7.945 -0.557 1
1 527 . 3 1 1 A 43 43 ASP HA H 35 4.755 4.404 0.351 1
1 530 . 3 1 1 A 43 43 ASP C C 35 177.129 178.302 -1.173 1
1 531 . 3 1 1 A 43 43 ASP CA C 35 54.563 56.027 -1.464 1
1 532 . 3 1 1 A 43 43 ASP CB C 35 42.434 40.999 1.435 1
1 533 . 3 1 1 A 43 43 ASP N N 35 117.173 119.453 -2.280 1
1 534 . 3 1 1 A 44 44 VAL H H 36 7.063 7.357 -0.294 1
1 535 . 3 1 1 A 44 44 VAL HA H 36 3.372 2.206 1.166 1
1 543 . 3 1 1 A 44 44 VAL C C 36 178.169 177.558 0.611 1
1 544 . 3 1 1 A 44 44 VAL CA C 36 65.325 65.635 -0.310 1
1 545 . 3 1 1 A 44 44 VAL CB C 36 31.179 30.835 0.344 1
1 548 . 3 1 1 A 44 44 VAL N N 36 121.695 119.122 2.573 1
1 549 . 3 1 1 A 45 45 CYS H H 37 8.133 7.816 0.317 1
1 550 . 3 1 1 A 45 45 CYS HA H 37 4.425 4.173 0.252 1
1 553 . 3 1 1 A 45 45 CYS C C 37 175.083 176.605 -1.522 1
1 554 . 3 1 1 A 45 45 CYS CA C 37 59.202 62.118 -2.916 1
1 555 . 3 1 1 A 45 45 CYS CB C 37 27.101 27.033 0.068 1
1 556 . 3 1 1 A 45 45 CYS N N 37 115.191 118.942 -3.751 1
1 557 . 3 1 1 A 46 46 LYS H H 38 7.844 7.471 0.373 1
1 558 . 3 1 1 A 46 46 LYS HA H 38 4.428 4.231 0.197 1
1 567 . 3 1 1 A 46 46 LYS C C 38 177.049 177.361 -0.312 1
1 568 . 3 1 1 A 46 46 LYS CA C 38 56.787 56.370 0.417 1
1 569 . 3 1 1 A 46 46 LYS CB C 38 33.119 32.704 0.415 1
1 573 . 3 1 1 A 46 46 LYS N N 38 121.496 117.725 3.771 1
1 574 . 3 1 1 A 47 47 GLY H H 39 7.759 7.638 0.121 1
1 575 . 3 1 1 A 47 47 GLY HA2 H 39 4.022 4.107 -0.085 1
1 576 . 3 1 1 A 47 47 GLY HA3 H 39 4.542 4.133 0.409 1
1 577 . 3 1 1 A 47 47 GLY C C 39 173.037 173.869 -0.832 1
1 578 . 3 1 1 A 47 47 GLY CA C 39 44.261 44.555 -0.294 1
1 579 . 3 1 1 A 47 47 GLY N N 39 107.270 107.262 0.008 1
1 580 . 3 1 1 A 48 48 SER H H 40 8.478 8.638 -0.160 1
1 581 . 3 1 1 A 48 48 SER HA H 40 3.783 4.371 -0.588 1
1 584 . 3 1 1 A 48 48 SER C C 40 175.221 174.150 1.071 1
1 585 . 3 1 1 A 48 48 SER CA C 40 57.947 59.541 -1.594 1
1 586 . 3 1 1 A 48 48 SER CB C 40 63.811 63.687 0.124 1
1 587 . 3 1 1 A 48 48 SER N N 40 116.121 117.988 -1.867 1
1 588 . 3 1 1 A 49 49 LYS H H 41 8.394 8.890 -0.496 1
1 589 . 3 1 1 A 49 49 LYS HA H 41 4.188 4.642 -0.454 1
1 598 . 3 1 1 A 49 49 LYS C C 41 176.470 176.692 -0.222 1
1 599 . 3 1 1 A 49 49 LYS CA C 41 55.331 56.141 -0.810 1
1 600 . 3 1 1 A 49 49 LYS CB C 41 32.293 34.281 -1.988 1
1 604 . 3 1 1 A 49 49 LYS N N 41 120.990 124.921 -3.931 1
1 605 . 3 1 1 A 50 50 GLY H H 42 6.747 7.146 -0.399 1
1 606 . 3 1 1 A 50 50 GLY HA2 H 42 3.531 3.835 -0.304 1
1 607 . 3 1 1 A 50 50 GLY HA3 H 42 3.884 3.948 -0.064 1
1 608 . 3 1 1 A 50 50 GLY C C 42 170.967 171.399 -0.432 1
1 609 . 3 1 1 A 50 50 GLY CA C 42 45.060 45.419 -0.359 1
1 610 . 3 1 1 A 50 50 GLY N N 42 106.048 104.562 1.486 1
1 611 . 3 1 1 A 51 51 SER H H 43 8.158 8.768 -0.610 1
1 612 . 3 1 1 A 51 51 SER HA H 43 5.343 5.187 0.156 1
1 615 . 3 1 1 A 51 51 SER C C 43 172.787 172.915 -0.128 1
1 616 . 3 1 1 A 51 51 SER CA C 43 57.639 57.189 0.450 1
1 617 . 3 1 1 A 51 51 SER CB C 43 65.897 66.507 -0.610 1
1 618 . 3 1 1 A 51 51 SER N N 43 113.080 118.730 -5.650 1
1 619 . 3 1 1 A 52 52 ILE H H 44 9.306 9.479 -0.173 1
1 620 . 3 1 1 A 52 52 ILE HA H 44 4.203 4.717 -0.514 1
1 630 . 3 1 1 A 52 52 ILE C C 44 174.340 174.759 -0.419 1
1 631 . 3 1 1 A 52 52 ILE CA C 44 60.326 60.370 -0.044 1
1 632 . 3 1 1 A 52 52 ILE CB C 44 42.302 39.510 2.792 1
1 636 . 3 1 1 A 52 52 ILE N N 44 123.385 122.914 0.471 1
1 637 . 3 1 1 A 53 53 LYS H H 45 8.495 8.689 -0.194 1
1 638 . 3 1 1 A 53 53 LYS HA H 45 4.444 4.599 -0.155 1
1 647 . 3 1 1 A 53 53 LYS C C 45 176.283 176.394 -0.111 1
1 648 . 3 1 1 A 53 53 LYS CA C 45 56.255 56.323 -0.068 1
1 649 . 3 1 1 A 53 53 LYS CB C 45 32.258 32.540 -0.282 1
1 653 . 3 1 1 A 53 53 LYS N N 45 127.498 128.904 -1.406 1
1 654 . 3 1 1 A 54 54 MET H H 46 8.190 8.357 -0.167 1
1 655 . 3 1 1 A 54 54 MET HA H 46 4.585 4.221 0.364 1
1 663 . 3 1 1 A 54 54 MET C C 46 178.779 177.966 0.813 1
1 664 . 3 1 1 A 54 54 MET CA C 46 55.549 58.408 -2.859 1
1 665 . 3 1 1 A 54 54 MET CB C 46 29.465 31.720 -2.255 1
1 668 . 3 1 1 A 54 54 MET N N 46 123.817 125.217 -1.400 1
1 669 . 3 1 1 A 55 55 ALA H H 47 8.860 7.726 1.134 1
1 670 . 3 1 1 A 55 55 ALA HA H 47 4.142 4.144 -0.002 1
1 674 . 3 1 1 A 55 55 ALA C C 47 178.752 177.790 0.962 1
1 675 . 3 1 1 A 55 55 ALA CA C 47 55.004 54.292 0.712 1
1 676 . 3 1 1 A 55 55 ALA CB C 47 19.312 18.407 0.905 1
1 677 . 3 1 1 A 55 55 ALA N N 47 119.194 120.718 -1.524 1
1 678 . 3 1 1 A 56 56 VAL H H 48 7.127 8.080 -0.953 1
1 679 . 3 1 1 A 56 56 VAL HA H 48 4.592 4.371 0.221 1
1 687 . 3 1 1 A 56 56 VAL C C 48 174.965 175.683 -0.718 1
1 688 . 3 1 1 A 56 56 VAL CA C 48 60.038 61.398 -1.360 1
1 689 . 3 1 1 A 56 56 VAL CB C 48 31.878 33.523 -1.645 1
1 692 . 3 1 1 A 56 56 VAL N N 48 105.989 116.698 -10.709 1
1 693 . 3 1 1 A 57 57 CYS H H 49 7.414 7.792 -0.378 1
1 694 . 3 1 1 A 57 57 CYS HA H 49 4.897 5.088 -0.191 1
1 697 . 3 1 1 A 57 57 CYS C C 49 173.836 172.955 0.881 1
1 698 . 3 1 1 A 57 57 CYS CA C 49 58.123 57.302 0.821 1
1 699 . 3 1 1 A 57 57 CYS CB C 49 30.078 30.910 -0.832 1
1 700 . 3 1 1 A 57 57 CYS N N 49 119.973 121.070 -1.097 1
1 701 . 3 1 1 A 58 58 GLU H H 50 8.852 9.046 -0.194 1
1 702 . 3 1 1 A 58 58 GLU HA H 50 4.674 4.731 -0.057 1
1 707 . 3 1 1 A 58 58 GLU C C 50 175.085 174.934 0.151 1
1 708 . 3 1 1 A 58 58 GLU CA C 50 54.809 55.960 -1.151 1
1 709 . 3 1 1 A 58 58 GLU CB C 50 31.856 30.752 1.104 1
1 711 . 3 1 1 A 58 58 GLU N N 50 124.719 125.688 -0.969 1
1 712 . 3 1 1 A 59 59 ILE H H 51 8.731 8.896 -0.165 1
1 713 . 3 1 1 A 59 59 ILE HA H 51 4.625 4.927 -0.302 1
1 723 . 3 1 1 A 59 59 ILE C C 51 175.513 174.206 1.307 1
1 724 . 3 1 1 A 59 59 ILE CA C 51 60.675 60.200 0.475 1
1 725 . 3 1 1 A 59 59 ILE CB C 51 39.717 39.958 -0.241 1
1 729 . 3 1 1 A 59 59 ILE N N 51 124.286 125.765 -1.479 1
1 730 . 3 1 1 A 60 60 LYS H H 52 9.212 9.249 -0.037 1
1 731 . 3 1 1 A 60 60 LYS HA H 52 4.829 4.613 0.216 1
1 740 . 3 1 1 A 60 60 LYS C C 52 175.594 175.418 0.176 1
1 741 . 3 1 1 A 60 60 LYS CA C 52 54.490 55.889 -1.399 1
1 742 . 3 1 1 A 60 60 LYS CB C 52 34.908 32.893 2.015 1
1 746 . 3 1 1 A 60 60 LYS N N 52 128.004 129.198 -1.194 1
1 747 . 3 1 1 A 61 61 VAL H H 53 8.776 8.702 0.074 1
1 748 . 3 1 1 A 61 61 VAL HA H 53 4.087 4.774 -0.687 1
1 756 . 3 1 1 A 61 61 VAL C C 53 175.262 174.695 0.567 1
1 757 . 3 1 1 A 61 61 VAL CA C 53 62.067 61.152 0.915 1
1 758 . 3 1 1 A 61 61 VAL CB C 53 33.296 34.012 -0.716 1
1 761 . 3 1 1 A 61 61 VAL N N 53 124.000 124.862 -0.862 1
1 762 . 3 1 1 A 62 62 HIS H H 54 7.677 8.971 -1.294 1
1 763 . 3 1 1 A 62 62 HIS HA H 54 4.456 4.998 -0.542 1
1 766 . 3 1 1 A 62 62 HIS C C 54 176.465 173.972 2.493 1
1 767 . 3 1 1 A 62 62 HIS CA C 54 57.986 54.343 3.643 1
1 768 . 3 1 1 A 62 62 HIS CB C 54 32.369 33.341 -0.972 1
1 769 . 3 1 1 A 62 62 HIS N N 54 127.177 124.668 2.509 1
1 770 . 3 1 1 A 63 63 SER H H 55 8.552 8.977 -0.425 1
1 771 . 3 1 1 A 63 63 SER HA H 55 4.251 5.012 -0.761 1
1 774 . 3 1 1 A 63 63 SER C C 55 174.509 174.147 0.362 1
1 775 . 3 1 1 A 63 63 SER CA C 55 60.312 57.371 2.941 1
1 776 . 3 1 1 A 63 63 SER CB C 55 63.609 63.900 -0.291 1
1 777 . 3 1 1 A 63 63 SER N N 55 120.508 116.517 3.991 1
1 778 . 3 1 1 A 64 64 ALA H H 56 8.807 8.459 0.348 1
1 779 . 3 1 1 A 64 64 ALA HA H 56 4.553 4.409 0.144 1
1 783 . 3 1 1 A 64 64 ALA C C 56 176.763 176.334 0.429 1
1 784 . 3 1 1 A 64 64 ALA CA C 56 53.183 53.293 -0.110 1
1 785 . 3 1 1 A 64 64 ALA CB C 56 20.619 19.687 0.932 1
1 786 . 3 1 1 A 64 64 ALA N N 56 124.728 125.585 -0.857 1
1 787 . 3 1 1 A 65 65 ASP H H 57 8.762 8.201 0.561 1
1 788 . 3 1 1 A 65 65 ASP HA H 57 4.689 4.640 0.049 1
1 791 . 3 1 1 A 65 65 ASP C C 57 176.322 176.272 0.050 1
1 792 . 3 1 1 A 65 65 ASP CA C 57 52.911 53.004 -0.093 1
1 793 . 3 1 1 A 65 65 ASP CB C 57 41.216 42.840 -1.624 1
1 794 . 3 1 1 A 65 65 ASP N N 57 120.574 117.698 2.876 1
1 795 . 3 1 1 A 66 66 ASN H H 58 8.457 8.649 -0.192 1
1 796 . 3 1 1 A 66 66 ASN HA H 58 4.580 4.609 -0.029 1
1 801 . 3 1 1 A 66 66 ASN C C 58 174.296 175.607 -1.311 1
1 802 . 3 1 1 A 66 66 ASN CA C 58 54.146 55.501 -1.355 1
1 803 . 3 1 1 A 66 66 ASN CB C 58 37.538 38.248 -0.710 1
1 804 . 3 1 1 A 66 66 ASN N N 58 122.233 120.369 1.864 1
1 806 . 3 1 1 A 67 67 THR H H 59 8.411 7.697 0.714 1
1 807 . 3 1 1 A 67 67 THR HA H 59 4.284 4.581 -0.297 1
1 812 . 3 1 1 A 67 67 THR C C 59 175.932 173.058 2.874 1
1 813 . 3 1 1 A 67 67 THR CA C 59 62.159 60.252 1.907 1
1 814 . 3 1 1 A 67 67 THR CB C 59 70.025 69.147 0.878 1
1 816 . 3 1 1 A 67 67 THR N N 59 104.777 109.027 -4.250 1
1 817 . 3 1 1 A 68 68 ARG H H 60 7.589 8.627 -1.038 1
1 818 . 3 1 1 A 68 68 ARG HA H 60 5.044 4.882 0.162 1
1 825 . 3 1 1 A 68 68 ARG C C 60 176.482 174.826 1.656 1
1 826 . 3 1 1 A 68 68 ARG CA C 60 56.516 54.626 1.890 1
1 827 . 3 1 1 A 68 68 ARG CB C 60 34.348 31.987 2.361 1
1 830 . 3 1 1 A 68 68 ARG N N 60 122.336 126.592 -4.256 1
1 831 . 3 1 1 A 69 69 MET H H 61 9.018 7.873 1.145 1
1 832 . 3 1 1 A 69 69 MET HA H 61 4.997 5.196 -0.199 1
1 840 . 3 1 1 A 69 69 MET C C 61 172.463 174.024 -1.561 1
1 841 . 3 1 1 A 69 69 MET CA C 61 55.330 54.355 0.975 1
1 842 . 3 1 1 A 69 69 MET CB C 61 37.234 36.886 0.348 1
1 845 . 3 1 1 A 69 69 MET N N 61 119.640 123.405 -3.765 1
1 846 . 3 1 1 A 70 70 GLU H H 62 8.996 9.122 -0.126 1
1 847 . 3 1 1 A 70 70 GLU HA H 62 5.365 5.058 0.307 1
1 852 . 3 1 1 A 70 70 GLU C C 62 173.523 174.828 -1.305 1
1 853 . 3 1 1 A 70 70 GLU CA C 62 54.326 54.752 -0.426 1
1 854 . 3 1 1 A 70 70 GLU CB C 62 33.915 33.425 0.490 1
1 856 . 3 1 1 A 70 70 GLU N N 62 122.200 124.861 -2.661 1
1 857 . 3 1 1 A 71 71 LEU H H 63 8.763 9.609 -0.846 1
1 858 . 3 1 1 A 71 71 LEU HA H 63 5.222 5.367 -0.145 1
1 868 . 3 1 1 A 71 71 LEU C C 63 175.719 175.056 0.663 1
1 869 . 3 1 1 A 71 71 LEU CA C 63 53.222 53.694 -0.472 1
1 870 . 3 1 1 A 71 71 LEU CB C 63 43.781 42.958 0.823 1
1 874 . 3 1 1 A 71 71 LEU N N 63 123.741 127.044 -3.303 1
1 875 . 3 1 1 A 72 72 ILE H H 64 9.006 9.278 -0.272 1
1 876 . 3 1 1 A 72 72 ILE HA H 64 4.316 5.079 -0.763 1
1 886 . 3 1 1 A 72 72 ILE C C 64 175.349 173.444 1.905 1
1 887 . 3 1 1 A 72 72 ILE CA C 64 60.921 60.241 0.680 1
1 888 . 3 1 1 A 72 72 ILE CB C 64 39.919 40.902 -0.983 1
1 892 . 3 1 1 A 72 72 ILE N N 64 123.633 126.428 -2.795 1
1 893 . 3 1 1 A 73 73 ILE H H 65 8.601 9.069 -0.468 1
1 894 . 3 1 1 A 73 73 ILE HA H 65 4.854 4.794 0.060 1
1 904 . 3 1 1 A 73 73 ILE CA C 65 58.440 57.404 1.036 1
1 905 . 3 1 1 A 73 73 ILE CB C 65 39.820 41.160 -1.340 1
1 909 . 3 1 1 A 73 73 ILE N N 65 128.410 129.635 -1.225 1
1 910 . 3 1 1 A 74 74 PRO HA H 66 4.265 4.407 -0.142 1
1 917 . 3 1 1 A 74 74 PRO C C 66 177.170 177.442 -0.272 1
1 918 . 3 1 1 A 74 74 PRO CA C 66 64.500 64.031 0.469 1
1 919 . 3 1 1 A 74 74 PRO CB C 66 31.826 31.477 0.349 1
1 922 . 3 1 1 A 75 75 GLY H H 67 8.704 8.825 -0.121 1
1 923 . 3 1 1 A 75 75 GLY HA2 H 67 3.753 3.970 -0.217 1
1 924 . 3 1 1 A 75 75 GLY HA3 H 67 4.251 3.985 0.266 1
1 925 . 3 1 1 A 75 75 GLY C C 67 174.192 175.328 -1.136 1
1 926 . 3 1 1 A 75 75 GLY CA C 67 45.479 45.676 -0.197 1
1 927 . 3 1 1 A 75 75 GLY N N 67 111.825 112.586 -0.761 1
1 928 . 3 1 1 A 76 76 GLU H H 68 8.258 7.824 0.434 1
1 929 . 3 1 1 A 76 76 GLU HA H 68 4.483 4.506 -0.023 1
1 934 . 3 1 1 A 76 76 GLU C C 68 175.838 177.215 -1.377 1
1 935 . 3 1 1 A 76 76 GLU CA C 68 56.178 58.310 -2.132 1
1 936 . 3 1 1 A 76 76 GLU CB C 68 31.066 30.424 0.642 1
1 938 . 3 1 1 A 76 76 GLU N N 68 118.446 119.749 -1.303 1
1 939 . 3 1 1 A 77 77 GLN H H 69 8.102 8.364 -0.262 1
1 940 . 3 1 1 A 77 77 GLN HA H 69 4.556 4.473 0.083 1
1 947 . 3 1 1 A 77 77 GLN C C 69 175.179 175.211 -0.032 1
1 948 . 3 1 1 A 77 77 GLN CA C 69 55.633 56.250 -0.617 1
1 949 . 3 1 1 A 77 77 GLN CB C 69 31.116 28.631 2.485 1
1 951 . 3 1 1 A 77 77 GLN N N 69 117.826 118.958 -1.132 1
1 953 . 3 1 1 A 78 78 HIS H H 70 8.857 8.935 -0.078 1
1 954 . 3 1 1 A 78 78 HIS HA H 70 4.923 4.150 0.773 1
1 957 . 3 1 1 A 78 78 HIS C C 70 173.113 173.717 -0.604 1
1 958 . 3 1 1 A 78 78 HIS CA C 70 54.623 56.656 -2.033 1
1 959 . 3 1 1 A 78 78 HIS CB C 70 30.231 27.980 2.251 1
1 960 . 3 1 1 A 78 78 HIS N N 70 120.752 119.042 1.710 1
1 961 . 3 1 1 A 79 79 PHE H H 71 9.120 7.594 1.526 1
1 962 . 3 1 1 A 79 79 PHE HA H 71 4.797 4.786 0.011 1
1 967 . 3 1 1 A 79 79 PHE C C 71 174.341 174.140 0.201 1
1 968 . 3 1 1 A 79 79 PHE CA C 71 56.191 56.523 -0.332 1
1 969 . 3 1 1 A 79 79 PHE CB C 71 40.983 39.598 1.385 1
1 970 . 3 1 1 A 79 79 PHE N N 71 124.577 118.964 5.613 1
1 971 . 3 1 1 A 80 80 TYR H H 72 8.883 9.080 -0.197 1
1 972 . 3 1 1 A 80 80 TYR HA H 72 5.142 5.055 0.087 1
1 979 . 3 1 1 A 80 80 TYR C C 72 175.115 174.363 0.752 1
1 980 . 3 1 1 A 80 80 TYR CA C 72 57.353 57.582 -0.229 1
1 981 . 3 1 1 A 80 80 TYR CB C 72 39.753 40.774 -1.021 1
1 986 . 3 1 1 A 80 80 TYR N N 72 124.010 125.586 -1.576 1
1 987 . 3 1 1 A 81 81 MET H H 73 8.824 8.418 0.406 1
1 988 . 3 1 1 A 81 81 MET HA H 73 5.983 5.074 0.909 1
1 996 . 3 1 1 A 81 81 MET C C 73 175.053 174.312 0.741 1
1 997 . 3 1 1 A 81 81 MET CA C 73 54.453 53.612 0.841 1
1 998 . 3 1 1 A 81 81 MET CB C 73 38.584 35.787 2.797 1
1 1001 . 3 1 1 A 81 81 MET N N 73 120.151 124.837 -4.686 1
1 1002 . 3 1 1 A 82 82 LYS H H 74 9.103 8.753 0.350 1
1 1003 . 3 1 1 A 82 82 LYS HA H 74 4.800 4.692 0.108 1
1 1012 . 3 1 1 A 82 82 LYS C C 74 174.244 175.832 -1.588 1
1 1013 . 3 1 1 A 82 82 LYS CA C 74 55.314 54.539 0.775 1
1 1014 . 3 1 1 A 82 82 LYS CB C 74 36.251 35.659 0.592 1
1 1018 . 3 1 1 A 82 82 LYS N N 74 121.097 123.620 -2.523 1
1 1019 . 3 1 1 A 83 83 ALA H H 75 8.740 8.591 0.149 1
1 1020 . 3 1 1 A 83 83 ALA HA H 75 4.786 4.622 0.164 1
1 1024 . 3 1 1 A 83 83 ALA C C 75 177.126 177.943 -0.817 1
1 1025 . 3 1 1 A 83 83 ALA CA C 75 49.893 51.540 -1.647 1
1 1026 . 3 1 1 A 83 83 ALA CB C 75 21.311 20.162 1.149 1
1 1027 . 3 1 1 A 83 83 ALA N N 75 126.624 128.127 -1.503 1
1 1028 . 3 1 1 A 84 84 VAL H H 76 9.105 8.664 0.441 1
1 1029 . 3 1 1 A 84 84 VAL HA H 76 3.835 3.932 -0.097 1
1 1037 . 3 1 1 A 84 84 VAL C C 76 175.635 176.220 -0.585 1
1 1038 . 3 1 1 A 84 84 VAL CA C 76 64.888 65.664 -0.776 1
1 1039 . 3 1 1 A 84 84 VAL CB C 76 32.097 32.327 -0.230 1
1 1042 . 3 1 1 A 84 84 VAL N N 76 115.195 119.405 -4.210 1
1 1043 . 3 1 1 A 85 85 ASN H H 77 7.278 8.102 -0.824 1
1 1044 . 3 1 1 A 85 85 ASN HA H 77 4.476 5.195 -0.719 1
1 1049 . 3 1 1 A 85 85 ASN C C 77 174.796 175.769 -0.973 1
1 1050 . 3 1 1 A 85 85 ASN CA C 77 52.193 51.872 0.321 1
1 1051 . 3 1 1 A 85 85 ASN CB C 77 39.702 40.937 -1.235 1
1 1052 . 3 1 1 A 85 85 ASN N N 77 109.430 116.316 -6.886 1
1 1054 . 3 1 1 A 86 86 ALA H H 78 8.681 8.842 -0.161 1
1 1055 . 3 1 1 A 86 86 ALA HA H 78 4.195 4.007 0.188 1
1 1059 . 3 1 1 A 86 86 ALA C C 78 180.157 180.067 0.090 1
1 1060 . 3 1 1 A 86 86 ALA CA C 78 54.919 55.358 -0.439 1
1 1061 . 3 1 1 A 86 86 ALA CB C 78 18.721 18.189 0.532 1
1 1062 . 3 1 1 A 86 86 ALA N N 78 121.886 123.650 -1.764 1
1 1063 . 3 1 1 A 87 87 ALA H H 79 8.386 8.179 0.207 1
1 1064 . 3 1 1 A 87 87 ALA HA H 79 4.200 4.000 0.200 1
1 1068 . 3 1 1 A 87 87 ALA C C 79 181.167 180.158 1.009 1
1 1069 . 3 1 1 A 87 87 ALA CA C 79 55.195 55.223 -0.028 1
1 1070 . 3 1 1 A 87 87 ALA CB C 79 17.663 18.367 -0.704 1
1 1071 . 3 1 1 A 87 87 ALA N N 79 123.939 120.071 3.868 1
1 1072 . 3 1 1 A 88 88 GLU H H 80 8.743 8.117 0.626 1
1 1073 . 3 1 1 A 88 88 GLU HA H 80 4.260 3.990 0.270 1
1 1078 . 3 1 1 A 88 88 GLU C C 80 178.848 179.155 -0.307 1
1 1079 . 3 1 1 A 88 88 GLU CA C 80 59.191 59.445 -0.254 1
1 1080 . 3 1 1 A 88 88 GLU CB C 80 29.898 29.149 0.749 1
1 1082 . 3 1 1 A 88 88 GLU N N 80 119.694 117.999 1.695 1
1 1083 . 3 1 1 A 89 89 ARG H H 81 7.936 8.376 -0.440 1
1 1084 . 3 1 1 A 89 89 ARG HA H 81 3.780 4.139 -0.359 1
1 1087 . 3 1 1 A 89 89 ARG C C 81 177.596 178.705 -1.109 1
1 1088 . 3 1 1 A 89 89 ARG CA C 81 61.042 59.386 1.656 1
1 1089 . 3 1 1 A 89 89 ARG CB C 81 29.630 29.683 -0.053 1
1 1090 . 3 1 1 A 89 89 ARG N N 81 119.080 121.413 -2.333 1
1 1091 . 3 1 1 A 90 90 GLN H H 82 8.063 8.185 -0.122 1
1 1092 . 3 1 1 A 90 90 GLN HA H 82 4.039 4.018 0.021 1
1 1099 . 3 1 1 A 90 90 GLN C C 82 177.419 178.369 -0.950 1
1 1100 . 3 1 1 A 90 90 GLN CA C 82 59.069 59.074 -0.005 1
1 1101 . 3 1 1 A 90 90 GLN CB C 82 27.786 28.177 -0.391 1
1 1103 . 3 1 1 A 90 90 GLN N N 82 118.390 118.756 -0.366 1
1 1105 . 3 1 1 A 91 91 ARG H H 83 7.700 7.500 0.200 1
1 1106 . 3 1 1 A 91 91 ARG HA H 83 3.961 3.974 -0.013 1
1 1114 . 3 1 1 A 91 91 ARG C C 83 180.016 179.032 0.984 1
1 1115 . 3 1 1 A 91 91 ARG CA C 83 59.750 59.539 0.211 1
1 1116 . 3 1 1 A 91 91 ARG CB C 83 30.401 29.566 0.835 1
1 1119 . 3 1 1 A 91 91 ARG N N 83 117.912 118.595 -0.683 1
1 1121 . 3 1 1 A 92 92 TRP H H 84 7.895 7.626 0.269 1
1 1122 . 3 1 1 A 92 92 TRP HA H 84 4.115 4.482 -0.367 1
1 1130 . 3 1 1 A 92 92 TRP C C 84 178.111 179.141 -1.030 1
1 1131 . 3 1 1 A 92 92 TRP CA C 84 61.633 59.830 1.803 1
1 1132 . 3 1 1 A 92 92 TRP CB C 84 29.032 29.529 -0.497 1
1 1137 . 3 1 1 A 92 92 TRP N N 84 119.237 121.052 -1.815 1
1 1139 . 3 1 1 A 93 93 LEU H H 85 8.988 8.914 0.074 1
1 1140 . 3 1 1 A 93 93 LEU HA H 85 3.978 3.977 0.001 1
1 1150 . 3 1 1 A 93 93 LEU C C 85 180.925 179.672 1.253 1
1 1151 . 3 1 1 A 93 93 LEU CA C 85 58.716 57.794 0.922 1
1 1152 . 3 1 1 A 93 93 LEU CB C 85 41.506 41.252 0.254 1
1 1156 . 3 1 1 A 93 93 LEU N N 85 119.853 120.145 -0.292 1
1 1157 . 3 1 1 A 94 94 VAL H H 86 8.233 8.401 -0.168 1
1 1158 . 3 1 1 A 94 94 VAL HA H 86 3.695 3.514 0.181 1
1 1166 . 3 1 1 A 94 94 VAL C C 86 178.733 177.863 0.870 1
1 1167 . 3 1 1 A 94 94 VAL CA C 86 66.250 66.581 -0.331 1
1 1168 . 3 1 1 A 94 94 VAL CB C 86 31.886 31.526 0.360 1
1 1171 . 3 1 1 A 94 94 VAL N N 86 120.164 120.009 0.155 1
1 1172 . 3 1 1 A 95 95 ALA H H 87 7.345 7.687 -0.342 1
1 1173 . 3 1 1 A 95 95 ALA HA H 87 4.113 4.028 0.085 1
1 1177 . 3 1 1 A 95 95 ALA C C 87 180.055 180.344 -0.289 1
1 1178 . 3 1 1 A 95 95 ALA CA C 87 55.410 55.364 0.046 1
1 1179 . 3 1 1 A 95 95 ALA CB C 87 18.816 18.391 0.425 1
1 1180 . 3 1 1 A 95 95 ALA N N 87 123.818 121.591 2.227 1
1 1181 . 3 1 1 A 96 96 LEU H H 88 9.342 8.825 0.517 1
1 1182 . 3 1 1 A 96 96 LEU HA H 88 4.003 4.008 -0.005 1
1 1192 . 3 1 1 A 96 96 LEU C C 88 179.349 179.253 0.096 1
1 1193 . 3 1 1 A 96 96 LEU CA C 88 57.786 58.119 -0.333 1
1 1194 . 3 1 1 A 96 96 LEU CB C 88 41.848 41.808 0.040 1
1 1198 . 3 1 1 A 96 96 LEU N N 88 117.857 118.392 -0.535 1
1 1199 . 3 1 1 A 97 97 GLY H H 89 8.252 8.351 -0.099 1
1 1200 . 3 1 1 A 97 97 GLY HA2 H 89 3.819 3.814 0.005 1
1 1201 . 3 1 1 A 97 97 GLY HA3 H 89 3.948 3.821 0.127 1
1 1202 . 3 1 1 A 97 97 GLY C C 89 176.463 176.429 0.034 1
1 1203 . 3 1 1 A 97 97 GLY CA C 89 46.620 47.677 -1.057 1
1 1204 . 3 1 1 A 97 97 GLY N N 89 105.618 106.303 -0.685 1
1 1205 . 3 1 1 A 98 98 SER H H 90 8.068 7.682 0.386 1
1 1206 . 3 1 1 A 98 98 SER HA H 90 4.377 4.163 0.214 1
1 1209 . 3 1 1 A 98 98 SER C C 90 176.144 176.546 -0.402 1
1 1210 . 3 1 1 A 98 98 SER CA C 90 60.842 61.478 -0.636 1
1 1211 . 3 1 1 A 98 98 SER CB C 90 63.116 62.621 0.495 1
1 1212 . 3 1 1 A 98 98 SER N N 90 117.602 116.694 0.908 1
1 1213 . 3 1 1 A 99 99 SER H H 91 8.036 7.631 0.405 1
1 1214 . 3 1 1 A 99 99 SER HA H 91 4.324 4.205 0.119 1
1 1217 . 3 1 1 A 99 99 SER C C 91 175.818 177.465 -1.647 1
1 1218 . 3 1 1 A 99 99 SER CA C 91 60.720 61.404 -0.684 1
1 1219 . 3 1 1 A 99 99 SER CB C 91 63.831 63.059 0.772 1
1 1220 . 3 1 1 A 99 99 SER N N 91 116.877 117.709 -0.832 1
1 1221 . 3 1 1 A 100 100 LYS H H 92 7.838 7.665 0.173 1
1 1222 . 3 1 1 A 100 100 LYS HA H 92 4.068 4.029 0.039 1
1 1231 . 3 1 1 A 100 100 LYS C C 92 177.235 177.939 -0.704 1
1 1232 . 3 1 1 A 100 100 LYS CA C 92 58.121 59.016 -0.895 1
1 1233 . 3 1 1 A 100 100 LYS CB C 92 32.263 32.150 0.113 1
1 1237 . 3 1 1 A 100 100 LYS N N 92 119.456 121.270 -1.814 1
1 1238 . 3 1 1 A 101 101 ALA H H 93 7.924 7.786 0.138 1
1 1239 . 3 1 1 A 101 101 ALA HA H 93 4.321 4.263 0.058 1
1 1243 . 3 1 1 A 101 101 ALA C C 93 178.323 177.906 0.417 1
1 1244 . 3 1 1 A 101 101 ALA CA C 93 53.435 53.012 0.423 1
1 1245 . 3 1 1 A 101 101 ALA CB C 93 18.969 18.433 0.536 1
1 1246 . 3 1 1 A 101 101 ALA N N 93 122.054 120.825 1.229 1
1 1247 . 3 1 1 A 102 102 SER H H 94 8.061 8.652 -0.591 1
1 1248 . 3 1 1 A 102 102 SER HA H 94 4.451 4.049 0.402 1
1 1251 . 3 1 1 A 102 102 SER C C 94 174.773 173.103 1.670 1
1 1252 . 3 1 1 A 102 102 SER CA C 94 59.086 58.792 0.294 1
1 1253 . 3 1 1 A 102 102 SER CB C 94 63.766 61.538 2.228 1
1 1254 . 3 1 1 A 102 102 SER N N 94 114.102 114.861 -0.759 1
1 1255 . 3 1 1 A 103 103 LEU H H 95 8.053 7.677 0.376 1
1 1256 . 3 1 1 A 103 103 LEU HA H 95 4.507 4.693 -0.186 1
1 1266 . 3 1 1 A 103 103 LEU C C 95 177.589 175.484 2.105 1
1 1267 . 3 1 1 A 103 103 LEU CA C 95 55.398 52.079 3.319 1
1 1268 . 3 1 1 A 103 103 LEU CB C 95 42.435 44.258 -1.823 1
1 1272 . 3 1 1 A 103 103 LEU N N 95 123.264 120.873 2.391 1
1 1273 . 3 1 1 A 104 104 THR H H 96 8.045 8.644 -0.599 1
1 1274 . 3 1 1 A 104 104 THR HA H 96 4.383 4.396 -0.013 1
1 1279 . 3 1 1 A 104 104 THR C C 96 174.128 173.893 0.235 1
1 1280 . 3 1 1 A 104 104 THR CA C 96 61.982 61.371 0.611 1
1 1281 . 3 1 1 A 104 104 THR CB C 96 69.938 71.242 -1.304 1
1 1283 . 3 1 1 A 104 104 THR N N 96 113.833 114.460 -0.627 1
1 1284 . 3 1 1 A 105 105 ASP H H 97 8.346 8.667 -0.321 1
1 1285 . 3 1 1 A 105 105 ASP HA H 97 4.740 4.567 0.173 1
1 1288 . 3 1 1 A 105 105 ASP C C 97 176.310 177.063 -0.753 1
1 1289 . 3 1 1 A 105 105 ASP CA C 97 54.300 54.311 -0.011 1
1 1290 . 3 1 1 A 105 105 ASP CB C 97 41.174 41.946 -0.772 1
1 1291 . 3 1 1 A 105 105 ASP N N 97 123.107 120.916 2.191 1
1 1292 . 3 1 1 A 106 106 THR H H 98 8.147 8.752 -0.605 1
1 1293 . 3 1 1 A 106 106 THR HA H 98 4.355 4.028 0.327 1
1 1298 . 3 1 1 A 106 106 THR C C 98 174.523 173.605 0.918 1
1 1299 . 3 1 1 A 106 106 THR CA C 98 61.937 62.869 -0.932 1
1 1300 . 3 1 1 A 106 106 THR CB C 98 69.656 66.469 3.187 1
1 1302 . 3 1 1 A 106 106 THR N N 98 114.857 115.979 -1.122 1
1 1303 . 3 1 1 A 107 107 ARG H H 99 8.385 7.741 0.644 1
1 1304 . 3 1 1 A 107 107 ARG HA H 99 4.442 4.916 -0.474 1
1 1312 . 3 1 1 A 107 107 ARG C C 99 175.764 174.991 0.773 1
1 1313 . 3 1 1 A 107 107 ARG CA C 99 56.311 54.859 1.452 1
1 1314 . 3 1 1 A 107 107 ARG CB C 99 30.745 32.972 -2.227 1
1 1317 . 3 1 1 A 107 107 ARG N N 99 123.999 121.357 2.642 1
1 1 . 4 1 1 A 2 2 PRO HA H -6 4.460 4.516 -0.056 1
1 8 . 4 1 1 A 2 2 PRO C C -6 176.875 175.781 1.094 1
1 9 . 4 1 1 A 2 2 PRO CA C -6 63.159 63.026 0.133 1
1 10 . 4 1 1 A 2 2 PRO CB C -6 32.292 32.085 0.207 1
1 13 . 4 1 1 A 3 3 LEU H H -5 8.483 8.571 -0.088 1
1 14 . 4 1 1 A 3 3 LEU HA H -5 4.334 4.595 -0.261 1
1 24 . 4 1 1 A 3 3 LEU C C -5 177.797 177.112 0.685 1
1 25 . 4 1 1 A 3 3 LEU CA C -5 55.474 54.146 1.328 1
1 26 . 4 1 1 A 3 3 LEU CB C -5 42.239 42.991 -0.752 1
1 30 . 4 1 1 A 3 3 LEU N N -5 122.315 123.482 -1.167 1
1 31 . 4 1 1 A 4 4 GLY H H -4 8.393 8.862 -0.469 1
1 32 . 4 1 1 A 4 4 GLY HA2 H -4 3.978 3.917 0.061 1
1 33 . 4 1 1 A 4 4 GLY HA3 H -4 3.978 3.918 0.060 1
1 34 . 4 1 1 A 4 4 GLY C C -4 173.730 174.148 -0.418 1
1 35 . 4 1 1 A 4 4 GLY CA C -4 45.158 46.829 -1.671 1
1 36 . 4 1 1 A 4 4 GLY N N -4 109.911 116.495 -6.584 1
1 37 . 4 1 1 A 5 5 SER H H -3 8.162 8.103 0.059 1
1 38 . 4 1 1 A 5 5 SER HA H -3 4.764 4.664 0.100 1
1 41 . 4 1 1 A 5 5 SER CA C -3 56.323 59.557 -3.234 1
1 42 . 4 1 1 A 5 5 SER CB C -3 63.515 65.808 -2.293 1
1 43 . 4 1 1 A 5 5 SER N N -3 116.873 118.612 -1.739 1
1 44 . 4 1 1 A 6 6 PRO HA H -2 4.399 4.536 -0.137 1
1 47 . 4 1 1 A 6 6 PRO C C -2 176.587 175.770 0.817 1
1 48 . 4 1 1 A 6 6 PRO CA C -2 63.552 63.245 0.307 1
1 49 . 4 1 1 A 6 6 PRO CB C -2 31.997 31.442 0.555 1
1 50 . 4 1 1 A 7 7 GLU H H -1 8.364 8.729 -0.365 1
1 51 . 4 1 1 A 7 7 GLU HA H -1 4.285 4.495 -0.210 1
1 56 . 4 1 1 A 7 7 GLU C C -1 174.954 175.323 -0.369 1
1 57 . 4 1 1 A 7 7 GLU CA C -1 56.486 55.236 1.250 1
1 58 . 4 1 1 A 7 7 GLU CB C -1 29.924 28.455 1.469 1
1 60 . 4 1 1 A 7 7 GLU N N -1 119.665 123.668 -4.003 1
1 61 . 4 1 1 A 8 8 PHE H H 0 7.872 8.567 -0.695 1
1 62 . 4 1 1 A 8 8 PHE HA H 0 5.204 5.925 -0.721 1
1 67 . 4 1 1 A 8 8 PHE C C 0 174.670 173.640 1.030 1
1 68 . 4 1 1 A 8 8 PHE CA C 0 56.861 56.351 0.510 1
1 69 . 4 1 1 A 8 8 PHE CB C 0 41.874 42.697 -0.823 1
1 72 . 4 1 1 A 8 8 PHE N N 0 122.497 126.366 -3.869 1
1 73 . 4 1 1 A 9 9 MET H H 1 7.833 8.379 -0.546 1
1 74 . 4 1 1 A 9 9 MET HA H 1 4.095 4.640 -0.545 1
1 82 . 4 1 1 A 9 9 MET C C 1 171.191 173.785 -2.594 1
1 83 . 4 1 1 A 9 9 MET CA C 1 54.613 53.771 0.842 1
1 84 . 4 1 1 A 9 9 MET CB C 1 34.867 35.294 -0.427 1
1 87 . 4 1 1 A 9 9 MET N N 1 127.163 126.589 0.574 1
1 88 . 4 1 1 A 10 10 GLU H H 2 7.698 8.517 -0.819 1
1 89 . 4 1 1 A 10 10 GLU HA H 2 5.603 4.863 0.740 1
1 94 . 4 1 1 A 10 10 GLU C C 2 174.743 174.553 0.190 1
1 95 . 4 1 1 A 10 10 GLU CA C 2 53.345 54.199 -0.854 1
1 96 . 4 1 1 A 10 10 GLU CB C 2 32.408 33.604 -1.196 1
1 98 . 4 1 1 A 10 10 GLU N N 2 118.654 121.604 -2.950 1
1 99 . 4 1 1 A 11 11 GLY H H 3 7.994 7.558 0.436 1
1 100 . 4 1 1 A 11 11 GLY HA2 H 3 3.115 3.716 -0.601 1
1 101 . 4 1 1 A 11 11 GLY HA3 H 3 4.377 4.168 0.209 1
1 102 . 4 1 1 A 11 11 GLY C C 3 170.878 171.580 -0.702 1
1 103 . 4 1 1 A 11 11 GLY CA C 3 45.086 44.355 0.731 1
1 104 . 4 1 1 A 11 11 GLY N N 3 108.296 106.528 1.768 1
1 105 . 4 1 1 A 12 12 VAL H H 4 8.463 8.496 -0.033 1
1 106 . 4 1 1 A 12 12 VAL HA H 4 4.969 5.476 -0.507 1
1 114 . 4 1 1 A 12 12 VAL C C 4 177.805 174.297 3.508 1
1 115 . 4 1 1 A 12 12 VAL CA C 4 62.373 59.191 3.182 1
1 116 . 4 1 1 A 12 12 VAL CB C 4 33.152 35.774 -2.622 1
1 119 . 4 1 1 A 12 12 VAL N N 4 119.624 116.652 2.972 1
1 120 . 4 1 1 A 13 13 LEU H H 5 8.647 9.098 -0.451 1
1 121 . 4 1 1 A 13 13 LEU HA H 5 4.382 4.958 -0.576 1
1 131 . 4 1 1 A 13 13 LEU C C 5 175.407 175.440 -0.033 1
1 132 . 4 1 1 A 13 13 LEU CA C 5 54.139 53.653 0.486 1
1 133 . 4 1 1 A 13 13 LEU CB C 5 46.374 45.940 0.434 1
1 137 . 4 1 1 A 13 13 LEU N N 5 125.806 122.536 3.270 1
1 138 . 4 1 1 A 14 14 TYR H H 6 9.007 9.253 -0.246 1
1 139 . 4 1 1 A 14 14 TYR HA H 6 5.026 5.205 -0.179 1
1 144 . 4 1 1 A 14 14 TYR C C 6 175.047 174.540 0.507 1
1 145 . 4 1 1 A 14 14 TYR CA C 6 57.484 58.634 -1.150 1
1 146 . 4 1 1 A 14 14 TYR CB C 6 39.400 38.887 0.513 1
1 147 . 4 1 1 A 14 14 TYR N N 6 118.975 124.164 -5.189 1
1 148 . 4 1 1 A 15 15 LYS H H 7 9.549 8.973 0.576 1
1 149 . 4 1 1 A 15 15 LYS HA H 7 5.467 4.789 0.678 1
1 158 . 4 1 1 A 15 15 LYS C C 7 175.772 175.807 -0.035 1
1 159 . 4 1 1 A 15 15 LYS CA C 7 54.136 54.559 -0.423 1
1 160 . 4 1 1 A 15 15 LYS CB C 7 37.043 34.714 2.329 1
1 164 . 4 1 1 A 15 15 LYS N N 7 123.867 128.351 -4.484 1
1 165 . 4 1 1 A 16 16 TRP H H 8 8.355 8.603 -0.248 1
1 166 . 4 1 1 A 16 16 TRP HA H 8 3.893 4.656 -0.763 1
1 175 . 4 1 1 A 16 16 TRP C C 8 176.038 176.293 -0.255 1
1 176 . 4 1 1 A 16 16 TRP CA C 8 57.880 57.845 0.035 1
1 177 . 4 1 1 A 16 16 TRP CB C 8 29.347 30.301 -0.954 1
1 183 . 4 1 1 A 16 16 TRP N N 8 129.111 129.234 -0.123 1
1 185 . 4 1 1 A 17 17 THR H H 9 6.754 8.007 -1.253 1
1 186 . 4 1 1 A 17 17 THR HA H 9 4.127 4.364 -0.237 1
1 191 . 4 1 1 A 17 17 THR C C 9 172.153 174.179 -2.026 1
1 192 . 4 1 1 A 17 17 THR CA C 9 61.413 61.888 -0.475 1
1 193 . 4 1 1 A 17 17 THR CB C 9 69.317 69.362 -0.045 1
1 195 . 4 1 1 A 17 17 THR N N 9 121.030 118.254 2.776 1
1 196 . 4 1 1 A 18 18 ASN H H 10 7.418 7.253 0.165 1
1 197 . 4 1 1 A 18 18 ASN HA H 10 4.051 4.835 -0.784 1
1 202 . 4 1 1 A 18 18 ASN C C 10 174.308 174.657 -0.349 1
1 203 . 4 1 1 A 18 18 ASN CA C 10 52.089 51.844 0.245 1
1 204 . 4 1 1 A 18 18 ASN CB C 10 39.339 41.185 -1.846 1
1 205 . 4 1 1 A 18 18 ASN N N 10 115.655 117.775 -2.120 1
1 207 . 4 1 1 A 19 19 TYR H H 11 8.348 8.844 -0.496 1
1 208 . 4 1 1 A 19 19 TYR HA H 11 4.284 4.358 -0.074 1
1 215 . 4 1 1 A 19 19 TYR C C 11 175.974 177.382 -1.408 1
1 216 . 4 1 1 A 19 19 TYR CA C 11 60.774 60.273 0.501 1
1 217 . 4 1 1 A 19 19 TYR CB C 11 37.815 37.956 -0.141 1
1 222 . 4 1 1 A 19 19 TYR N N 11 115.508 124.057 -8.549 1
1 223 . 4 1 1 A 20 20 LEU H H 12 7.827 7.639 0.188 1
1 224 . 4 1 1 A 20 20 LEU HA H 12 4.091 4.013 0.078 1
1 234 . 4 1 1 A 20 20 LEU C C 12 178.711 179.331 -0.620 1
1 235 . 4 1 1 A 20 20 LEU CA C 12 56.966 57.673 -0.707 1
1 236 . 4 1 1 A 20 20 LEU CB C 12 41.922 41.689 0.233 1
1 240 . 4 1 1 A 20 20 LEU N N 12 120.867 122.250 -1.383 1
1 241 . 4 1 1 A 21 21 THR H H 13 7.651 7.666 -0.015 1
1 242 . 4 1 1 A 21 21 THR HA H 13 4.162 4.265 -0.103 1
1 247 . 4 1 1 A 21 21 THR C C 13 175.842 175.153 0.689 1
1 248 . 4 1 1 A 21 21 THR CA C 13 62.159 62.511 -0.352 1
1 249 . 4 1 1 A 21 21 THR CB C 13 69.191 70.273 -1.082 1
1 251 . 4 1 1 A 21 21 THR N N 13 108.304 107.445 0.859 1
1 252 . 4 1 1 A 22 22 GLY H H 14 7.679 8.034 -0.355 1
1 253 . 4 1 1 A 22 22 GLY HA2 H 14 2.802 3.785 -0.983 1
1 254 . 4 1 1 A 22 22 GLY HA3 H 14 3.715 4.002 -0.287 1
1 255 . 4 1 1 A 22 22 GLY C C 14 175.108 173.437 1.671 1
1 256 . 4 1 1 A 22 22 GLY CA C 14 46.131 46.776 -0.645 1
1 257 . 4 1 1 A 22 22 GLY N N 14 109.901 110.599 -0.698 1
1 258 . 4 1 1 A 23 23 TRP H H 15 8.817 7.792 1.025 1
1 259 . 4 1 1 A 23 23 TRP HA H 15 4.724 5.729 -1.005 1
1 268 . 4 1 1 A 23 23 TRP C C 15 176.569 175.061 1.508 1
1 269 . 4 1 1 A 23 23 TRP CA C 15 56.897 55.378 1.519 1
1 270 . 4 1 1 A 23 23 TRP CB C 15 29.825 32.702 -2.877 1
1 275 . 4 1 1 A 23 23 TRP N N 15 126.927 122.649 4.278 1
1 277 . 4 1 1 A 24 24 GLN H H 16 8.931 8.423 0.508 1
1 278 . 4 1 1 A 24 24 GLN HA H 16 5.186 4.234 0.952 1
1 285 . 4 1 1 A 24 24 GLN CA C 16 52.369 51.683 0.686 1
1 286 . 4 1 1 A 24 24 GLN CB C 16 31.536 30.778 0.758 1
1 288 . 4 1 1 A 24 24 GLN N N 16 122.710 121.455 1.255 1
1 290 . 4 1 1 A 25 25 PRO HA H 17 4.206 4.918 -0.712 1
1 297 . 4 1 1 A 25 25 PRO C C 17 176.918 175.999 0.919 1
1 298 . 4 1 1 A 25 25 PRO CA C 17 62.894 63.133 -0.239 1
1 299 . 4 1 1 A 25 25 PRO CB C 17 31.444 31.711 -0.267 1
1 302 . 4 1 1 A 26 26 ARG H H 18 9.041 8.761 0.280 1
1 303 . 4 1 1 A 26 26 ARG HA H 18 4.857 4.936 -0.079 1
1 310 . 4 1 1 A 26 26 ARG C C 18 173.102 174.447 -1.345 1
1 311 . 4 1 1 A 26 26 ARG CA C 18 53.273 54.495 -1.222 1
1 312 . 4 1 1 A 26 26 ARG CB C 18 34.254 33.985 0.269 1
1 315 . 4 1 1 A 26 26 ARG N N 18 123.602 123.256 0.346 1
1 316 . 4 1 1 A 27 27 TRP H H 19 8.375 8.305 0.070 1
1 317 . 4 1 1 A 27 27 TRP HA H 19 5.077 5.230 -0.153 1
1 326 . 4 1 1 A 27 27 TRP C C 19 174.728 174.732 -0.004 1
1 327 . 4 1 1 A 27 27 TRP CA C 19 56.157 56.611 -0.454 1
1 328 . 4 1 1 A 27 27 TRP CB C 19 31.116 31.480 -0.364 1
1 334 . 4 1 1 A 27 27 TRP N N 19 121.669 124.777 -3.108 1
1 336 . 4 1 1 A 28 28 PHE H H 20 9.016 8.982 0.034 1
1 337 . 4 1 1 A 28 28 PHE HA H 20 5.385 5.402 -0.017 1
1 345 . 4 1 1 A 28 28 PHE C C 20 174.685 174.440 0.245 1
1 346 . 4 1 1 A 28 28 PHE CA C 20 56.699 56.362 0.337 1
1 347 . 4 1 1 A 28 28 PHE CB C 20 43.155 43.189 -0.034 1
1 353 . 4 1 1 A 28 28 PHE N N 20 128.520 126.177 2.343 1
1 354 . 4 1 1 A 29 29 VAL H H 21 9.058 9.295 -0.237 1
1 355 . 4 1 1 A 29 29 VAL HA H 21 4.681 5.151 -0.470 1
1 363 . 4 1 1 A 29 29 VAL C C 21 174.804 173.879 0.925 1
1 364 . 4 1 1 A 29 29 VAL CA C 21 61.719 59.691 2.028 1
1 365 . 4 1 1 A 29 29 VAL CB C 21 36.416 35.637 0.779 1
1 368 . 4 1 1 A 29 29 VAL N N 21 117.562 116.885 0.677 1
1 369 . 4 1 1 A 30 30 LEU H H 22 9.543 8.830 0.713 1
1 370 . 4 1 1 A 30 30 LEU HA H 22 5.311 5.178 0.133 1
1 380 . 4 1 1 A 30 30 LEU C C 22 173.506 175.161 -1.655 1
1 381 . 4 1 1 A 30 30 LEU CA C 22 53.213 53.992 -0.779 1
1 382 . 4 1 1 A 30 30 LEU CB C 22 44.939 43.964 0.975 1
1 386 . 4 1 1 A 30 30 LEU N N 22 131.939 127.403 4.536 1
1 387 . 4 1 1 A 31 31 ASP H H 23 8.513 9.429 -0.916 1
1 388 . 4 1 1 A 31 31 ASP HA H 23 5.151 5.266 -0.115 1
1 391 . 4 1 1 A 31 31 ASP C C 23 176.940 175.635 1.305 1
1 392 . 4 1 1 A 31 31 ASP CA C 23 53.671 53.486 0.185 1
1 393 . 4 1 1 A 31 31 ASP CB C 23 43.770 43.029 0.741 1
1 394 . 4 1 1 A 31 31 ASP N N 23 121.978 125.760 -3.782 1
1 395 . 4 1 1 A 32 32 ASN H H 24 9.280 9.468 -0.188 1
1 396 . 4 1 1 A 32 32 ASN HA H 24 4.421 4.514 -0.093 1
1 401 . 4 1 1 A 32 32 ASN C C 24 175.044 174.441 0.603 1
1 402 . 4 1 1 A 32 32 ASN CA C 24 54.362 54.108 0.254 1
1 403 . 4 1 1 A 32 32 ASN CB C 24 37.804 37.647 0.157 1
1 404 . 4 1 1 A 32 32 ASN N N 24 125.653 125.353 0.300 1
1 406 . 4 1 1 A 33 33 GLY H H 25 8.997 8.561 0.436 1
1 407 . 4 1 1 A 33 33 GLY HA2 H 25 3.581 3.848 -0.267 1
1 408 . 4 1 1 A 33 33 GLY HA3 H 25 4.154 3.849 0.305 1
1 409 . 4 1 1 A 33 33 GLY C C 25 173.215 173.619 -0.404 1
1 410 . 4 1 1 A 33 33 GLY CA C 25 45.930 45.547 0.383 1
1 411 . 4 1 1 A 33 33 GLY N N 25 102.623 105.008 -2.385 1
1 412 . 4 1 1 A 34 34 ILE H H 26 7.955 7.833 0.122 1
1 413 . 4 1 1 A 34 34 ILE HA H 26 4.771 4.453 0.318 1
1 423 . 4 1 1 A 34 34 ILE C C 26 174.753 173.931 0.822 1
1 424 . 4 1 1 A 34 34 ILE CA C 26 59.201 60.326 -1.125 1
1 425 . 4 1 1 A 34 34 ILE CB C 26 39.393 40.675 -1.282 1
1 429 . 4 1 1 A 34 34 ILE N N 26 122.350 123.019 -0.669 1
1 430 . 4 1 1 A 35 35 LEU H H 27 9.274 9.396 -0.122 1
1 431 . 4 1 1 A 35 35 LEU HA H 27 5.441 5.277 0.164 1
1 441 . 4 1 1 A 35 35 LEU C C 27 175.131 175.106 0.025 1
1 442 . 4 1 1 A 35 35 LEU CA C 27 53.160 53.733 -0.573 1
1 443 . 4 1 1 A 35 35 LEU CB C 27 44.532 44.430 0.102 1
1 447 . 4 1 1 A 35 35 LEU N N 27 132.013 130.951 1.062 1
1 448 . 4 1 1 A 36 36 SER H H 28 9.668 9.539 0.129 1
1 449 . 4 1 1 A 36 36 SER HA H 28 5.379 5.286 0.093 1
1 452 . 4 1 1 A 36 36 SER C C 28 171.968 173.876 -1.908 1
1 453 . 4 1 1 A 36 36 SER CA C 28 57.345 57.881 -0.536 1
1 454 . 4 1 1 A 36 36 SER CB C 28 66.044 65.066 0.978 1
1 455 . 4 1 1 A 36 36 SER N N 28 123.682 125.076 -1.394 1
1 456 . 4 1 1 A 37 37 TYR H H 29 7.452 8.346 -0.894 1
1 457 . 4 1 1 A 37 37 TYR HA H 29 5.658 5.684 -0.026 1
1 464 . 4 1 1 A 37 37 TYR C C 29 172.731 173.603 -0.872 1
1 465 . 4 1 1 A 37 37 TYR CA C 29 54.632 55.120 -0.488 1
1 466 . 4 1 1 A 37 37 TYR CB C 29 39.599 41.771 -2.172 1
1 471 . 4 1 1 A 37 37 TYR N N 29 115.554 120.955 -5.401 1
1 472 . 4 1 1 A 38 38 TYR H H 30 9.116 8.877 0.239 1
1 473 . 4 1 1 A 38 38 TYR HA H 30 4.626 4.930 -0.304 1
1 480 . 4 1 1 A 38 38 TYR C C 30 175.771 175.061 0.710 1
1 481 . 4 1 1 A 38 38 TYR CA C 30 56.194 56.725 -0.531 1
1 482 . 4 1 1 A 38 38 TYR CB C 30 43.253 43.203 0.050 1
1 487 . 4 1 1 A 38 38 TYR N N 30 117.937 119.257 -1.320 1
1 488 . 4 1 1 A 39 39 ASP H H 31 9.474 9.436 0.038 1
1 489 . 4 1 1 A 39 39 ASP HA H 31 4.624 4.540 0.084 1
1 492 . 4 1 1 A 39 39 ASP C C 31 176.264 175.502 0.762 1
1 493 . 4 1 1 A 39 39 ASP CA C 31 58.144 56.403 1.741 1
1 494 . 4 1 1 A 39 39 ASP CB C 31 40.399 41.620 -1.221 1
1 495 . 4 1 1 A 39 39 ASP N N 31 121.988 122.177 -0.189 1
1 496 . 4 1 1 A 40 40 SER H H 32 7.511 7.900 -0.389 1
1 497 . 4 1 1 A 40 40 SER HA H 32 4.567 4.803 -0.236 1
1 500 . 4 1 1 A 40 40 SER C C 32 173.752 173.997 -0.245 1
1 501 . 4 1 1 A 40 40 SER CA C 32 57.211 57.499 -0.288 1
1 502 . 4 1 1 A 40 40 SER CB C 32 65.547 66.913 -1.366 1
1 503 . 4 1 1 A 40 40 SER N N 32 107.441 110.881 -3.440 1
1 504 . 4 1 1 A 41 41 GLN H H 33 8.828 8.396 0.432 1
1 505 . 4 1 1 A 41 41 GLN HA H 33 2.511 2.688 -0.177 1
1 512 . 4 1 1 A 41 41 GLN C C 33 177.001 176.317 0.684 1
1 513 . 4 1 1 A 41 41 GLN CA C 33 58.261 58.618 -0.357 1
1 514 . 4 1 1 A 41 41 GLN CB C 33 27.168 28.210 -1.042 1
1 516 . 4 1 1 A 41 41 GLN N N 33 123.170 122.421 0.749 1
1 518 . 4 1 1 A 42 42 ASP H H 34 7.774 8.050 -0.276 1
1 519 . 4 1 1 A 42 42 ASP HA H 34 4.289 4.209 0.080 1
1 522 . 4 1 1 A 42 42 ASP C C 34 176.567 177.979 -1.412 1
1 523 . 4 1 1 A 42 42 ASP CA C 34 55.710 57.072 -1.362 1
1 524 . 4 1 1 A 42 42 ASP CB C 34 40.459 41.350 -0.891 1
1 525 . 4 1 1 A 42 42 ASP N N 34 116.558 119.525 -2.967 1
1 526 . 4 1 1 A 43 43 ASP H H 35 7.388 7.977 -0.589 1
1 527 . 4 1 1 A 43 43 ASP HA H 35 4.755 4.381 0.374 1
1 530 . 4 1 1 A 43 43 ASP C C 35 177.129 178.667 -1.538 1
1 531 . 4 1 1 A 43 43 ASP CA C 35 54.563 56.253 -1.690 1
1 532 . 4 1 1 A 43 43 ASP CB C 35 42.434 41.401 1.033 1
1 533 . 4 1 1 A 43 43 ASP N N 35 117.173 119.389 -2.216 1
1 534 . 4 1 1 A 44 44 VAL H H 36 7.063 7.520 -0.457 1
1 535 . 4 1 1 A 44 44 VAL HA H 36 3.372 2.184 1.188 1
1 543 . 4 1 1 A 44 44 VAL C C 36 178.169 178.002 0.167 1
1 544 . 4 1 1 A 44 44 VAL CA C 36 65.325 65.712 -0.387 1
1 545 . 4 1 1 A 44 44 VAL CB C 36 31.179 30.914 0.265 1
1 548 . 4 1 1 A 44 44 VAL N N 36 121.695 119.156 2.539 1
1 549 . 4 1 1 A 45 45 CYS H H 37 8.133 7.754 0.379 1
1 550 . 4 1 1 A 45 45 CYS HA H 37 4.425 4.148 0.277 1
1 553 . 4 1 1 A 45 45 CYS C C 37 175.083 177.023 -1.940 1
1 554 . 4 1 1 A 45 45 CYS CA C 37 59.202 62.032 -2.830 1
1 555 . 4 1 1 A 45 45 CYS CB C 37 27.101 27.046 0.055 1
1 556 . 4 1 1 A 45 45 CYS N N 37 115.191 119.382 -4.191 1
1 557 . 4 1 1 A 46 46 LYS H H 38 7.844 7.551 0.293 1
1 558 . 4 1 1 A 46 46 LYS HA H 38 4.428 4.074 0.354 1
1 567 . 4 1 1 A 46 46 LYS C C 38 177.049 176.654 0.395 1
1 568 . 4 1 1 A 46 46 LYS CA C 38 56.787 57.554 -0.767 1
1 569 . 4 1 1 A 46 46 LYS CB C 38 33.119 33.123 -0.004 1
1 573 . 4 1 1 A 46 46 LYS N N 38 121.496 117.687 3.809 1
1 574 . 4 1 1 A 47 47 GLY H H 39 7.759 7.315 0.444 1
1 575 . 4 1 1 A 47 47 GLY HA2 H 39 4.022 4.060 -0.038 1
1 576 . 4 1 1 A 47 47 GLY HA3 H 39 4.542 4.078 0.464 1
1 577 . 4 1 1 A 47 47 GLY C C 39 173.037 172.345 0.692 1
1 578 . 4 1 1 A 47 47 GLY CA C 39 44.261 45.489 -1.228 1
1 579 . 4 1 1 A 47 47 GLY N N 39 107.270 105.122 2.148 1
1 580 . 4 1 1 A 48 48 SER H H 40 8.478 8.445 0.033 1
1 581 . 4 1 1 A 48 48 SER HA H 40 3.783 4.701 -0.918 1
1 584 . 4 1 1 A 48 48 SER C C 40 175.221 174.683 0.538 1
1 585 . 4 1 1 A 48 48 SER CA C 40 57.947 58.003 -0.056 1
1 586 . 4 1 1 A 48 48 SER CB C 40 63.811 63.780 0.031 1
1 587 . 4 1 1 A 48 48 SER N N 40 116.121 116.527 -0.406 1
1 588 . 4 1 1 A 49 49 LYS H H 41 8.394 8.635 -0.241 1
1 589 . 4 1 1 A 49 49 LYS HA H 41 4.188 4.703 -0.515 1
1 598 . 4 1 1 A 49 49 LYS C C 41 176.470 175.682 0.788 1
1 599 . 4 1 1 A 49 49 LYS CA C 41 55.331 55.739 -0.408 1
1 600 . 4 1 1 A 49 49 LYS CB C 41 32.293 33.369 -1.076 1
1 604 . 4 1 1 A 49 49 LYS N N 41 120.990 122.570 -1.580 1
1 605 . 4 1 1 A 50 50 GLY H H 42 6.747 6.715 0.032 1
1 606 . 4 1 1 A 50 50 GLY HA2 H 42 3.531 3.958 -0.427 1
1 607 . 4 1 1 A 50 50 GLY HA3 H 42 3.884 3.992 -0.108 1
1 608 . 4 1 1 A 50 50 GLY C C 42 170.967 171.487 -0.520 1
1 609 . 4 1 1 A 50 50 GLY CA C 42 45.060 44.829 0.231 1
1 610 . 4 1 1 A 50 50 GLY N N 42 106.048 106.758 -0.710 1
1 611 . 4 1 1 A 51 51 SER H H 43 8.158 8.490 -0.332 1
1 612 . 4 1 1 A 51 51 SER HA H 43 5.343 5.274 0.069 1
1 615 . 4 1 1 A 51 51 SER C C 43 172.787 173.185 -0.398 1
1 616 . 4 1 1 A 51 51 SER CA C 43 57.639 57.328 0.311 1
1 617 . 4 1 1 A 51 51 SER CB C 43 65.897 66.735 -0.838 1
1 618 . 4 1 1 A 51 51 SER N N 43 113.080 115.645 -2.565 1
1 619 . 4 1 1 A 52 52 ILE H H 44 9.306 9.415 -0.109 1
1 620 . 4 1 1 A 52 52 ILE HA H 44 4.203 4.742 -0.539 1
1 630 . 4 1 1 A 52 52 ILE C C 44 174.340 174.738 -0.398 1
1 631 . 4 1 1 A 52 52 ILE CA C 44 60.326 60.428 -0.102 1
1 632 . 4 1 1 A 52 52 ILE CB C 44 42.302 39.104 3.198 1
1 636 . 4 1 1 A 52 52 ILE N N 44 123.385 122.581 0.804 1
1 637 . 4 1 1 A 53 53 LYS H H 45 8.495 8.735 -0.240 1
1 638 . 4 1 1 A 53 53 LYS HA H 45 4.444 4.606 -0.162 1
1 647 . 4 1 1 A 53 53 LYS C C 45 176.283 176.415 -0.132 1
1 648 . 4 1 1 A 53 53 LYS CA C 45 56.255 56.268 -0.013 1
1 649 . 4 1 1 A 53 53 LYS CB C 45 32.258 32.397 -0.139 1
1 653 . 4 1 1 A 53 53 LYS N N 45 127.498 128.955 -1.457 1
1 654 . 4 1 1 A 54 54 MET H H 46 8.190 8.315 -0.125 1
1 655 . 4 1 1 A 54 54 MET HA H 46 4.585 4.282 0.303 1
1 663 . 4 1 1 A 54 54 MET C C 46 178.779 178.113 0.666 1
1 664 . 4 1 1 A 54 54 MET CA C 46 55.549 58.429 -2.880 1
1 665 . 4 1 1 A 54 54 MET CB C 46 29.465 31.728 -2.263 1
1 668 . 4 1 1 A 54 54 MET N N 46 123.817 125.083 -1.266 1
1 669 . 4 1 1 A 55 55 ALA H H 47 8.860 7.745 1.115 1
1 670 . 4 1 1 A 55 55 ALA HA H 47 4.142 4.142 0.000 1
1 674 . 4 1 1 A 55 55 ALA C C 47 178.752 177.856 0.896 1
1 675 . 4 1 1 A 55 55 ALA CA C 47 55.004 54.325 0.679 1
1 676 . 4 1 1 A 55 55 ALA CB C 47 19.312 18.471 0.841 1
1 677 . 4 1 1 A 55 55 ALA N N 47 119.194 120.978 -1.784 1
1 678 . 4 1 1 A 56 56 VAL H H 48 7.127 8.147 -1.020 1
1 679 . 4 1 1 A 56 56 VAL HA H 48 4.592 4.372 0.220 1
1 687 . 4 1 1 A 56 56 VAL C C 48 174.965 175.486 -0.521 1
1 688 . 4 1 1 A 56 56 VAL CA C 48 60.038 61.462 -1.424 1
1 689 . 4 1 1 A 56 56 VAL CB C 48 31.878 33.538 -1.660 1
1 692 . 4 1 1 A 56 56 VAL N N 48 105.989 116.704 -10.715 1
1 693 . 4 1 1 A 57 57 CYS H H 49 7.414 7.862 -0.448 1
1 694 . 4 1 1 A 57 57 CYS HA H 49 4.897 5.352 -0.455 1
1 697 . 4 1 1 A 57 57 CYS C C 49 173.836 173.314 0.522 1
1 698 . 4 1 1 A 57 57 CYS CA C 49 58.123 57.548 0.575 1
1 699 . 4 1 1 A 57 57 CYS CB C 49 30.078 30.613 -0.535 1
1 700 . 4 1 1 A 57 57 CYS N N 49 119.973 120.527 -0.554 1
1 701 . 4 1 1 A 58 58 GLU H H 50 8.852 8.702 0.150 1
1 702 . 4 1 1 A 58 58 GLU HA H 50 4.674 4.644 0.030 1
1 707 . 4 1 1 A 58 58 GLU C C 50 175.085 175.314 -0.229 1
1 708 . 4 1 1 A 58 58 GLU CA C 50 54.809 56.276 -1.467 1
1 709 . 4 1 1 A 58 58 GLU CB C 50 31.856 30.925 0.931 1
1 711 . 4 1 1 A 58 58 GLU N N 50 124.719 126.043 -1.324 1
1 712 . 4 1 1 A 59 59 ILE H H 51 8.731 8.744 -0.013 1
1 713 . 4 1 1 A 59 59 ILE HA H 51 4.625 5.011 -0.386 1
1 723 . 4 1 1 A 59 59 ILE C C 51 175.513 174.243 1.270 1
1 724 . 4 1 1 A 59 59 ILE CA C 51 60.675 60.388 0.287 1
1 725 . 4 1 1 A 59 59 ILE CB C 51 39.717 39.812 -0.095 1
1 729 . 4 1 1 A 59 59 ILE N N 51 124.286 124.853 -0.567 1
1 730 . 4 1 1 A 60 60 LYS H H 52 9.212 9.234 -0.022 1
1 731 . 4 1 1 A 60 60 LYS HA H 52 4.829 4.703 0.126 1
1 740 . 4 1 1 A 60 60 LYS C C 52 175.594 175.409 0.185 1
1 741 . 4 1 1 A 60 60 LYS CA C 52 54.490 56.013 -1.523 1
1 742 . 4 1 1 A 60 60 LYS CB C 52 34.908 32.946 1.962 1
1 746 . 4 1 1 A 60 60 LYS N N 52 128.004 129.617 -1.613 1
1 747 . 4 1 1 A 61 61 VAL H H 53 8.776 8.911 -0.135 1
1 748 . 4 1 1 A 61 61 VAL HA H 53 4.087 4.862 -0.775 1
1 756 . 4 1 1 A 61 61 VAL C C 53 175.262 174.991 0.271 1
1 757 . 4 1 1 A 61 61 VAL CA C 53 62.067 61.403 0.664 1
1 758 . 4 1 1 A 61 61 VAL CB C 53 33.296 33.818 -0.522 1
1 761 . 4 1 1 A 61 61 VAL N N 53 124.000 124.908 -0.908 1
1 762 . 4 1 1 A 62 62 HIS H H 54 7.677 8.614 -0.937 1
1 763 . 4 1 1 A 62 62 HIS HA H 54 4.456 4.979 -0.523 1
1 766 . 4 1 1 A 62 62 HIS C C 54 176.465 173.445 3.020 1
1 767 . 4 1 1 A 62 62 HIS CA C 54 57.986 55.182 2.804 1
1 768 . 4 1 1 A 62 62 HIS CB C 54 32.369 32.072 0.297 1
1 769 . 4 1 1 A 62 62 HIS N N 54 127.177 127.014 0.163 1
1 770 . 4 1 1 A 63 63 SER H H 55 8.552 8.709 -0.157 1
1 771 . 4 1 1 A 63 63 SER HA H 55 4.251 4.363 -0.112 1
1 774 . 4 1 1 A 63 63 SER C C 55 174.509 173.576 0.933 1
1 775 . 4 1 1 A 63 63 SER CA C 55 60.312 58.302 2.010 1
1 776 . 4 1 1 A 63 63 SER CB C 55 63.609 63.301 0.308 1
1 777 . 4 1 1 A 63 63 SER N N 55 120.508 123.269 -2.761 1
1 778 . 4 1 1 A 64 64 ALA H H 56 8.807 8.582 0.225 1
1 779 . 4 1 1 A 64 64 ALA HA H 56 4.553 4.358 0.195 1
1 783 . 4 1 1 A 64 64 ALA C C 56 176.763 176.398 0.365 1
1 784 . 4 1 1 A 64 64 ALA CA C 56 53.183 53.263 -0.080 1
1 785 . 4 1 1 A 64 64 ALA CB C 56 20.619 20.287 0.332 1
1 786 . 4 1 1 A 64 64 ALA N N 56 124.728 129.937 -5.209 1
1 787 . 4 1 1 A 65 65 ASP H H 57 8.762 8.184 0.578 1
1 788 . 4 1 1 A 65 65 ASP HA H 57 4.689 4.981 -0.292 1
1 791 . 4 1 1 A 65 65 ASP C C 57 176.322 174.885 1.437 1
1 792 . 4 1 1 A 65 65 ASP CA C 57 52.911 53.400 -0.489 1
1 793 . 4 1 1 A 65 65 ASP CB C 57 41.216 42.544 -1.328 1
1 794 . 4 1 1 A 65 65 ASP N N 57 120.574 116.496 4.078 1
1 795 . 4 1 1 A 66 66 ASN H H 58 8.457 8.589 -0.132 1
1 796 . 4 1 1 A 66 66 ASN HA H 58 4.580 5.129 -0.549 1
1 801 . 4 1 1 A 66 66 ASN C C 58 174.296 175.772 -1.476 1
1 802 . 4 1 1 A 66 66 ASN CA C 58 54.146 51.871 2.275 1
1 803 . 4 1 1 A 66 66 ASN CB C 58 37.538 40.621 -3.083 1
1 804 . 4 1 1 A 66 66 ASN N N 58 122.233 116.832 5.401 1
1 806 . 4 1 1 A 67 67 THR H H 59 8.411 8.820 -0.409 1
1 807 . 4 1 1 A 67 67 THR HA H 59 4.284 3.985 0.299 1
1 812 . 4 1 1 A 67 67 THR C C 59 175.932 174.006 1.926 1
1 813 . 4 1 1 A 67 67 THR CA C 59 62.159 63.062 -0.903 1
1 814 . 4 1 1 A 67 67 THR CB C 59 70.025 66.555 3.470 1
1 816 . 4 1 1 A 67 67 THR N N 59 104.777 117.010 -12.233 1
1 817 . 4 1 1 A 68 68 ARG H H 60 7.589 7.690 -0.101 1
1 818 . 4 1 1 A 68 68 ARG HA H 60 5.044 5.028 0.016 1
1 825 . 4 1 1 A 68 68 ARG C C 60 176.482 174.674 1.808 1
1 826 . 4 1 1 A 68 68 ARG CA C 60 56.516 54.917 1.599 1
1 827 . 4 1 1 A 68 68 ARG CB C 60 34.348 31.518 2.830 1
1 830 . 4 1 1 A 68 68 ARG N N 60 122.336 119.532 2.804 1
1 831 . 4 1 1 A 69 69 MET H H 61 9.018 8.150 0.868 1
1 832 . 4 1 1 A 69 69 MET HA H 61 4.997 5.204 -0.207 1
1 840 . 4 1 1 A 69 69 MET C C 61 172.463 174.353 -1.890 1
1 841 . 4 1 1 A 69 69 MET CA C 61 55.330 53.742 1.588 1
1 842 . 4 1 1 A 69 69 MET CB C 61 37.234 37.352 -0.118 1
1 845 . 4 1 1 A 69 69 MET N N 61 119.640 123.649 -4.009 1
1 846 . 4 1 1 A 70 70 GLU H H 62 8.996 8.759 0.237 1
1 847 . 4 1 1 A 70 70 GLU HA H 62 5.365 4.917 0.448 1
1 852 . 4 1 1 A 70 70 GLU C C 62 173.523 174.632 -1.109 1
1 853 . 4 1 1 A 70 70 GLU CA C 62 54.326 54.823 -0.497 1
1 854 . 4 1 1 A 70 70 GLU CB C 62 33.915 33.472 0.443 1
1 856 . 4 1 1 A 70 70 GLU N N 62 122.200 123.306 -1.106 1
1 857 . 4 1 1 A 71 71 LEU H H 63 8.763 9.232 -0.469 1
1 858 . 4 1 1 A 71 71 LEU HA H 63 5.222 5.362 -0.140 1
1 868 . 4 1 1 A 71 71 LEU C C 63 175.719 174.920 0.799 1
1 869 . 4 1 1 A 71 71 LEU CA C 63 53.222 53.573 -0.351 1
1 870 . 4 1 1 A 71 71 LEU CB C 63 43.781 43.063 0.718 1
1 874 . 4 1 1 A 71 71 LEU N N 63 123.741 127.041 -3.300 1
1 875 . 4 1 1 A 72 72 ILE H H 64 9.006 9.138 -0.132 1
1 876 . 4 1 1 A 72 72 ILE HA H 64 4.316 5.062 -0.746 1
1 886 . 4 1 1 A 72 72 ILE C C 64 175.349 173.450 1.899 1
1 887 . 4 1 1 A 72 72 ILE CA C 64 60.921 60.283 0.638 1
1 888 . 4 1 1 A 72 72 ILE CB C 64 39.919 40.968 -1.049 1
1 892 . 4 1 1 A 72 72 ILE N N 64 123.633 126.371 -2.738 1
1 893 . 4 1 1 A 73 73 ILE H H 65 8.601 9.059 -0.458 1
1 894 . 4 1 1 A 73 73 ILE HA H 65 4.854 4.760 0.094 1
1 904 . 4 1 1 A 73 73 ILE CA C 65 58.440 57.467 0.973 1
1 905 . 4 1 1 A 73 73 ILE CB C 65 39.820 41.070 -1.250 1
1 909 . 4 1 1 A 73 73 ILE N N 65 128.410 129.633 -1.223 1
1 910 . 4 1 1 A 74 74 PRO HA H 66 4.265 4.300 -0.035 1
1 917 . 4 1 1 A 74 74 PRO C C 66 177.170 177.442 -0.272 1
1 918 . 4 1 1 A 74 74 PRO CA C 66 64.500 63.937 0.563 1
1 919 . 4 1 1 A 74 74 PRO CB C 66 31.826 31.398 0.428 1
1 922 . 4 1 1 A 75 75 GLY H H 67 8.704 8.756 -0.052 1
1 923 . 4 1 1 A 75 75 GLY HA2 H 67 3.753 3.976 -0.223 1
1 924 . 4 1 1 A 75 75 GLY HA3 H 67 4.251 3.990 0.261 1
1 925 . 4 1 1 A 75 75 GLY C C 67 174.192 175.267 -1.075 1
1 926 . 4 1 1 A 75 75 GLY CA C 67 45.479 45.717 -0.238 1
1 927 . 4 1 1 A 75 75 GLY N N 67 111.825 112.585 -0.760 1
1 928 . 4 1 1 A 76 76 GLU H H 68 8.258 8.304 -0.046 1
1 929 . 4 1 1 A 76 76 GLU HA H 68 4.483 4.462 0.021 1
1 934 . 4 1 1 A 76 76 GLU C C 68 175.838 177.171 -1.333 1
1 935 . 4 1 1 A 76 76 GLU CA C 68 56.178 58.332 -2.154 1
1 936 . 4 1 1 A 76 76 GLU CB C 68 31.066 30.843 0.223 1
1 938 . 4 1 1 A 76 76 GLU N N 68 118.446 120.054 -1.608 1
1 939 . 4 1 1 A 77 77 GLN H H 69 8.102 8.374 -0.272 1
1 940 . 4 1 1 A 77 77 GLN HA H 69 4.556 4.510 0.046 1
1 947 . 4 1 1 A 77 77 GLN C C 69 175.179 175.337 -0.158 1
1 948 . 4 1 1 A 77 77 GLN CA C 69 55.633 56.784 -1.151 1
1 949 . 4 1 1 A 77 77 GLN CB C 69 31.116 28.909 2.207 1
1 951 . 4 1 1 A 77 77 GLN N N 69 117.826 119.039 -1.213 1
1 953 . 4 1 1 A 78 78 HIS H H 70 8.857 8.942 -0.085 1
1 954 . 4 1 1 A 78 78 HIS HA H 70 4.923 4.130 0.793 1
1 957 . 4 1 1 A 78 78 HIS C C 70 173.113 173.701 -0.588 1
1 958 . 4 1 1 A 78 78 HIS CA C 70 54.623 56.751 -2.128 1
1 959 . 4 1 1 A 78 78 HIS CB C 70 30.231 27.925 2.306 1
1 960 . 4 1 1 A 78 78 HIS N N 70 120.752 119.069 1.683 1
1 961 . 4 1 1 A 79 79 PHE H H 71 9.120 7.712 1.408 1
1 962 . 4 1 1 A 79 79 PHE HA H 71 4.797 4.912 -0.115 1
1 967 . 4 1 1 A 79 79 PHE C C 71 174.341 173.813 0.528 1
1 968 . 4 1 1 A 79 79 PHE CA C 71 56.191 56.319 -0.128 1
1 969 . 4 1 1 A 79 79 PHE CB C 71 40.983 40.069 0.914 1
1 970 . 4 1 1 A 79 79 PHE N N 71 124.577 118.900 5.677 1
1 971 . 4 1 1 A 80 80 TYR H H 72 8.883 8.978 -0.095 1
1 972 . 4 1 1 A 80 80 TYR HA H 72 5.142 5.174 -0.032 1
1 979 . 4 1 1 A 80 80 TYR C C 72 175.115 174.168 0.947 1
1 980 . 4 1 1 A 80 80 TYR CA C 72 57.353 56.683 0.670 1
1 981 . 4 1 1 A 80 80 TYR CB C 72 39.753 41.588 -1.835 1
1 986 . 4 1 1 A 80 80 TYR N N 72 124.010 125.320 -1.310 1
1 987 . 4 1 1 A 81 81 MET H H 73 8.824 8.391 0.433 1
1 988 . 4 1 1 A 81 81 MET HA H 73 5.983 4.987 0.996 1
1 996 . 4 1 1 A 81 81 MET C C 73 175.053 174.410 0.643 1
1 997 . 4 1 1 A 81 81 MET CA C 73 54.453 54.008 0.445 1
1 998 . 4 1 1 A 81 81 MET CB C 73 38.584 35.125 3.459 1
1 1001 . 4 1 1 A 81 81 MET N N 73 120.151 126.443 -6.292 1
1 1002 . 4 1 1 A 82 82 LYS H H 74 9.103 8.562 0.541 1
1 1003 . 4 1 1 A 82 82 LYS HA H 74 4.800 4.690 0.110 1
1 1012 . 4 1 1 A 82 82 LYS C C 74 174.244 175.121 -0.877 1
1 1013 . 4 1 1 A 82 82 LYS CA C 74 55.314 55.703 -0.389 1
1 1014 . 4 1 1 A 82 82 LYS CB C 74 36.251 36.140 0.111 1
1 1018 . 4 1 1 A 82 82 LYS N N 74 121.097 124.313 -3.216 1
1 1019 . 4 1 1 A 83 83 ALA H H 75 8.740 8.540 0.200 1
1 1020 . 4 1 1 A 83 83 ALA HA H 75 4.786 4.714 0.072 1
1 1024 . 4 1 1 A 83 83 ALA C C 75 177.126 178.165 -1.039 1
1 1025 . 4 1 1 A 83 83 ALA CA C 75 49.893 50.837 -0.944 1
1 1026 . 4 1 1 A 83 83 ALA CB C 75 21.311 20.142 1.169 1
1 1027 . 4 1 1 A 83 83 ALA N N 75 126.624 127.943 -1.319 1
1 1028 . 4 1 1 A 84 84 VAL H H 76 9.105 8.598 0.507 1
1 1029 . 4 1 1 A 84 84 VAL HA H 76 3.835 3.843 -0.008 1
1 1037 . 4 1 1 A 84 84 VAL C C 76 175.635 176.090 -0.455 1
1 1038 . 4 1 1 A 84 84 VAL CA C 76 64.888 65.421 -0.533 1
1 1039 . 4 1 1 A 84 84 VAL CB C 76 32.097 32.230 -0.133 1
1 1042 . 4 1 1 A 84 84 VAL N N 76 115.195 118.818 -3.623 1
1 1043 . 4 1 1 A 85 85 ASN H H 77 7.278 7.978 -0.700 1
1 1044 . 4 1 1 A 85 85 ASN HA H 77 4.476 5.042 -0.566 1
1 1049 . 4 1 1 A 85 85 ASN C C 77 174.796 175.366 -0.570 1
1 1050 . 4 1 1 A 85 85 ASN CA C 77 52.193 51.330 0.863 1
1 1051 . 4 1 1 A 85 85 ASN CB C 77 39.702 40.669 -0.967 1
1 1052 . 4 1 1 A 85 85 ASN N N 77 109.430 115.431 -6.001 1
1 1054 . 4 1 1 A 86 86 ALA H H 78 8.681 8.807 -0.126 1
1 1055 . 4 1 1 A 86 86 ALA HA H 78 4.195 4.022 0.173 1
1 1059 . 4 1 1 A 86 86 ALA C C 78 180.157 179.974 0.183 1
1 1060 . 4 1 1 A 86 86 ALA CA C 78 54.919 55.555 -0.636 1
1 1061 . 4 1 1 A 86 86 ALA CB C 78 18.721 18.271 0.450 1
1 1062 . 4 1 1 A 86 86 ALA N N 78 121.886 121.835 0.051 1
1 1063 . 4 1 1 A 87 87 ALA H H 79 8.386 7.951 0.435 1
1 1064 . 4 1 1 A 87 87 ALA HA H 79 4.200 4.012 0.188 1
1 1068 . 4 1 1 A 87 87 ALA C C 79 181.167 180.157 1.010 1
1 1069 . 4 1 1 A 87 87 ALA CA C 79 55.195 55.240 -0.045 1
1 1070 . 4 1 1 A 87 87 ALA CB C 79 17.663 18.221 -0.558 1
1 1071 . 4 1 1 A 87 87 ALA N N 79 123.939 119.730 4.209 1
1 1072 . 4 1 1 A 88 88 GLU H H 80 8.743 7.847 0.896 1
1 1073 . 4 1 1 A 88 88 GLU HA H 80 4.260 4.063 0.197 1
1 1078 . 4 1 1 A 88 88 GLU C C 80 178.848 179.314 -0.466 1
1 1079 . 4 1 1 A 88 88 GLU CA C 80 59.191 59.481 -0.290 1
1 1080 . 4 1 1 A 88 88 GLU CB C 80 29.898 29.286 0.612 1
1 1082 . 4 1 1 A 88 88 GLU N N 80 119.694 117.942 1.752 1
1 1083 . 4 1 1 A 89 89 ARG H H 81 7.936 8.569 -0.633 1
1 1084 . 4 1 1 A 89 89 ARG HA H 81 3.780 4.084 -0.304 1
1 1087 . 4 1 1 A 89 89 ARG C C 81 177.596 178.664 -1.068 1
1 1088 . 4 1 1 A 89 89 ARG CA C 81 61.042 59.228 1.814 1
1 1089 . 4 1 1 A 89 89 ARG CB C 81 29.630 29.789 -0.159 1
1 1090 . 4 1 1 A 89 89 ARG N N 81 119.080 120.785 -1.705 1
1 1091 . 4 1 1 A 90 90 GLN H H 82 8.063 8.201 -0.138 1
1 1092 . 4 1 1 A 90 90 GLN HA H 82 4.039 4.037 0.002 1
1 1099 . 4 1 1 A 90 90 GLN C C 82 177.419 178.263 -0.844 1
1 1100 . 4 1 1 A 90 90 GLN CA C 82 59.069 59.027 0.042 1
1 1101 . 4 1 1 A 90 90 GLN CB C 82 27.786 28.427 -0.641 1
1 1103 . 4 1 1 A 90 90 GLN N N 82 118.390 118.470 -0.080 1
1 1105 . 4 1 1 A 91 91 ARG H H 83 7.700 7.725 -0.025 1
1 1106 . 4 1 1 A 91 91 ARG HA H 83 3.961 3.980 -0.019 1
1 1114 . 4 1 1 A 91 91 ARG C C 83 180.016 179.010 1.006 1
1 1115 . 4 1 1 A 91 91 ARG CA C 83 59.750 59.518 0.232 1
1 1116 . 4 1 1 A 91 91 ARG CB C 83 30.401 29.613 0.788 1
1 1119 . 4 1 1 A 91 91 ARG N N 83 117.912 118.620 -0.708 1
1 1121 . 4 1 1 A 92 92 TRP H H 84 7.895 7.621 0.274 1
1 1122 . 4 1 1 A 92 92 TRP HA H 84 4.115 4.469 -0.354 1
1 1130 . 4 1 1 A 92 92 TRP C C 84 178.111 179.180 -1.069 1
1 1131 . 4 1 1 A 92 92 TRP CA C 84 61.633 59.840 1.793 1
1 1132 . 4 1 1 A 92 92 TRP CB C 84 29.032 29.572 -0.540 1
1 1137 . 4 1 1 A 92 92 TRP N N 84 119.237 121.004 -1.767 1
1 1139 . 4 1 1 A 93 93 LEU H H 85 8.988 8.483 0.505 1
1 1140 . 4 1 1 A 93 93 LEU HA H 85 3.978 3.977 0.001 1
1 1150 . 4 1 1 A 93 93 LEU C C 85 180.925 179.654 1.271 1
1 1151 . 4 1 1 A 93 93 LEU CA C 85 58.716 57.939 0.777 1
1 1152 . 4 1 1 A 93 93 LEU CB C 85 41.506 41.155 0.351 1
1 1156 . 4 1 1 A 93 93 LEU N N 85 119.853 120.262 -0.409 1
1 1157 . 4 1 1 A 94 94 VAL H H 86 8.233 8.337 -0.104 1
1 1158 . 4 1 1 A 94 94 VAL HA H 86 3.695 3.515 0.180 1
1 1166 . 4 1 1 A 94 94 VAL C C 86 178.733 177.886 0.847 1
1 1167 . 4 1 1 A 94 94 VAL CA C 86 66.250 66.585 -0.335 1
1 1168 . 4 1 1 A 94 94 VAL CB C 86 31.886 31.500 0.386 1
1 1171 . 4 1 1 A 94 94 VAL N N 86 120.164 119.797 0.367 1
1 1172 . 4 1 1 A 95 95 ALA H H 87 7.345 7.710 -0.365 1
1 1173 . 4 1 1 A 95 95 ALA HA H 87 4.113 4.017 0.096 1
1 1177 . 4 1 1 A 95 95 ALA C C 87 180.055 180.267 -0.212 1
1 1178 . 4 1 1 A 95 95 ALA CA C 87 55.410 55.344 0.066 1
1 1179 . 4 1 1 A 95 95 ALA CB C 87 18.816 18.490 0.326 1
1 1180 . 4 1 1 A 95 95 ALA N N 87 123.818 121.648 2.170 1
1 1181 . 4 1 1 A 96 96 LEU H H 88 9.342 8.835 0.507 1
1 1182 . 4 1 1 A 96 96 LEU HA H 88 4.003 4.019 -0.016 1
1 1192 . 4 1 1 A 96 96 LEU C C 88 179.349 179.402 -0.053 1
1 1193 . 4 1 1 A 96 96 LEU CA C 88 57.786 57.994 -0.208 1
1 1194 . 4 1 1 A 96 96 LEU CB C 88 41.848 41.776 0.072 1
1 1198 . 4 1 1 A 96 96 LEU N N 88 117.857 118.413 -0.556 1
1 1199 . 4 1 1 A 97 97 GLY H H 89 8.252 8.324 -0.072 1
1 1200 . 4 1 1 A 97 97 GLY HA2 H 89 3.819 3.834 -0.015 1
1 1201 . 4 1 1 A 97 97 GLY HA3 H 89 3.948 3.836 0.112 1
1 1202 . 4 1 1 A 97 97 GLY C C 89 176.463 175.992 0.471 1
1 1203 . 4 1 1 A 97 97 GLY CA C 89 46.620 47.411 -0.791 1
1 1204 . 4 1 1 A 97 97 GLY N N 89 105.618 106.999 -1.381 1
1 1205 . 4 1 1 A 98 98 SER H H 90 8.068 8.257 -0.189 1
1 1206 . 4 1 1 A 98 98 SER HA H 90 4.377 4.144 0.233 1
1 1209 . 4 1 1 A 98 98 SER C C 90 176.144 177.035 -0.891 1
1 1210 . 4 1 1 A 98 98 SER CA C 90 60.842 61.374 -0.532 1
1 1211 . 4 1 1 A 98 98 SER CB C 90 63.116 62.849 0.267 1
1 1212 . 4 1 1 A 98 98 SER N N 90 117.602 117.380 0.222 1
1 1213 . 4 1 1 A 99 99 SER H H 91 8.036 8.075 -0.039 1
1 1214 . 4 1 1 A 99 99 SER HA H 91 4.324 4.243 0.081 1
1 1217 . 4 1 1 A 99 99 SER C C 91 175.818 175.952 -0.134 1
1 1218 . 4 1 1 A 99 99 SER CA C 91 60.720 61.653 -0.933 1
1 1219 . 4 1 1 A 99 99 SER CB C 91 63.831 62.860 0.971 1
1 1220 . 4 1 1 A 99 99 SER N N 91 116.877 117.160 -0.283 1
1 1221 . 4 1 1 A 100 100 LYS H H 92 7.838 7.607 0.231 1
1 1222 . 4 1 1 A 100 100 LYS HA H 92 4.068 4.042 0.026 1
1 1231 . 4 1 1 A 100 100 LYS C C 92 177.235 177.888 -0.653 1
1 1232 . 4 1 1 A 100 100 LYS CA C 92 58.121 58.827 -0.706 1
1 1233 . 4 1 1 A 100 100 LYS CB C 92 32.263 32.122 0.141 1
1 1237 . 4 1 1 A 100 100 LYS N N 92 119.456 120.943 -1.487 1
1 1238 . 4 1 1 A 101 101 ALA H H 93 7.924 7.917 0.007 1
1 1239 . 4 1 1 A 101 101 ALA HA H 93 4.321 4.277 0.044 1
1 1243 . 4 1 1 A 101 101 ALA C C 93 178.323 177.988 0.335 1
1 1244 . 4 1 1 A 101 101 ALA CA C 93 53.435 53.039 0.396 1
1 1245 . 4 1 1 A 101 101 ALA CB C 93 18.969 18.443 0.526 1
1 1246 . 4 1 1 A 101 101 ALA N N 93 122.054 120.425 1.629 1
1 1247 . 4 1 1 A 102 102 SER H H 94 8.061 8.697 -0.636 1
1 1248 . 4 1 1 A 102 102 SER HA H 94 4.451 4.041 0.410 1
1 1251 . 4 1 1 A 102 102 SER C C 94 174.773 173.187 1.586 1
1 1252 . 4 1 1 A 102 102 SER CA C 94 59.086 58.932 0.154 1
1 1253 . 4 1 1 A 102 102 SER CB C 94 63.766 61.397 2.369 1
1 1254 . 4 1 1 A 102 102 SER N N 94 114.102 115.407 -1.305 1
1 1255 . 4 1 1 A 103 103 LEU H H 95 8.053 7.886 0.167 1
1 1256 . 4 1 1 A 103 103 LEU HA H 95 4.507 4.307 0.200 1
1 1266 . 4 1 1 A 103 103 LEU C C 95 177.589 176.019 1.570 1
1 1267 . 4 1 1 A 103 103 LEU CA C 95 55.398 54.285 1.113 1
1 1268 . 4 1 1 A 103 103 LEU CB C 95 42.435 43.821 -1.386 1
1 1272 . 4 1 1 A 103 103 LEU N N 95 123.264 121.120 2.144 1
1 1273 . 4 1 1 A 104 104 THR H H 96 8.045 8.612 -0.567 1
1 1274 . 4 1 1 A 104 104 THR HA H 96 4.383 4.454 -0.071 1
1 1279 . 4 1 1 A 104 104 THR C C 96 174.128 173.894 0.234 1
1 1280 . 4 1 1 A 104 104 THR CA C 96 61.982 61.452 0.530 1
1 1281 . 4 1 1 A 104 104 THR CB C 96 69.938 71.017 -1.079 1
1 1283 . 4 1 1 A 104 104 THR N N 96 113.833 114.947 -1.114 1
1 1284 . 4 1 1 A 105 105 ASP H H 97 8.346 8.567 -0.221 1
1 1285 . 4 1 1 A 105 105 ASP HA H 97 4.740 4.533 0.207 1
1 1288 . 4 1 1 A 105 105 ASP C C 97 176.310 176.961 -0.651 1
1 1289 . 4 1 1 A 105 105 ASP CA C 97 54.300 54.365 -0.065 1
1 1290 . 4 1 1 A 105 105 ASP CB C 97 41.174 42.005 -0.831 1
1 1291 . 4 1 1 A 105 105 ASP N N 97 123.107 120.581 2.526 1
1 1292 . 4 1 1 A 106 106 THR H H 98 8.147 8.709 -0.562 1
1 1293 . 4 1 1 A 106 106 THR HA H 98 4.355 4.027 0.328 1
1 1298 . 4 1 1 A 106 106 THR C C 98 174.523 173.557 0.966 1
1 1299 . 4 1 1 A 106 106 THR CA C 98 61.937 62.971 -1.034 1
1 1300 . 4 1 1 A 106 106 THR CB C 98 69.656 66.488 3.168 1
1 1302 . 4 1 1 A 106 106 THR N N 98 114.857 116.192 -1.335 1
1 1303 . 4 1 1 A 107 107 ARG H H 99 8.385 7.523 0.862 1
1 1304 . 4 1 1 A 107 107 ARG HA H 99 4.442 5.013 -0.571 1
1 1312 . 4 1 1 A 107 107 ARG C C 99 175.764 174.977 0.787 1
1 1313 . 4 1 1 A 107 107 ARG CA C 99 56.311 53.976 2.335 1
1 1314 . 4 1 1 A 107 107 ARG CB C 99 30.745 34.324 -3.579 1
1 1317 . 4 1 1 A 107 107 ARG N N 99 123.999 121.279 2.720 1
1 1 . 5 1 1 A 2 2 PRO HA H -6 4.460 5.022 -0.562 1
1 8 . 5 1 1 A 2 2 PRO C C -6 176.875 175.684 1.191 1
1 9 . 5 1 1 A 2 2 PRO CA C -6 63.159 62.154 1.005 1
1 10 . 5 1 1 A 2 2 PRO CB C -6 32.292 29.516 2.776 1
1 13 . 5 1 1 A 3 3 LEU H H -5 8.483 8.100 0.383 1
1 14 . 5 1 1 A 3 3 LEU HA H -5 4.334 4.649 -0.315 1
1 24 . 5 1 1 A 3 3 LEU C C -5 177.797 177.485 0.312 1
1 25 . 5 1 1 A 3 3 LEU CA C -5 55.474 54.165 1.309 1
1 26 . 5 1 1 A 3 3 LEU CB C -5 42.239 41.298 0.941 1
1 30 . 5 1 1 A 3 3 LEU N N -5 122.315 124.120 -1.805 1
1 31 . 5 1 1 A 4 4 GLY H H -4 8.393 8.944 -0.551 1
1 32 . 5 1 1 A 4 4 GLY HA2 H -4 3.978 3.966 0.012 1
1 33 . 5 1 1 A 4 4 GLY HA3 H -4 3.978 3.967 0.011 1
1 34 . 5 1 1 A 4 4 GLY C C -4 173.730 174.351 -0.621 1
1 35 . 5 1 1 A 4 4 GLY CA C -4 45.158 45.813 -0.655 1
1 36 . 5 1 1 A 4 4 GLY N N -4 109.911 115.159 -5.248 1
1 37 . 5 1 1 A 5 5 SER H H -3 8.162 7.667 0.495 1
1 38 . 5 1 1 A 5 5 SER HA H -3 4.764 4.529 0.235 1
1 41 . 5 1 1 A 5 5 SER CA C -3 56.323 56.812 -0.489 1
1 42 . 5 1 1 A 5 5 SER CB C -3 63.515 63.934 -0.419 1
1 43 . 5 1 1 A 5 5 SER N N -3 116.873 117.275 -0.402 1
1 44 . 5 1 1 A 6 6 PRO HA H -2 4.399 4.511 -0.112 1
1 47 . 5 1 1 A 6 6 PRO C C -2 176.587 176.908 -0.321 1
1 48 . 5 1 1 A 6 6 PRO CA C -2 63.552 62.851 0.701 1
1 49 . 5 1 1 A 6 6 PRO CB C -2 31.997 31.942 0.055 1
1 50 . 5 1 1 A 7 7 GLU H H -1 8.364 8.421 -0.057 1
1 51 . 5 1 1 A 7 7 GLU HA H -1 4.285 4.613 -0.328 1
1 56 . 5 1 1 A 7 7 GLU C C -1 174.954 175.813 -0.859 1
1 57 . 5 1 1 A 7 7 GLU CA C -1 56.486 56.519 -0.033 1
1 58 . 5 1 1 A 7 7 GLU CB C -1 29.924 30.213 -0.289 1
1 60 . 5 1 1 A 7 7 GLU N N -1 119.665 122.427 -2.762 1
1 61 . 5 1 1 A 8 8 PHE H H 0 7.872 8.797 -0.925 1
1 62 . 5 1 1 A 8 8 PHE HA H 0 5.204 5.259 -0.055 1
1 67 . 5 1 1 A 8 8 PHE C C 0 174.670 174.389 0.281 1
1 68 . 5 1 1 A 8 8 PHE CA C 0 56.861 56.368 0.493 1
1 69 . 5 1 1 A 8 8 PHE CB C 0 41.874 41.975 -0.101 1
1 72 . 5 1 1 A 8 8 PHE N N 0 122.497 125.396 -2.899 1
1 73 . 5 1 1 A 9 9 MET H H 1 7.833 8.026 -0.193 1
1 74 . 5 1 1 A 9 9 MET HA H 1 4.095 4.698 -0.603 1
1 82 . 5 1 1 A 9 9 MET C C 1 171.191 174.069 -2.878 1
1 83 . 5 1 1 A 9 9 MET CA C 1 54.613 53.911 0.702 1
1 84 . 5 1 1 A 9 9 MET CB C 1 34.867 35.392 -0.525 1
1 87 . 5 1 1 A 9 9 MET N N 1 127.163 127.110 0.053 1
1 88 . 5 1 1 A 10 10 GLU H H 2 7.698 8.660 -0.962 1
1 89 . 5 1 1 A 10 10 GLU HA H 2 5.603 5.079 0.524 1
1 94 . 5 1 1 A 10 10 GLU C C 2 174.743 174.730 0.013 1
1 95 . 5 1 1 A 10 10 GLU CA C 2 53.345 54.223 -0.878 1
1 96 . 5 1 1 A 10 10 GLU CB C 2 32.408 33.629 -1.221 1
1 98 . 5 1 1 A 10 10 GLU N N 2 118.654 122.847 -4.193 1
1 99 . 5 1 1 A 11 11 GLY H H 3 7.994 7.416 0.578 1
1 100 . 5 1 1 A 11 11 GLY HA2 H 3 3.115 3.744 -0.629 1
1 101 . 5 1 1 A 11 11 GLY HA3 H 3 4.377 4.192 0.185 1
1 102 . 5 1 1 A 11 11 GLY C C 3 170.878 171.779 -0.901 1
1 103 . 5 1 1 A 11 11 GLY CA C 3 45.086 45.184 -0.098 1
1 104 . 5 1 1 A 11 11 GLY N N 3 108.296 106.397 1.899 1
1 105 . 5 1 1 A 12 12 VAL H H 4 8.463 8.553 -0.090 1
1 106 . 5 1 1 A 12 12 VAL HA H 4 4.969 5.521 -0.552 1
1 114 . 5 1 1 A 12 12 VAL C C 4 177.805 174.210 3.595 1
1 115 . 5 1 1 A 12 12 VAL CA C 4 62.373 59.173 3.200 1
1 116 . 5 1 1 A 12 12 VAL CB C 4 33.152 35.328 -2.176 1
1 119 . 5 1 1 A 12 12 VAL N N 4 119.624 115.961 3.663 1
1 120 . 5 1 1 A 13 13 LEU H H 5 8.647 9.133 -0.486 1
1 121 . 5 1 1 A 13 13 LEU HA H 5 4.382 4.941 -0.559 1
1 131 . 5 1 1 A 13 13 LEU C C 5 175.407 175.724 -0.317 1
1 132 . 5 1 1 A 13 13 LEU CA C 5 54.139 53.651 0.488 1
1 133 . 5 1 1 A 13 13 LEU CB C 5 46.374 45.326 1.048 1
1 137 . 5 1 1 A 13 13 LEU N N 5 125.806 123.580 2.226 1
1 138 . 5 1 1 A 14 14 TYR H H 6 9.007 8.965 0.042 1
1 139 . 5 1 1 A 14 14 TYR HA H 6 5.026 5.138 -0.112 1
1 144 . 5 1 1 A 14 14 TYR C C 6 175.047 174.784 0.263 1
1 145 . 5 1 1 A 14 14 TYR CA C 6 57.484 59.334 -1.850 1
1 146 . 5 1 1 A 14 14 TYR CB C 6 39.400 38.822 0.578 1
1 147 . 5 1 1 A 14 14 TYR N N 6 118.975 124.841 -5.866 1
1 148 . 5 1 1 A 15 15 LYS H H 7 9.549 8.829 0.720 1
1 149 . 5 1 1 A 15 15 LYS HA H 7 5.467 5.264 0.203 1
1 158 . 5 1 1 A 15 15 LYS C C 7 175.772 176.004 -0.232 1
1 159 . 5 1 1 A 15 15 LYS CA C 7 54.136 54.847 -0.711 1
1 160 . 5 1 1 A 15 15 LYS CB C 7 37.043 35.519 1.524 1
1 164 . 5 1 1 A 15 15 LYS N N 7 123.867 128.489 -4.622 1
1 165 . 5 1 1 A 16 16 TRP H H 8 8.355 9.264 -0.909 1
1 166 . 5 1 1 A 16 16 TRP HA H 8 3.893 4.899 -1.006 1
1 175 . 5 1 1 A 16 16 TRP C C 8 176.038 176.208 -0.170 1
1 176 . 5 1 1 A 16 16 TRP CA C 8 57.880 58.390 -0.510 1
1 177 . 5 1 1 A 16 16 TRP CB C 8 29.347 30.471 -1.124 1
1 183 . 5 1 1 A 16 16 TRP N N 8 129.111 129.198 -0.087 1
1 185 . 5 1 1 A 17 17 THR H H 9 6.754 7.871 -1.117 1
1 186 . 5 1 1 A 17 17 THR HA H 9 4.127 4.361 -0.234 1
1 191 . 5 1 1 A 17 17 THR C C 9 172.153 174.012 -1.859 1
1 192 . 5 1 1 A 17 17 THR CA C 9 61.413 61.833 -0.420 1
1 193 . 5 1 1 A 17 17 THR CB C 9 69.317 69.364 -0.047 1
1 195 . 5 1 1 A 17 17 THR N N 9 121.030 117.612 3.418 1
1 196 . 5 1 1 A 18 18 ASN H H 10 7.418 6.921 0.497 1
1 197 . 5 1 1 A 18 18 ASN HA H 10 4.051 4.896 -0.845 1
1 202 . 5 1 1 A 18 18 ASN C C 10 174.308 175.211 -0.903 1
1 203 . 5 1 1 A 18 18 ASN CA C 10 52.089 51.325 0.764 1
1 204 . 5 1 1 A 18 18 ASN CB C 10 39.339 41.837 -2.498 1
1 205 . 5 1 1 A 18 18 ASN N N 10 115.655 117.227 -1.572 1
1 207 . 5 1 1 A 19 19 TYR H H 11 8.348 8.559 -0.211 1
1 208 . 5 1 1 A 19 19 TYR HA H 11 4.284 4.428 -0.144 1
1 215 . 5 1 1 A 19 19 TYR C C 11 175.974 177.283 -1.309 1
1 216 . 5 1 1 A 19 19 TYR CA C 11 60.774 60.254 0.520 1
1 217 . 5 1 1 A 19 19 TYR CB C 11 37.815 38.001 -0.186 1
1 222 . 5 1 1 A 19 19 TYR N N 11 115.508 121.277 -5.769 1
1 223 . 5 1 1 A 20 20 LEU H H 12 7.827 7.765 0.062 1
1 224 . 5 1 1 A 20 20 LEU HA H 12 4.091 4.113 -0.022 1
1 234 . 5 1 1 A 20 20 LEU C C 12 178.711 178.819 -0.108 1
1 235 . 5 1 1 A 20 20 LEU CA C 12 56.966 57.775 -0.809 1
1 236 . 5 1 1 A 20 20 LEU CB C 12 41.922 41.954 -0.032 1
1 240 . 5 1 1 A 20 20 LEU N N 12 120.867 122.458 -1.591 1
1 241 . 5 1 1 A 21 21 THR H H 13 7.651 7.757 -0.106 1
1 242 . 5 1 1 A 21 21 THR HA H 13 4.162 4.308 -0.146 1
1 247 . 5 1 1 A 21 21 THR C C 13 175.842 174.511 1.331 1
1 248 . 5 1 1 A 21 21 THR CA C 13 62.159 62.414 -0.255 1
1 249 . 5 1 1 A 21 21 THR CB C 13 69.191 70.434 -1.243 1
1 251 . 5 1 1 A 21 21 THR N N 13 108.304 107.201 1.103 1
1 252 . 5 1 1 A 22 22 GLY H H 14 7.679 8.139 -0.460 1
1 253 . 5 1 1 A 22 22 GLY HA2 H 14 2.802 3.771 -0.969 1
1 254 . 5 1 1 A 22 22 GLY HA3 H 14 3.715 3.945 -0.230 1
1 255 . 5 1 1 A 22 22 GLY C C 14 175.108 173.195 1.913 1
1 256 . 5 1 1 A 22 22 GLY CA C 14 46.131 46.364 -0.233 1
1 257 . 5 1 1 A 22 22 GLY N N 14 109.901 110.198 -0.297 1
1 258 . 5 1 1 A 23 23 TRP H H 15 8.817 8.164 0.653 1
1 259 . 5 1 1 A 23 23 TRP HA H 15 4.724 5.434 -0.710 1
1 268 . 5 1 1 A 23 23 TRP C C 15 176.569 174.273 2.296 1
1 269 . 5 1 1 A 23 23 TRP CA C 15 56.897 54.921 1.976 1
1 270 . 5 1 1 A 23 23 TRP CB C 15 29.825 32.688 -2.863 1
1 275 . 5 1 1 A 23 23 TRP N N 15 126.927 121.619 5.308 1
1 277 . 5 1 1 A 24 24 GLN H H 16 8.931 8.832 0.099 1
1 278 . 5 1 1 A 24 24 GLN HA H 16 5.186 4.212 0.974 1
1 285 . 5 1 1 A 24 24 GLN CA C 16 52.369 51.629 0.740 1
1 286 . 5 1 1 A 24 24 GLN CB C 16 31.536 30.705 0.831 1
1 288 . 5 1 1 A 24 24 GLN N N 16 122.710 119.878 2.832 1
1 290 . 5 1 1 A 25 25 PRO HA H 17 4.206 4.899 -0.693 1
1 297 . 5 1 1 A 25 25 PRO C C 17 176.918 176.068 0.850 1
1 298 . 5 1 1 A 25 25 PRO CA C 17 62.894 63.203 -0.309 1
1 299 . 5 1 1 A 25 25 PRO CB C 17 31.444 31.771 -0.327 1
1 302 . 5 1 1 A 26 26 ARG H H 18 9.041 8.756 0.285 1
1 303 . 5 1 1 A 26 26 ARG HA H 18 4.857 4.996 -0.139 1
1 310 . 5 1 1 A 26 26 ARG C C 18 173.102 174.796 -1.694 1
1 311 . 5 1 1 A 26 26 ARG CA C 18 53.273 54.986 -1.713 1
1 312 . 5 1 1 A 26 26 ARG CB C 18 34.254 33.327 0.927 1
1 315 . 5 1 1 A 26 26 ARG N N 18 123.602 123.574 0.028 1
1 316 . 5 1 1 A 27 27 TRP H H 19 8.375 8.783 -0.408 1
1 317 . 5 1 1 A 27 27 TRP HA H 19 5.077 5.212 -0.135 1
1 326 . 5 1 1 A 27 27 TRP C C 19 174.728 174.732 -0.004 1
1 327 . 5 1 1 A 27 27 TRP CA C 19 56.157 56.454 -0.297 1
1 328 . 5 1 1 A 27 27 TRP CB C 19 31.116 30.875 0.241 1
1 334 . 5 1 1 A 27 27 TRP N N 19 121.669 125.070 -3.401 1
1 336 . 5 1 1 A 28 28 PHE H H 20 9.016 9.428 -0.412 1
1 337 . 5 1 1 A 28 28 PHE HA H 20 5.385 5.615 -0.230 1
1 345 . 5 1 1 A 28 28 PHE C C 20 174.685 174.647 0.038 1
1 346 . 5 1 1 A 28 28 PHE CA C 20 56.699 56.505 0.194 1
1 347 . 5 1 1 A 28 28 PHE CB C 20 43.155 41.956 1.199 1
1 353 . 5 1 1 A 28 28 PHE N N 20 128.520 126.812 1.708 1
1 354 . 5 1 1 A 29 29 VAL H H 21 9.058 9.197 -0.139 1
1 355 . 5 1 1 A 29 29 VAL HA H 21 4.681 5.001 -0.320 1
1 363 . 5 1 1 A 29 29 VAL C C 21 174.804 173.940 0.864 1
1 364 . 5 1 1 A 29 29 VAL CA C 21 61.719 59.692 2.027 1
1 365 . 5 1 1 A 29 29 VAL CB C 21 36.416 35.494 0.922 1
1 368 . 5 1 1 A 29 29 VAL N N 21 117.562 116.357 1.205 1
1 369 . 5 1 1 A 30 30 LEU H H 22 9.543 8.905 0.638 1
1 370 . 5 1 1 A 30 30 LEU HA H 22 5.311 5.218 0.093 1
1 380 . 5 1 1 A 30 30 LEU C C 22 173.506 174.954 -1.448 1
1 381 . 5 1 1 A 30 30 LEU CA C 22 53.213 53.870 -0.657 1
1 382 . 5 1 1 A 30 30 LEU CB C 22 44.939 44.158 0.781 1
1 386 . 5 1 1 A 30 30 LEU N N 22 131.939 127.416 4.523 1
1 387 . 5 1 1 A 31 31 ASP H H 23 8.513 9.381 -0.868 1
1 388 . 5 1 1 A 31 31 ASP HA H 23 5.151 5.016 0.135 1
1 391 . 5 1 1 A 31 31 ASP C C 23 176.940 175.585 1.355 1
1 392 . 5 1 1 A 31 31 ASP CA C 23 53.671 53.914 -0.243 1
1 393 . 5 1 1 A 31 31 ASP CB C 23 43.770 43.377 0.393 1
1 394 . 5 1 1 A 31 31 ASP N N 23 121.978 125.069 -3.091 1
1 395 . 5 1 1 A 32 32 ASN H H 24 9.280 9.522 -0.242 1
1 396 . 5 1 1 A 32 32 ASN HA H 24 4.421 4.405 0.016 1
1 401 . 5 1 1 A 32 32 ASN C C 24 175.044 174.399 0.645 1
1 402 . 5 1 1 A 32 32 ASN CA C 24 54.362 54.137 0.225 1
1 403 . 5 1 1 A 32 32 ASN CB C 24 37.804 37.729 0.075 1
1 404 . 5 1 1 A 32 32 ASN N N 24 125.653 125.386 0.267 1
1 406 . 5 1 1 A 33 33 GLY H H 25 8.997 8.594 0.403 1
1 407 . 5 1 1 A 33 33 GLY HA2 H 25 3.581 3.823 -0.242 1
1 408 . 5 1 1 A 33 33 GLY HA3 H 25 4.154 3.824 0.330 1
1 409 . 5 1 1 A 33 33 GLY C C 25 173.215 173.662 -0.447 1
1 410 . 5 1 1 A 33 33 GLY CA C 25 45.930 45.443 0.487 1
1 411 . 5 1 1 A 33 33 GLY N N 25 102.623 105.003 -2.380 1
1 412 . 5 1 1 A 34 34 ILE H H 26 7.955 7.894 0.061 1
1 413 . 5 1 1 A 34 34 ILE HA H 26 4.771 4.373 0.398 1
1 423 . 5 1 1 A 34 34 ILE C C 26 174.753 174.048 0.705 1
1 424 . 5 1 1 A 34 34 ILE CA C 26 59.201 60.514 -1.313 1
1 425 . 5 1 1 A 34 34 ILE CB C 26 39.393 40.181 -0.788 1
1 429 . 5 1 1 A 34 34 ILE N N 26 122.350 123.310 -0.960 1
1 430 . 5 1 1 A 35 35 LEU H H 27 9.274 9.583 -0.309 1
1 431 . 5 1 1 A 35 35 LEU HA H 27 5.441 5.400 0.041 1
1 441 . 5 1 1 A 35 35 LEU C C 27 175.131 175.071 0.060 1
1 442 . 5 1 1 A 35 35 LEU CA C 27 53.160 53.620 -0.460 1
1 443 . 5 1 1 A 35 35 LEU CB C 27 44.532 44.701 -0.169 1
1 447 . 5 1 1 A 35 35 LEU N N 27 132.013 130.754 1.259 1
1 448 . 5 1 1 A 36 36 SER H H 28 9.668 9.316 0.352 1
1 449 . 5 1 1 A 36 36 SER HA H 28 5.379 5.139 0.240 1
1 452 . 5 1 1 A 36 36 SER C C 28 171.968 173.171 -1.203 1
1 453 . 5 1 1 A 36 36 SER CA C 28 57.345 57.469 -0.124 1
1 454 . 5 1 1 A 36 36 SER CB C 28 66.044 65.138 0.906 1
1 455 . 5 1 1 A 36 36 SER N N 28 123.682 124.981 -1.299 1
1 456 . 5 1 1 A 37 37 TYR H H 29 7.452 7.981 -0.529 1
1 457 . 5 1 1 A 37 37 TYR HA H 29 5.658 5.497 0.161 1
1 464 . 5 1 1 A 37 37 TYR C C 29 172.731 173.414 -0.683 1
1 465 . 5 1 1 A 37 37 TYR CA C 29 54.632 54.939 -0.307 1
1 466 . 5 1 1 A 37 37 TYR CB C 29 39.599 41.389 -1.790 1
1 471 . 5 1 1 A 37 37 TYR N N 29 115.554 119.832 -4.278 1
1 472 . 5 1 1 A 38 38 TYR H H 30 9.116 9.257 -0.141 1
1 473 . 5 1 1 A 38 38 TYR HA H 30 4.626 4.918 -0.292 1
1 480 . 5 1 1 A 38 38 TYR C C 30 175.771 175.768 0.003 1
1 481 . 5 1 1 A 38 38 TYR CA C 30 56.194 56.706 -0.512 1
1 482 . 5 1 1 A 38 38 TYR CB C 30 43.253 43.308 -0.055 1
1 487 . 5 1 1 A 38 38 TYR N N 30 117.937 119.326 -1.389 1
1 488 . 5 1 1 A 39 39 ASP H H 31 9.474 8.882 0.592 1
1 489 . 5 1 1 A 39 39 ASP HA H 31 4.624 4.534 0.090 1
1 492 . 5 1 1 A 39 39 ASP C C 31 176.264 176.047 0.217 1
1 493 . 5 1 1 A 39 39 ASP CA C 31 58.144 56.946 1.198 1
1 494 . 5 1 1 A 39 39 ASP CB C 31 40.399 42.466 -2.067 1
1 495 . 5 1 1 A 39 39 ASP N N 31 121.988 121.497 0.491 1
1 496 . 5 1 1 A 40 40 SER H H 32 7.511 7.645 -0.134 1
1 497 . 5 1 1 A 40 40 SER HA H 32 4.567 4.565 0.002 1
1 500 . 5 1 1 A 40 40 SER C C 32 173.752 173.718 0.034 1
1 501 . 5 1 1 A 40 40 SER CA C 32 57.211 56.552 0.659 1
1 502 . 5 1 1 A 40 40 SER CB C 32 65.547 64.596 0.951 1
1 503 . 5 1 1 A 40 40 SER N N 32 107.441 109.907 -2.466 1
1 504 . 5 1 1 A 41 41 GLN H H 33 8.828 8.311 0.517 1
1 505 . 5 1 1 A 41 41 GLN HA H 33 2.511 3.075 -0.564 1
1 512 . 5 1 1 A 41 41 GLN C C 33 177.001 176.572 0.429 1
1 513 . 5 1 1 A 41 41 GLN CA C 33 58.261 58.657 -0.396 1
1 514 . 5 1 1 A 41 41 GLN CB C 33 27.168 27.681 -0.513 1
1 516 . 5 1 1 A 41 41 GLN N N 33 123.170 124.228 -1.058 1
1 518 . 5 1 1 A 42 42 ASP H H 34 7.774 8.154 -0.380 1
1 519 . 5 1 1 A 42 42 ASP HA H 34 4.289 4.317 -0.028 1
1 522 . 5 1 1 A 42 42 ASP C C 34 176.567 177.458 -0.891 1
1 523 . 5 1 1 A 42 42 ASP CA C 34 55.710 56.926 -1.216 1
1 524 . 5 1 1 A 42 42 ASP CB C 34 40.459 41.295 -0.836 1
1 525 . 5 1 1 A 42 42 ASP N N 34 116.558 120.039 -3.481 1
1 526 . 5 1 1 A 43 43 ASP H H 35 7.388 7.608 -0.220 1
1 527 . 5 1 1 A 43 43 ASP HA H 35 4.755 4.411 0.344 1
1 530 . 5 1 1 A 43 43 ASP C C 35 177.129 178.537 -1.408 1
1 531 . 5 1 1 A 43 43 ASP CA C 35 54.563 55.919 -1.356 1
1 532 . 5 1 1 A 43 43 ASP CB C 35 42.434 40.831 1.603 1
1 533 . 5 1 1 A 43 43 ASP N N 35 117.173 118.484 -1.311 1
1 534 . 5 1 1 A 44 44 VAL H H 36 7.063 7.476 -0.413 1
1 535 . 5 1 1 A 44 44 VAL HA H 36 3.372 1.954 1.418 1
1 543 . 5 1 1 A 44 44 VAL C C 36 178.169 178.430 -0.261 1
1 544 . 5 1 1 A 44 44 VAL CA C 36 65.325 65.764 -0.439 1
1 545 . 5 1 1 A 44 44 VAL CB C 36 31.179 31.349 -0.170 1
1 548 . 5 1 1 A 44 44 VAL N N 36 121.695 118.758 2.937 1
1 549 . 5 1 1 A 45 45 CYS H H 37 8.133 8.050 0.083 1
1 550 . 5 1 1 A 45 45 CYS HA H 37 4.425 4.164 0.261 1
1 553 . 5 1 1 A 45 45 CYS C C 37 175.083 177.348 -2.265 1
1 554 . 5 1 1 A 45 45 CYS CA C 37 59.202 62.486 -3.284 1
1 555 . 5 1 1 A 45 45 CYS CB C 37 27.101 26.289 0.812 1
1 556 . 5 1 1 A 45 45 CYS N N 37 115.191 117.523 -2.332 1
1 557 . 5 1 1 A 46 46 LYS H H 38 7.844 7.642 0.202 1
1 558 . 5 1 1 A 46 46 LYS HA H 38 4.428 4.100 0.328 1
1 567 . 5 1 1 A 46 46 LYS C C 38 177.049 177.424 -0.375 1
1 568 . 5 1 1 A 46 46 LYS CA C 38 56.787 56.987 -0.200 1
1 569 . 5 1 1 A 46 46 LYS CB C 38 33.119 32.810 0.309 1
1 573 . 5 1 1 A 46 46 LYS N N 38 121.496 117.831 3.665 1
1 574 . 5 1 1 A 47 47 GLY H H 39 7.759 7.701 0.058 1
1 575 . 5 1 1 A 47 47 GLY HA2 H 39 4.022 4.071 -0.049 1
1 576 . 5 1 1 A 47 47 GLY HA3 H 39 4.542 4.106 0.436 1
1 577 . 5 1 1 A 47 47 GLY C C 39 173.037 173.205 -0.168 1
1 578 . 5 1 1 A 47 47 GLY CA C 39 44.261 44.714 -0.453 1
1 579 . 5 1 1 A 47 47 GLY N N 39 107.270 106.662 0.608 1
1 580 . 5 1 1 A 48 48 SER H H 40 8.478 8.607 -0.129 1
1 581 . 5 1 1 A 48 48 SER HA H 40 3.783 4.731 -0.948 1
1 584 . 5 1 1 A 48 48 SER C C 40 175.221 174.670 0.551 1
1 585 . 5 1 1 A 48 48 SER CA C 40 57.947 58.331 -0.384 1
1 586 . 5 1 1 A 48 48 SER CB C 40 63.811 63.866 -0.055 1
1 587 . 5 1 1 A 48 48 SER N N 40 116.121 118.047 -1.926 1
1 588 . 5 1 1 A 49 49 LYS H H 41 8.394 8.855 -0.461 1
1 589 . 5 1 1 A 49 49 LYS HA H 41 4.188 4.471 -0.283 1
1 598 . 5 1 1 A 49 49 LYS C C 41 176.470 176.580 -0.110 1
1 599 . 5 1 1 A 49 49 LYS CA C 41 55.331 56.611 -1.280 1
1 600 . 5 1 1 A 49 49 LYS CB C 41 32.293 33.136 -0.843 1
1 604 . 5 1 1 A 49 49 LYS N N 41 120.990 123.503 -2.513 1
1 605 . 5 1 1 A 50 50 GLY H H 42 6.747 7.794 -1.047 1
1 606 . 5 1 1 A 50 50 GLY HA2 H 42 3.531 4.144 -0.613 1
1 607 . 5 1 1 A 50 50 GLY HA3 H 42 3.884 4.145 -0.261 1
1 608 . 5 1 1 A 50 50 GLY C C 42 170.967 172.328 -1.361 1
1 609 . 5 1 1 A 50 50 GLY CA C 42 45.060 44.467 0.593 1
1 610 . 5 1 1 A 50 50 GLY N N 42 106.048 107.579 -1.531 1
1 611 . 5 1 1 A 51 51 SER H H 43 8.158 8.906 -0.748 1
1 612 . 5 1 1 A 51 51 SER HA H 43 5.343 4.896 0.447 1
1 615 . 5 1 1 A 51 51 SER C C 43 172.787 172.313 0.474 1
1 616 . 5 1 1 A 51 51 SER CA C 43 57.639 57.279 0.360 1
1 617 . 5 1 1 A 51 51 SER CB C 43 65.897 67.087 -1.190 1
1 618 . 5 1 1 A 51 51 SER N N 43 113.080 119.314 -6.234 1
1 619 . 5 1 1 A 52 52 ILE H H 44 9.306 9.006 0.300 1
1 620 . 5 1 1 A 52 52 ILE HA H 44 4.203 4.705 -0.502 1
1 630 . 5 1 1 A 52 52 ILE C C 44 174.340 174.476 -0.136 1
1 631 . 5 1 1 A 52 52 ILE CA C 44 60.326 60.468 -0.142 1
1 632 . 5 1 1 A 52 52 ILE CB C 44 42.302 39.617 2.685 1
1 636 . 5 1 1 A 52 52 ILE N N 44 123.385 121.965 1.420 1
1 637 . 5 1 1 A 53 53 LYS H H 45 8.495 8.742 -0.247 1
1 638 . 5 1 1 A 53 53 LYS HA H 45 4.444 4.580 -0.136 1
1 647 . 5 1 1 A 53 53 LYS C C 45 176.283 176.546 -0.263 1
1 648 . 5 1 1 A 53 53 LYS CA C 45 56.255 55.908 0.347 1
1 649 . 5 1 1 A 53 53 LYS CB C 45 32.258 32.505 -0.247 1
1 653 . 5 1 1 A 53 53 LYS N N 45 127.498 129.020 -1.522 1
1 654 . 5 1 1 A 54 54 MET H H 46 8.190 8.742 -0.552 1
1 655 . 5 1 1 A 54 54 MET HA H 46 4.585 4.131 0.454 1
1 663 . 5 1 1 A 54 54 MET C C 46 178.779 178.036 0.743 1
1 664 . 5 1 1 A 54 54 MET CA C 46 55.549 58.857 -3.308 1
1 665 . 5 1 1 A 54 54 MET CB C 46 29.465 32.302 -2.837 1
1 668 . 5 1 1 A 54 54 MET N N 46 123.817 125.327 -1.510 1
1 669 . 5 1 1 A 55 55 ALA H H 47 8.860 7.929 0.931 1
1 670 . 5 1 1 A 55 55 ALA HA H 47 4.142 4.170 -0.028 1
1 674 . 5 1 1 A 55 55 ALA C C 47 178.752 177.829 0.923 1
1 675 . 5 1 1 A 55 55 ALA CA C 47 55.004 54.271 0.733 1
1 676 . 5 1 1 A 55 55 ALA CB C 47 19.312 18.399 0.913 1
1 677 . 5 1 1 A 55 55 ALA N N 47 119.194 121.169 -1.975 1
1 678 . 5 1 1 A 56 56 VAL H H 48 7.127 8.077 -0.950 1
1 679 . 5 1 1 A 56 56 VAL HA H 48 4.592 4.366 0.226 1
1 687 . 5 1 1 A 56 56 VAL C C 48 174.965 174.990 -0.025 1
1 688 . 5 1 1 A 56 56 VAL CA C 48 60.038 61.521 -1.483 1
1 689 . 5 1 1 A 56 56 VAL CB C 48 31.878 33.754 -1.876 1
1 692 . 5 1 1 A 56 56 VAL N N 48 105.989 116.980 -10.991 1
1 693 . 5 1 1 A 57 57 CYS H H 49 7.414 7.548 -0.134 1
1 694 . 5 1 1 A 57 57 CYS HA H 49 4.897 5.037 -0.140 1
1 697 . 5 1 1 A 57 57 CYS C C 49 173.836 173.573 0.263 1
1 698 . 5 1 1 A 57 57 CYS CA C 49 58.123 57.269 0.854 1
1 699 . 5 1 1 A 57 57 CYS CB C 49 30.078 29.648 0.430 1
1 700 . 5 1 1 A 57 57 CYS N N 49 119.973 120.322 -0.349 1
1 701 . 5 1 1 A 58 58 GLU H H 50 8.852 9.352 -0.500 1
1 702 . 5 1 1 A 58 58 GLU HA H 50 4.674 4.812 -0.138 1
1 707 . 5 1 1 A 58 58 GLU C C 50 175.085 174.890 0.195 1
1 708 . 5 1 1 A 58 58 GLU CA C 50 54.809 56.030 -1.221 1
1 709 . 5 1 1 A 58 58 GLU CB C 50 31.856 30.814 1.042 1
1 711 . 5 1 1 A 58 58 GLU N N 50 124.719 124.638 0.081 1
1 712 . 5 1 1 A 59 59 ILE H H 51 8.731 8.895 -0.164 1
1 713 . 5 1 1 A 59 59 ILE HA H 51 4.625 4.950 -0.325 1
1 723 . 5 1 1 A 59 59 ILE C C 51 175.513 174.254 1.259 1
1 724 . 5 1 1 A 59 59 ILE CA C 51 60.675 60.268 0.407 1
1 725 . 5 1 1 A 59 59 ILE CB C 51 39.717 39.928 -0.211 1
1 729 . 5 1 1 A 59 59 ILE N N 51 124.286 126.384 -2.098 1
1 730 . 5 1 1 A 60 60 LYS H H 52 9.212 9.221 -0.009 1
1 731 . 5 1 1 A 60 60 LYS HA H 52 4.829 4.703 0.126 1
1 740 . 5 1 1 A 60 60 LYS C C 52 175.594 175.451 0.143 1
1 741 . 5 1 1 A 60 60 LYS CA C 52 54.490 56.015 -1.525 1
1 742 . 5 1 1 A 60 60 LYS CB C 52 34.908 32.952 1.956 1
1 746 . 5 1 1 A 60 60 LYS N N 52 128.004 129.636 -1.632 1
1 747 . 5 1 1 A 61 61 VAL H H 53 8.776 8.928 -0.152 1
1 748 . 5 1 1 A 61 61 VAL HA H 53 4.087 4.603 -0.516 1
1 756 . 5 1 1 A 61 61 VAL C C 53 175.262 175.568 -0.306 1
1 757 . 5 1 1 A 61 61 VAL CA C 53 62.067 61.484 0.583 1
1 758 . 5 1 1 A 61 61 VAL CB C 53 33.296 34.666 -1.370 1
1 761 . 5 1 1 A 61 61 VAL N N 53 124.000 124.659 -0.659 1
1 762 . 5 1 1 A 62 62 HIS H H 54 7.677 9.125 -1.448 1
1 763 . 5 1 1 A 62 62 HIS HA H 54 4.456 4.429 0.027 1
1 766 . 5 1 1 A 62 62 HIS C C 54 176.465 175.206 1.259 1
1 767 . 5 1 1 A 62 62 HIS CA C 54 57.986 57.361 0.625 1
1 768 . 5 1 1 A 62 62 HIS CB C 54 32.369 30.745 1.624 1
1 769 . 5 1 1 A 62 62 HIS N N 54 127.177 128.641 -1.464 1
1 770 . 5 1 1 A 63 63 SER H H 55 8.552 8.072 0.480 1
1 771 . 5 1 1 A 63 63 SER HA H 55 4.251 4.131 0.120 1
1 774 . 5 1 1 A 63 63 SER C C 55 174.509 174.110 0.399 1
1 775 . 5 1 1 A 63 63 SER CA C 55 60.312 60.585 -0.273 1
1 776 . 5 1 1 A 63 63 SER CB C 55 63.609 61.454 2.155 1
1 777 . 5 1 1 A 63 63 SER N N 55 120.508 112.789 7.719 1
1 778 . 5 1 1 A 64 64 ALA H H 56 8.807 7.861 0.946 1
1 779 . 5 1 1 A 64 64 ALA HA H 56 4.553 4.363 0.190 1
1 783 . 5 1 1 A 64 64 ALA C C 56 176.763 177.165 -0.402 1
1 784 . 5 1 1 A 64 64 ALA CA C 56 53.183 52.197 0.986 1
1 785 . 5 1 1 A 64 64 ALA CB C 56 20.619 20.388 0.231 1
1 786 . 5 1 1 A 64 64 ALA N N 56 124.728 121.502 3.226 1
1 787 . 5 1 1 A 65 65 ASP H H 57 8.762 7.946 0.816 1
1 788 . 5 1 1 A 65 65 ASP HA H 57 4.689 4.713 -0.024 1
1 791 . 5 1 1 A 65 65 ASP C C 57 176.322 175.904 0.418 1
1 792 . 5 1 1 A 65 65 ASP CA C 57 52.911 54.890 -1.979 1
1 793 . 5 1 1 A 65 65 ASP CB C 57 41.216 41.341 -0.125 1
1 794 . 5 1 1 A 65 65 ASP N N 57 120.574 119.162 1.412 1
1 795 . 5 1 1 A 66 66 ASN H H 58 8.457 8.860 -0.403 1
1 796 . 5 1 1 A 66 66 ASN HA H 58 4.580 4.736 -0.156 1
1 801 . 5 1 1 A 66 66 ASN C C 58 174.296 175.730 -1.434 1
1 802 . 5 1 1 A 66 66 ASN CA C 58 54.146 53.795 0.351 1
1 803 . 5 1 1 A 66 66 ASN CB C 58 37.538 38.478 -0.940 1
1 804 . 5 1 1 A 66 66 ASN N N 58 122.233 120.691 1.542 1
1 806 . 5 1 1 A 67 67 THR H H 59 8.411 8.573 -0.162 1
1 807 . 5 1 1 A 67 67 THR HA H 59 4.284 4.267 0.017 1
1 812 . 5 1 1 A 67 67 THR C C 59 175.932 173.712 2.220 1
1 813 . 5 1 1 A 67 67 THR CA C 59 62.159 63.582 -1.423 1
1 814 . 5 1 1 A 67 67 THR CB C 59 70.025 68.484 1.541 1
1 816 . 5 1 1 A 67 67 THR N N 59 104.777 118.717 -13.940 1
1 817 . 5 1 1 A 68 68 ARG H H 60 7.589 8.673 -1.084 1
1 818 . 5 1 1 A 68 68 ARG HA H 60 5.044 3.835 1.209 1
1 825 . 5 1 1 A 68 68 ARG C C 60 176.482 174.759 1.723 1
1 826 . 5 1 1 A 68 68 ARG CA C 60 56.516 56.496 0.020 1
1 827 . 5 1 1 A 68 68 ARG CB C 60 34.348 28.952 5.396 1
1 830 . 5 1 1 A 68 68 ARG N N 60 122.336 119.925 2.411 1
1 831 . 5 1 1 A 69 69 MET H H 61 9.018 8.060 0.958 1
1 832 . 5 1 1 A 69 69 MET HA H 61 4.997 5.006 -0.009 1
1 840 . 5 1 1 A 69 69 MET C C 61 172.463 173.634 -1.171 1
1 841 . 5 1 1 A 69 69 MET CA C 61 55.330 54.224 1.106 1
1 842 . 5 1 1 A 69 69 MET CB C 61 37.234 36.928 0.306 1
1 845 . 5 1 1 A 69 69 MET N N 61 119.640 121.511 -1.871 1
1 846 . 5 1 1 A 70 70 GLU H H 62 8.996 9.047 -0.051 1
1 847 . 5 1 1 A 70 70 GLU HA H 62 5.365 5.054 0.311 1
1 852 . 5 1 1 A 70 70 GLU C C 62 173.523 175.028 -1.505 1
1 853 . 5 1 1 A 70 70 GLU CA C 62 54.326 54.991 -0.665 1
1 854 . 5 1 1 A 70 70 GLU CB C 62 33.915 33.051 0.864 1
1 856 . 5 1 1 A 70 70 GLU N N 62 122.200 124.915 -2.715 1
1 857 . 5 1 1 A 71 71 LEU H H 63 8.763 9.286 -0.523 1
1 858 . 5 1 1 A 71 71 LEU HA H 63 5.222 5.356 -0.134 1
1 868 . 5 1 1 A 71 71 LEU C C 63 175.719 174.976 0.743 1
1 869 . 5 1 1 A 71 71 LEU CA C 63 53.222 53.571 -0.349 1
1 870 . 5 1 1 A 71 71 LEU CB C 63 43.781 43.046 0.735 1
1 874 . 5 1 1 A 71 71 LEU N N 63 123.741 126.827 -3.086 1
1 875 . 5 1 1 A 72 72 ILE H H 64 9.006 9.447 -0.441 1
1 876 . 5 1 1 A 72 72 ILE HA H 64 4.316 5.093 -0.777 1
1 886 . 5 1 1 A 72 72 ILE C C 64 175.349 173.404 1.945 1
1 887 . 5 1 1 A 72 72 ILE CA C 64 60.921 60.141 0.780 1
1 888 . 5 1 1 A 72 72 ILE CB C 64 39.919 41.083 -1.164 1
1 892 . 5 1 1 A 72 72 ILE N N 64 123.633 126.762 -3.129 1
1 893 . 5 1 1 A 73 73 ILE H H 65 8.601 9.057 -0.456 1
1 894 . 5 1 1 A 73 73 ILE HA H 65 4.854 4.818 0.036 1
1 904 . 5 1 1 A 73 73 ILE CA C 65 58.440 57.339 1.101 1
1 905 . 5 1 1 A 73 73 ILE CB C 65 39.820 41.167 -1.347 1
1 909 . 5 1 1 A 73 73 ILE N N 65 128.410 129.687 -1.277 1
1 910 . 5 1 1 A 74 74 PRO HA H 66 4.265 4.290 -0.025 1
1 917 . 5 1 1 A 74 74 PRO C C 66 177.170 177.457 -0.287 1
1 918 . 5 1 1 A 74 74 PRO CA C 66 64.500 64.175 0.325 1
1 919 . 5 1 1 A 74 74 PRO CB C 66 31.826 31.506 0.320 1
1 922 . 5 1 1 A 75 75 GLY H H 67 8.704 8.842 -0.138 1
1 923 . 5 1 1 A 75 75 GLY HA2 H 67 3.753 3.950 -0.197 1
1 924 . 5 1 1 A 75 75 GLY HA3 H 67 4.251 3.962 0.289 1
1 925 . 5 1 1 A 75 75 GLY C C 67 174.192 175.226 -1.034 1
1 926 . 5 1 1 A 75 75 GLY CA C 67 45.479 45.530 -0.051 1
1 927 . 5 1 1 A 75 75 GLY N N 67 111.825 112.515 -0.690 1
1 928 . 5 1 1 A 76 76 GLU H H 68 8.258 7.847 0.411 1
1 929 . 5 1 1 A 76 76 GLU HA H 68 4.483 4.541 -0.058 1
1 934 . 5 1 1 A 76 76 GLU C C 68 175.838 177.192 -1.354 1
1 935 . 5 1 1 A 76 76 GLU CA C 68 56.178 57.919 -1.741 1
1 936 . 5 1 1 A 76 76 GLU CB C 68 31.066 30.784 0.282 1
1 938 . 5 1 1 A 76 76 GLU N N 68 118.446 119.175 -0.729 1
1 939 . 5 1 1 A 77 77 GLN H H 69 8.102 8.042 0.060 1
1 940 . 5 1 1 A 77 77 GLN HA H 69 4.556 4.472 0.084 1
1 947 . 5 1 1 A 77 77 GLN C C 69 175.179 175.407 -0.228 1
1 948 . 5 1 1 A 77 77 GLN CA C 69 55.633 56.545 -0.912 1
1 949 . 5 1 1 A 77 77 GLN CB C 69 31.116 28.871 2.245 1
1 951 . 5 1 1 A 77 77 GLN N N 69 117.826 119.014 -1.188 1
1 953 . 5 1 1 A 78 78 HIS H H 70 8.857 8.932 -0.075 1
1 954 . 5 1 1 A 78 78 HIS HA H 70 4.923 4.130 0.793 1
1 957 . 5 1 1 A 78 78 HIS C C 70 173.113 173.690 -0.577 1
1 958 . 5 1 1 A 78 78 HIS CA C 70 54.623 56.627 -2.004 1
1 959 . 5 1 1 A 78 78 HIS CB C 70 30.231 28.258 1.973 1
1 960 . 5 1 1 A 78 78 HIS N N 70 120.752 118.897 1.855 1
1 961 . 5 1 1 A 79 79 PHE H H 71 9.120 7.310 1.810 1
1 962 . 5 1 1 A 79 79 PHE HA H 71 4.797 4.898 -0.101 1
1 967 . 5 1 1 A 79 79 PHE C C 71 174.341 173.545 0.796 1
1 968 . 5 1 1 A 79 79 PHE CA C 71 56.191 56.388 -0.197 1
1 969 . 5 1 1 A 79 79 PHE CB C 71 40.983 40.924 0.059 1
1 970 . 5 1 1 A 79 79 PHE N N 71 124.577 118.016 6.561 1
1 971 . 5 1 1 A 80 80 TYR H H 72 8.883 9.179 -0.296 1
1 972 . 5 1 1 A 80 80 TYR HA H 72 5.142 5.203 -0.061 1
1 979 . 5 1 1 A 80 80 TYR C C 72 175.115 174.276 0.839 1
1 980 . 5 1 1 A 80 80 TYR CA C 72 57.353 56.832 0.521 1
1 981 . 5 1 1 A 80 80 TYR CB C 72 39.753 41.676 -1.923 1
1 986 . 5 1 1 A 80 80 TYR N N 72 124.010 125.536 -1.526 1
1 987 . 5 1 1 A 81 81 MET H H 73 8.824 8.237 0.587 1
1 988 . 5 1 1 A 81 81 MET HA H 73 5.983 5.023 0.960 1
1 996 . 5 1 1 A 81 81 MET C C 73 175.053 174.335 0.718 1
1 997 . 5 1 1 A 81 81 MET CA C 73 54.453 53.847 0.606 1
1 998 . 5 1 1 A 81 81 MET CB C 73 38.584 36.418 2.166 1
1 1001 . 5 1 1 A 81 81 MET N N 73 120.151 125.324 -5.173 1
1 1002 . 5 1 1 A 82 82 LYS H H 74 9.103 8.677 0.426 1
1 1003 . 5 1 1 A 82 82 LYS HA H 74 4.800 4.654 0.146 1
1 1012 . 5 1 1 A 82 82 LYS C C 74 174.244 175.421 -1.177 1
1 1013 . 5 1 1 A 82 82 LYS CA C 74 55.314 54.685 0.629 1
1 1014 . 5 1 1 A 82 82 LYS CB C 74 36.251 35.973 0.278 1
1 1018 . 5 1 1 A 82 82 LYS N N 74 121.097 123.404 -2.307 1
1 1019 . 5 1 1 A 83 83 ALA H H 75 8.740 8.620 0.120 1
1 1020 . 5 1 1 A 83 83 ALA HA H 75 4.786 4.501 0.285 1
1 1024 . 5 1 1 A 83 83 ALA C C 75 177.126 178.459 -1.333 1
1 1025 . 5 1 1 A 83 83 ALA CA C 75 49.893 51.794 -1.901 1
1 1026 . 5 1 1 A 83 83 ALA CB C 75 21.311 20.076 1.235 1
1 1027 . 5 1 1 A 83 83 ALA N N 75 126.624 128.167 -1.543 1
1 1028 . 5 1 1 A 84 84 VAL H H 76 9.105 8.694 0.411 1
1 1029 . 5 1 1 A 84 84 VAL HA H 76 3.835 3.796 0.039 1
1 1037 . 5 1 1 A 84 84 VAL C C 76 175.635 175.974 -0.339 1
1 1038 . 5 1 1 A 84 84 VAL CA C 76 64.888 65.750 -0.862 1
1 1039 . 5 1 1 A 84 84 VAL CB C 76 32.097 31.999 0.098 1
1 1042 . 5 1 1 A 84 84 VAL N N 76 115.195 119.725 -4.530 1
1 1043 . 5 1 1 A 85 85 ASN H H 77 7.278 7.956 -0.678 1
1 1044 . 5 1 1 A 85 85 ASN HA H 77 4.476 5.021 -0.545 1
1 1049 . 5 1 1 A 85 85 ASN C C 77 174.796 175.509 -0.713 1
1 1050 . 5 1 1 A 85 85 ASN CA C 77 52.193 51.426 0.767 1
1 1051 . 5 1 1 A 85 85 ASN CB C 77 39.702 40.805 -1.103 1
1 1052 . 5 1 1 A 85 85 ASN N N 77 109.430 115.418 -5.988 1
1 1054 . 5 1 1 A 86 86 ALA H H 78 8.681 8.842 -0.161 1
1 1055 . 5 1 1 A 86 86 ALA HA H 78 4.195 4.026 0.169 1
1 1059 . 5 1 1 A 86 86 ALA C C 78 180.157 180.150 0.007 1
1 1060 . 5 1 1 A 86 86 ALA CA C 78 54.919 55.507 -0.588 1
1 1061 . 5 1 1 A 86 86 ALA CB C 78 18.721 18.106 0.615 1
1 1062 . 5 1 1 A 86 86 ALA N N 78 121.886 122.296 -0.410 1
1 1063 . 5 1 1 A 87 87 ALA H H 79 8.386 8.221 0.165 1
1 1064 . 5 1 1 A 87 87 ALA HA H 79 4.200 4.009 0.191 1
1 1068 . 5 1 1 A 87 87 ALA C C 79 181.167 180.038 1.129 1
1 1069 . 5 1 1 A 87 87 ALA CA C 79 55.195 55.221 -0.026 1
1 1070 . 5 1 1 A 87 87 ALA CB C 79 17.663 18.276 -0.613 1
1 1071 . 5 1 1 A 87 87 ALA N N 79 123.939 120.159 3.780 1
1 1072 . 5 1 1 A 88 88 GLU H H 80 8.743 8.112 0.631 1
1 1073 . 5 1 1 A 88 88 GLU HA H 80 4.260 4.086 0.174 1
1 1078 . 5 1 1 A 88 88 GLU C C 80 178.848 179.447 -0.599 1
1 1079 . 5 1 1 A 88 88 GLU CA C 80 59.191 59.423 -0.232 1
1 1080 . 5 1 1 A 88 88 GLU CB C 80 29.898 29.133 0.765 1
1 1082 . 5 1 1 A 88 88 GLU N N 80 119.694 117.938 1.756 1
1 1083 . 5 1 1 A 89 89 ARG H H 81 7.936 8.225 -0.289 1
1 1084 . 5 1 1 A 89 89 ARG HA H 81 3.780 4.093 -0.313 1
1 1087 . 5 1 1 A 89 89 ARG C C 81 177.596 178.629 -1.033 1
1 1088 . 5 1 1 A 89 89 ARG CA C 81 61.042 59.267 1.775 1
1 1089 . 5 1 1 A 89 89 ARG CB C 81 29.630 29.958 -0.328 1
1 1090 . 5 1 1 A 89 89 ARG N N 81 119.080 121.080 -2.000 1
1 1091 . 5 1 1 A 90 90 GLN H H 82 8.063 8.012 0.051 1
1 1092 . 5 1 1 A 90 90 GLN HA H 82 4.039 4.052 -0.013 1
1 1099 . 5 1 1 A 90 90 GLN C C 82 177.419 178.320 -0.901 1
1 1100 . 5 1 1 A 90 90 GLN CA C 82 59.069 59.026 0.043 1
1 1101 . 5 1 1 A 90 90 GLN CB C 82 27.786 28.442 -0.656 1
1 1103 . 5 1 1 A 90 90 GLN N N 82 118.390 118.392 -0.002 1
1 1105 . 5 1 1 A 91 91 ARG H H 83 7.700 7.371 0.329 1
1 1106 . 5 1 1 A 91 91 ARG HA H 83 3.961 3.965 -0.004 1
1 1114 . 5 1 1 A 91 91 ARG C C 83 180.016 178.995 1.021 1
1 1115 . 5 1 1 A 91 91 ARG CA C 83 59.750 59.560 0.190 1
1 1116 . 5 1 1 A 91 91 ARG CB C 83 30.401 29.780 0.621 1
1 1119 . 5 1 1 A 91 91 ARG N N 83 117.912 118.613 -0.701 1
1 1121 . 5 1 1 A 92 92 TRP H H 84 7.895 7.845 0.050 1
1 1122 . 5 1 1 A 92 92 TRP HA H 84 4.115 4.439 -0.324 1
1 1130 . 5 1 1 A 92 92 TRP C C 84 178.111 179.166 -1.055 1
1 1131 . 5 1 1 A 92 92 TRP CA C 84 61.633 59.865 1.768 1
1 1132 . 5 1 1 A 92 92 TRP CB C 84 29.032 29.335 -0.303 1
1 1137 . 5 1 1 A 92 92 TRP N N 84 119.237 121.067 -1.830 1
1 1139 . 5 1 1 A 93 93 LEU H H 85 8.988 8.667 0.321 1
1 1140 . 5 1 1 A 93 93 LEU HA H 85 3.978 4.039 -0.061 1
1 1150 . 5 1 1 A 93 93 LEU C C 85 180.925 179.795 1.130 1
1 1151 . 5 1 1 A 93 93 LEU CA C 85 58.716 57.831 0.885 1
1 1152 . 5 1 1 A 93 93 LEU CB C 85 41.506 41.255 0.251 1
1 1156 . 5 1 1 A 93 93 LEU N N 85 119.853 120.144 -0.291 1
1 1157 . 5 1 1 A 94 94 VAL H H 86 8.233 8.235 -0.002 1
1 1158 . 5 1 1 A 94 94 VAL HA H 86 3.695 3.507 0.188 1
1 1166 . 5 1 1 A 94 94 VAL C C 86 178.733 177.869 0.864 1
1 1167 . 5 1 1 A 94 94 VAL CA C 86 66.250 66.602 -0.352 1
1 1168 . 5 1 1 A 94 94 VAL CB C 86 31.886 31.507 0.379 1
1 1171 . 5 1 1 A 94 94 VAL N N 86 120.164 119.832 0.332 1
1 1172 . 5 1 1 A 95 95 ALA H H 87 7.345 7.694 -0.349 1
1 1173 . 5 1 1 A 95 95 ALA HA H 87 4.113 4.021 0.092 1
1 1177 . 5 1 1 A 95 95 ALA C C 87 180.055 180.474 -0.419 1
1 1178 . 5 1 1 A 95 95 ALA CA C 87 55.410 55.374 0.036 1
1 1179 . 5 1 1 A 95 95 ALA CB C 87 18.816 18.526 0.290 1
1 1180 . 5 1 1 A 95 95 ALA N N 87 123.818 121.684 2.134 1
1 1181 . 5 1 1 A 96 96 LEU H H 88 9.342 8.772 0.570 1
1 1182 . 5 1 1 A 96 96 LEU HA H 88 4.003 4.111 -0.108 1
1 1192 . 5 1 1 A 96 96 LEU C C 88 179.349 179.533 -0.184 1
1 1193 . 5 1 1 A 96 96 LEU CA C 88 57.786 58.300 -0.514 1
1 1194 . 5 1 1 A 96 96 LEU CB C 88 41.848 41.910 -0.062 1
1 1198 . 5 1 1 A 96 96 LEU N N 88 117.857 118.468 -0.611 1
1 1199 . 5 1 1 A 97 97 GLY H H 89 8.252 8.360 -0.108 1
1 1200 . 5 1 1 A 97 97 GLY HA2 H 89 3.819 3.848 -0.029 1
1 1201 . 5 1 1 A 97 97 GLY HA3 H 89 3.948 3.849 0.099 1
1 1202 . 5 1 1 A 97 97 GLY C C 89 176.463 176.316 0.147 1
1 1203 . 5 1 1 A 97 97 GLY CA C 89 46.620 47.328 -0.708 1
1 1204 . 5 1 1 A 97 97 GLY N N 89 105.618 106.018 -0.400 1
1 1205 . 5 1 1 A 98 98 SER H H 90 8.068 7.716 0.352 1
1 1206 . 5 1 1 A 98 98 SER HA H 90 4.377 4.163 0.214 1
1 1209 . 5 1 1 A 98 98 SER C C 90 176.144 176.519 -0.375 1
1 1210 . 5 1 1 A 98 98 SER CA C 90 60.842 61.480 -0.638 1
1 1211 . 5 1 1 A 98 98 SER CB C 90 63.116 62.597 0.519 1
1 1212 . 5 1 1 A 98 98 SER N N 90 117.602 116.659 0.943 1
1 1213 . 5 1 1 A 99 99 SER H H 91 8.036 7.668 0.368 1
1 1214 . 5 1 1 A 99 99 SER HA H 91 4.324 4.215 0.109 1
1 1217 . 5 1 1 A 99 99 SER C C 91 175.818 177.305 -1.487 1
1 1218 . 5 1 1 A 99 99 SER CA C 91 60.720 61.497 -0.777 1
1 1219 . 5 1 1 A 99 99 SER CB C 91 63.831 63.037 0.794 1
1 1220 . 5 1 1 A 99 99 SER N N 91 116.877 117.646 -0.769 1
1 1221 . 5 1 1 A 100 100 LYS H H 92 7.838 7.727 0.111 1
1 1222 . 5 1 1 A 100 100 LYS HA H 92 4.068 4.042 0.026 1
1 1231 . 5 1 1 A 100 100 LYS C C 92 177.235 177.805 -0.570 1
1 1232 . 5 1 1 A 100 100 LYS CA C 92 58.121 59.091 -0.970 1
1 1233 . 5 1 1 A 100 100 LYS CB C 92 32.263 32.077 0.186 1
1 1237 . 5 1 1 A 100 100 LYS N N 92 119.456 121.151 -1.695 1
1 1238 . 5 1 1 A 101 101 ALA H H 93 7.924 7.627 0.297 1
1 1239 . 5 1 1 A 101 101 ALA HA H 93 4.321 4.265 0.056 1
1 1243 . 5 1 1 A 101 101 ALA C C 93 178.323 178.435 -0.112 1
1 1244 . 5 1 1 A 101 101 ALA CA C 93 53.435 53.046 0.389 1
1 1245 . 5 1 1 A 101 101 ALA CB C 93 18.969 18.347 0.622 1
1 1246 . 5 1 1 A 101 101 ALA N N 93 122.054 121.134 0.920 1
1 1247 . 5 1 1 A 102 102 SER H H 94 8.061 8.585 -0.524 1
1 1248 . 5 1 1 A 102 102 SER HA H 94 4.451 4.151 0.300 1
1 1251 . 5 1 1 A 102 102 SER C C 94 174.773 174.193 0.580 1
1 1252 . 5 1 1 A 102 102 SER CA C 94 59.086 59.001 0.085 1
1 1253 . 5 1 1 A 102 102 SER CB C 94 63.766 60.829 2.937 1
1 1254 . 5 1 1 A 102 102 SER N N 94 114.102 117.992 -3.890 1
1 1255 . 5 1 1 A 103 103 LEU H H 95 8.053 7.489 0.564 1
1 1256 . 5 1 1 A 103 103 LEU HA H 95 4.507 4.530 -0.023 1
1 1266 . 5 1 1 A 103 103 LEU C C 95 177.589 176.054 1.535 1
1 1267 . 5 1 1 A 103 103 LEU CA C 95 55.398 55.131 0.267 1
1 1268 . 5 1 1 A 103 103 LEU CB C 95 42.435 43.344 -0.909 1
1 1272 . 5 1 1 A 103 103 LEU N N 95 123.264 124.134 -0.870 1
1 1273 . 5 1 1 A 104 104 THR H H 96 8.045 8.590 -0.545 1
1 1274 . 5 1 1 A 104 104 THR HA H 96 4.383 4.542 -0.159 1
1 1279 . 5 1 1 A 104 104 THR C C 96 174.128 174.024 0.104 1
1 1280 . 5 1 1 A 104 104 THR CA C 96 61.982 61.189 0.793 1
1 1281 . 5 1 1 A 104 104 THR CB C 96 69.938 70.431 -0.493 1
1 1283 . 5 1 1 A 104 104 THR N N 96 113.833 115.970 -2.137 1
1 1284 . 5 1 1 A 105 105 ASP H H 97 8.346 8.819 -0.473 1
1 1285 . 5 1 1 A 105 105 ASP HA H 97 4.740 4.573 0.167 1
1 1288 . 5 1 1 A 105 105 ASP C C 97 176.310 175.772 0.538 1
1 1289 . 5 1 1 A 105 105 ASP CA C 97 54.300 54.878 -0.578 1
1 1290 . 5 1 1 A 105 105 ASP CB C 97 41.174 40.569 0.605 1
1 1291 . 5 1 1 A 105 105 ASP N N 97 123.107 120.453 2.654 1
1 1292 . 5 1 1 A 106 106 THR H H 98 8.147 8.490 -0.343 1
1 1293 . 5 1 1 A 106 106 THR HA H 98 4.355 4.429 -0.074 1
1 1298 . 5 1 1 A 106 106 THR C C 98 174.523 174.002 0.521 1
1 1299 . 5 1 1 A 106 106 THR CA C 98 61.937 61.415 0.522 1
1 1300 . 5 1 1 A 106 106 THR CB C 98 69.656 68.022 1.634 1
1 1302 . 5 1 1 A 106 106 THR N N 98 114.857 114.823 0.034 1
1 1303 . 5 1 1 A 107 107 ARG H H 99 8.385 8.834 -0.449 1
1 1304 . 5 1 1 A 107 107 ARG HA H 99 4.442 4.423 0.019 1
1 1312 . 5 1 1 A 107 107 ARG C C 99 175.764 175.395 0.369 1
1 1313 . 5 1 1 A 107 107 ARG CA C 99 56.311 57.105 -0.794 1
1 1314 . 5 1 1 A 107 107 ARG CB C 99 30.745 30.641 0.104 1
1 1317 . 5 1 1 A 107 107 ARG N N 99 123.999 126.767 -2.768 1
1 1 . 6 1 1 A 2 2 PRO HA H -6 4.460 4.698 -0.238 1
1 8 . 6 1 1 A 2 2 PRO C C -6 176.875 175.983 0.892 1
1 9 . 6 1 1 A 2 2 PRO CA C -6 63.159 63.257 -0.098 1
1 10 . 6 1 1 A 2 2 PRO CB C -6 32.292 31.841 0.451 1
1 13 . 6 1 1 A 3 3 LEU H H -5 8.483 8.417 0.066 1
1 14 . 6 1 1 A 3 3 LEU HA H -5 4.334 4.549 -0.215 1
1 24 . 6 1 1 A 3 3 LEU C C -5 177.797 177.065 0.732 1
1 25 . 6 1 1 A 3 3 LEU CA C -5 55.474 53.859 1.615 1
1 26 . 6 1 1 A 3 3 LEU CB C -5 42.239 42.908 -0.669 1
1 30 . 6 1 1 A 3 3 LEU N N -5 122.315 124.454 -2.139 1
1 31 . 6 1 1 A 4 4 GLY H H -4 8.393 8.434 -0.041 1
1 32 . 6 1 1 A 4 4 GLY HA2 H -4 3.978 3.970 0.008 1
1 33 . 6 1 1 A 4 4 GLY HA3 H -4 3.978 3.973 0.005 1
1 34 . 6 1 1 A 4 4 GLY C C -4 173.730 174.460 -0.730 1
1 35 . 6 1 1 A 4 4 GLY CA C -4 45.158 45.037 0.121 1
1 36 . 6 1 1 A 4 4 GLY N N -4 109.911 115.238 -5.327 1
1 37 . 6 1 1 A 5 5 SER H H -3 8.162 8.056 0.106 1
1 38 . 6 1 1 A 5 5 SER HA H -3 4.764 4.545 0.219 1
1 41 . 6 1 1 A 5 5 SER CA C -3 56.323 57.061 -0.738 1
1 42 . 6 1 1 A 5 5 SER CB C -3 63.515 63.187 0.328 1
1 43 . 6 1 1 A 5 5 SER N N -3 116.873 116.039 0.834 1
1 44 . 6 1 1 A 6 6 PRO HA H -2 4.399 4.459 -0.060 1
1 47 . 6 1 1 A 6 6 PRO C C -2 176.587 176.105 0.482 1
1 48 . 6 1 1 A 6 6 PRO CA C -2 63.552 63.277 0.275 1
1 49 . 6 1 1 A 6 6 PRO CB C -2 31.997 31.674 0.323 1
1 50 . 6 1 1 A 7 7 GLU H H -1 8.364 8.698 -0.334 1
1 51 . 6 1 1 A 7 7 GLU HA H -1 4.285 4.416 -0.131 1
1 56 . 6 1 1 A 7 7 GLU C C -1 174.954 175.443 -0.489 1
1 57 . 6 1 1 A 7 7 GLU CA C -1 56.486 55.478 1.008 1
1 58 . 6 1 1 A 7 7 GLU CB C -1 29.924 28.097 1.827 1
1 60 . 6 1 1 A 7 7 GLU N N -1 119.665 123.199 -3.534 1
1 61 . 6 1 1 A 8 8 PHE H H 0 7.872 8.709 -0.837 1
1 62 . 6 1 1 A 8 8 PHE HA H 0 5.204 5.717 -0.513 1
1 67 . 6 1 1 A 8 8 PHE C C 0 174.670 173.669 1.001 1
1 68 . 6 1 1 A 8 8 PHE CA C 0 56.861 56.295 0.566 1
1 69 . 6 1 1 A 8 8 PHE CB C 0 41.874 42.389 -0.515 1
1 72 . 6 1 1 A 8 8 PHE N N 0 122.497 126.390 -3.893 1
1 73 . 6 1 1 A 9 9 MET H H 1 7.833 8.359 -0.526 1
1 74 . 6 1 1 A 9 9 MET HA H 1 4.095 4.589 -0.494 1
1 82 . 6 1 1 A 9 9 MET C C 1 171.191 174.067 -2.876 1
1 83 . 6 1 1 A 9 9 MET CA C 1 54.613 53.887 0.726 1
1 84 . 6 1 1 A 9 9 MET CB C 1 34.867 35.436 -0.569 1
1 87 . 6 1 1 A 9 9 MET N N 1 127.163 126.958 0.205 1
1 88 . 6 1 1 A 10 10 GLU H H 2 7.698 8.542 -0.844 1
1 89 . 6 1 1 A 10 10 GLU HA H 2 5.603 5.015 0.588 1
1 94 . 6 1 1 A 10 10 GLU C C 2 174.743 174.725 0.018 1
1 95 . 6 1 1 A 10 10 GLU CA C 2 53.345 54.102 -0.757 1
1 96 . 6 1 1 A 10 10 GLU CB C 2 32.408 33.794 -1.386 1
1 98 . 6 1 1 A 10 10 GLU N N 2 118.654 122.374 -3.720 1
1 99 . 6 1 1 A 11 11 GLY H H 3 7.994 7.215 0.779 1
1 100 . 6 1 1 A 11 11 GLY HA2 H 3 3.115 3.626 -0.511 1
1 101 . 6 1 1 A 11 11 GLY HA3 H 3 4.377 4.173 0.204 1
1 102 . 6 1 1 A 11 11 GLY C C 3 170.878 171.759 -0.881 1
1 103 . 6 1 1 A 11 11 GLY CA C 3 45.086 44.685 0.401 1
1 104 . 6 1 1 A 11 11 GLY N N 3 108.296 106.219 2.077 1
1 105 . 6 1 1 A 12 12 VAL H H 4 8.463 8.512 -0.049 1
1 106 . 6 1 1 A 12 12 VAL HA H 4 4.969 5.506 -0.537 1
1 114 . 6 1 1 A 12 12 VAL C C 4 177.805 174.248 3.557 1
1 115 . 6 1 1 A 12 12 VAL CA C 4 62.373 59.066 3.307 1
1 116 . 6 1 1 A 12 12 VAL CB C 4 33.152 35.130 -1.978 1
1 119 . 6 1 1 A 12 12 VAL N N 4 119.624 115.793 3.831 1
1 120 . 6 1 1 A 13 13 LEU H H 5 8.647 9.100 -0.453 1
1 121 . 6 1 1 A 13 13 LEU HA H 5 4.382 5.274 -0.892 1
1 131 . 6 1 1 A 13 13 LEU C C 5 175.407 176.276 -0.869 1
1 132 . 6 1 1 A 13 13 LEU CA C 5 54.139 53.703 0.436 1
1 133 . 6 1 1 A 13 13 LEU CB C 5 46.374 45.363 1.011 1
1 137 . 6 1 1 A 13 13 LEU N N 5 125.806 124.042 1.764 1
1 138 . 6 1 1 A 14 14 TYR H H 6 9.007 9.460 -0.453 1
1 139 . 6 1 1 A 14 14 TYR HA H 6 5.026 5.264 -0.238 1
1 144 . 6 1 1 A 14 14 TYR C C 6 175.047 175.314 -0.267 1
1 145 . 6 1 1 A 14 14 TYR CA C 6 57.484 58.805 -1.321 1
1 146 . 6 1 1 A 14 14 TYR CB C 6 39.400 37.975 1.425 1
1 147 . 6 1 1 A 14 14 TYR N N 6 118.975 122.256 -3.281 1
1 148 . 6 1 1 A 15 15 LYS H H 7 9.549 9.119 0.430 1
1 149 . 6 1 1 A 15 15 LYS HA H 7 5.467 5.149 0.318 1
1 158 . 6 1 1 A 15 15 LYS C C 7 175.772 176.507 -0.735 1
1 159 . 6 1 1 A 15 15 LYS CA C 7 54.136 55.082 -0.946 1
1 160 . 6 1 1 A 15 15 LYS CB C 7 37.043 34.045 2.998 1
1 164 . 6 1 1 A 15 15 LYS N N 7 123.867 126.393 -2.526 1
1 165 . 6 1 1 A 16 16 TRP H H 8 8.355 9.178 -0.823 1
1 166 . 6 1 1 A 16 16 TRP HA H 8 3.893 4.918 -1.025 1
1 175 . 6 1 1 A 16 16 TRP C C 8 176.038 176.467 -0.429 1
1 176 . 6 1 1 A 16 16 TRP CA C 8 57.880 58.117 -0.237 1
1 177 . 6 1 1 A 16 16 TRP CB C 8 29.347 30.589 -1.242 1
1 183 . 6 1 1 A 16 16 TRP N N 8 129.111 129.374 -0.263 1
1 185 . 6 1 1 A 17 17 THR H H 9 6.754 8.274 -1.520 1
1 186 . 6 1 1 A 17 17 THR HA H 9 4.127 4.472 -0.345 1
1 191 . 6 1 1 A 17 17 THR C C 9 172.153 174.303 -2.150 1
1 192 . 6 1 1 A 17 17 THR CA C 9 61.413 62.153 -0.740 1
1 193 . 6 1 1 A 17 17 THR CB C 9 69.317 69.442 -0.125 1
1 195 . 6 1 1 A 17 17 THR N N 9 121.030 118.264 2.766 1
1 196 . 6 1 1 A 18 18 ASN H H 10 7.418 7.068 0.350 1
1 197 . 6 1 1 A 18 18 ASN HA H 10 4.051 4.918 -0.867 1
1 202 . 6 1 1 A 18 18 ASN C C 10 174.308 174.465 -0.157 1
1 203 . 6 1 1 A 18 18 ASN CA C 10 52.089 51.938 0.151 1
1 204 . 6 1 1 A 18 18 ASN CB C 10 39.339 41.660 -2.321 1
1 205 . 6 1 1 A 18 18 ASN N N 10 115.655 117.506 -1.851 1
1 207 . 6 1 1 A 19 19 TYR H H 11 8.348 9.009 -0.661 1
1 208 . 6 1 1 A 19 19 TYR HA H 11 4.284 4.483 -0.199 1
1 215 . 6 1 1 A 19 19 TYR C C 11 175.974 177.459 -1.485 1
1 216 . 6 1 1 A 19 19 TYR CA C 11 60.774 60.267 0.507 1
1 217 . 6 1 1 A 19 19 TYR CB C 11 37.815 38.034 -0.219 1
1 222 . 6 1 1 A 19 19 TYR N N 11 115.508 123.698 -8.190 1
1 223 . 6 1 1 A 20 20 LEU H H 12 7.827 7.798 0.029 1
1 224 . 6 1 1 A 20 20 LEU HA H 12 4.091 3.906 0.185 1
1 234 . 6 1 1 A 20 20 LEU C C 12 178.711 178.736 -0.025 1
1 235 . 6 1 1 A 20 20 LEU CA C 12 56.966 57.511 -0.545 1
1 236 . 6 1 1 A 20 20 LEU CB C 12 41.922 41.532 0.390 1
1 240 . 6 1 1 A 20 20 LEU N N 12 120.867 122.305 -1.438 1
1 241 . 6 1 1 A 21 21 THR H H 13 7.651 7.608 0.043 1
1 242 . 6 1 1 A 21 21 THR HA H 13 4.162 4.259 -0.097 1
1 247 . 6 1 1 A 21 21 THR C C 13 175.842 174.306 1.536 1
1 248 . 6 1 1 A 21 21 THR CA C 13 62.159 62.390 -0.231 1
1 249 . 6 1 1 A 21 21 THR CB C 13 69.191 70.387 -1.196 1
1 251 . 6 1 1 A 21 21 THR N N 13 108.304 107.140 1.164 1
1 252 . 6 1 1 A 22 22 GLY H H 14 7.679 7.759 -0.080 1
1 253 . 6 1 1 A 22 22 GLY HA2 H 14 2.802 3.630 -0.828 1
1 254 . 6 1 1 A 22 22 GLY HA3 H 14 3.715 3.915 -0.200 1
1 255 . 6 1 1 A 22 22 GLY C C 14 175.108 173.334 1.774 1
1 256 . 6 1 1 A 22 22 GLY CA C 14 46.131 46.402 -0.271 1
1 257 . 6 1 1 A 22 22 GLY N N 14 109.901 110.118 -0.217 1
1 258 . 6 1 1 A 23 23 TRP H H 15 8.817 8.167 0.650 1
1 259 . 6 1 1 A 23 23 TRP HA H 15 4.724 5.704 -0.980 1
1 268 . 6 1 1 A 23 23 TRP C C 15 176.569 174.627 1.942 1
1 269 . 6 1 1 A 23 23 TRP CA C 15 56.897 54.831 2.066 1
1 270 . 6 1 1 A 23 23 TRP CB C 15 29.825 32.686 -2.861 1
1 275 . 6 1 1 A 23 23 TRP N N 15 126.927 121.166 5.761 1
1 277 . 6 1 1 A 24 24 GLN H H 16 8.931 9.228 -0.297 1
1 278 . 6 1 1 A 24 24 GLN HA H 16 5.186 4.389 0.797 1
1 285 . 6 1 1 A 24 24 GLN CA C 16 52.369 51.830 0.539 1
1 286 . 6 1 1 A 24 24 GLN CB C 16 31.536 30.656 0.880 1
1 288 . 6 1 1 A 24 24 GLN N N 16 122.710 119.588 3.122 1
1 290 . 6 1 1 A 25 25 PRO HA H 17 4.206 5.014 -0.808 1
1 297 . 6 1 1 A 25 25 PRO C C 17 176.918 176.083 0.835 1
1 298 . 6 1 1 A 25 25 PRO CA C 17 62.894 62.682 0.212 1
1 299 . 6 1 1 A 25 25 PRO CB C 17 31.444 30.481 0.963 1
1 302 . 6 1 1 A 26 26 ARG H H 18 9.041 8.707 0.334 1
1 303 . 6 1 1 A 26 26 ARG HA H 18 4.857 5.026 -0.169 1
1 310 . 6 1 1 A 26 26 ARG C C 18 173.102 175.112 -2.010 1
1 311 . 6 1 1 A 26 26 ARG CA C 18 53.273 55.224 -1.951 1
1 312 . 6 1 1 A 26 26 ARG CB C 18 34.254 32.640 1.614 1
1 315 . 6 1 1 A 26 26 ARG N N 18 123.602 123.418 0.184 1
1 316 . 6 1 1 A 27 27 TRP H H 19 8.375 8.349 0.026 1
1 317 . 6 1 1 A 27 27 TRP HA H 19 5.077 5.335 -0.258 1
1 326 . 6 1 1 A 27 27 TRP C C 19 174.728 174.877 -0.149 1
1 327 . 6 1 1 A 27 27 TRP CA C 19 56.157 56.511 -0.354 1
1 328 . 6 1 1 A 27 27 TRP CB C 19 31.116 31.558 -0.442 1
1 334 . 6 1 1 A 27 27 TRP N N 19 121.669 124.988 -3.319 1
1 336 . 6 1 1 A 28 28 PHE H H 20 9.016 9.297 -0.281 1
1 337 . 6 1 1 A 28 28 PHE HA H 20 5.385 5.530 -0.145 1
1 345 . 6 1 1 A 28 28 PHE C C 20 174.685 174.532 0.153 1
1 346 . 6 1 1 A 28 28 PHE CA C 20 56.699 56.453 0.246 1
1 347 . 6 1 1 A 28 28 PHE CB C 20 43.155 42.957 0.198 1
1 353 . 6 1 1 A 28 28 PHE N N 20 128.520 126.139 2.381 1
1 354 . 6 1 1 A 29 29 VAL H H 21 9.058 9.351 -0.293 1
1 355 . 6 1 1 A 29 29 VAL HA H 21 4.681 5.228 -0.547 1
1 363 . 6 1 1 A 29 29 VAL C C 21 174.804 173.810 0.994 1
1 364 . 6 1 1 A 29 29 VAL CA C 21 61.719 59.933 1.786 1
1 365 . 6 1 1 A 29 29 VAL CB C 21 36.416 35.940 0.476 1
1 368 . 6 1 1 A 29 29 VAL N N 21 117.562 116.312 1.250 1
1 369 . 6 1 1 A 30 30 LEU H H 22 9.543 9.204 0.339 1
1 370 . 6 1 1 A 30 30 LEU HA H 22 5.311 5.211 0.100 1
1 380 . 6 1 1 A 30 30 LEU C C 22 173.506 175.128 -1.622 1
1 381 . 6 1 1 A 30 30 LEU CA C 22 53.213 53.942 -0.729 1
1 382 . 6 1 1 A 30 30 LEU CB C 22 44.939 44.080 0.859 1
1 386 . 6 1 1 A 30 30 LEU N N 22 131.939 127.369 4.570 1
1 387 . 6 1 1 A 31 31 ASP H H 23 8.513 9.362 -0.849 1
1 388 . 6 1 1 A 31 31 ASP HA H 23 5.151 5.145 0.006 1
1 391 . 6 1 1 A 31 31 ASP C C 23 176.940 175.569 1.371 1
1 392 . 6 1 1 A 31 31 ASP CA C 23 53.671 53.727 -0.056 1
1 393 . 6 1 1 A 31 31 ASP CB C 23 43.770 43.265 0.505 1
1 394 . 6 1 1 A 31 31 ASP N N 23 121.978 125.000 -3.022 1
1 395 . 6 1 1 A 32 32 ASN H H 24 9.280 9.122 0.158 1
1 396 . 6 1 1 A 32 32 ASN HA H 24 4.421 4.400 0.021 1
1 401 . 6 1 1 A 32 32 ASN C C 24 175.044 174.575 0.469 1
1 402 . 6 1 1 A 32 32 ASN CA C 24 54.362 54.108 0.254 1
1 403 . 6 1 1 A 32 32 ASN CB C 24 37.804 37.558 0.246 1
1 404 . 6 1 1 A 32 32 ASN N N 24 125.653 125.305 0.348 1
1 406 . 6 1 1 A 33 33 GLY H H 25 8.997 8.939 0.058 1
1 407 . 6 1 1 A 33 33 GLY HA2 H 25 3.581 3.844 -0.263 1
1 408 . 6 1 1 A 33 33 GLY HA3 H 25 4.154 3.844 0.310 1
1 409 . 6 1 1 A 33 33 GLY C C 25 173.215 173.766 -0.551 1
1 410 . 6 1 1 A 33 33 GLY CA C 25 45.930 45.512 0.418 1
1 411 . 6 1 1 A 33 33 GLY N N 25 102.623 104.631 -2.008 1
1 412 . 6 1 1 A 34 34 ILE H H 26 7.955 7.713 0.242 1
1 413 . 6 1 1 A 34 34 ILE HA H 26 4.771 4.421 0.350 1
1 423 . 6 1 1 A 34 34 ILE C C 26 174.753 174.027 0.726 1
1 424 . 6 1 1 A 34 34 ILE CA C 26 59.201 60.304 -1.103 1
1 425 . 6 1 1 A 34 34 ILE CB C 26 39.393 40.493 -1.100 1
1 429 . 6 1 1 A 34 34 ILE N N 26 122.350 123.243 -0.893 1
1 430 . 6 1 1 A 35 35 LEU H H 27 9.274 9.426 -0.152 1
1 431 . 6 1 1 A 35 35 LEU HA H 27 5.441 5.327 0.114 1
1 441 . 6 1 1 A 35 35 LEU C C 27 175.131 174.973 0.158 1
1 442 . 6 1 1 A 35 35 LEU CA C 27 53.160 53.697 -0.537 1
1 443 . 6 1 1 A 35 35 LEU CB C 27 44.532 44.711 -0.179 1
1 447 . 6 1 1 A 35 35 LEU N N 27 132.013 130.743 1.270 1
1 448 . 6 1 1 A 36 36 SER H H 28 9.668 9.438 0.230 1
1 449 . 6 1 1 A 36 36 SER HA H 28 5.379 5.246 0.133 1
1 452 . 6 1 1 A 36 36 SER C C 28 171.968 173.618 -1.650 1
1 453 . 6 1 1 A 36 36 SER CA C 28 57.345 57.605 -0.260 1
1 454 . 6 1 1 A 36 36 SER CB C 28 66.044 64.989 1.055 1
1 455 . 6 1 1 A 36 36 SER N N 28 123.682 125.007 -1.325 1
1 456 . 6 1 1 A 37 37 TYR H H 29 7.452 8.270 -0.818 1
1 457 . 6 1 1 A 37 37 TYR HA H 29 5.658 5.643 0.015 1
1 464 . 6 1 1 A 37 37 TYR C C 29 172.731 173.962 -1.231 1
1 465 . 6 1 1 A 37 37 TYR CA C 29 54.632 54.970 -0.338 1
1 466 . 6 1 1 A 37 37 TYR CB C 29 39.599 41.567 -1.968 1
1 471 . 6 1 1 A 37 37 TYR N N 29 115.554 120.611 -5.057 1
1 472 . 6 1 1 A 38 38 TYR H H 30 9.116 9.252 -0.136 1
1 473 . 6 1 1 A 38 38 TYR HA H 30 4.626 4.898 -0.272 1
1 480 . 6 1 1 A 38 38 TYR C C 30 175.771 175.314 0.457 1
1 481 . 6 1 1 A 38 38 TYR CA C 30 56.194 56.910 -0.716 1
1 482 . 6 1 1 A 38 38 TYR CB C 30 43.253 42.958 0.295 1
1 487 . 6 1 1 A 38 38 TYR N N 30 117.937 119.629 -1.692 1
1 488 . 6 1 1 A 39 39 ASP H H 31 9.474 9.279 0.195 1
1 489 . 6 1 1 A 39 39 ASP HA H 31 4.624 4.608 0.016 1
1 492 . 6 1 1 A 39 39 ASP C C 31 176.264 176.040 0.224 1
1 493 . 6 1 1 A 39 39 ASP CA C 31 58.144 56.328 1.816 1
1 494 . 6 1 1 A 39 39 ASP CB C 31 40.399 41.661 -1.262 1
1 495 . 6 1 1 A 39 39 ASP N N 31 121.988 122.189 -0.201 1
1 496 . 6 1 1 A 40 40 SER H H 32 7.511 8.046 -0.535 1
1 497 . 6 1 1 A 40 40 SER HA H 32 4.567 4.639 -0.072 1
1 500 . 6 1 1 A 40 40 SER C C 32 173.752 174.343 -0.591 1
1 501 . 6 1 1 A 40 40 SER CA C 32 57.211 56.961 0.250 1
1 502 . 6 1 1 A 40 40 SER CB C 32 65.547 64.953 0.594 1
1 503 . 6 1 1 A 40 40 SER N N 32 107.441 109.380 -1.939 1
1 504 . 6 1 1 A 41 41 GLN H H 33 8.828 8.437 0.391 1
1 505 . 6 1 1 A 41 41 GLN HA H 33 2.511 3.040 -0.529 1
1 512 . 6 1 1 A 41 41 GLN C C 33 177.001 176.387 0.614 1
1 513 . 6 1 1 A 41 41 GLN CA C 33 58.261 58.697 -0.436 1
1 514 . 6 1 1 A 41 41 GLN CB C 33 27.168 27.744 -0.576 1
1 516 . 6 1 1 A 41 41 GLN N N 33 123.170 120.741 2.429 1
1 518 . 6 1 1 A 42 42 ASP H H 34 7.774 8.211 -0.437 1
1 519 . 6 1 1 A 42 42 ASP HA H 34 4.289 4.237 0.052 1
1 522 . 6 1 1 A 42 42 ASP C C 34 176.567 177.989 -1.422 1
1 523 . 6 1 1 A 42 42 ASP CA C 34 55.710 57.609 -1.899 1
1 524 . 6 1 1 A 42 42 ASP CB C 34 40.459 41.458 -0.999 1
1 525 . 6 1 1 A 42 42 ASP N N 34 116.558 119.669 -3.111 1
1 526 . 6 1 1 A 43 43 ASP H H 35 7.388 8.098 -0.710 1
1 527 . 6 1 1 A 43 43 ASP HA H 35 4.755 4.393 0.362 1
1 530 . 6 1 1 A 43 43 ASP C C 35 177.129 178.742 -1.613 1
1 531 . 6 1 1 A 43 43 ASP CA C 35 54.563 56.353 -1.790 1
1 532 . 6 1 1 A 43 43 ASP CB C 35 42.434 41.613 0.821 1
1 533 . 6 1 1 A 43 43 ASP N N 35 117.173 119.481 -2.308 1
1 534 . 6 1 1 A 44 44 VAL H H 36 7.063 7.522 -0.459 1
1 535 . 6 1 1 A 44 44 VAL HA H 36 3.372 2.149 1.223 1
1 543 . 6 1 1 A 44 44 VAL C C 36 178.169 177.613 0.556 1
1 544 . 6 1 1 A 44 44 VAL CA C 36 65.325 65.739 -0.414 1
1 545 . 6 1 1 A 44 44 VAL CB C 36 31.179 31.011 0.168 1
1 548 . 6 1 1 A 44 44 VAL N N 36 121.695 119.051 2.644 1
1 549 . 6 1 1 A 45 45 CYS H H 37 8.133 7.664 0.469 1
1 550 . 6 1 1 A 45 45 CYS HA H 37 4.425 4.188 0.237 1
1 553 . 6 1 1 A 45 45 CYS C C 37 175.083 177.024 -1.941 1
1 554 . 6 1 1 A 45 45 CYS CA C 37 59.202 61.983 -2.781 1
1 555 . 6 1 1 A 45 45 CYS CB C 37 27.101 27.032 0.069 1
1 556 . 6 1 1 A 45 45 CYS N N 37 115.191 119.078 -3.887 1
1 557 . 6 1 1 A 46 46 LYS H H 38 7.844 7.618 0.226 1
1 558 . 6 1 1 A 46 46 LYS HA H 38 4.428 4.051 0.377 1
1 567 . 6 1 1 A 46 46 LYS C C 38 177.049 177.340 -0.291 1
1 568 . 6 1 1 A 46 46 LYS CA C 38 56.787 57.716 -0.929 1
1 569 . 6 1 1 A 46 46 LYS CB C 38 33.119 33.060 0.059 1
1 573 . 6 1 1 A 46 46 LYS N N 38 121.496 117.875 3.621 1
1 574 . 6 1 1 A 47 47 GLY H H 39 7.759 7.605 0.154 1
1 575 . 6 1 1 A 47 47 GLY HA2 H 39 4.022 4.118 -0.096 1
1 576 . 6 1 1 A 47 47 GLY HA3 H 39 4.542 4.226 0.316 1
1 577 . 6 1 1 A 47 47 GLY C C 39 173.037 173.044 -0.007 1
1 578 . 6 1 1 A 47 47 GLY CA C 39 44.261 44.876 -0.615 1
1 579 . 6 1 1 A 47 47 GLY N N 39 107.270 105.912 1.358 1
1 580 . 6 1 1 A 48 48 SER H H 40 8.478 8.572 -0.094 1
1 581 . 6 1 1 A 48 48 SER HA H 40 3.783 4.648 -0.865 1
1 584 . 6 1 1 A 48 48 SER C C 40 175.221 175.343 -0.122 1
1 585 . 6 1 1 A 48 48 SER CA C 40 57.947 58.302 -0.355 1
1 586 . 6 1 1 A 48 48 SER CB C 40 63.811 63.952 -0.141 1
1 587 . 6 1 1 A 48 48 SER N N 40 116.121 117.496 -1.375 1
1 588 . 6 1 1 A 49 49 LYS H H 41 8.394 8.755 -0.361 1
1 589 . 6 1 1 A 49 49 LYS HA H 41 4.188 4.451 -0.263 1
1 598 . 6 1 1 A 49 49 LYS C C 41 176.470 176.667 -0.197 1
1 599 . 6 1 1 A 49 49 LYS CA C 41 55.331 56.627 -1.296 1
1 600 . 6 1 1 A 49 49 LYS CB C 41 32.293 33.014 -0.721 1
1 604 . 6 1 1 A 49 49 LYS N N 41 120.990 122.968 -1.978 1
1 605 . 6 1 1 A 50 50 GLY H H 42 6.747 7.687 -0.940 1
1 606 . 6 1 1 A 50 50 GLY HA2 H 42 3.531 4.113 -0.582 1
1 607 . 6 1 1 A 50 50 GLY HA3 H 42 3.884 4.141 -0.257 1
1 608 . 6 1 1 A 50 50 GLY C C 42 170.967 171.909 -0.942 1
1 609 . 6 1 1 A 50 50 GLY CA C 42 45.060 44.325 0.735 1
1 610 . 6 1 1 A 50 50 GLY N N 42 106.048 107.047 -0.999 1
1 611 . 6 1 1 A 51 51 SER H H 43 8.158 8.887 -0.729 1
1 612 . 6 1 1 A 51 51 SER HA H 43 5.343 5.133 0.210 1
1 615 . 6 1 1 A 51 51 SER C C 43 172.787 172.492 0.295 1
1 616 . 6 1 1 A 51 51 SER CA C 43 57.639 57.259 0.380 1
1 617 . 6 1 1 A 51 51 SER CB C 43 65.897 66.879 -0.982 1
1 618 . 6 1 1 A 51 51 SER N N 43 113.080 119.689 -6.609 1
1 619 . 6 1 1 A 52 52 ILE H H 44 9.306 9.230 0.076 1
1 620 . 6 1 1 A 52 52 ILE HA H 44 4.203 4.756 -0.553 1
1 630 . 6 1 1 A 52 52 ILE C C 44 174.340 174.756 -0.416 1
1 631 . 6 1 1 A 52 52 ILE CA C 44 60.326 60.463 -0.137 1
1 632 . 6 1 1 A 52 52 ILE CB C 44 42.302 39.133 3.169 1
1 636 . 6 1 1 A 52 52 ILE N N 44 123.385 122.228 1.157 1
1 637 . 6 1 1 A 53 53 LYS H H 45 8.495 8.738 -0.243 1
1 638 . 6 1 1 A 53 53 LYS HA H 45 4.444 4.617 -0.173 1
1 647 . 6 1 1 A 53 53 LYS C C 45 176.283 176.361 -0.078 1
1 648 . 6 1 1 A 53 53 LYS CA C 45 56.255 56.364 -0.109 1
1 649 . 6 1 1 A 53 53 LYS CB C 45 32.258 32.600 -0.342 1
1 653 . 6 1 1 A 53 53 LYS N N 45 127.498 129.206 -1.708 1
1 654 . 6 1 1 A 54 54 MET H H 46 8.190 8.378 -0.188 1
1 655 . 6 1 1 A 54 54 MET HA H 46 4.585 4.141 0.444 1
1 663 . 6 1 1 A 54 54 MET C C 46 178.779 178.204 0.575 1
1 664 . 6 1 1 A 54 54 MET CA C 46 55.549 58.826 -3.277 1
1 665 . 6 1 1 A 54 54 MET CB C 46 29.465 31.963 -2.498 1
1 668 . 6 1 1 A 54 54 MET N N 46 123.817 125.629 -1.812 1
1 669 . 6 1 1 A 55 55 ALA H H 47 8.860 8.073 0.787 1
1 670 . 6 1 1 A 55 55 ALA HA H 47 4.142 4.171 -0.029 1
1 674 . 6 1 1 A 55 55 ALA C C 47 178.752 177.955 0.797 1
1 675 . 6 1 1 A 55 55 ALA CA C 47 55.004 54.289 0.715 1
1 676 . 6 1 1 A 55 55 ALA CB C 47 19.312 18.472 0.840 1
1 677 . 6 1 1 A 55 55 ALA N N 47 119.194 120.924 -1.730 1
1 678 . 6 1 1 A 56 56 VAL H H 48 7.127 7.998 -0.871 1
1 679 . 6 1 1 A 56 56 VAL HA H 48 4.592 4.375 0.217 1
1 687 . 6 1 1 A 56 56 VAL C C 48 174.965 175.592 -0.627 1
1 688 . 6 1 1 A 56 56 VAL CA C 48 60.038 61.702 -1.664 1
1 689 . 6 1 1 A 56 56 VAL CB C 48 31.878 34.153 -2.275 1
1 692 . 6 1 1 A 56 56 VAL N N 48 105.989 116.707 -10.718 1
1 693 . 6 1 1 A 57 57 CYS H H 49 7.414 7.632 -0.218 1
1 694 . 6 1 1 A 57 57 CYS HA H 49 4.897 5.109 -0.212 1
1 697 . 6 1 1 A 57 57 CYS C C 49 173.836 173.458 0.378 1
1 698 . 6 1 1 A 57 57 CYS CA C 49 58.123 57.081 1.042 1
1 699 . 6 1 1 A 57 57 CYS CB C 49 30.078 30.519 -0.441 1
1 700 . 6 1 1 A 57 57 CYS N N 49 119.973 121.356 -1.383 1
1 701 . 6 1 1 A 58 58 GLU H H 50 8.852 9.377 -0.525 1
1 702 . 6 1 1 A 58 58 GLU HA H 50 4.674 4.692 -0.018 1
1 707 . 6 1 1 A 58 58 GLU C C 50 175.085 175.114 -0.029 1
1 708 . 6 1 1 A 58 58 GLU CA C 50 54.809 56.119 -1.310 1
1 709 . 6 1 1 A 58 58 GLU CB C 50 31.856 30.790 1.066 1
1 711 . 6 1 1 A 58 58 GLU N N 50 124.719 126.053 -1.334 1
1 712 . 6 1 1 A 59 59 ILE H H 51 8.731 8.811 -0.080 1
1 713 . 6 1 1 A 59 59 ILE HA H 51 4.625 4.879 -0.254 1
1 723 . 6 1 1 A 59 59 ILE C C 51 175.513 174.294 1.219 1
1 724 . 6 1 1 A 59 59 ILE CA C 51 60.675 60.194 0.481 1
1 725 . 6 1 1 A 59 59 ILE CB C 51 39.717 39.888 -0.171 1
1 729 . 6 1 1 A 59 59 ILE N N 51 124.286 125.471 -1.185 1
1 730 . 6 1 1 A 60 60 LYS H H 52 9.212 9.180 0.032 1
1 731 . 6 1 1 A 60 60 LYS HA H 52 4.829 4.703 0.126 1
1 740 . 6 1 1 A 60 60 LYS C C 52 175.594 175.319 0.275 1
1 741 . 6 1 1 A 60 60 LYS CA C 52 54.490 56.071 -1.581 1
1 742 . 6 1 1 A 60 60 LYS CB C 52 34.908 32.942 1.966 1
1 746 . 6 1 1 A 60 60 LYS N N 52 128.004 129.131 -1.127 1
1 747 . 6 1 1 A 61 61 VAL H H 53 8.776 8.696 0.080 1
1 748 . 6 1 1 A 61 61 VAL HA H 53 4.087 4.645 -0.558 1
1 756 . 6 1 1 A 61 61 VAL C C 53 175.262 173.946 1.316 1
1 757 . 6 1 1 A 61 61 VAL CA C 53 62.067 61.350 0.717 1
1 758 . 6 1 1 A 61 61 VAL CB C 53 33.296 34.475 -1.179 1
1 761 . 6 1 1 A 61 61 VAL N N 53 124.000 124.163 -0.163 1
1 762 . 6 1 1 A 62 62 HIS H H 54 7.677 9.027 -1.350 1
1 763 . 6 1 1 A 62 62 HIS HA H 54 4.456 5.166 -0.710 1
1 766 . 6 1 1 A 62 62 HIS C C 54 176.465 174.240 2.225 1
1 767 . 6 1 1 A 62 62 HIS CA C 54 57.986 54.717 3.269 1
1 768 . 6 1 1 A 62 62 HIS CB C 54 32.369 33.027 -0.658 1
1 769 . 6 1 1 A 62 62 HIS N N 54 127.177 128.124 -0.947 1
1 770 . 6 1 1 A 63 63 SER H H 55 8.552 8.411 0.141 1
1 771 . 6 1 1 A 63 63 SER HA H 55 4.251 4.435 -0.184 1
1 774 . 6 1 1 A 63 63 SER C C 55 174.509 172.603 1.906 1
1 775 . 6 1 1 A 63 63 SER CA C 55 60.312 57.991 2.321 1
1 776 . 6 1 1 A 63 63 SER CB C 55 63.609 61.093 2.516 1
1 777 . 6 1 1 A 63 63 SER N N 55 120.508 120.078 0.430 1
1 778 . 6 1 1 A 64 64 ALA H H 56 8.807 8.265 0.542 1
1 779 . 6 1 1 A 64 64 ALA HA H 56 4.553 5.094 -0.541 1
1 783 . 6 1 1 A 64 64 ALA C C 56 176.763 174.945 1.818 1
1 784 . 6 1 1 A 64 64 ALA CA C 56 53.183 50.838 2.345 1
1 785 . 6 1 1 A 64 64 ALA CB C 56 20.619 21.543 -0.924 1
1 786 . 6 1 1 A 64 64 ALA N N 56 124.728 124.302 0.426 1
1 787 . 6 1 1 A 65 65 ASP H H 57 8.762 9.071 -0.309 1
1 788 . 6 1 1 A 65 65 ASP HA H 57 4.689 4.924 -0.235 1
1 791 . 6 1 1 A 65 65 ASP C C 57 176.322 174.947 1.375 1
1 792 . 6 1 1 A 65 65 ASP CA C 57 52.911 53.314 -0.403 1
1 793 . 6 1 1 A 65 65 ASP CB C 57 41.216 41.604 -0.388 1
1 794 . 6 1 1 A 65 65 ASP N N 57 120.574 125.743 -5.169 1
1 795 . 6 1 1 A 66 66 ASN H H 58 8.457 8.629 -0.172 1
1 796 . 6 1 1 A 66 66 ASN HA H 58 4.580 5.165 -0.585 1
1 801 . 6 1 1 A 66 66 ASN C C 58 174.296 173.721 0.575 1
1 802 . 6 1 1 A 66 66 ASN CA C 58 54.146 52.709 1.437 1
1 803 . 6 1 1 A 66 66 ASN CB C 58 37.538 42.039 -4.501 1
1 804 . 6 1 1 A 66 66 ASN N N 58 122.233 122.896 -0.663 1
1 806 . 6 1 1 A 67 67 THR H H 59 8.411 8.340 0.071 1
1 807 . 6 1 1 A 67 67 THR HA H 59 4.284 4.273 0.011 1
1 812 . 6 1 1 A 67 67 THR C C 59 175.932 173.960 1.972 1
1 813 . 6 1 1 A 67 67 THR CA C 59 62.159 61.417 0.742 1
1 814 . 6 1 1 A 67 67 THR CB C 59 70.025 67.898 2.127 1
1 816 . 6 1 1 A 67 67 THR N N 59 104.777 115.310 -10.533 1
1 817 . 6 1 1 A 68 68 ARG H H 60 7.589 8.265 -0.676 1
1 818 . 6 1 1 A 68 68 ARG HA H 60 5.044 5.065 -0.021 1
1 825 . 6 1 1 A 68 68 ARG C C 60 176.482 174.499 1.983 1
1 826 . 6 1 1 A 68 68 ARG CA C 60 56.516 54.881 1.635 1
1 827 . 6 1 1 A 68 68 ARG CB C 60 34.348 33.024 1.324 1
1 830 . 6 1 1 A 68 68 ARG N N 60 122.336 123.741 -1.405 1
1 831 . 6 1 1 A 69 69 MET H H 61 9.018 8.123 0.895 1
1 832 . 6 1 1 A 69 69 MET HA H 61 4.997 5.180 -0.183 1
1 840 . 6 1 1 A 69 69 MET C C 61 172.463 174.596 -2.133 1
1 841 . 6 1 1 A 69 69 MET CA C 61 55.330 53.972 1.358 1
1 842 . 6 1 1 A 69 69 MET CB C 61 37.234 37.501 -0.267 1
1 845 . 6 1 1 A 69 69 MET N N 61 119.640 122.241 -2.601 1
1 846 . 6 1 1 A 70 70 GLU H H 62 8.996 8.897 0.099 1
1 847 . 6 1 1 A 70 70 GLU HA H 62 5.365 5.139 0.226 1
1 852 . 6 1 1 A 70 70 GLU C C 62 173.523 174.782 -1.259 1
1 853 . 6 1 1 A 70 70 GLU CA C 62 54.326 54.853 -0.527 1
1 854 . 6 1 1 A 70 70 GLU CB C 62 33.915 33.466 0.449 1
1 856 . 6 1 1 A 70 70 GLU N N 62 122.200 123.641 -1.441 1
1 857 . 6 1 1 A 71 71 LEU H H 63 8.763 9.043 -0.280 1
1 858 . 6 1 1 A 71 71 LEU HA H 63 5.222 5.277 -0.055 1
1 868 . 6 1 1 A 71 71 LEU C C 63 175.719 174.967 0.752 1
1 869 . 6 1 1 A 71 71 LEU CA C 63 53.222 53.617 -0.395 1
1 870 . 6 1 1 A 71 71 LEU CB C 63 43.781 42.798 0.983 1
1 874 . 6 1 1 A 71 71 LEU N N 63 123.741 127.251 -3.510 1
1 875 . 6 1 1 A 72 72 ILE H H 64 9.006 9.328 -0.322 1
1 876 . 6 1 1 A 72 72 ILE HA H 64 4.316 5.106 -0.790 1
1 886 . 6 1 1 A 72 72 ILE C C 64 175.349 173.458 1.891 1
1 887 . 6 1 1 A 72 72 ILE CA C 64 60.921 60.311 0.610 1
1 888 . 6 1 1 A 72 72 ILE CB C 64 39.919 40.958 -1.039 1
1 892 . 6 1 1 A 72 72 ILE N N 64 123.633 126.746 -3.113 1
1 893 . 6 1 1 A 73 73 ILE H H 65 8.601 9.050 -0.449 1
1 894 . 6 1 1 A 73 73 ILE HA H 65 4.854 4.790 0.064 1
1 904 . 6 1 1 A 73 73 ILE CA C 65 58.440 57.377 1.063 1
1 905 . 6 1 1 A 73 73 ILE CB C 65 39.820 41.194 -1.374 1
1 909 . 6 1 1 A 73 73 ILE N N 65 128.410 129.616 -1.206 1
1 910 . 6 1 1 A 74 74 PRO HA H 66 4.265 4.295 -0.030 1
1 917 . 6 1 1 A 74 74 PRO C C 66 177.170 177.485 -0.315 1
1 918 . 6 1 1 A 74 74 PRO CA C 66 64.500 64.206 0.294 1
1 919 . 6 1 1 A 74 74 PRO CB C 66 31.826 31.553 0.273 1
1 922 . 6 1 1 A 75 75 GLY H H 67 8.704 8.829 -0.125 1
1 923 . 6 1 1 A 75 75 GLY HA2 H 67 3.753 3.922 -0.169 1
1 924 . 6 1 1 A 75 75 GLY HA3 H 67 4.251 3.931 0.320 1
1 925 . 6 1 1 A 75 75 GLY C C 67 174.192 175.412 -1.220 1
1 926 . 6 1 1 A 75 75 GLY CA C 67 45.479 45.513 -0.034 1
1 927 . 6 1 1 A 75 75 GLY N N 67 111.825 112.709 -0.884 1
1 928 . 6 1 1 A 76 76 GLU H H 68 8.258 7.862 0.396 1
1 929 . 6 1 1 A 76 76 GLU HA H 68 4.483 4.378 0.105 1
1 934 . 6 1 1 A 76 76 GLU C C 68 175.838 177.015 -1.177 1
1 935 . 6 1 1 A 76 76 GLU CA C 68 56.178 58.965 -2.787 1
1 936 . 6 1 1 A 76 76 GLU CB C 68 31.066 30.064 1.002 1
1 938 . 6 1 1 A 76 76 GLU N N 68 118.446 119.445 -0.999 1
1 939 . 6 1 1 A 77 77 GLN H H 69 8.102 7.929 0.173 1
1 940 . 6 1 1 A 77 77 GLN HA H 69 4.556 4.422 0.134 1
1 947 . 6 1 1 A 77 77 GLN C C 69 175.179 175.339 -0.160 1
1 948 . 6 1 1 A 77 77 GLN CA C 69 55.633 56.823 -1.190 1
1 949 . 6 1 1 A 77 77 GLN CB C 69 31.116 29.015 2.101 1
1 951 . 6 1 1 A 77 77 GLN N N 69 117.826 119.454 -1.628 1
1 953 . 6 1 1 A 78 78 HIS H H 70 8.857 8.899 -0.042 1
1 954 . 6 1 1 A 78 78 HIS HA H 70 4.923 4.165 0.758 1
1 957 . 6 1 1 A 78 78 HIS C C 70 173.113 173.667 -0.554 1
1 958 . 6 1 1 A 78 78 HIS CA C 70 54.623 56.835 -2.212 1
1 959 . 6 1 1 A 78 78 HIS CB C 70 30.231 28.870 1.361 1
1 960 . 6 1 1 A 78 78 HIS N N 70 120.752 118.643 2.109 1
1 961 . 6 1 1 A 79 79 PHE H H 71 9.120 7.770 1.350 1
1 962 . 6 1 1 A 79 79 PHE HA H 71 4.797 5.048 -0.251 1
1 967 . 6 1 1 A 79 79 PHE C C 71 174.341 173.732 0.609 1
1 968 . 6 1 1 A 79 79 PHE CA C 71 56.191 56.409 -0.218 1
1 969 . 6 1 1 A 79 79 PHE CB C 71 40.983 39.988 0.995 1
1 970 . 6 1 1 A 79 79 PHE N N 71 124.577 119.058 5.519 1
1 971 . 6 1 1 A 80 80 TYR H H 72 8.883 9.114 -0.231 1
1 972 . 6 1 1 A 80 80 TYR HA H 72 5.142 5.289 -0.147 1
1 979 . 6 1 1 A 80 80 TYR C C 72 175.115 174.062 1.053 1
1 980 . 6 1 1 A 80 80 TYR CA C 72 57.353 56.606 0.747 1
1 981 . 6 1 1 A 80 80 TYR CB C 72 39.753 41.832 -2.079 1
1 986 . 6 1 1 A 80 80 TYR N N 72 124.010 125.581 -1.571 1
1 987 . 6 1 1 A 81 81 MET H H 73 8.824 7.900 0.924 1
1 988 . 6 1 1 A 81 81 MET HA H 73 5.983 5.078 0.905 1
1 996 . 6 1 1 A 81 81 MET C C 73 175.053 174.387 0.666 1
1 997 . 6 1 1 A 81 81 MET CA C 73 54.453 53.666 0.787 1
1 998 . 6 1 1 A 81 81 MET CB C 73 38.584 36.209 2.375 1
1 1001 . 6 1 1 A 81 81 MET N N 73 120.151 125.329 -5.178 1
1 1002 . 6 1 1 A 82 82 LYS H H 74 9.103 8.695 0.408 1
1 1003 . 6 1 1 A 82 82 LYS HA H 74 4.800 4.616 0.184 1
1 1012 . 6 1 1 A 82 82 LYS C C 74 174.244 175.611 -1.367 1
1 1013 . 6 1 1 A 82 82 LYS CA C 74 55.314 54.558 0.756 1
1 1014 . 6 1 1 A 82 82 LYS CB C 74 36.251 36.004 0.247 1
1 1018 . 6 1 1 A 82 82 LYS N N 74 121.097 123.135 -2.038 1
1 1019 . 6 1 1 A 83 83 ALA H H 75 8.740 8.461 0.279 1
1 1020 . 6 1 1 A 83 83 ALA HA H 75 4.786 4.543 0.243 1
1 1024 . 6 1 1 A 83 83 ALA C C 75 177.126 178.149 -1.023 1
1 1025 . 6 1 1 A 83 83 ALA CA C 75 49.893 51.563 -1.670 1
1 1026 . 6 1 1 A 83 83 ALA CB C 75 21.311 20.190 1.121 1
1 1027 . 6 1 1 A 83 83 ALA N N 75 126.624 127.955 -1.331 1
1 1028 . 6 1 1 A 84 84 VAL H H 76 9.105 8.641 0.464 1
1 1029 . 6 1 1 A 84 84 VAL HA H 76 3.835 3.983 -0.148 1
1 1037 . 6 1 1 A 84 84 VAL C C 76 175.635 176.008 -0.373 1
1 1038 . 6 1 1 A 84 84 VAL CA C 76 64.888 65.424 -0.536 1
1 1039 . 6 1 1 A 84 84 VAL CB C 76 32.097 32.285 -0.188 1
1 1042 . 6 1 1 A 84 84 VAL N N 76 115.195 119.429 -4.234 1
1 1043 . 6 1 1 A 85 85 ASN H H 77 7.278 7.966 -0.688 1
1 1044 . 6 1 1 A 85 85 ASN HA H 77 4.476 5.034 -0.558 1
1 1049 . 6 1 1 A 85 85 ASN C C 77 174.796 175.336 -0.540 1
1 1050 . 6 1 1 A 85 85 ASN CA C 77 52.193 51.331 0.862 1
1 1051 . 6 1 1 A 85 85 ASN CB C 77 39.702 40.876 -1.174 1
1 1052 . 6 1 1 A 85 85 ASN N N 77 109.430 115.453 -6.023 1
1 1054 . 6 1 1 A 86 86 ALA H H 78 8.681 8.880 -0.199 1
1 1055 . 6 1 1 A 86 86 ALA HA H 78 4.195 3.986 0.209 1
1 1059 . 6 1 1 A 86 86 ALA C C 78 180.157 179.991 0.166 1
1 1060 . 6 1 1 A 86 86 ALA CA C 78 54.919 55.492 -0.573 1
1 1061 . 6 1 1 A 86 86 ALA CB C 78 18.721 18.148 0.573 1
1 1062 . 6 1 1 A 86 86 ALA N N 78 121.886 122.160 -0.274 1
1 1063 . 6 1 1 A 87 87 ALA H H 79 8.386 7.936 0.450 1
1 1064 . 6 1 1 A 87 87 ALA HA H 79 4.200 3.999 0.201 1
1 1068 . 6 1 1 A 87 87 ALA C C 79 181.167 180.272 0.895 1
1 1069 . 6 1 1 A 87 87 ALA CA C 79 55.195 55.238 -0.043 1
1 1070 . 6 1 1 A 87 87 ALA CB C 79 17.663 18.433 -0.770 1
1 1071 . 6 1 1 A 87 87 ALA N N 79 123.939 119.928 4.011 1
1 1072 . 6 1 1 A 88 88 GLU H H 80 8.743 7.779 0.964 1
1 1073 . 6 1 1 A 88 88 GLU HA H 80 4.260 4.027 0.233 1
1 1078 . 6 1 1 A 88 88 GLU C C 80 178.848 179.279 -0.431 1
1 1079 . 6 1 1 A 88 88 GLU CA C 80 59.191 59.477 -0.286 1
1 1080 . 6 1 1 A 88 88 GLU CB C 80 29.898 29.264 0.634 1
1 1082 . 6 1 1 A 88 88 GLU N N 80 119.694 117.883 1.811 1
1 1083 . 6 1 1 A 89 89 ARG H H 81 7.936 8.346 -0.410 1
1 1084 . 6 1 1 A 89 89 ARG HA H 81 3.780 4.136 -0.356 1
1 1087 . 6 1 1 A 89 89 ARG C C 81 177.596 178.703 -1.107 1
1 1088 . 6 1 1 A 89 89 ARG CA C 81 61.042 59.201 1.841 1
1 1089 . 6 1 1 A 89 89 ARG CB C 81 29.630 29.591 0.039 1
1 1090 . 6 1 1 A 89 89 ARG N N 81 119.080 120.660 -1.580 1
1 1091 . 6 1 1 A 90 90 GLN H H 82 8.063 8.374 -0.311 1
1 1092 . 6 1 1 A 90 90 GLN HA H 82 4.039 4.050 -0.011 1
1 1099 . 6 1 1 A 90 90 GLN C C 82 177.419 178.284 -0.865 1
1 1100 . 6 1 1 A 90 90 GLN CA C 82 59.069 59.030 0.039 1
1 1101 . 6 1 1 A 90 90 GLN CB C 82 27.786 28.189 -0.403 1
1 1103 . 6 1 1 A 90 90 GLN N N 82 118.390 118.752 -0.362 1
1 1105 . 6 1 1 A 91 91 ARG H H 83 7.700 7.588 0.112 1
1 1106 . 6 1 1 A 91 91 ARG HA H 83 3.961 3.969 -0.008 1
1 1114 . 6 1 1 A 91 91 ARG C C 83 180.016 178.950 1.066 1
1 1115 . 6 1 1 A 91 91 ARG CA C 83 59.750 59.556 0.194 1
1 1116 . 6 1 1 A 91 91 ARG CB C 83 30.401 29.729 0.672 1
1 1119 . 6 1 1 A 91 91 ARG N N 83 117.912 118.608 -0.696 1
1 1121 . 6 1 1 A 92 92 TRP H H 84 7.895 7.848 0.047 1
1 1122 . 6 1 1 A 92 92 TRP HA H 84 4.115 4.414 -0.299 1
1 1130 . 6 1 1 A 92 92 TRP C C 84 178.111 179.168 -1.057 1
1 1131 . 6 1 1 A 92 92 TRP CA C 84 61.633 59.732 1.901 1
1 1132 . 6 1 1 A 92 92 TRP CB C 84 29.032 29.323 -0.291 1
1 1137 . 6 1 1 A 92 92 TRP N N 84 119.237 121.092 -1.855 1
1 1139 . 6 1 1 A 93 93 LEU H H 85 8.988 8.419 0.569 1
1 1140 . 6 1 1 A 93 93 LEU HA H 85 3.978 4.034 -0.056 1
1 1150 . 6 1 1 A 93 93 LEU C C 85 180.925 179.643 1.282 1
1 1151 . 6 1 1 A 93 93 LEU CA C 85 58.716 57.856 0.860 1
1 1152 . 6 1 1 A 93 93 LEU CB C 85 41.506 41.273 0.233 1
1 1156 . 6 1 1 A 93 93 LEU N N 85 119.853 120.105 -0.252 1
1 1157 . 6 1 1 A 94 94 VAL H H 86 8.233 8.194 0.039 1
1 1158 . 6 1 1 A 94 94 VAL HA H 86 3.695 3.516 0.179 1
1 1166 . 6 1 1 A 94 94 VAL C C 86 178.733 177.966 0.767 1
1 1167 . 6 1 1 A 94 94 VAL CA C 86 66.250 66.572 -0.322 1
1 1168 . 6 1 1 A 94 94 VAL CB C 86 31.886 31.531 0.355 1
1 1171 . 6 1 1 A 94 94 VAL N N 86 120.164 119.699 0.465 1
1 1172 . 6 1 1 A 95 95 ALA H H 87 7.345 7.676 -0.331 1
1 1173 . 6 1 1 A 95 95 ALA HA H 87 4.113 4.032 0.081 1
1 1177 . 6 1 1 A 95 95 ALA C C 87 180.055 180.349 -0.294 1
1 1178 . 6 1 1 A 95 95 ALA CA C 87 55.410 55.367 0.043 1
1 1179 . 6 1 1 A 95 95 ALA CB C 87 18.816 18.521 0.295 1
1 1180 . 6 1 1 A 95 95 ALA N N 87 123.818 121.594 2.224 1
1 1181 . 6 1 1 A 96 96 LEU H H 88 9.342 8.694 0.648 1
1 1182 . 6 1 1 A 96 96 LEU HA H 88 4.003 4.010 -0.007 1
1 1192 . 6 1 1 A 96 96 LEU C C 88 179.349 179.318 0.031 1
1 1193 . 6 1 1 A 96 96 LEU CA C 88 57.786 58.111 -0.325 1
1 1194 . 6 1 1 A 96 96 LEU CB C 88 41.848 41.822 0.026 1
1 1198 . 6 1 1 A 96 96 LEU N N 88 117.857 118.422 -0.565 1
1 1199 . 6 1 1 A 97 97 GLY H H 89 8.252 8.430 -0.178 1
1 1200 . 6 1 1 A 97 97 GLY HA2 H 89 3.819 3.798 0.021 1
1 1201 . 6 1 1 A 97 97 GLY HA3 H 89 3.948 3.800 0.148 1
1 1202 . 6 1 1 A 97 97 GLY C C 89 176.463 176.444 0.019 1
1 1203 . 6 1 1 A 97 97 GLY CA C 89 46.620 47.694 -1.074 1
1 1204 . 6 1 1 A 97 97 GLY N N 89 105.618 106.194 -0.576 1
1 1205 . 6 1 1 A 98 98 SER H H 90 8.068 8.186 -0.118 1
1 1206 . 6 1 1 A 98 98 SER HA H 90 4.377 4.141 0.236 1
1 1209 . 6 1 1 A 98 98 SER C C 90 176.144 176.436 -0.292 1
1 1210 . 6 1 1 A 98 98 SER CA C 90 60.842 61.580 -0.738 1
1 1211 . 6 1 1 A 98 98 SER CB C 90 63.116 62.357 0.759 1
1 1212 . 6 1 1 A 98 98 SER N N 90 117.602 116.740 0.862 1
1 1213 . 6 1 1 A 99 99 SER H H 91 8.036 7.871 0.165 1
1 1214 . 6 1 1 A 99 99 SER HA H 91 4.324 4.191 0.133 1
1 1217 . 6 1 1 A 99 99 SER C C 91 175.818 177.218 -1.400 1
1 1218 . 6 1 1 A 99 99 SER CA C 91 60.720 61.380 -0.660 1
1 1219 . 6 1 1 A 99 99 SER CB C 91 63.831 62.956 0.875 1
1 1220 . 6 1 1 A 99 99 SER N N 91 116.877 117.966 -1.089 1
1 1221 . 6 1 1 A 100 100 LYS H H 92 7.838 8.097 -0.259 1
1 1222 . 6 1 1 A 100 100 LYS HA H 92 4.068 4.012 0.056 1
1 1231 . 6 1 1 A 100 100 LYS C C 92 177.235 178.166 -0.931 1
1 1232 . 6 1 1 A 100 100 LYS CA C 92 58.121 59.095 -0.974 1
1 1233 . 6 1 1 A 100 100 LYS CB C 92 32.263 31.983 0.280 1
1 1237 . 6 1 1 A 100 100 LYS N N 92 119.456 121.420 -1.964 1
1 1238 . 6 1 1 A 101 101 ALA H H 93 7.924 7.454 0.470 1
1 1239 . 6 1 1 A 101 101 ALA HA H 93 4.321 4.171 0.150 1
1 1243 . 6 1 1 A 101 101 ALA C C 93 178.323 178.482 -0.159 1
1 1244 . 6 1 1 A 101 101 ALA CA C 93 53.435 53.317 0.118 1
1 1245 . 6 1 1 A 101 101 ALA CB C 93 18.969 18.391 0.578 1
1 1246 . 6 1 1 A 101 101 ALA N N 93 122.054 121.268 0.786 1
1 1247 . 6 1 1 A 102 102 SER H H 94 8.061 8.801 -0.740 1
1 1248 . 6 1 1 A 102 102 SER HA H 94 4.451 4.151 0.300 1
1 1251 . 6 1 1 A 102 102 SER C C 94 174.773 173.855 0.918 1
1 1252 . 6 1 1 A 102 102 SER CA C 94 59.086 59.181 -0.095 1
1 1253 . 6 1 1 A 102 102 SER CB C 94 63.766 60.948 2.818 1
1 1254 . 6 1 1 A 102 102 SER N N 94 114.102 118.893 -4.791 1
1 1255 . 6 1 1 A 103 103 LEU H H 95 8.053 7.774 0.279 1
1 1256 . 6 1 1 A 103 103 LEU HA H 95 4.507 4.687 -0.180 1
1 1266 . 6 1 1 A 103 103 LEU C C 95 177.589 176.272 1.317 1
1 1267 . 6 1 1 A 103 103 LEU CA C 95 55.398 53.280 2.118 1
1 1268 . 6 1 1 A 103 103 LEU CB C 95 42.435 44.285 -1.850 1
1 1272 . 6 1 1 A 103 103 LEU N N 95 123.264 124.086 -0.822 1
1 1273 . 6 1 1 A 104 104 THR H H 96 8.045 8.482 -0.437 1
1 1274 . 6 1 1 A 104 104 THR HA H 96 4.383 4.371 0.012 1
1 1279 . 6 1 1 A 104 104 THR C C 96 174.128 172.419 1.709 1
1 1280 . 6 1 1 A 104 104 THR CA C 96 61.982 62.033 -0.051 1
1 1281 . 6 1 1 A 104 104 THR CB C 96 69.938 68.432 1.506 1
1 1283 . 6 1 1 A 104 104 THR N N 96 113.833 118.787 -4.954 1
1 1284 . 6 1 1 A 105 105 ASP H H 97 8.346 8.609 -0.263 1
1 1285 . 6 1 1 A 105 105 ASP HA H 97 4.740 5.128 -0.388 1
1 1288 . 6 1 1 A 105 105 ASP C C 97 176.310 176.487 -0.177 1
1 1289 . 6 1 1 A 105 105 ASP CA C 97 54.300 52.505 1.795 1
1 1290 . 6 1 1 A 105 105 ASP CB C 97 41.174 44.426 -3.252 1
1 1291 . 6 1 1 A 105 105 ASP N N 97 123.107 121.334 1.773 1
1 1292 . 6 1 1 A 106 106 THR H H 98 8.147 8.869 -0.722 1
1 1293 . 6 1 1 A 106 106 THR HA H 98 4.355 4.065 0.290 1
1 1298 . 6 1 1 A 106 106 THR C C 98 174.523 173.844 0.679 1
1 1299 . 6 1 1 A 106 106 THR CA C 98 61.937 62.886 -0.949 1
1 1300 . 6 1 1 A 106 106 THR CB C 98 69.656 66.544 3.112 1
1 1302 . 6 1 1 A 106 106 THR N N 98 114.857 117.119 -2.262 1
1 1303 . 6 1 1 A 107 107 ARG H H 99 8.385 8.197 0.188 1
1 1304 . 6 1 1 A 107 107 ARG HA H 99 4.442 4.457 -0.015 1
1 1312 . 6 1 1 A 107 107 ARG C C 99 175.764 175.700 0.064 1
1 1313 . 6 1 1 A 107 107 ARG CA C 99 56.311 56.120 0.191 1
1 1314 . 6 1 1 A 107 107 ARG CB C 99 30.745 31.000 -0.255 1
1 1317 . 6 1 1 A 107 107 ARG N N 99 123.999 121.575 2.424 1
1 1 . 7 1 1 A 2 2 PRO HA H -6 4.460 4.529 -0.069 1
1 8 . 7 1 1 A 2 2 PRO C C -6 176.875 175.819 1.056 1
1 9 . 7 1 1 A 2 2 PRO CA C -6 63.159 62.758 0.401 1
1 10 . 7 1 1 A 2 2 PRO CB C -6 32.292 31.956 0.336 1
1 13 . 7 1 1 A 3 3 LEU H H -5 8.483 8.510 -0.027 1
1 14 . 7 1 1 A 3 3 LEU HA H -5 4.334 4.586 -0.252 1
1 24 . 7 1 1 A 3 3 LEU C C -5 177.797 177.084 0.713 1
1 25 . 7 1 1 A 3 3 LEU CA C -5 55.474 54.208 1.266 1
1 26 . 7 1 1 A 3 3 LEU CB C -5 42.239 42.313 -0.074 1
1 30 . 7 1 1 A 3 3 LEU N N -5 122.315 123.248 -0.933 1
1 31 . 7 1 1 A 4 4 GLY H H -4 8.393 8.471 -0.078 1
1 32 . 7 1 1 A 4 4 GLY HA2 H -4 3.978 3.905 0.073 1
1 33 . 7 1 1 A 4 4 GLY HA3 H -4 3.978 3.907 0.071 1
1 34 . 7 1 1 A 4 4 GLY C C -4 173.730 173.933 -0.203 1
1 35 . 7 1 1 A 4 4 GLY CA C -4 45.158 46.922 -1.764 1
1 36 . 7 1 1 A 4 4 GLY N N -4 109.911 115.607 -5.696 1
1 37 . 7 1 1 A 5 5 SER H H -3 8.162 8.333 -0.171 1
1 38 . 7 1 1 A 5 5 SER HA H -3 4.764 4.750 0.014 1
1 41 . 7 1 1 A 5 5 SER CA C -3 56.323 59.283 -2.960 1
1 42 . 7 1 1 A 5 5 SER CB C -3 63.515 65.403 -1.888 1
1 43 . 7 1 1 A 5 5 SER N N -3 116.873 118.250 -1.377 1
1 44 . 7 1 1 A 6 6 PRO HA H -2 4.399 4.275 0.124 1
1 47 . 7 1 1 A 6 6 PRO C C -2 176.587 175.177 1.410 1
1 48 . 7 1 1 A 6 6 PRO CA C -2 63.552 63.240 0.312 1
1 49 . 7 1 1 A 6 6 PRO CB C -2 31.997 31.808 0.189 1
1 50 . 7 1 1 A 7 7 GLU H H -1 8.364 8.476 -0.112 1
1 51 . 7 1 1 A 7 7 GLU HA H -1 4.285 4.856 -0.571 1
1 56 . 7 1 1 A 7 7 GLU C C -1 174.954 174.590 0.364 1
1 57 . 7 1 1 A 7 7 GLU CA C -1 56.486 55.471 1.015 1
1 58 . 7 1 1 A 7 7 GLU CB C -1 29.924 33.218 -3.294 1
1 60 . 7 1 1 A 7 7 GLU N N -1 119.665 123.611 -3.946 1
1 61 . 7 1 1 A 8 8 PHE H H 0 7.872 8.854 -0.982 1
1 62 . 7 1 1 A 8 8 PHE HA H 0 5.204 5.205 -0.001 1
1 67 . 7 1 1 A 8 8 PHE C C 0 174.670 173.979 0.691 1
1 68 . 7 1 1 A 8 8 PHE CA C 0 56.861 56.358 0.503 1
1 69 . 7 1 1 A 8 8 PHE CB C 0 41.874 41.818 0.056 1
1 72 . 7 1 1 A 8 8 PHE N N 0 122.497 125.142 -2.645 1
1 73 . 7 1 1 A 9 9 MET H H 1 7.833 8.761 -0.928 1
1 74 . 7 1 1 A 9 9 MET HA H 1 4.095 5.011 -0.916 1
1 82 . 7 1 1 A 9 9 MET C C 1 171.191 174.415 -3.224 1
1 83 . 7 1 1 A 9 9 MET CA C 1 54.613 54.018 0.595 1
1 84 . 7 1 1 A 9 9 MET CB C 1 34.867 35.607 -0.740 1
1 87 . 7 1 1 A 9 9 MET N N 1 127.163 124.808 2.355 1
1 88 . 7 1 1 A 10 10 GLU H H 2 7.698 8.789 -1.091 1
1 89 . 7 1 1 A 10 10 GLU HA H 2 5.603 5.322 0.281 1
1 94 . 7 1 1 A 10 10 GLU C C 2 174.743 174.534 0.209 1
1 95 . 7 1 1 A 10 10 GLU CA C 2 53.345 54.464 -1.119 1
1 96 . 7 1 1 A 10 10 GLU CB C 2 32.408 33.693 -1.285 1
1 98 . 7 1 1 A 10 10 GLU N N 2 118.654 122.377 -3.723 1
1 99 . 7 1 1 A 11 11 GLY H H 3 7.994 7.318 0.676 1
1 100 . 7 1 1 A 11 11 GLY HA2 H 3 3.115 3.789 -0.674 1
1 101 . 7 1 1 A 11 11 GLY HA3 H 3 4.377 4.259 0.118 1
1 102 . 7 1 1 A 11 11 GLY C C 3 170.878 171.824 -0.946 1
1 103 . 7 1 1 A 11 11 GLY CA C 3 45.086 45.149 -0.063 1
1 104 . 7 1 1 A 11 11 GLY N N 3 108.296 106.147 2.149 1
1 105 . 7 1 1 A 12 12 VAL H H 4 8.463 8.664 -0.201 1
1 106 . 7 1 1 A 12 12 VAL HA H 4 4.969 5.767 -0.798 1
1 114 . 7 1 1 A 12 12 VAL C C 4 177.805 174.279 3.526 1
1 115 . 7 1 1 A 12 12 VAL CA C 4 62.373 59.272 3.101 1
1 116 . 7 1 1 A 12 12 VAL CB C 4 33.152 34.999 -1.847 1
1 119 . 7 1 1 A 12 12 VAL N N 4 119.624 116.021 3.603 1
1 120 . 7 1 1 A 13 13 LEU H H 5 8.647 8.989 -0.342 1
1 121 . 7 1 1 A 13 13 LEU HA H 5 4.382 4.999 -0.617 1
1 131 . 7 1 1 A 13 13 LEU C C 5 175.407 175.254 0.153 1
1 132 . 7 1 1 A 13 13 LEU CA C 5 54.139 53.629 0.510 1
1 133 . 7 1 1 A 13 13 LEU CB C 5 46.374 45.757 0.617 1
1 137 . 7 1 1 A 13 13 LEU N N 5 125.806 123.711 2.095 1
1 138 . 7 1 1 A 14 14 TYR H H 6 9.007 9.063 -0.056 1
1 139 . 7 1 1 A 14 14 TYR HA H 6 5.026 5.195 -0.169 1
1 144 . 7 1 1 A 14 14 TYR C C 6 175.047 174.409 0.638 1
1 145 . 7 1 1 A 14 14 TYR CA C 6 57.484 58.157 -0.673 1
1 146 . 7 1 1 A 14 14 TYR CB C 6 39.400 38.898 0.502 1
1 147 . 7 1 1 A 14 14 TYR N N 6 118.975 124.228 -5.253 1
1 148 . 7 1 1 A 15 15 LYS H H 7 9.549 9.296 0.253 1
1 149 . 7 1 1 A 15 15 LYS HA H 7 5.467 4.797 0.670 1
1 158 . 7 1 1 A 15 15 LYS C C 7 175.772 175.864 -0.092 1
1 159 . 7 1 1 A 15 15 LYS CA C 7 54.136 54.653 -0.517 1
1 160 . 7 1 1 A 15 15 LYS CB C 7 37.043 34.484 2.559 1
1 164 . 7 1 1 A 15 15 LYS N N 7 123.867 128.508 -4.641 1
1 165 . 7 1 1 A 16 16 TRP H H 8 8.355 8.659 -0.304 1
1 166 . 7 1 1 A 16 16 TRP HA H 8 3.893 4.768 -0.875 1
1 175 . 7 1 1 A 16 16 TRP C C 8 176.038 176.391 -0.353 1
1 176 . 7 1 1 A 16 16 TRP CA C 8 57.880 57.708 0.172 1
1 177 . 7 1 1 A 16 16 TRP CB C 8 29.347 30.435 -1.088 1
1 183 . 7 1 1 A 16 16 TRP N N 8 129.111 129.566 -0.455 1
1 185 . 7 1 1 A 17 17 THR H H 9 6.754 8.458 -1.704 1
1 186 . 7 1 1 A 17 17 THR HA H 9 4.127 4.397 -0.270 1
1 191 . 7 1 1 A 17 17 THR C C 9 172.153 174.239 -2.086 1
1 192 . 7 1 1 A 17 17 THR CA C 9 61.413 61.974 -0.561 1
1 193 . 7 1 1 A 17 17 THR CB C 9 69.317 69.340 -0.023 1
1 195 . 7 1 1 A 17 17 THR N N 9 121.030 118.242 2.788 1
1 196 . 7 1 1 A 18 18 ASN H H 10 7.418 6.910 0.508 1
1 197 . 7 1 1 A 18 18 ASN HA H 10 4.051 4.784 -0.733 1
1 202 . 7 1 1 A 18 18 ASN C C 10 174.308 174.004 0.304 1
1 203 . 7 1 1 A 18 18 ASN CA C 10 52.089 52.489 -0.400 1
1 204 . 7 1 1 A 18 18 ASN CB C 10 39.339 41.487 -2.148 1
1 205 . 7 1 1 A 18 18 ASN N N 10 115.655 117.247 -1.592 1
1 207 . 7 1 1 A 19 19 TYR H H 11 8.348 8.877 -0.529 1
1 208 . 7 1 1 A 19 19 TYR HA H 11 4.284 4.431 -0.147 1
1 215 . 7 1 1 A 19 19 TYR C C 11 175.974 177.362 -1.388 1
1 216 . 7 1 1 A 19 19 TYR CA C 11 60.774 59.870 0.904 1
1 217 . 7 1 1 A 19 19 TYR CB C 11 37.815 38.159 -0.344 1
1 222 . 7 1 1 A 19 19 TYR N N 11 115.508 124.135 -8.627 1
1 223 . 7 1 1 A 20 20 LEU H H 12 7.827 7.249 0.578 1
1 224 . 7 1 1 A 20 20 LEU HA H 12 4.091 3.950 0.141 1
1 234 . 7 1 1 A 20 20 LEU C C 12 178.711 179.414 -0.703 1
1 235 . 7 1 1 A 20 20 LEU CA C 12 56.966 57.631 -0.665 1
1 236 . 7 1 1 A 20 20 LEU CB C 12 41.922 41.653 0.269 1
1 240 . 7 1 1 A 20 20 LEU N N 12 120.867 122.218 -1.351 1
1 241 . 7 1 1 A 21 21 THR H H 13 7.651 7.726 -0.075 1
1 242 . 7 1 1 A 21 21 THR HA H 13 4.162 4.275 -0.113 1
1 247 . 7 1 1 A 21 21 THR C C 13 175.842 174.506 1.336 1
1 248 . 7 1 1 A 21 21 THR CA C 13 62.159 62.520 -0.361 1
1 249 . 7 1 1 A 21 21 THR CB C 13 69.191 70.255 -1.064 1
1 251 . 7 1 1 A 21 21 THR N N 13 108.304 107.613 0.691 1
1 252 . 7 1 1 A 22 22 GLY H H 14 7.679 8.240 -0.561 1
1 253 . 7 1 1 A 22 22 GLY HA2 H 14 2.802 4.020 -1.218 1
1 254 . 7 1 1 A 22 22 GLY HA3 H 14 3.715 4.116 -0.401 1
1 255 . 7 1 1 A 22 22 GLY C C 14 175.108 173.239 1.869 1
1 256 . 7 1 1 A 22 22 GLY CA C 14 46.131 45.938 0.193 1
1 257 . 7 1 1 A 22 22 GLY N N 14 109.901 110.132 -0.231 1
1 258 . 7 1 1 A 23 23 TRP H H 15 8.817 8.388 0.429 1
1 259 . 7 1 1 A 23 23 TRP HA H 15 4.724 5.810 -1.086 1
1 268 . 7 1 1 A 23 23 TRP C C 15 176.569 174.527 2.042 1
1 269 . 7 1 1 A 23 23 TRP CA C 15 56.897 55.324 1.573 1
1 270 . 7 1 1 A 23 23 TRP CB C 15 29.825 33.488 -3.663 1
1 275 . 7 1 1 A 23 23 TRP N N 15 126.927 122.173 4.754 1
1 277 . 7 1 1 A 24 24 GLN H H 16 8.931 8.666 0.265 1
1 278 . 7 1 1 A 24 24 GLN HA H 16 5.186 4.358 0.828 1
1 285 . 7 1 1 A 24 24 GLN CA C 16 52.369 51.786 0.583 1
1 286 . 7 1 1 A 24 24 GLN CB C 16 31.536 30.625 0.911 1
1 288 . 7 1 1 A 24 24 GLN N N 16 122.710 119.913 2.797 1
1 290 . 7 1 1 A 25 25 PRO HA H 17 4.206 5.207 -1.001 1
1 297 . 7 1 1 A 25 25 PRO C C 17 176.918 176.081 0.837 1
1 298 . 7 1 1 A 25 25 PRO CA C 17 62.894 62.808 0.086 1
1 299 . 7 1 1 A 25 25 PRO CB C 17 31.444 31.788 -0.344 1
1 302 . 7 1 1 A 26 26 ARG H H 18 9.041 8.856 0.185 1
1 303 . 7 1 1 A 26 26 ARG HA H 18 4.857 5.014 -0.157 1
1 310 . 7 1 1 A 26 26 ARG C C 18 173.102 174.720 -1.618 1
1 311 . 7 1 1 A 26 26 ARG CA C 18 53.273 54.575 -1.302 1
1 312 . 7 1 1 A 26 26 ARG CB C 18 34.254 33.930 0.324 1
1 315 . 7 1 1 A 26 26 ARG N N 18 123.602 123.713 -0.111 1
1 316 . 7 1 1 A 27 27 TRP H H 19 8.375 8.480 -0.105 1
1 317 . 7 1 1 A 27 27 TRP HA H 19 5.077 5.326 -0.249 1
1 326 . 7 1 1 A 27 27 TRP C C 19 174.728 174.655 0.073 1
1 327 . 7 1 1 A 27 27 TRP CA C 19 56.157 56.452 -0.295 1
1 328 . 7 1 1 A 27 27 TRP CB C 19 31.116 30.910 0.206 1
1 334 . 7 1 1 A 27 27 TRP N N 19 121.669 124.762 -3.093 1
1 336 . 7 1 1 A 28 28 PHE H H 20 9.016 9.549 -0.533 1
1 337 . 7 1 1 A 28 28 PHE HA H 20 5.385 5.329 0.056 1
1 345 . 7 1 1 A 28 28 PHE C C 20 174.685 174.748 -0.063 1
1 346 . 7 1 1 A 28 28 PHE CA C 20 56.699 56.463 0.236 1
1 347 . 7 1 1 A 28 28 PHE CB C 20 43.155 41.921 1.234 1
1 353 . 7 1 1 A 28 28 PHE N N 20 128.520 126.831 1.689 1
1 354 . 7 1 1 A 29 29 VAL H H 21 9.058 9.291 -0.233 1
1 355 . 7 1 1 A 29 29 VAL HA H 21 4.681 5.336 -0.655 1
1 363 . 7 1 1 A 29 29 VAL C C 21 174.804 173.969 0.835 1
1 364 . 7 1 1 A 29 29 VAL CA C 21 61.719 59.714 2.005 1
1 365 . 7 1 1 A 29 29 VAL CB C 21 36.416 35.861 0.555 1
1 368 . 7 1 1 A 29 29 VAL N N 21 117.562 116.408 1.154 1
1 369 . 7 1 1 A 30 30 LEU H H 22 9.543 9.221 0.322 1
1 370 . 7 1 1 A 30 30 LEU HA H 22 5.311 5.192 0.119 1
1 380 . 7 1 1 A 30 30 LEU C C 22 173.506 175.132 -1.626 1
1 381 . 7 1 1 A 30 30 LEU CA C 22 53.213 54.009 -0.796 1
1 382 . 7 1 1 A 30 30 LEU CB C 22 44.939 44.078 0.861 1
1 386 . 7 1 1 A 30 30 LEU N N 22 131.939 127.507 4.432 1
1 387 . 7 1 1 A 31 31 ASP H H 23 8.513 9.366 -0.853 1
1 388 . 7 1 1 A 31 31 ASP HA H 23 5.151 4.879 0.272 1
1 391 . 7 1 1 A 31 31 ASP C C 23 176.940 175.525 1.415 1
1 392 . 7 1 1 A 31 31 ASP CA C 23 53.671 53.463 0.208 1
1 393 . 7 1 1 A 31 31 ASP CB C 23 43.770 43.139 0.631 1
1 394 . 7 1 1 A 31 31 ASP N N 23 121.978 125.544 -3.566 1
1 395 . 7 1 1 A 32 32 ASN H H 24 9.280 9.298 -0.018 1
1 396 . 7 1 1 A 32 32 ASN HA H 24 4.421 4.277 0.144 1
1 401 . 7 1 1 A 32 32 ASN C C 24 175.044 174.325 0.719 1
1 402 . 7 1 1 A 32 32 ASN CA C 24 54.362 54.008 0.354 1
1 403 . 7 1 1 A 32 32 ASN CB C 24 37.804 37.647 0.157 1
1 404 . 7 1 1 A 32 32 ASN N N 24 125.653 125.253 0.400 1
1 406 . 7 1 1 A 33 33 GLY H H 25 8.997 8.489 0.508 1
1 407 . 7 1 1 A 33 33 GLY HA2 H 25 3.581 3.803 -0.222 1
1 408 . 7 1 1 A 33 33 GLY HA3 H 25 4.154 3.804 0.350 1
1 409 . 7 1 1 A 33 33 GLY C C 25 173.215 173.603 -0.388 1
1 410 . 7 1 1 A 33 33 GLY CA C 25 45.930 45.438 0.492 1
1 411 . 7 1 1 A 33 33 GLY N N 25 102.623 105.089 -2.466 1
1 412 . 7 1 1 A 34 34 ILE H H 26 7.955 8.012 -0.057 1
1 413 . 7 1 1 A 34 34 ILE HA H 26 4.771 4.391 0.380 1
1 423 . 7 1 1 A 34 34 ILE C C 26 174.753 173.922 0.831 1
1 424 . 7 1 1 A 34 34 ILE CA C 26 59.201 60.466 -1.265 1
1 425 . 7 1 1 A 34 34 ILE CB C 26 39.393 40.477 -1.084 1
1 429 . 7 1 1 A 34 34 ILE N N 26 122.350 123.226 -0.876 1
1 430 . 7 1 1 A 35 35 LEU H H 27 9.274 9.570 -0.296 1
1 431 . 7 1 1 A 35 35 LEU HA H 27 5.441 5.253 0.188 1
1 441 . 7 1 1 A 35 35 LEU C C 27 175.131 175.336 -0.205 1
1 442 . 7 1 1 A 35 35 LEU CA C 27 53.160 53.607 -0.447 1
1 443 . 7 1 1 A 35 35 LEU CB C 27 44.532 44.623 -0.091 1
1 447 . 7 1 1 A 35 35 LEU N N 27 132.013 131.052 0.961 1
1 448 . 7 1 1 A 36 36 SER H H 28 9.668 9.019 0.649 1
1 449 . 7 1 1 A 36 36 SER HA H 28 5.379 5.602 -0.223 1
1 452 . 7 1 1 A 36 36 SER C C 28 171.968 173.241 -1.273 1
1 453 . 7 1 1 A 36 36 SER CA C 28 57.345 56.052 1.293 1
1 454 . 7 1 1 A 36 36 SER CB C 28 66.044 65.642 0.402 1
1 455 . 7 1 1 A 36 36 SER N N 28 123.682 121.199 2.483 1
1 456 . 7 1 1 A 37 37 TYR H H 29 7.452 8.463 -1.011 1
1 457 . 7 1 1 A 37 37 TYR HA H 29 5.658 5.471 0.187 1
1 464 . 7 1 1 A 37 37 TYR C C 29 172.731 173.599 -0.868 1
1 465 . 7 1 1 A 37 37 TYR CA C 29 54.632 54.884 -0.252 1
1 466 . 7 1 1 A 37 37 TYR CB C 29 39.599 41.426 -1.827 1
1 471 . 7 1 1 A 37 37 TYR N N 29 115.554 118.543 -2.989 1
1 472 . 7 1 1 A 38 38 TYR H H 30 9.116 9.220 -0.104 1
1 473 . 7 1 1 A 38 38 TYR HA H 30 4.626 4.899 -0.273 1
1 480 . 7 1 1 A 38 38 TYR C C 30 175.771 175.100 0.671 1
1 481 . 7 1 1 A 38 38 TYR CA C 30 56.194 56.798 -0.604 1
1 482 . 7 1 1 A 38 38 TYR CB C 30 43.253 43.160 0.093 1
1 487 . 7 1 1 A 38 38 TYR N N 30 117.937 118.606 -0.669 1
1 488 . 7 1 1 A 39 39 ASP H H 31 9.474 9.771 -0.297 1
1 489 . 7 1 1 A 39 39 ASP HA H 31 4.624 4.560 0.064 1
1 492 . 7 1 1 A 39 39 ASP C C 31 176.264 175.373 0.891 1
1 493 . 7 1 1 A 39 39 ASP CA C 31 58.144 56.577 1.567 1
1 494 . 7 1 1 A 39 39 ASP CB C 31 40.399 41.603 -1.204 1
1 495 . 7 1 1 A 39 39 ASP N N 31 121.988 122.438 -0.450 1
1 496 . 7 1 1 A 40 40 SER H H 32 7.511 7.844 -0.333 1
1 497 . 7 1 1 A 40 40 SER HA H 32 4.567 4.644 -0.077 1
1 500 . 7 1 1 A 40 40 SER C C 32 173.752 173.930 -0.178 1
1 501 . 7 1 1 A 40 40 SER CA C 32 57.211 57.313 -0.102 1
1 502 . 7 1 1 A 40 40 SER CB C 32 65.547 66.331 -0.784 1
1 503 . 7 1 1 A 40 40 SER N N 32 107.441 110.990 -3.549 1
1 504 . 7 1 1 A 41 41 GLN H H 33 8.828 8.266 0.562 1
1 505 . 7 1 1 A 41 41 GLN HA H 33 2.511 3.467 -0.956 1
1 512 . 7 1 1 A 41 41 GLN C C 33 177.001 176.533 0.468 1
1 513 . 7 1 1 A 41 41 GLN CA C 33 58.261 58.798 -0.537 1
1 514 . 7 1 1 A 41 41 GLN CB C 33 27.168 27.918 -0.750 1
1 516 . 7 1 1 A 41 41 GLN N N 33 123.170 122.460 0.710 1
1 518 . 7 1 1 A 42 42 ASP H H 34 7.774 8.263 -0.489 1
1 519 . 7 1 1 A 42 42 ASP HA H 34 4.289 4.280 0.009 1
1 522 . 7 1 1 A 42 42 ASP C C 34 176.567 177.572 -1.005 1
1 523 . 7 1 1 A 42 42 ASP CA C 34 55.710 57.747 -2.037 1
1 524 . 7 1 1 A 42 42 ASP CB C 34 40.459 42.242 -1.783 1
1 525 . 7 1 1 A 42 42 ASP N N 34 116.558 119.364 -2.806 1
1 526 . 7 1 1 A 43 43 ASP H H 35 7.388 7.848 -0.460 1
1 527 . 7 1 1 A 43 43 ASP HA H 35 4.755 4.363 0.392 1
1 530 . 7 1 1 A 43 43 ASP C C 35 177.129 178.531 -1.402 1
1 531 . 7 1 1 A 43 43 ASP CA C 35 54.563 56.165 -1.602 1
1 532 . 7 1 1 A 43 43 ASP CB C 35 42.434 40.731 1.703 1
1 533 . 7 1 1 A 43 43 ASP N N 35 117.173 118.957 -1.784 1
1 534 . 7 1 1 A 44 44 VAL H H 36 7.063 7.515 -0.452 1
1 535 . 7 1 1 A 44 44 VAL HA H 36 3.372 1.984 1.388 1
1 543 . 7 1 1 A 44 44 VAL C C 36 178.169 177.988 0.181 1
1 544 . 7 1 1 A 44 44 VAL CA C 36 65.325 65.687 -0.362 1
1 545 . 7 1 1 A 44 44 VAL CB C 36 31.179 31.035 0.144 1
1 548 . 7 1 1 A 44 44 VAL N N 36 121.695 118.611 3.084 1
1 549 . 7 1 1 A 45 45 CYS H H 37 8.133 8.101 0.032 1
1 550 . 7 1 1 A 45 45 CYS HA H 37 4.425 4.134 0.291 1
1 553 . 7 1 1 A 45 45 CYS C C 37 175.083 176.992 -1.909 1
1 554 . 7 1 1 A 45 45 CYS CA C 37 59.202 62.070 -2.868 1
1 555 . 7 1 1 A 45 45 CYS CB C 37 27.101 26.973 0.128 1
1 556 . 7 1 1 A 45 45 CYS N N 37 115.191 119.245 -4.054 1
1 557 . 7 1 1 A 46 46 LYS H H 38 7.844 7.566 0.278 1
1 558 . 7 1 1 A 46 46 LYS HA H 38 4.428 4.030 0.398 1
1 567 . 7 1 1 A 46 46 LYS C C 38 177.049 177.667 -0.618 1
1 568 . 7 1 1 A 46 46 LYS CA C 38 56.787 57.724 -0.937 1
1 569 . 7 1 1 A 46 46 LYS CB C 38 33.119 32.999 0.120 1
1 573 . 7 1 1 A 46 46 LYS N N 38 121.496 117.805 3.691 1
1 574 . 7 1 1 A 47 47 GLY H H 39 7.759 7.681 0.078 1
1 575 . 7 1 1 A 47 47 GLY HA2 H 39 4.022 4.090 -0.068 1
1 576 . 7 1 1 A 47 47 GLY HA3 H 39 4.542 4.235 0.307 1
1 577 . 7 1 1 A 47 47 GLY C C 39 173.037 173.596 -0.559 1
1 578 . 7 1 1 A 47 47 GLY CA C 39 44.261 44.852 -0.591 1
1 579 . 7 1 1 A 47 47 GLY N N 39 107.270 106.202 1.068 1
1 580 . 7 1 1 A 48 48 SER H H 40 8.478 9.097 -0.619 1
1 581 . 7 1 1 A 48 48 SER HA H 40 3.783 4.498 -0.715 1
1 584 . 7 1 1 A 48 48 SER C C 40 175.221 174.582 0.639 1
1 585 . 7 1 1 A 48 48 SER CA C 40 57.947 59.065 -1.118 1
1 586 . 7 1 1 A 48 48 SER CB C 40 63.811 63.452 0.359 1
1 587 . 7 1 1 A 48 48 SER N N 40 116.121 120.612 -4.491 1
1 588 . 7 1 1 A 49 49 LYS H H 41 8.394 9.053 -0.659 1
1 589 . 7 1 1 A 49 49 LYS HA H 41 4.188 4.442 -0.254 1
1 598 . 7 1 1 A 49 49 LYS C C 41 176.470 175.836 0.634 1
1 599 . 7 1 1 A 49 49 LYS CA C 41 55.331 56.579 -1.248 1
1 600 . 7 1 1 A 49 49 LYS CB C 41 32.293 32.392 -0.099 1
1 604 . 7 1 1 A 49 49 LYS N N 41 120.990 124.996 -4.006 1
1 605 . 7 1 1 A 50 50 GLY H H 42 6.747 7.689 -0.942 1
1 606 . 7 1 1 A 50 50 GLY HA2 H 42 3.531 4.125 -0.594 1
1 607 . 7 1 1 A 50 50 GLY HA3 H 42 3.884 4.166 -0.282 1
1 608 . 7 1 1 A 50 50 GLY C C 42 170.967 172.780 -1.813 1
1 609 . 7 1 1 A 50 50 GLY CA C 42 45.060 45.331 -0.271 1
1 610 . 7 1 1 A 50 50 GLY N N 42 106.048 108.132 -2.084 1
1 611 . 7 1 1 A 51 51 SER H H 43 8.158 8.593 -0.435 1
1 612 . 7 1 1 A 51 51 SER HA H 43 5.343 5.142 0.201 1
1 615 . 7 1 1 A 51 51 SER C C 43 172.787 173.920 -1.133 1
1 616 . 7 1 1 A 51 51 SER CA C 43 57.639 56.018 1.621 1
1 617 . 7 1 1 A 51 51 SER CB C 43 65.897 65.846 0.051 1
1 618 . 7 1 1 A 51 51 SER N N 43 113.080 117.772 -4.692 1
1 619 . 7 1 1 A 52 52 ILE H H 44 9.306 9.166 0.140 1
1 620 . 7 1 1 A 52 52 ILE HA H 44 4.203 4.687 -0.484 1
1 630 . 7 1 1 A 52 52 ILE C C 44 174.340 174.649 -0.309 1
1 631 . 7 1 1 A 52 52 ILE CA C 44 60.326 60.297 0.029 1
1 632 . 7 1 1 A 52 52 ILE CB C 44 42.302 39.319 2.983 1
1 636 . 7 1 1 A 52 52 ILE N N 44 123.385 120.971 2.414 1
1 637 . 7 1 1 A 53 53 LYS H H 45 8.495 8.694 -0.199 1
1 638 . 7 1 1 A 53 53 LYS HA H 45 4.444 4.594 -0.150 1
1 647 . 7 1 1 A 53 53 LYS C C 45 176.283 176.380 -0.097 1
1 648 . 7 1 1 A 53 53 LYS CA C 45 56.255 56.300 -0.045 1
1 649 . 7 1 1 A 53 53 LYS CB C 45 32.258 32.571 -0.313 1
1 653 . 7 1 1 A 53 53 LYS N N 45 127.498 129.095 -1.597 1
1 654 . 7 1 1 A 54 54 MET H H 46 8.190 8.629 -0.439 1
1 655 . 7 1 1 A 54 54 MET HA H 46 4.585 4.172 0.413 1
1 663 . 7 1 1 A 54 54 MET C C 46 178.779 178.163 0.616 1
1 664 . 7 1 1 A 54 54 MET CA C 46 55.549 58.583 -3.034 1
1 665 . 7 1 1 A 54 54 MET CB C 46 29.465 31.710 -2.245 1
1 668 . 7 1 1 A 54 54 MET N N 46 123.817 125.272 -1.455 1
1 669 . 7 1 1 A 55 55 ALA H H 47 8.860 7.856 1.004 1
1 670 . 7 1 1 A 55 55 ALA HA H 47 4.142 4.150 -0.008 1
1 674 . 7 1 1 A 55 55 ALA C C 47 178.752 177.877 0.875 1
1 675 . 7 1 1 A 55 55 ALA CA C 47 55.004 54.310 0.694 1
1 676 . 7 1 1 A 55 55 ALA CB C 47 19.312 18.405 0.907 1
1 677 . 7 1 1 A 55 55 ALA N N 47 119.194 121.101 -1.907 1
1 678 . 7 1 1 A 56 56 VAL H H 48 7.127 8.014 -0.887 1
1 679 . 7 1 1 A 56 56 VAL HA H 48 4.592 4.369 0.223 1
1 687 . 7 1 1 A 56 56 VAL C C 48 174.965 175.684 -0.719 1
1 688 . 7 1 1 A 56 56 VAL CA C 48 60.038 61.496 -1.458 1
1 689 . 7 1 1 A 56 56 VAL CB C 48 31.878 33.552 -1.674 1
1 692 . 7 1 1 A 56 56 VAL N N 48 105.989 116.382 -10.393 1
1 693 . 7 1 1 A 57 57 CYS H H 49 7.414 7.749 -0.335 1
1 694 . 7 1 1 A 57 57 CYS HA H 49 4.897 5.054 -0.157 1
1 697 . 7 1 1 A 57 57 CYS C C 49 173.836 172.597 1.239 1
1 698 . 7 1 1 A 57 57 CYS CA C 49 58.123 57.372 0.751 1
1 699 . 7 1 1 A 57 57 CYS CB C 49 30.078 30.660 -0.582 1
1 700 . 7 1 1 A 57 57 CYS N N 49 119.973 121.296 -1.323 1
1 701 . 7 1 1 A 58 58 GLU H H 50 8.852 9.160 -0.308 1
1 702 . 7 1 1 A 58 58 GLU HA H 50 4.674 4.722 -0.048 1
1 707 . 7 1 1 A 58 58 GLU C C 50 175.085 175.106 -0.021 1
1 708 . 7 1 1 A 58 58 GLU CA C 50 54.809 56.258 -1.449 1
1 709 . 7 1 1 A 58 58 GLU CB C 50 31.856 31.377 0.479 1
1 711 . 7 1 1 A 58 58 GLU N N 50 124.719 125.998 -1.279 1
1 712 . 7 1 1 A 59 59 ILE H H 51 8.731 8.764 -0.033 1
1 713 . 7 1 1 A 59 59 ILE HA H 51 4.625 4.942 -0.317 1
1 723 . 7 1 1 A 59 59 ILE C C 51 175.513 174.164 1.349 1
1 724 . 7 1 1 A 59 59 ILE CA C 51 60.675 59.994 0.681 1
1 725 . 7 1 1 A 59 59 ILE CB C 51 39.717 41.276 -1.559 1
1 729 . 7 1 1 A 59 59 ILE N N 51 124.286 124.314 -0.028 1
1 730 . 7 1 1 A 60 60 LYS H H 52 9.212 9.286 -0.074 1
1 731 . 7 1 1 A 60 60 LYS HA H 52 4.829 4.716 0.113 1
1 740 . 7 1 1 A 60 60 LYS C C 52 175.594 175.354 0.240 1
1 741 . 7 1 1 A 60 60 LYS CA C 52 54.490 55.948 -1.458 1
1 742 . 7 1 1 A 60 60 LYS CB C 52 34.908 32.906 2.002 1
1 746 . 7 1 1 A 60 60 LYS N N 52 128.004 129.161 -1.157 1
1 747 . 7 1 1 A 61 61 VAL H H 53 8.776 8.782 -0.006 1
1 748 . 7 1 1 A 61 61 VAL HA H 53 4.087 4.591 -0.504 1
1 756 . 7 1 1 A 61 61 VAL C C 53 175.262 176.210 -0.948 1
1 757 . 7 1 1 A 61 61 VAL CA C 53 62.067 60.709 1.358 1
1 758 . 7 1 1 A 61 61 VAL CB C 53 33.296 34.968 -1.672 1
1 761 . 7 1 1 A 61 61 VAL N N 53 124.000 124.125 -0.125 1
1 762 . 7 1 1 A 62 62 HIS H H 54 7.677 8.930 -1.253 1
1 763 . 7 1 1 A 62 62 HIS HA H 54 4.456 4.562 -0.106 1
1 766 . 7 1 1 A 62 62 HIS C C 54 176.465 176.260 0.205 1
1 767 . 7 1 1 A 62 62 HIS CA C 54 57.986 57.730 0.256 1
1 768 . 7 1 1 A 62 62 HIS CB C 54 32.369 29.481 2.888 1
1 769 . 7 1 1 A 62 62 HIS N N 54 127.177 124.631 2.546 1
1 770 . 7 1 1 A 63 63 SER H H 55 8.552 8.431 0.121 1
1 771 . 7 1 1 A 63 63 SER HA H 55 4.251 4.148 0.103 1
1 774 . 7 1 1 A 63 63 SER C C 55 174.509 174.553 -0.044 1
1 775 . 7 1 1 A 63 63 SER CA C 55 60.312 61.561 -1.249 1
1 776 . 7 1 1 A 63 63 SER CB C 55 63.609 63.288 0.321 1
1 777 . 7 1 1 A 63 63 SER N N 55 120.508 114.933 5.575 1
1 778 . 7 1 1 A 64 64 ALA H H 56 8.807 7.563 1.244 1
1 779 . 7 1 1 A 64 64 ALA HA H 56 4.553 4.387 0.166 1
1 783 . 7 1 1 A 64 64 ALA C C 56 176.763 176.886 -0.123 1
1 784 . 7 1 1 A 64 64 ALA CA C 56 53.183 51.543 1.640 1
1 785 . 7 1 1 A 64 64 ALA CB C 56 20.619 21.225 -0.606 1
1 786 . 7 1 1 A 64 64 ALA N N 56 124.728 122.407 2.321 1
1 787 . 7 1 1 A 65 65 ASP H H 57 8.762 8.365 0.397 1
1 788 . 7 1 1 A 65 65 ASP HA H 57 4.689 4.608 0.081 1
1 791 . 7 1 1 A 65 65 ASP C C 57 176.322 176.098 0.224 1
1 792 . 7 1 1 A 65 65 ASP CA C 57 52.911 53.248 -0.337 1
1 793 . 7 1 1 A 65 65 ASP CB C 57 41.216 41.660 -0.444 1
1 794 . 7 1 1 A 65 65 ASP N N 57 120.574 120.158 0.416 1
1 795 . 7 1 1 A 66 66 ASN H H 58 8.457 8.720 -0.263 1
1 796 . 7 1 1 A 66 66 ASN HA H 58 4.580 4.440 0.140 1
1 801 . 7 1 1 A 66 66 ASN C C 58 174.296 176.148 -1.852 1
1 802 . 7 1 1 A 66 66 ASN CA C 58 54.146 54.114 0.032 1
1 803 . 7 1 1 A 66 66 ASN CB C 58 37.538 38.925 -1.387 1
1 804 . 7 1 1 A 66 66 ASN N N 58 122.233 120.607 1.626 1
1 806 . 7 1 1 A 67 67 THR H H 59 8.411 8.640 -0.229 1
1 807 . 7 1 1 A 67 67 THR HA H 59 4.284 4.147 0.137 1
1 812 . 7 1 1 A 67 67 THR C C 59 175.932 173.165 2.767 1
1 813 . 7 1 1 A 67 67 THR CA C 59 62.159 63.753 -1.594 1
1 814 . 7 1 1 A 67 67 THR CB C 59 70.025 66.807 3.218 1
1 816 . 7 1 1 A 67 67 THR N N 59 104.777 117.385 -12.608 1
1 817 . 7 1 1 A 68 68 ARG H H 60 7.589 7.491 0.098 1
1 818 . 7 1 1 A 68 68 ARG HA H 60 5.044 4.774 0.270 1
1 825 . 7 1 1 A 68 68 ARG C C 60 176.482 175.411 1.071 1
1 826 . 7 1 1 A 68 68 ARG CA C 60 56.516 54.865 1.651 1
1 827 . 7 1 1 A 68 68 ARG CB C 60 34.348 32.176 2.172 1
1 830 . 7 1 1 A 68 68 ARG N N 60 122.336 122.655 -0.319 1
1 831 . 7 1 1 A 69 69 MET H H 61 9.018 8.384 0.634 1
1 832 . 7 1 1 A 69 69 MET HA H 61 4.997 5.198 -0.201 1
1 840 . 7 1 1 A 69 69 MET C C 61 172.463 174.405 -1.942 1
1 841 . 7 1 1 A 69 69 MET CA C 61 55.330 53.864 1.466 1
1 842 . 7 1 1 A 69 69 MET CB C 61 37.234 37.396 -0.162 1
1 845 . 7 1 1 A 69 69 MET N N 61 119.640 122.899 -3.259 1
1 846 . 7 1 1 A 70 70 GLU H H 62 8.996 8.737 0.259 1
1 847 . 7 1 1 A 70 70 GLU HA H 62 5.365 4.854 0.511 1
1 852 . 7 1 1 A 70 70 GLU C C 62 173.523 174.651 -1.128 1
1 853 . 7 1 1 A 70 70 GLU CA C 62 54.326 54.755 -0.429 1
1 854 . 7 1 1 A 70 70 GLU CB C 62 33.915 33.396 0.519 1
1 856 . 7 1 1 A 70 70 GLU N N 62 122.200 123.289 -1.089 1
1 857 . 7 1 1 A 71 71 LEU H H 63 8.763 9.379 -0.616 1
1 858 . 7 1 1 A 71 71 LEU HA H 63 5.222 5.388 -0.166 1
1 868 . 7 1 1 A 71 71 LEU C C 63 175.719 174.880 0.839 1
1 869 . 7 1 1 A 71 71 LEU CA C 63 53.222 53.633 -0.411 1
1 870 . 7 1 1 A 71 71 LEU CB C 63 43.781 42.918 0.863 1
1 874 . 7 1 1 A 71 71 LEU N N 63 123.741 127.195 -3.454 1
1 875 . 7 1 1 A 72 72 ILE H H 64 9.006 9.324 -0.318 1
1 876 . 7 1 1 A 72 72 ILE HA H 64 4.316 5.071 -0.755 1
1 886 . 7 1 1 A 72 72 ILE C C 64 175.349 173.544 1.805 1
1 887 . 7 1 1 A 72 72 ILE CA C 64 60.921 60.188 0.733 1
1 888 . 7 1 1 A 72 72 ILE CB C 64 39.919 40.832 -0.913 1
1 892 . 7 1 1 A 72 72 ILE N N 64 123.633 126.754 -3.121 1
1 893 . 7 1 1 A 73 73 ILE H H 65 8.601 9.078 -0.477 1
1 894 . 7 1 1 A 73 73 ILE HA H 65 4.854 4.829 0.025 1
1 904 . 7 1 1 A 73 73 ILE CA C 65 58.440 57.535 0.905 1
1 905 . 7 1 1 A 73 73 ILE CB C 65 39.820 40.806 -0.986 1
1 909 . 7 1 1 A 73 73 ILE N N 65 128.410 129.952 -1.542 1
1 910 . 7 1 1 A 74 74 PRO HA H 66 4.265 4.293 -0.028 1
1 917 . 7 1 1 A 74 74 PRO C C 66 177.170 177.453 -0.283 1
1 918 . 7 1 1 A 74 74 PRO CA C 66 64.500 64.169 0.331 1
1 919 . 7 1 1 A 74 74 PRO CB C 66 31.826 31.514 0.312 1
1 922 . 7 1 1 A 75 75 GLY H H 67 8.704 8.343 0.361 1
1 923 . 7 1 1 A 75 75 GLY HA2 H 67 3.753 3.956 -0.203 1
1 924 . 7 1 1 A 75 75 GLY HA3 H 67 4.251 3.969 0.282 1
1 925 . 7 1 1 A 75 75 GLY C C 67 174.192 175.322 -1.130 1
1 926 . 7 1 1 A 75 75 GLY CA C 67 45.479 45.667 -0.188 1
1 927 . 7 1 1 A 75 75 GLY N N 67 111.825 112.560 -0.735 1
1 928 . 7 1 1 A 76 76 GLU H H 68 8.258 7.768 0.490 1
1 929 . 7 1 1 A 76 76 GLU HA H 68 4.483 4.439 0.044 1
1 934 . 7 1 1 A 76 76 GLU C C 68 175.838 177.118 -1.280 1
1 935 . 7 1 1 A 76 76 GLU CA C 68 56.178 58.684 -2.506 1
1 936 . 7 1 1 A 76 76 GLU CB C 68 31.066 30.218 0.848 1
1 938 . 7 1 1 A 76 76 GLU N N 68 118.446 119.164 -0.718 1
1 939 . 7 1 1 A 77 77 GLN H H 69 8.102 8.320 -0.218 1
1 940 . 7 1 1 A 77 77 GLN HA H 69 4.556 4.479 0.077 1
1 947 . 7 1 1 A 77 77 GLN C C 69 175.179 175.231 -0.052 1
1 948 . 7 1 1 A 77 77 GLN CA C 69 55.633 56.655 -1.022 1
1 949 . 7 1 1 A 77 77 GLN CB C 69 31.116 28.890 2.226 1
1 951 . 7 1 1 A 77 77 GLN N N 69 117.826 119.378 -1.552 1
1 953 . 7 1 1 A 78 78 HIS H H 70 8.857 8.900 -0.043 1
1 954 . 7 1 1 A 78 78 HIS HA H 70 4.923 4.136 0.787 1
1 957 . 7 1 1 A 78 78 HIS C C 70 173.113 173.637 -0.524 1
1 958 . 7 1 1 A 78 78 HIS CA C 70 54.623 56.709 -2.086 1
1 959 . 7 1 1 A 78 78 HIS CB C 70 30.231 28.060 2.171 1
1 960 . 7 1 1 A 78 78 HIS N N 70 120.752 118.773 1.979 1
1 961 . 7 1 1 A 79 79 PHE H H 71 9.120 7.210 1.910 1
1 962 . 7 1 1 A 79 79 PHE HA H 71 4.797 4.825 -0.028 1
1 967 . 7 1 1 A 79 79 PHE C C 71 174.341 173.861 0.480 1
1 968 . 7 1 1 A 79 79 PHE CA C 71 56.191 56.345 -0.154 1
1 969 . 7 1 1 A 79 79 PHE CB C 71 40.983 39.948 1.035 1
1 970 . 7 1 1 A 79 79 PHE N N 71 124.577 118.920 5.657 1
1 971 . 7 1 1 A 80 80 TYR H H 72 8.883 8.963 -0.080 1
1 972 . 7 1 1 A 80 80 TYR HA H 72 5.142 5.143 -0.001 1
1 979 . 7 1 1 A 80 80 TYR C C 72 175.115 174.104 1.011 1
1 980 . 7 1 1 A 80 80 TYR CA C 72 57.353 56.597 0.756 1
1 981 . 7 1 1 A 80 80 TYR CB C 72 39.753 41.605 -1.852 1
1 986 . 7 1 1 A 80 80 TYR N N 72 124.010 125.316 -1.306 1
1 987 . 7 1 1 A 81 81 MET H H 73 8.824 8.685 0.139 1
1 988 . 7 1 1 A 81 81 MET HA H 73 5.983 5.002 0.981 1
1 996 . 7 1 1 A 81 81 MET C C 73 175.053 174.498 0.555 1
1 997 . 7 1 1 A 81 81 MET CA C 73 54.453 54.092 0.361 1
1 998 . 7 1 1 A 81 81 MET CB C 73 38.584 35.206 3.378 1
1 1001 . 7 1 1 A 81 81 MET N N 73 120.151 126.832 -6.681 1
1 1002 . 7 1 1 A 82 82 LYS H H 74 9.103 8.695 0.408 1
1 1003 . 7 1 1 A 82 82 LYS HA H 74 4.800 5.432 -0.632 1
1 1012 . 7 1 1 A 82 82 LYS C C 74 174.244 175.223 -0.979 1
1 1013 . 7 1 1 A 82 82 LYS CA C 74 55.314 55.492 -0.178 1
1 1014 . 7 1 1 A 82 82 LYS CB C 74 36.251 36.165 0.086 1
1 1018 . 7 1 1 A 82 82 LYS N N 74 121.097 124.227 -3.130 1
1 1019 . 7 1 1 A 83 83 ALA H H 75 8.740 8.300 0.440 1
1 1020 . 7 1 1 A 83 83 ALA HA H 75 4.786 4.698 0.088 1
1 1024 . 7 1 1 A 83 83 ALA C C 75 177.126 178.298 -1.172 1
1 1025 . 7 1 1 A 83 83 ALA CA C 75 49.893 51.406 -1.513 1
1 1026 . 7 1 1 A 83 83 ALA CB C 75 21.311 20.545 0.766 1
1 1027 . 7 1 1 A 83 83 ALA N N 75 126.624 128.181 -1.557 1
1 1028 . 7 1 1 A 84 84 VAL H H 76 9.105 8.718 0.387 1
1 1029 . 7 1 1 A 84 84 VAL HA H 76 3.835 3.762 0.073 1
1 1037 . 7 1 1 A 84 84 VAL C C 76 175.635 176.050 -0.415 1
1 1038 . 7 1 1 A 84 84 VAL CA C 76 64.888 65.976 -1.088 1
1 1039 . 7 1 1 A 84 84 VAL CB C 76 32.097 32.063 0.034 1
1 1042 . 7 1 1 A 84 84 VAL N N 76 115.195 119.568 -4.373 1
1 1043 . 7 1 1 A 85 85 ASN H H 77 7.278 7.975 -0.697 1
1 1044 . 7 1 1 A 85 85 ASN HA H 77 4.476 5.022 -0.546 1
1 1049 . 7 1 1 A 85 85 ASN C C 77 174.796 175.699 -0.903 1
1 1050 . 7 1 1 A 85 85 ASN CA C 77 52.193 51.474 0.719 1
1 1051 . 7 1 1 A 85 85 ASN CB C 77 39.702 40.461 -0.759 1
1 1052 . 7 1 1 A 85 85 ASN N N 77 109.430 115.445 -6.015 1
1 1054 . 7 1 1 A 86 86 ALA H H 78 8.681 8.738 -0.057 1
1 1055 . 7 1 1 A 86 86 ALA HA H 78 4.195 4.037 0.158 1
1 1059 . 7 1 1 A 86 86 ALA C C 78 180.157 180.059 0.098 1
1 1060 . 7 1 1 A 86 86 ALA CA C 78 54.919 55.418 -0.499 1
1 1061 . 7 1 1 A 86 86 ALA CB C 78 18.721 18.123 0.598 1
1 1062 . 7 1 1 A 86 86 ALA N N 78 121.886 121.454 0.432 1
1 1063 . 7 1 1 A 87 87 ALA H H 79 8.386 8.172 0.214 1
1 1064 . 7 1 1 A 87 87 ALA HA H 79 4.200 4.032 0.168 1
1 1068 . 7 1 1 A 87 87 ALA C C 79 181.167 180.088 1.079 1
1 1069 . 7 1 1 A 87 87 ALA CA C 79 55.195 55.233 -0.038 1
1 1070 . 7 1 1 A 87 87 ALA CB C 79 17.663 18.213 -0.550 1
1 1071 . 7 1 1 A 87 87 ALA N N 79 123.939 120.508 3.431 1
1 1072 . 7 1 1 A 88 88 GLU H H 80 8.743 8.395 0.348 1
1 1073 . 7 1 1 A 88 88 GLU HA H 80 4.260 4.090 0.170 1
1 1078 . 7 1 1 A 88 88 GLU C C 80 178.848 179.251 -0.403 1
1 1079 . 7 1 1 A 88 88 GLU CA C 80 59.191 59.552 -0.361 1
1 1080 . 7 1 1 A 88 88 GLU CB C 80 29.898 29.141 0.757 1
1 1082 . 7 1 1 A 88 88 GLU N N 80 119.694 117.957 1.737 1
1 1083 . 7 1 1 A 89 89 ARG H H 81 7.936 8.131 -0.195 1
1 1084 . 7 1 1 A 89 89 ARG HA H 81 3.780 4.079 -0.299 1
1 1087 . 7 1 1 A 89 89 ARG C C 81 177.596 178.885 -1.289 1
1 1088 . 7 1 1 A 89 89 ARG CA C 81 61.042 59.562 1.480 1
1 1089 . 7 1 1 A 89 89 ARG CB C 81 29.630 30.001 -0.371 1
1 1090 . 7 1 1 A 89 89 ARG N N 81 119.080 121.131 -2.051 1
1 1091 . 7 1 1 A 90 90 GLN H H 82 8.063 7.810 0.253 1
1 1092 . 7 1 1 A 90 90 GLN HA H 82 4.039 4.064 -0.025 1
1 1099 . 7 1 1 A 90 90 GLN C C 82 177.419 178.230 -0.811 1
1 1100 . 7 1 1 A 90 90 GLN CA C 82 59.069 59.058 0.011 1
1 1101 . 7 1 1 A 90 90 GLN CB C 82 27.786 28.273 -0.487 1
1 1103 . 7 1 1 A 90 90 GLN N N 82 118.390 118.579 -0.189 1
1 1105 . 7 1 1 A 91 91 ARG H H 83 7.700 7.582 0.118 1
1 1106 . 7 1 1 A 91 91 ARG HA H 83 3.961 3.994 -0.033 1
1 1114 . 7 1 1 A 91 91 ARG C C 83 180.016 179.027 0.989 1
1 1115 . 7 1 1 A 91 91 ARG CA C 83 59.750 59.536 0.214 1
1 1116 . 7 1 1 A 91 91 ARG CB C 83 30.401 29.685 0.716 1
1 1119 . 7 1 1 A 91 91 ARG N N 83 117.912 118.646 -0.734 1
1 1121 . 7 1 1 A 92 92 TRP H H 84 7.895 7.651 0.244 1
1 1122 . 7 1 1 A 92 92 TRP HA H 84 4.115 4.515 -0.400 1
1 1130 . 7 1 1 A 92 92 TRP C C 84 178.111 179.202 -1.091 1
1 1131 . 7 1 1 A 92 92 TRP CA C 84 61.633 59.860 1.773 1
1 1132 . 7 1 1 A 92 92 TRP CB C 84 29.032 29.556 -0.524 1
1 1137 . 7 1 1 A 92 92 TRP N N 84 119.237 121.024 -1.787 1
1 1139 . 7 1 1 A 93 93 LEU H H 85 8.988 8.812 0.176 1
1 1140 . 7 1 1 A 93 93 LEU HA H 85 3.978 4.004 -0.026 1
1 1150 . 7 1 1 A 93 93 LEU C C 85 180.925 179.685 1.240 1
1 1151 . 7 1 1 A 93 93 LEU CA C 85 58.716 57.940 0.776 1
1 1152 . 7 1 1 A 93 93 LEU CB C 85 41.506 41.211 0.295 1
1 1156 . 7 1 1 A 93 93 LEU N N 85 119.853 120.285 -0.432 1
1 1157 . 7 1 1 A 94 94 VAL H H 86 8.233 8.368 -0.135 1
1 1158 . 7 1 1 A 94 94 VAL HA H 86 3.695 3.512 0.183 1
1 1166 . 7 1 1 A 94 94 VAL C C 86 178.733 177.751 0.982 1
1 1167 . 7 1 1 A 94 94 VAL CA C 86 66.250 66.665 -0.415 1
1 1168 . 7 1 1 A 94 94 VAL CB C 86 31.886 31.504 0.382 1
1 1171 . 7 1 1 A 94 94 VAL N N 86 120.164 120.049 0.115 1
1 1172 . 7 1 1 A 95 95 ALA H H 87 7.345 7.749 -0.404 1
1 1173 . 7 1 1 A 95 95 ALA HA H 87 4.113 4.015 0.098 1
1 1177 . 7 1 1 A 95 95 ALA C C 87 180.055 180.344 -0.289 1
1 1178 . 7 1 1 A 95 95 ALA CA C 87 55.410 55.405 0.005 1
1 1179 . 7 1 1 A 95 95 ALA CB C 87 18.816 18.479 0.337 1
1 1180 . 7 1 1 A 95 95 ALA N N 87 123.818 121.664 2.154 1
1 1181 . 7 1 1 A 96 96 LEU H H 88 9.342 8.781 0.561 1
1 1182 . 7 1 1 A 96 96 LEU HA H 88 4.003 4.028 -0.025 1
1 1192 . 7 1 1 A 96 96 LEU C C 88 179.349 179.463 -0.114 1
1 1193 . 7 1 1 A 96 96 LEU CA C 88 57.786 58.173 -0.387 1
1 1194 . 7 1 1 A 96 96 LEU CB C 88 41.848 41.853 -0.005 1
1 1198 . 7 1 1 A 96 96 LEU N N 88 117.857 118.412 -0.555 1
1 1199 . 7 1 1 A 97 97 GLY H H 89 8.252 8.285 -0.033 1
1 1200 . 7 1 1 A 97 97 GLY HA2 H 89 3.819 3.842 -0.023 1
1 1201 . 7 1 1 A 97 97 GLY HA3 H 89 3.948 3.845 0.103 1
1 1202 . 7 1 1 A 97 97 GLY C C 89 176.463 176.264 0.199 1
1 1203 . 7 1 1 A 97 97 GLY CA C 89 46.620 47.389 -0.769 1
1 1204 . 7 1 1 A 97 97 GLY N N 89 105.618 106.137 -0.519 1
1 1205 . 7 1 1 A 98 98 SER H H 90 8.068 7.759 0.309 1
1 1206 . 7 1 1 A 98 98 SER HA H 90 4.377 4.136 0.241 1
1 1209 . 7 1 1 A 98 98 SER C C 90 176.144 176.629 -0.485 1
1 1210 . 7 1 1 A 98 98 SER CA C 90 60.842 61.412 -0.570 1
1 1211 . 7 1 1 A 98 98 SER CB C 90 63.116 62.507 0.609 1
1 1212 . 7 1 1 A 98 98 SER N N 90 117.602 116.427 1.175 1
1 1213 . 7 1 1 A 99 99 SER H H 91 8.036 7.637 0.399 1
1 1214 . 7 1 1 A 99 99 SER HA H 91 4.324 4.177 0.147 1
1 1217 . 7 1 1 A 99 99 SER C C 91 175.818 177.272 -1.454 1
1 1218 . 7 1 1 A 99 99 SER CA C 91 60.720 61.287 -0.567 1
1 1219 . 7 1 1 A 99 99 SER CB C 91 63.831 63.127 0.704 1
1 1220 . 7 1 1 A 99 99 SER N N 91 116.877 117.538 -0.661 1
1 1221 . 7 1 1 A 100 100 LYS H H 92 7.838 7.671 0.167 1
1 1222 . 7 1 1 A 100 100 LYS HA H 92 4.068 4.061 0.007 1
1 1231 . 7 1 1 A 100 100 LYS C C 92 177.235 177.848 -0.613 1
1 1232 . 7 1 1 A 100 100 LYS CA C 92 58.121 58.482 -0.361 1
1 1233 . 7 1 1 A 100 100 LYS CB C 92 32.263 32.035 0.228 1
1 1237 . 7 1 1 A 100 100 LYS N N 92 119.456 121.735 -2.279 1
1 1238 . 7 1 1 A 101 101 ALA H H 93 7.924 7.637 0.287 1
1 1239 . 7 1 1 A 101 101 ALA HA H 93 4.321 4.322 -0.001 1
1 1243 . 7 1 1 A 101 101 ALA C C 93 178.323 177.938 0.385 1
1 1244 . 7 1 1 A 101 101 ALA CA C 93 53.435 52.715 0.720 1
1 1245 . 7 1 1 A 101 101 ALA CB C 93 18.969 18.435 0.534 1
1 1246 . 7 1 1 A 101 101 ALA N N 93 122.054 120.551 1.503 1
1 1247 . 7 1 1 A 102 102 SER H H 94 8.061 8.426 -0.365 1
1 1248 . 7 1 1 A 102 102 SER HA H 94 4.451 4.011 0.440 1
1 1251 . 7 1 1 A 102 102 SER C C 94 174.773 173.374 1.399 1
1 1252 . 7 1 1 A 102 102 SER CA C 94 59.086 58.945 0.141 1
1 1253 . 7 1 1 A 102 102 SER CB C 94 63.766 61.125 2.641 1
1 1254 . 7 1 1 A 102 102 SER N N 94 114.102 116.018 -1.916 1
1 1255 . 7 1 1 A 103 103 LEU H H 95 8.053 7.554 0.499 1
1 1256 . 7 1 1 A 103 103 LEU HA H 95 4.507 4.187 0.320 1
1 1266 . 7 1 1 A 103 103 LEU C C 95 177.589 176.017 1.572 1
1 1267 . 7 1 1 A 103 103 LEU CA C 95 55.398 55.390 0.008 1
1 1268 . 7 1 1 A 103 103 LEU CB C 95 42.435 43.242 -0.807 1
1 1272 . 7 1 1 A 103 103 LEU N N 95 123.264 121.953 1.311 1
1 1273 . 7 1 1 A 104 104 THR H H 96 8.045 8.507 -0.462 1
1 1274 . 7 1 1 A 104 104 THR HA H 96 4.383 4.238 0.145 1
1 1279 . 7 1 1 A 104 104 THR C C 96 174.128 174.095 0.033 1
1 1280 . 7 1 1 A 104 104 THR CA C 96 61.982 62.124 -0.142 1
1 1281 . 7 1 1 A 104 104 THR CB C 96 69.938 69.587 0.351 1
1 1283 . 7 1 1 A 104 104 THR N N 96 113.833 116.493 -2.660 1
1 1284 . 7 1 1 A 105 105 ASP H H 97 8.346 8.727 -0.381 1
1 1285 . 7 1 1 A 105 105 ASP HA H 97 4.740 4.556 0.184 1
1 1288 . 7 1 1 A 105 105 ASP C C 97 176.310 175.084 1.226 1
1 1289 . 7 1 1 A 105 105 ASP CA C 97 54.300 54.391 -0.091 1
1 1290 . 7 1 1 A 105 105 ASP CB C 97 41.174 40.267 0.907 1
1 1291 . 7 1 1 A 105 105 ASP N N 97 123.107 121.071 2.036 1
1 1292 . 7 1 1 A 106 106 THR H H 98 8.147 8.372 -0.225 1
1 1293 . 7 1 1 A 106 106 THR HA H 98 4.355 4.522 -0.167 1
1 1298 . 7 1 1 A 106 106 THR C C 98 174.523 174.439 0.084 1
1 1299 . 7 1 1 A 106 106 THR CA C 98 61.937 61.614 0.323 1
1 1300 . 7 1 1 A 106 106 THR CB C 98 69.656 69.490 0.166 1
1 1302 . 7 1 1 A 106 106 THR N N 98 114.857 113.944 0.913 1
1 1303 . 7 1 1 A 107 107 ARG H H 99 8.385 8.664 -0.279 1
1 1304 . 7 1 1 A 107 107 ARG HA H 99 4.442 4.649 -0.207 1
1 1312 . 7 1 1 A 107 107 ARG C C 99 175.764 175.368 0.396 1
1 1313 . 7 1 1 A 107 107 ARG CA C 99 56.311 55.961 0.350 1
1 1314 . 7 1 1 A 107 107 ARG CB C 99 30.745 31.988 -1.243 1
1 1317 . 7 1 1 A 107 107 ARG N N 99 123.999 125.049 -1.050 1
1 1 . 8 1 1 A 2 2 PRO HA H -6 4.460 4.690 -0.230 1
1 8 . 8 1 1 A 2 2 PRO C C -6 176.875 176.201 0.674 1
1 9 . 8 1 1 A 2 2 PRO CA C -6 63.159 62.697 0.462 1
1 10 . 8 1 1 A 2 2 PRO CB C -6 32.292 31.754 0.538 1
1 13 . 8 1 1 A 3 3 LEU H H -5 8.483 8.052 0.431 1
1 14 . 8 1 1 A 3 3 LEU HA H -5 4.334 4.327 0.007 1
1 24 . 8 1 1 A 3 3 LEU C C -5 177.797 177.436 0.361 1
1 25 . 8 1 1 A 3 3 LEU CA C -5 55.474 54.815 0.659 1
1 26 . 8 1 1 A 3 3 LEU CB C -5 42.239 42.148 0.091 1
1 30 . 8 1 1 A 3 3 LEU N N -5 122.315 123.985 -1.670 1
1 31 . 8 1 1 A 4 4 GLY H H -4 8.393 8.319 0.074 1
1 32 . 8 1 1 A 4 4 GLY HA2 H -4 3.978 4.002 -0.024 1
1 33 . 8 1 1 A 4 4 GLY HA3 H -4 3.978 4.006 -0.028 1
1 34 . 8 1 1 A 4 4 GLY C C -4 173.730 173.495 0.235 1
1 35 . 8 1 1 A 4 4 GLY CA C -4 45.158 46.073 -0.915 1
1 36 . 8 1 1 A 4 4 GLY N N -4 109.911 115.247 -5.336 1
1 37 . 8 1 1 A 5 5 SER H H -3 8.162 8.015 0.147 1
1 38 . 8 1 1 A 5 5 SER HA H -3 4.764 4.758 0.006 1
1 41 . 8 1 1 A 5 5 SER CA C -3 56.323 59.285 -2.962 1
1 42 . 8 1 1 A 5 5 SER CB C -3 63.515 64.976 -1.461 1
1 43 . 8 1 1 A 5 5 SER N N -3 116.873 116.587 0.286 1
1 44 . 8 1 1 A 6 6 PRO HA H -2 4.399 4.474 -0.075 1
1 47 . 8 1 1 A 6 6 PRO C C -2 176.587 176.005 0.582 1
1 48 . 8 1 1 A 6 6 PRO CA C -2 63.552 62.325 1.227 1
1 49 . 8 1 1 A 6 6 PRO CB C -2 31.997 30.585 1.412 1
1 50 . 8 1 1 A 7 7 GLU H H -1 8.364 8.201 0.163 1
1 51 . 8 1 1 A 7 7 GLU HA H -1 4.285 4.507 -0.222 1
1 56 . 8 1 1 A 7 7 GLU C C -1 174.954 176.203 -1.249 1
1 57 . 8 1 1 A 7 7 GLU CA C -1 56.486 56.244 0.242 1
1 58 . 8 1 1 A 7 7 GLU CB C -1 29.924 30.114 -0.190 1
1 60 . 8 1 1 A 7 7 GLU N N -1 119.665 123.266 -3.601 1
1 61 . 8 1 1 A 8 8 PHE H H 0 7.872 8.990 -1.118 1
1 62 . 8 1 1 A 8 8 PHE HA H 0 5.204 5.202 0.002 1
1 67 . 8 1 1 A 8 8 PHE C C 0 174.670 174.058 0.612 1
1 68 . 8 1 1 A 8 8 PHE CA C 0 56.861 56.171 0.690 1
1 69 . 8 1 1 A 8 8 PHE CB C 0 41.874 41.459 0.415 1
1 72 . 8 1 1 A 8 8 PHE N N 0 122.497 122.087 0.410 1
1 73 . 8 1 1 A 9 9 MET H H 1 7.833 8.401 -0.568 1
1 74 . 8 1 1 A 9 9 MET HA H 1 4.095 4.917 -0.822 1
1 82 . 8 1 1 A 9 9 MET C C 1 171.191 174.073 -2.882 1
1 83 . 8 1 1 A 9 9 MET CA C 1 54.613 54.214 0.399 1
1 84 . 8 1 1 A 9 9 MET CB C 1 34.867 35.445 -0.578 1
1 87 . 8 1 1 A 9 9 MET N N 1 127.163 123.689 3.474 1
1 88 . 8 1 1 A 10 10 GLU H H 2 7.698 8.778 -1.080 1
1 89 . 8 1 1 A 10 10 GLU HA H 2 5.603 5.160 0.443 1
1 94 . 8 1 1 A 10 10 GLU C C 2 174.743 174.541 0.202 1
1 95 . 8 1 1 A 10 10 GLU CA C 2 53.345 54.444 -1.099 1
1 96 . 8 1 1 A 10 10 GLU CB C 2 32.408 33.580 -1.172 1
1 98 . 8 1 1 A 10 10 GLU N N 2 118.654 122.472 -3.818 1
1 99 . 8 1 1 A 11 11 GLY H H 3 7.994 7.429 0.565 1
1 100 . 8 1 1 A 11 11 GLY HA2 H 3 3.115 3.789 -0.674 1
1 101 . 8 1 1 A 11 11 GLY HA3 H 3 4.377 4.243 0.134 1
1 102 . 8 1 1 A 11 11 GLY C C 3 170.878 171.864 -0.986 1
1 103 . 8 1 1 A 11 11 GLY CA C 3 45.086 45.174 -0.088 1
1 104 . 8 1 1 A 11 11 GLY N N 3 108.296 106.169 2.127 1
1 105 . 8 1 1 A 12 12 VAL H H 4 8.463 8.664 -0.201 1
1 106 . 8 1 1 A 12 12 VAL HA H 4 4.969 5.623 -0.654 1
1 114 . 8 1 1 A 12 12 VAL C C 4 177.805 174.268 3.537 1
1 115 . 8 1 1 A 12 12 VAL CA C 4 62.373 59.297 3.076 1
1 116 . 8 1 1 A 12 12 VAL CB C 4 33.152 34.961 -1.809 1
1 119 . 8 1 1 A 12 12 VAL N N 4 119.624 115.884 3.740 1
1 120 . 8 1 1 A 13 13 LEU H H 5 8.647 8.981 -0.334 1
1 121 . 8 1 1 A 13 13 LEU HA H 5 4.382 5.060 -0.678 1
1 131 . 8 1 1 A 13 13 LEU C C 5 175.407 175.389 0.018 1
1 132 . 8 1 1 A 13 13 LEU CA C 5 54.139 53.737 0.402 1
1 133 . 8 1 1 A 13 13 LEU CB C 5 46.374 45.877 0.497 1
1 137 . 8 1 1 A 13 13 LEU N N 5 125.806 123.544 2.262 1
1 138 . 8 1 1 A 14 14 TYR H H 6 9.007 9.268 -0.261 1
1 139 . 8 1 1 A 14 14 TYR HA H 6 5.026 5.314 -0.288 1
1 144 . 8 1 1 A 14 14 TYR C C 6 175.047 174.778 0.269 1
1 145 . 8 1 1 A 14 14 TYR CA C 6 57.484 58.973 -1.489 1
1 146 . 8 1 1 A 14 14 TYR CB C 6 39.400 39.096 0.304 1
1 147 . 8 1 1 A 14 14 TYR N N 6 118.975 124.568 -5.593 1
1 148 . 8 1 1 A 15 15 LYS H H 7 9.549 8.672 0.877 1
1 149 . 8 1 1 A 15 15 LYS HA H 7 5.467 4.863 0.604 1
1 158 . 8 1 1 A 15 15 LYS C C 7 175.772 175.325 0.447 1
1 159 . 8 1 1 A 15 15 LYS CA C 7 54.136 54.505 -0.369 1
1 160 . 8 1 1 A 15 15 LYS CB C 7 37.043 35.364 1.679 1
1 164 . 8 1 1 A 15 15 LYS N N 7 123.867 127.877 -4.010 1
1 165 . 8 1 1 A 16 16 TRP H H 8 8.355 8.635 -0.280 1
1 166 . 8 1 1 A 16 16 TRP HA H 8 3.893 4.866 -0.973 1
1 175 . 8 1 1 A 16 16 TRP C C 8 176.038 176.491 -0.453 1
1 176 . 8 1 1 A 16 16 TRP CA C 8 57.880 55.623 2.257 1
1 177 . 8 1 1 A 16 16 TRP CB C 8 29.347 29.222 0.125 1
1 183 . 8 1 1 A 16 16 TRP N N 8 129.111 129.328 -0.217 1
1 185 . 8 1 1 A 17 17 THR H H 9 6.754 8.254 -1.500 1
1 186 . 8 1 1 A 17 17 THR HA H 9 4.127 4.246 -0.119 1
1 191 . 8 1 1 A 17 17 THR C C 9 172.153 174.538 -2.385 1
1 192 . 8 1 1 A 17 17 THR CA C 9 61.413 63.257 -1.844 1
1 193 . 8 1 1 A 17 17 THR CB C 9 69.317 68.448 0.869 1
1 195 . 8 1 1 A 17 17 THR N N 9 121.030 120.512 0.518 1
1 196 . 8 1 1 A 18 18 ASN H H 10 7.418 7.321 0.097 1
1 197 . 8 1 1 A 18 18 ASN HA H 10 4.051 4.657 -0.606 1
1 202 . 8 1 1 A 18 18 ASN C C 10 174.308 174.340 -0.032 1
1 203 . 8 1 1 A 18 18 ASN CA C 10 52.089 51.759 0.330 1
1 204 . 8 1 1 A 18 18 ASN CB C 10 39.339 40.087 -0.748 1
1 205 . 8 1 1 A 18 18 ASN N N 10 115.655 116.337 -0.682 1
1 207 . 8 1 1 A 19 19 TYR H H 11 8.348 9.140 -0.792 1
1 208 . 8 1 1 A 19 19 TYR HA H 11 4.284 4.256 0.028 1
1 215 . 8 1 1 A 19 19 TYR C C 11 175.974 177.266 -1.292 1
1 216 . 8 1 1 A 19 19 TYR CA C 11 60.774 60.885 -0.111 1
1 217 . 8 1 1 A 19 19 TYR CB C 11 37.815 37.825 -0.010 1
1 222 . 8 1 1 A 19 19 TYR N N 11 115.508 118.171 -2.663 1
1 223 . 8 1 1 A 20 20 LEU H H 12 7.827 7.657 0.170 1
1 224 . 8 1 1 A 20 20 LEU HA H 12 4.091 3.773 0.318 1
1 234 . 8 1 1 A 20 20 LEU C C 12 178.711 179.030 -0.319 1
1 235 . 8 1 1 A 20 20 LEU CA C 12 56.966 57.587 -0.621 1
1 236 . 8 1 1 A 20 20 LEU CB C 12 41.922 41.285 0.637 1
1 240 . 8 1 1 A 20 20 LEU N N 12 120.867 122.065 -1.198 1
1 241 . 8 1 1 A 21 21 THR H H 13 7.651 7.584 0.067 1
1 242 . 8 1 1 A 21 21 THR HA H 13 4.162 4.271 -0.109 1
1 247 . 8 1 1 A 21 21 THR C C 13 175.842 175.340 0.502 1
1 248 . 8 1 1 A 21 21 THR CA C 13 62.159 62.415 -0.256 1
1 249 . 8 1 1 A 21 21 THR CB C 13 69.191 70.352 -1.161 1
1 251 . 8 1 1 A 21 21 THR N N 13 108.304 107.203 1.101 1
1 252 . 8 1 1 A 22 22 GLY H H 14 7.679 8.099 -0.420 1
1 253 . 8 1 1 A 22 22 GLY HA2 H 14 2.802 3.844 -1.042 1
1 254 . 8 1 1 A 22 22 GLY HA3 H 14 3.715 4.009 -0.294 1
1 255 . 8 1 1 A 22 22 GLY C C 14 175.108 173.367 1.741 1
1 256 . 8 1 1 A 22 22 GLY CA C 14 46.131 46.970 -0.839 1
1 257 . 8 1 1 A 22 22 GLY N N 14 109.901 110.640 -0.739 1
1 258 . 8 1 1 A 23 23 TRP H H 15 8.817 7.712 1.105 1
1 259 . 8 1 1 A 23 23 TRP HA H 15 4.724 5.511 -0.787 1
1 268 . 8 1 1 A 23 23 TRP C C 15 176.569 173.920 2.649 1
1 269 . 8 1 1 A 23 23 TRP CA C 15 56.897 55.489 1.408 1
1 270 . 8 1 1 A 23 23 TRP CB C 15 29.825 33.289 -3.464 1
1 275 . 8 1 1 A 23 23 TRP N N 15 126.927 122.108 4.819 1
1 277 . 8 1 1 A 24 24 GLN H H 16 8.931 8.708 0.223 1
1 278 . 8 1 1 A 24 24 GLN HA H 16 5.186 4.296 0.890 1
1 285 . 8 1 1 A 24 24 GLN CA C 16 52.369 51.725 0.644 1
1 286 . 8 1 1 A 24 24 GLN CB C 16 31.536 30.625 0.911 1
1 288 . 8 1 1 A 24 24 GLN N N 16 122.710 120.695 2.015 1
1 290 . 8 1 1 A 25 25 PRO HA H 17 4.206 5.048 -0.842 1
1 297 . 8 1 1 A 25 25 PRO C C 17 176.918 175.980 0.938 1
1 298 . 8 1 1 A 25 25 PRO CA C 17 62.894 63.053 -0.159 1
1 299 . 8 1 1 A 25 25 PRO CB C 17 31.444 31.814 -0.370 1
1 302 . 8 1 1 A 26 26 ARG H H 18 9.041 8.644 0.397 1
1 303 . 8 1 1 A 26 26 ARG HA H 18 4.857 4.927 -0.070 1
1 310 . 8 1 1 A 26 26 ARG C C 18 173.102 174.490 -1.388 1
1 311 . 8 1 1 A 26 26 ARG CA C 18 53.273 54.494 -1.221 1
1 312 . 8 1 1 A 26 26 ARG CB C 18 34.254 33.910 0.344 1
1 315 . 8 1 1 A 26 26 ARG N N 18 123.602 122.294 1.308 1
1 316 . 8 1 1 A 27 27 TRP H H 19 8.375 8.236 0.139 1
1 317 . 8 1 1 A 27 27 TRP HA H 19 5.077 5.221 -0.144 1
1 326 . 8 1 1 A 27 27 TRP C C 19 174.728 174.591 0.137 1
1 327 . 8 1 1 A 27 27 TRP CA C 19 56.157 56.487 -0.330 1
1 328 . 8 1 1 A 27 27 TRP CB C 19 31.116 31.329 -0.213 1
1 334 . 8 1 1 A 27 27 TRP N N 19 121.669 124.804 -3.135 1
1 336 . 8 1 1 A 28 28 PHE H H 20 9.016 9.172 -0.156 1
1 337 . 8 1 1 A 28 28 PHE HA H 20 5.385 5.385 0.000 1
1 345 . 8 1 1 A 28 28 PHE C C 20 174.685 174.461 0.224 1
1 346 . 8 1 1 A 28 28 PHE CA C 20 56.699 56.400 0.299 1
1 347 . 8 1 1 A 28 28 PHE CB C 20 43.155 43.341 -0.186 1
1 353 . 8 1 1 A 28 28 PHE N N 20 128.520 126.237 2.283 1
1 354 . 8 1 1 A 29 29 VAL H H 21 9.058 9.145 -0.087 1
1 355 . 8 1 1 A 29 29 VAL HA H 21 4.681 4.990 -0.309 1
1 363 . 8 1 1 A 29 29 VAL C C 21 174.804 174.014 0.790 1
1 364 . 8 1 1 A 29 29 VAL CA C 21 61.719 59.798 1.921 1
1 365 . 8 1 1 A 29 29 VAL CB C 21 36.416 35.945 0.471 1
1 368 . 8 1 1 A 29 29 VAL N N 21 117.562 116.325 1.237 1
1 369 . 8 1 1 A 30 30 LEU H H 22 9.543 8.983 0.560 1
1 370 . 8 1 1 A 30 30 LEU HA H 22 5.311 5.209 0.102 1
1 380 . 8 1 1 A 30 30 LEU C C 22 173.506 174.955 -1.449 1
1 381 . 8 1 1 A 30 30 LEU CA C 22 53.213 53.932 -0.719 1
1 382 . 8 1 1 A 30 30 LEU CB C 22 44.939 44.196 0.743 1
1 386 . 8 1 1 A 30 30 LEU N N 22 131.939 127.514 4.425 1
1 387 . 8 1 1 A 31 31 ASP H H 23 8.513 9.299 -0.786 1
1 388 . 8 1 1 A 31 31 ASP HA H 23 5.151 4.868 0.283 1
1 391 . 8 1 1 A 31 31 ASP C C 23 176.940 175.546 1.394 1
1 392 . 8 1 1 A 31 31 ASP CA C 23 53.671 53.933 -0.262 1
1 393 . 8 1 1 A 31 31 ASP CB C 23 43.770 43.299 0.471 1
1 394 . 8 1 1 A 31 31 ASP N N 23 121.978 125.080 -3.102 1
1 395 . 8 1 1 A 32 32 ASN H H 24 9.280 9.361 -0.081 1
1 396 . 8 1 1 A 32 32 ASN HA H 24 4.421 4.327 0.094 1
1 401 . 8 1 1 A 32 32 ASN C C 24 175.044 174.562 0.482 1
1 402 . 8 1 1 A 32 32 ASN CA C 24 54.362 54.063 0.299 1
1 403 . 8 1 1 A 32 32 ASN CB C 24 37.804 37.395 0.409 1
1 404 . 8 1 1 A 32 32 ASN N N 24 125.653 125.105 0.548 1
1 406 . 8 1 1 A 33 33 GLY H H 25 8.997 8.562 0.435 1
1 407 . 8 1 1 A 33 33 GLY HA2 H 25 3.581 3.807 -0.226 1
1 408 . 8 1 1 A 33 33 GLY HA3 H 25 4.154 3.808 0.346 1
1 409 . 8 1 1 A 33 33 GLY C C 25 173.215 173.756 -0.541 1
1 410 . 8 1 1 A 33 33 GLY CA C 25 45.930 45.454 0.476 1
1 411 . 8 1 1 A 33 33 GLY N N 25 102.623 103.815 -1.192 1
1 412 . 8 1 1 A 34 34 ILE H H 26 7.955 8.074 -0.119 1
1 413 . 8 1 1 A 34 34 ILE HA H 26 4.771 4.472 0.299 1
1 423 . 8 1 1 A 34 34 ILE C C 26 174.753 173.939 0.814 1
1 424 . 8 1 1 A 34 34 ILE CA C 26 59.201 60.254 -1.053 1
1 425 . 8 1 1 A 34 34 ILE CB C 26 39.393 40.572 -1.179 1
1 429 . 8 1 1 A 34 34 ILE N N 26 122.350 122.647 -0.297 1
1 430 . 8 1 1 A 35 35 LEU H H 27 9.274 9.425 -0.151 1
1 431 . 8 1 1 A 35 35 LEU HA H 27 5.441 5.266 0.175 1
1 441 . 8 1 1 A 35 35 LEU C C 27 175.131 175.025 0.106 1
1 442 . 8 1 1 A 35 35 LEU CA C 27 53.160 53.673 -0.513 1
1 443 . 8 1 1 A 35 35 LEU CB C 27 44.532 44.606 -0.074 1
1 447 . 8 1 1 A 35 35 LEU N N 27 132.013 130.809 1.204 1
1 448 . 8 1 1 A 36 36 SER H H 28 9.668 9.144 0.524 1
1 449 . 8 1 1 A 36 36 SER HA H 28 5.379 5.263 0.116 1
1 452 . 8 1 1 A 36 36 SER C C 28 171.968 173.344 -1.376 1
1 453 . 8 1 1 A 36 36 SER CA C 28 57.345 57.800 -0.455 1
1 454 . 8 1 1 A 36 36 SER CB C 28 66.044 64.839 1.205 1
1 455 . 8 1 1 A 36 36 SER N N 28 123.682 124.972 -1.290 1
1 456 . 8 1 1 A 37 37 TYR H H 29 7.452 8.598 -1.146 1
1 457 . 8 1 1 A 37 37 TYR HA H 29 5.658 5.481 0.177 1
1 464 . 8 1 1 A 37 37 TYR C C 29 172.731 173.936 -1.205 1
1 465 . 8 1 1 A 37 37 TYR CA C 29 54.632 55.223 -0.591 1
1 466 . 8 1 1 A 37 37 TYR CB C 29 39.599 41.521 -1.922 1
1 471 . 8 1 1 A 37 37 TYR N N 29 115.554 121.751 -6.197 1
1 472 . 8 1 1 A 38 38 TYR H H 30 9.116 8.946 0.170 1
1 473 . 8 1 1 A 38 38 TYR HA H 30 4.626 4.923 -0.297 1
1 480 . 8 1 1 A 38 38 TYR C C 30 175.771 175.696 0.075 1
1 481 . 8 1 1 A 38 38 TYR CA C 30 56.194 56.395 -0.201 1
1 482 . 8 1 1 A 38 38 TYR CB C 30 43.253 43.194 0.059 1
1 487 . 8 1 1 A 38 38 TYR N N 30 117.937 118.933 -0.996 1
1 488 . 8 1 1 A 39 39 ASP H H 31 9.474 9.390 0.084 1
1 489 . 8 1 1 A 39 39 ASP HA H 31 4.624 4.546 0.078 1
1 492 . 8 1 1 A 39 39 ASP C C 31 176.264 175.933 0.331 1
1 493 . 8 1 1 A 39 39 ASP CA C 31 58.144 56.565 1.579 1
1 494 . 8 1 1 A 39 39 ASP CB C 31 40.399 42.503 -2.104 1
1 495 . 8 1 1 A 39 39 ASP N N 31 121.988 121.467 0.521 1
1 496 . 8 1 1 A 40 40 SER H H 32 7.511 7.627 -0.116 1
1 497 . 8 1 1 A 40 40 SER HA H 32 4.567 4.461 0.106 1
1 500 . 8 1 1 A 40 40 SER C C 32 173.752 173.629 0.123 1
1 501 . 8 1 1 A 40 40 SER CA C 32 57.211 56.559 0.652 1
1 502 . 8 1 1 A 40 40 SER CB C 32 65.547 64.339 1.208 1
1 503 . 8 1 1 A 40 40 SER N N 32 107.441 109.843 -2.402 1
1 504 . 8 1 1 A 41 41 GLN H H 33 8.828 8.442 0.386 1
1 505 . 8 1 1 A 41 41 GLN HA H 33 2.511 3.306 -0.795 1
1 512 . 8 1 1 A 41 41 GLN C C 33 177.001 176.378 0.623 1
1 513 . 8 1 1 A 41 41 GLN CA C 33 58.261 58.776 -0.515 1
1 514 . 8 1 1 A 41 41 GLN CB C 33 27.168 27.937 -0.769 1
1 516 . 8 1 1 A 41 41 GLN N N 33 123.170 124.364 -1.194 1
1 518 . 8 1 1 A 42 42 ASP H H 34 7.774 8.042 -0.268 1
1 519 . 8 1 1 A 42 42 ASP HA H 34 4.289 4.296 -0.007 1
1 522 . 8 1 1 A 42 42 ASP C C 34 176.567 177.680 -1.113 1
1 523 . 8 1 1 A 42 42 ASP CA C 34 55.710 56.334 -0.624 1
1 524 . 8 1 1 A 42 42 ASP CB C 34 40.459 40.791 -0.332 1
1 525 . 8 1 1 A 42 42 ASP N N 34 116.558 119.476 -2.918 1
1 526 . 8 1 1 A 43 43 ASP H H 35 7.388 7.793 -0.405 1
1 527 . 8 1 1 A 43 43 ASP HA H 35 4.755 4.345 0.410 1
1 530 . 8 1 1 A 43 43 ASP C C 35 177.129 178.581 -1.452 1
1 531 . 8 1 1 A 43 43 ASP CA C 35 54.563 56.066 -1.503 1
1 532 . 8 1 1 A 43 43 ASP CB C 35 42.434 40.745 1.689 1
1 533 . 8 1 1 A 43 43 ASP N N 35 117.173 119.476 -2.303 1
1 534 . 8 1 1 A 44 44 VAL H H 36 7.063 7.315 -0.252 1
1 535 . 8 1 1 A 44 44 VAL HA H 36 3.372 1.758 1.614 1
1 543 . 8 1 1 A 44 44 VAL C C 36 178.169 177.439 0.730 1
1 544 . 8 1 1 A 44 44 VAL CA C 36 65.325 65.647 -0.322 1
1 545 . 8 1 1 A 44 44 VAL CB C 36 31.179 31.296 -0.117 1
1 548 . 8 1 1 A 44 44 VAL N N 36 121.695 119.026 2.669 1
1 549 . 8 1 1 A 45 45 CYS H H 37 8.133 8.148 -0.015 1
1 550 . 8 1 1 A 45 45 CYS HA H 37 4.425 4.051 0.374 1
1 553 . 8 1 1 A 45 45 CYS C C 37 175.083 177.009 -1.926 1
1 554 . 8 1 1 A 45 45 CYS CA C 37 59.202 62.386 -3.184 1
1 555 . 8 1 1 A 45 45 CYS CB C 37 27.101 27.107 -0.006 1
1 556 . 8 1 1 A 45 45 CYS N N 37 115.191 119.957 -4.766 1
1 557 . 8 1 1 A 46 46 LYS H H 38 7.844 7.637 0.207 1
1 558 . 8 1 1 A 46 46 LYS HA H 38 4.428 4.017 0.411 1
1 567 . 8 1 1 A 46 46 LYS C C 38 177.049 177.720 -0.671 1
1 568 . 8 1 1 A 46 46 LYS CA C 38 56.787 57.356 -0.569 1
1 569 . 8 1 1 A 46 46 LYS CB C 38 33.119 32.487 0.632 1
1 573 . 8 1 1 A 46 46 LYS N N 38 121.496 117.654 3.842 1
1 574 . 8 1 1 A 47 47 GLY H H 39 7.759 7.713 0.046 1
1 575 . 8 1 1 A 47 47 GLY HA2 H 39 4.022 3.982 0.040 1
1 576 . 8 1 1 A 47 47 GLY HA3 H 39 4.542 4.122 0.420 1
1 577 . 8 1 1 A 47 47 GLY C C 39 173.037 174.874 -1.837 1
1 578 . 8 1 1 A 47 47 GLY CA C 39 44.261 46.451 -2.190 1
1 579 . 8 1 1 A 47 47 GLY N N 39 107.270 107.882 -0.612 1
1 580 . 8 1 1 A 48 48 SER H H 40 8.478 8.506 -0.028 1
1 581 . 8 1 1 A 48 48 SER HA H 40 3.783 4.339 -0.556 1
1 584 . 8 1 1 A 48 48 SER C C 40 175.221 174.548 0.673 1
1 585 . 8 1 1 A 48 48 SER CA C 40 57.947 59.367 -1.420 1
1 586 . 8 1 1 A 48 48 SER CB C 40 63.811 63.411 0.400 1
1 587 . 8 1 1 A 48 48 SER N N 40 116.121 116.645 -0.524 1
1 588 . 8 1 1 A 49 49 LYS H H 41 8.394 8.909 -0.515 1
1 589 . 8 1 1 A 49 49 LYS HA H 41 4.188 4.306 -0.118 1
1 598 . 8 1 1 A 49 49 LYS C C 41 176.470 176.671 -0.201 1
1 599 . 8 1 1 A 49 49 LYS CA C 41 55.331 57.543 -2.212 1
1 600 . 8 1 1 A 49 49 LYS CB C 41 32.293 32.787 -0.494 1
1 604 . 8 1 1 A 49 49 LYS N N 41 120.990 126.763 -5.773 1
1 605 . 8 1 1 A 50 50 GLY H H 42 6.747 7.730 -0.983 1
1 606 . 8 1 1 A 50 50 GLY HA2 H 42 3.531 4.180 -0.649 1
1 607 . 8 1 1 A 50 50 GLY HA3 H 42 3.884 4.220 -0.336 1
1 608 . 8 1 1 A 50 50 GLY C C 42 170.967 172.672 -1.705 1
1 609 . 8 1 1 A 50 50 GLY CA C 42 45.060 44.644 0.416 1
1 610 . 8 1 1 A 50 50 GLY N N 42 106.048 107.950 -1.902 1
1 611 . 8 1 1 A 51 51 SER H H 43 8.158 8.984 -0.826 1
1 612 . 8 1 1 A 51 51 SER HA H 43 5.343 5.319 0.024 1
1 615 . 8 1 1 A 51 51 SER C C 43 172.787 172.334 0.453 1
1 616 . 8 1 1 A 51 51 SER CA C 43 57.639 57.434 0.205 1
1 617 . 8 1 1 A 51 51 SER CB C 43 65.897 67.222 -1.325 1
1 618 . 8 1 1 A 51 51 SER N N 43 113.080 119.966 -6.886 1
1 619 . 8 1 1 A 52 52 ILE H H 44 9.306 8.972 0.334 1
1 620 . 8 1 1 A 52 52 ILE HA H 44 4.203 4.698 -0.495 1
1 630 . 8 1 1 A 52 52 ILE C C 44 174.340 174.534 -0.194 1
1 631 . 8 1 1 A 52 52 ILE CA C 44 60.326 60.435 -0.109 1
1 632 . 8 1 1 A 52 52 ILE CB C 44 42.302 39.110 3.192 1
1 636 . 8 1 1 A 52 52 ILE N N 44 123.385 121.077 2.308 1
1 637 . 8 1 1 A 53 53 LYS H H 45 8.495 8.760 -0.265 1
1 638 . 8 1 1 A 53 53 LYS HA H 45 4.444 4.593 -0.149 1
1 647 . 8 1 1 A 53 53 LYS C C 45 176.283 176.275 0.008 1
1 648 . 8 1 1 A 53 53 LYS CA C 45 56.255 56.178 0.077 1
1 649 . 8 1 1 A 53 53 LYS CB C 45 32.258 32.519 -0.261 1
1 653 . 8 1 1 A 53 53 LYS N N 45 127.498 129.179 -1.681 1
1 654 . 8 1 1 A 54 54 MET H H 46 8.190 8.328 -0.138 1
1 655 . 8 1 1 A 54 54 MET HA H 46 4.585 4.179 0.406 1
1 663 . 8 1 1 A 54 54 MET C C 46 178.779 177.951 0.828 1
1 664 . 8 1 1 A 54 54 MET CA C 46 55.549 58.587 -3.038 1
1 665 . 8 1 1 A 54 54 MET CB C 46 29.465 31.743 -2.278 1
1 668 . 8 1 1 A 54 54 MET N N 46 123.817 125.324 -1.507 1
1 669 . 8 1 1 A 55 55 ALA H H 47 8.860 7.718 1.142 1
1 670 . 8 1 1 A 55 55 ALA HA H 47 4.142 4.148 -0.006 1
1 674 . 8 1 1 A 55 55 ALA C C 47 178.752 177.787 0.965 1
1 675 . 8 1 1 A 55 55 ALA CA C 47 55.004 54.275 0.729 1
1 676 . 8 1 1 A 55 55 ALA CB C 47 19.312 18.415 0.897 1
1 677 . 8 1 1 A 55 55 ALA N N 47 119.194 120.839 -1.645 1
1 678 . 8 1 1 A 56 56 VAL H H 48 7.127 8.075 -0.948 1
1 679 . 8 1 1 A 56 56 VAL HA H 48 4.592 4.364 0.228 1
1 687 . 8 1 1 A 56 56 VAL C C 48 174.965 175.589 -0.624 1
1 688 . 8 1 1 A 56 56 VAL CA C 48 60.038 61.567 -1.529 1
1 689 . 8 1 1 A 56 56 VAL CB C 48 31.878 34.036 -2.158 1
1 692 . 8 1 1 A 56 56 VAL N N 48 105.989 116.926 -10.937 1
1 693 . 8 1 1 A 57 57 CYS H H 49 7.414 7.569 -0.155 1
1 694 . 8 1 1 A 57 57 CYS HA H 49 4.897 5.048 -0.151 1
1 697 . 8 1 1 A 57 57 CYS C C 49 173.836 173.279 0.557 1
1 698 . 8 1 1 A 57 57 CYS CA C 49 58.123 57.290 0.833 1
1 699 . 8 1 1 A 57 57 CYS CB C 49 30.078 30.770 -0.692 1
1 700 . 8 1 1 A 57 57 CYS N N 49 119.973 121.035 -1.062 1
1 701 . 8 1 1 A 58 58 GLU H H 50 8.852 9.266 -0.414 1
1 702 . 8 1 1 A 58 58 GLU HA H 50 4.674 4.711 -0.037 1
1 707 . 8 1 1 A 58 58 GLU C C 50 175.085 175.122 -0.037 1
1 708 . 8 1 1 A 58 58 GLU CA C 50 54.809 56.054 -1.245 1
1 709 . 8 1 1 A 58 58 GLU CB C 50 31.856 30.803 1.053 1
1 711 . 8 1 1 A 58 58 GLU N N 50 124.719 125.642 -0.923 1
1 712 . 8 1 1 A 59 59 ILE H H 51 8.731 8.839 -0.108 1
1 713 . 8 1 1 A 59 59 ILE HA H 51 4.625 4.964 -0.339 1
1 723 . 8 1 1 A 59 59 ILE C C 51 175.513 173.840 1.673 1
1 724 . 8 1 1 A 59 59 ILE CA C 51 60.675 60.361 0.314 1
1 725 . 8 1 1 A 59 59 ILE CB C 51 39.717 39.762 -0.045 1
1 729 . 8 1 1 A 59 59 ILE N N 51 124.286 125.742 -1.456 1
1 730 . 8 1 1 A 60 60 LYS H H 52 9.212 9.289 -0.077 1
1 731 . 8 1 1 A 60 60 LYS HA H 52 4.829 4.797 0.032 1
1 740 . 8 1 1 A 60 60 LYS C C 52 175.594 175.542 0.052 1
1 741 . 8 1 1 A 60 60 LYS CA C 52 54.490 55.718 -1.228 1
1 742 . 8 1 1 A 60 60 LYS CB C 52 34.908 32.974 1.934 1
1 746 . 8 1 1 A 60 60 LYS N N 52 128.004 129.567 -1.563 1
1 747 . 8 1 1 A 61 61 VAL H H 53 8.776 9.005 -0.229 1
1 748 . 8 1 1 A 61 61 VAL HA H 53 4.087 4.940 -0.853 1
1 756 . 8 1 1 A 61 61 VAL C C 53 175.262 174.686 0.576 1
1 757 . 8 1 1 A 61 61 VAL CA C 53 62.067 61.134 0.933 1
1 758 . 8 1 1 A 61 61 VAL CB C 53 33.296 33.537 -0.241 1
1 761 . 8 1 1 A 61 61 VAL N N 53 124.000 125.136 -1.136 1
1 762 . 8 1 1 A 62 62 HIS H H 54 7.677 8.818 -1.141 1
1 763 . 8 1 1 A 62 62 HIS HA H 54 4.456 5.286 -0.830 1
1 766 . 8 1 1 A 62 62 HIS C C 54 176.465 173.436 3.029 1
1 767 . 8 1 1 A 62 62 HIS CA C 54 57.986 55.150 2.836 1
1 768 . 8 1 1 A 62 62 HIS CB C 54 32.369 33.635 -1.266 1
1 769 . 8 1 1 A 62 62 HIS N N 54 127.177 126.969 0.208 1
1 770 . 8 1 1 A 63 63 SER H H 55 8.552 8.602 -0.050 1
1 771 . 8 1 1 A 63 63 SER HA H 55 4.251 4.351 -0.100 1
1 774 . 8 1 1 A 63 63 SER C C 55 174.509 174.002 0.507 1
1 775 . 8 1 1 A 63 63 SER CA C 55 60.312 58.855 1.457 1
1 776 . 8 1 1 A 63 63 SER CB C 55 63.609 62.892 0.717 1
1 777 . 8 1 1 A 63 63 SER N N 55 120.508 118.408 2.100 1
1 778 . 8 1 1 A 64 64 ALA H H 56 8.807 8.692 0.115 1
1 779 . 8 1 1 A 64 64 ALA HA H 56 4.553 4.586 -0.033 1
1 783 . 8 1 1 A 64 64 ALA C C 56 176.763 176.638 0.125 1
1 784 . 8 1 1 A 64 64 ALA CA C 56 53.183 53.344 -0.161 1
1 785 . 8 1 1 A 64 64 ALA CB C 56 20.619 20.226 0.393 1
1 786 . 8 1 1 A 64 64 ALA N N 56 124.728 126.039 -1.311 1
1 787 . 8 1 1 A 65 65 ASP H H 57 8.762 7.898 0.864 1
1 788 . 8 1 1 A 65 65 ASP HA H 57 4.689 4.845 -0.156 1
1 791 . 8 1 1 A 65 65 ASP C C 57 176.322 173.885 2.437 1
1 792 . 8 1 1 A 65 65 ASP CA C 57 52.911 52.770 0.141 1
1 793 . 8 1 1 A 65 65 ASP CB C 57 41.216 43.998 -2.782 1
1 794 . 8 1 1 A 65 65 ASP N N 57 120.574 114.818 5.756 1
1 795 . 8 1 1 A 66 66 ASN H H 58 8.457 8.634 -0.177 1
1 796 . 8 1 1 A 66 66 ASN HA H 58 4.580 4.500 0.080 1
1 801 . 8 1 1 A 66 66 ASN C C 58 174.296 175.451 -1.155 1
1 802 . 8 1 1 A 66 66 ASN CA C 58 54.146 53.733 0.413 1
1 803 . 8 1 1 A 66 66 ASN CB C 58 37.538 38.389 -0.851 1
1 804 . 8 1 1 A 66 66 ASN N N 58 122.233 119.835 2.398 1
1 806 . 8 1 1 A 67 67 THR H H 59 8.411 8.629 -0.218 1
1 807 . 8 1 1 A 67 67 THR HA H 59 4.284 4.255 0.029 1
1 812 . 8 1 1 A 67 67 THR C C 59 175.932 174.335 1.597 1
1 813 . 8 1 1 A 67 67 THR CA C 59 62.159 63.903 -1.744 1
1 814 . 8 1 1 A 67 67 THR CB C 59 70.025 68.140 1.885 1
1 816 . 8 1 1 A 67 67 THR N N 59 104.777 120.491 -15.714 1
1 817 . 8 1 1 A 68 68 ARG H H 60 7.589 8.540 -0.951 1
1 818 . 8 1 1 A 68 68 ARG HA H 60 5.044 4.030 1.014 1
1 825 . 8 1 1 A 68 68 ARG C C 60 176.482 175.199 1.283 1
1 826 . 8 1 1 A 68 68 ARG CA C 60 56.516 56.818 -0.302 1
1 827 . 8 1 1 A 68 68 ARG CB C 60 34.348 27.877 6.471 1
1 830 . 8 1 1 A 68 68 ARG N N 60 122.336 126.711 -4.375 1
1 831 . 8 1 1 A 69 69 MET H H 61 9.018 8.558 0.460 1
1 832 . 8 1 1 A 69 69 MET HA H 61 4.997 5.188 -0.191 1
1 840 . 8 1 1 A 69 69 MET C C 61 172.463 174.020 -1.557 1
1 841 . 8 1 1 A 69 69 MET CA C 61 55.330 53.747 1.583 1
1 842 . 8 1 1 A 69 69 MET CB C 61 37.234 37.374 -0.140 1
1 845 . 8 1 1 A 69 69 MET N N 61 119.640 121.327 -1.687 1
1 846 . 8 1 1 A 70 70 GLU H H 62 8.996 8.331 0.665 1
1 847 . 8 1 1 A 70 70 GLU HA H 62 5.365 4.893 0.472 1
1 852 . 8 1 1 A 70 70 GLU C C 62 173.523 174.675 -1.152 1
1 853 . 8 1 1 A 70 70 GLU CA C 62 54.326 54.780 -0.454 1
1 854 . 8 1 1 A 70 70 GLU CB C 62 33.915 33.332 0.583 1
1 856 . 8 1 1 A 70 70 GLU N N 62 122.200 123.185 -0.985 1
1 857 . 8 1 1 A 71 71 LEU H H 63 8.763 9.243 -0.480 1
1 858 . 8 1 1 A 71 71 LEU HA H 63 5.222 5.407 -0.185 1
1 868 . 8 1 1 A 71 71 LEU C C 63 175.719 175.080 0.639 1
1 869 . 8 1 1 A 71 71 LEU CA C 63 53.222 53.259 -0.037 1
1 870 . 8 1 1 A 71 71 LEU CB C 63 43.781 43.384 0.397 1
1 874 . 8 1 1 A 71 71 LEU N N 63 123.741 126.911 -3.170 1
1 875 . 8 1 1 A 72 72 ILE H H 64 9.006 9.439 -0.433 1
1 876 . 8 1 1 A 72 72 ILE HA H 64 4.316 5.064 -0.748 1
1 886 . 8 1 1 A 72 72 ILE C C 64 175.349 173.265 2.084 1
1 887 . 8 1 1 A 72 72 ILE CA C 64 60.921 60.188 0.733 1
1 888 . 8 1 1 A 72 72 ILE CB C 64 39.919 41.117 -1.198 1
1 892 . 8 1 1 A 72 72 ILE N N 64 123.633 126.335 -2.702 1
1 893 . 8 1 1 A 73 73 ILE H H 65 8.601 9.071 -0.470 1
1 894 . 8 1 1 A 73 73 ILE HA H 65 4.854 4.813 0.041 1
1 904 . 8 1 1 A 73 73 ILE CA C 65 58.440 57.399 1.041 1
1 905 . 8 1 1 A 73 73 ILE CB C 65 39.820 41.181 -1.361 1
1 909 . 8 1 1 A 73 73 ILE N N 65 128.410 129.664 -1.254 1
1 910 . 8 1 1 A 74 74 PRO HA H 66 4.265 4.291 -0.026 1
1 917 . 8 1 1 A 74 74 PRO C C 66 177.170 177.442 -0.272 1
1 918 . 8 1 1 A 74 74 PRO CA C 66 64.500 63.924 0.576 1
1 919 . 8 1 1 A 74 74 PRO CB C 66 31.826 31.393 0.433 1
1 922 . 8 1 1 A 75 75 GLY H H 67 8.704 8.750 -0.046 1
1 923 . 8 1 1 A 75 75 GLY HA2 H 67 3.753 3.973 -0.220 1
1 924 . 8 1 1 A 75 75 GLY HA3 H 67 4.251 3.986 0.265 1
1 925 . 8 1 1 A 75 75 GLY C C 67 174.192 175.195 -1.003 1
1 926 . 8 1 1 A 75 75 GLY CA C 67 45.479 45.736 -0.257 1
1 927 . 8 1 1 A 75 75 GLY N N 67 111.825 112.581 -0.756 1
1 928 . 8 1 1 A 76 76 GLU H H 68 8.258 8.251 0.007 1
1 929 . 8 1 1 A 76 76 GLU HA H 68 4.483 4.439 0.044 1
1 934 . 8 1 1 A 76 76 GLU C C 68 175.838 177.137 -1.299 1
1 935 . 8 1 1 A 76 76 GLU CA C 68 56.178 57.990 -1.812 1
1 936 . 8 1 1 A 76 76 GLU CB C 68 31.066 30.847 0.219 1
1 938 . 8 1 1 A 76 76 GLU N N 68 118.446 119.845 -1.399 1
1 939 . 8 1 1 A 77 77 GLN H H 69 8.102 8.300 -0.198 1
1 940 . 8 1 1 A 77 77 GLN HA H 69 4.556 4.435 0.121 1
1 947 . 8 1 1 A 77 77 GLN C C 69 175.179 175.208 -0.029 1
1 948 . 8 1 1 A 77 77 GLN CA C 69 55.633 56.768 -1.135 1
1 949 . 8 1 1 A 77 77 GLN CB C 69 31.116 28.836 2.280 1
1 951 . 8 1 1 A 77 77 GLN N N 69 117.826 118.975 -1.149 1
1 953 . 8 1 1 A 78 78 HIS H H 70 8.857 8.893 -0.036 1
1 954 . 8 1 1 A 78 78 HIS HA H 70 4.923 4.103 0.820 1
1 957 . 8 1 1 A 78 78 HIS C C 70 173.113 173.685 -0.572 1
1 958 . 8 1 1 A 78 78 HIS CA C 70 54.623 56.581 -1.958 1
1 959 . 8 1 1 A 78 78 HIS CB C 70 30.231 28.180 2.051 1
1 960 . 8 1 1 A 78 78 HIS N N 70 120.752 118.842 1.910 1
1 961 . 8 1 1 A 79 79 PHE H H 71 9.120 7.231 1.889 1
1 962 . 8 1 1 A 79 79 PHE HA H 71 4.797 4.870 -0.073 1
1 967 . 8 1 1 A 79 79 PHE C C 71 174.341 173.701 0.640 1
1 968 . 8 1 1 A 79 79 PHE CA C 71 56.191 56.326 -0.135 1
1 969 . 8 1 1 A 79 79 PHE CB C 71 40.983 40.401 0.582 1
1 970 . 8 1 1 A 79 79 PHE N N 71 124.577 118.424 6.153 1
1 971 . 8 1 1 A 80 80 TYR H H 72 8.883 9.052 -0.169 1
1 972 . 8 1 1 A 80 80 TYR HA H 72 5.142 5.191 -0.049 1
1 979 . 8 1 1 A 80 80 TYR C C 72 175.115 174.160 0.955 1
1 980 . 8 1 1 A 80 80 TYR CA C 72 57.353 56.868 0.485 1
1 981 . 8 1 1 A 80 80 TYR CB C 72 39.753 41.598 -1.845 1
1 986 . 8 1 1 A 80 80 TYR N N 72 124.010 125.453 -1.443 1
1 987 . 8 1 1 A 81 81 MET H H 73 8.824 8.780 0.044 1
1 988 . 8 1 1 A 81 81 MET HA H 73 5.983 5.106 0.877 1
1 996 . 8 1 1 A 81 81 MET C C 73 175.053 174.436 0.617 1
1 997 . 8 1 1 A 81 81 MET CA C 73 54.453 54.124 0.329 1
1 998 . 8 1 1 A 81 81 MET CB C 73 38.584 35.273 3.311 1
1 1001 . 8 1 1 A 81 81 MET N N 73 120.151 127.316 -7.165 1
1 1002 . 8 1 1 A 82 82 LYS H H 74 9.103 8.695 0.408 1
1 1003 . 8 1 1 A 82 82 LYS HA H 74 4.800 4.635 0.165 1
1 1012 . 8 1 1 A 82 82 LYS C C 74 174.244 175.223 -0.979 1
1 1013 . 8 1 1 A 82 82 LYS CA C 74 55.314 55.467 -0.153 1
1 1014 . 8 1 1 A 82 82 LYS CB C 74 36.251 36.057 0.194 1
1 1018 . 8 1 1 A 82 82 LYS N N 74 121.097 124.368 -3.271 1
1 1019 . 8 1 1 A 83 83 ALA H H 75 8.740 8.657 0.083 1
1 1020 . 8 1 1 A 83 83 ALA HA H 75 4.786 4.571 0.215 1
1 1024 . 8 1 1 A 83 83 ALA C C 75 177.126 178.426 -1.300 1
1 1025 . 8 1 1 A 83 83 ALA CA C 75 49.893 51.780 -1.887 1
1 1026 . 8 1 1 A 83 83 ALA CB C 75 21.311 20.057 1.254 1
1 1027 . 8 1 1 A 83 83 ALA N N 75 126.624 128.118 -1.494 1
1 1028 . 8 1 1 A 84 84 VAL H H 76 9.105 8.683 0.422 1
1 1029 . 8 1 1 A 84 84 VAL HA H 76 3.835 3.878 -0.043 1
1 1037 . 8 1 1 A 84 84 VAL C C 76 175.635 176.100 -0.465 1
1 1038 . 8 1 1 A 84 84 VAL CA C 76 64.888 65.386 -0.498 1
1 1039 . 8 1 1 A 84 84 VAL CB C 76 32.097 32.150 -0.053 1
1 1042 . 8 1 1 A 84 84 VAL N N 76 115.195 119.123 -3.928 1
1 1043 . 8 1 1 A 85 85 ASN H H 77 7.278 8.001 -0.723 1
1 1044 . 8 1 1 A 85 85 ASN HA H 77 4.476 5.021 -0.545 1
1 1049 . 8 1 1 A 85 85 ASN C C 77 174.796 175.388 -0.592 1
1 1050 . 8 1 1 A 85 85 ASN CA C 77 52.193 51.532 0.661 1
1 1051 . 8 1 1 A 85 85 ASN CB C 77 39.702 40.584 -0.882 1
1 1052 . 8 1 1 A 85 85 ASN N N 77 109.430 115.434 -6.004 1
1 1054 . 8 1 1 A 86 86 ALA H H 78 8.681 8.831 -0.150 1
1 1055 . 8 1 1 A 86 86 ALA HA H 78 4.195 4.033 0.162 1
1 1059 . 8 1 1 A 86 86 ALA C C 78 180.157 179.935 0.222 1
1 1060 . 8 1 1 A 86 86 ALA CA C 78 54.919 55.492 -0.573 1
1 1061 . 8 1 1 A 86 86 ALA CB C 78 18.721 18.275 0.446 1
1 1062 . 8 1 1 A 86 86 ALA N N 78 121.886 121.817 0.069 1
1 1063 . 8 1 1 A 87 87 ALA H H 79 8.386 8.007 0.379 1
1 1064 . 8 1 1 A 87 87 ALA HA H 79 4.200 4.019 0.181 1
1 1068 . 8 1 1 A 87 87 ALA C C 79 181.167 180.264 0.903 1
1 1069 . 8 1 1 A 87 87 ALA CA C 79 55.195 55.244 -0.049 1
1 1070 . 8 1 1 A 87 87 ALA CB C 79 17.663 18.334 -0.671 1
1 1071 . 8 1 1 A 87 87 ALA N N 79 123.939 119.752 4.187 1
1 1072 . 8 1 1 A 88 88 GLU H H 80 8.743 7.762 0.981 1
1 1073 . 8 1 1 A 88 88 GLU HA H 80 4.260 4.059 0.201 1
1 1078 . 8 1 1 A 88 88 GLU C C 80 178.848 179.278 -0.430 1
1 1079 . 8 1 1 A 88 88 GLU CA C 80 59.191 59.520 -0.329 1
1 1080 . 8 1 1 A 88 88 GLU CB C 80 29.898 29.312 0.586 1
1 1082 . 8 1 1 A 88 88 GLU N N 80 119.694 117.851 1.843 1
1 1083 . 8 1 1 A 89 89 ARG H H 81 7.936 8.390 -0.454 1
1 1084 . 8 1 1 A 89 89 ARG HA H 81 3.780 4.102 -0.322 1
1 1087 . 8 1 1 A 89 89 ARG C C 81 177.596 178.858 -1.262 1
1 1088 . 8 1 1 A 89 89 ARG CA C 81 61.042 59.594 1.448 1
1 1089 . 8 1 1 A 89 89 ARG CB C 81 29.630 30.076 -0.446 1
1 1090 . 8 1 1 A 89 89 ARG N N 81 119.080 120.889 -1.809 1
1 1091 . 8 1 1 A 90 90 GLN H H 82 8.063 8.111 -0.048 1
1 1092 . 8 1 1 A 90 90 GLN HA H 82 4.039 4.065 -0.026 1
1 1099 . 8 1 1 A 90 90 GLN C C 82 177.419 178.331 -0.912 1
1 1100 . 8 1 1 A 90 90 GLN CA C 82 59.069 59.080 -0.011 1
1 1101 . 8 1 1 A 90 90 GLN CB C 82 27.786 28.221 -0.435 1
1 1103 . 8 1 1 A 90 90 GLN N N 82 118.390 118.423 -0.033 1
1 1105 . 8 1 1 A 91 91 ARG H H 83 7.700 7.682 0.018 1
1 1106 . 8 1 1 A 91 91 ARG HA H 83 3.961 3.976 -0.015 1
1 1114 . 8 1 1 A 91 91 ARG C C 83 180.016 178.982 1.034 1
1 1115 . 8 1 1 A 91 91 ARG CA C 83 59.750 59.592 0.158 1
1 1116 . 8 1 1 A 91 91 ARG CB C 83 30.401 29.810 0.591 1
1 1119 . 8 1 1 A 91 91 ARG N N 83 117.912 118.725 -0.813 1
1 1121 . 8 1 1 A 92 92 TRP H H 84 7.895 7.982 -0.087 1
1 1122 . 8 1 1 A 92 92 TRP HA H 84 4.115 4.496 -0.381 1
1 1130 . 8 1 1 A 92 92 TRP C C 84 178.111 179.157 -1.046 1
1 1131 . 8 1 1 A 92 92 TRP CA C 84 61.633 59.850 1.783 1
1 1132 . 8 1 1 A 92 92 TRP CB C 84 29.032 29.376 -0.344 1
1 1137 . 8 1 1 A 92 92 TRP N N 84 119.237 121.068 -1.831 1
1 1139 . 8 1 1 A 93 93 LEU H H 85 8.988 8.924 0.064 1
1 1140 . 8 1 1 A 93 93 LEU HA H 85 3.978 3.996 -0.018 1
1 1150 . 8 1 1 A 93 93 LEU C C 85 180.925 179.699 1.226 1
1 1151 . 8 1 1 A 93 93 LEU CA C 85 58.716 57.860 0.856 1
1 1152 . 8 1 1 A 93 93 LEU CB C 85 41.506 41.315 0.191 1
1 1156 . 8 1 1 A 93 93 LEU N N 85 119.853 120.220 -0.367 1
1 1157 . 8 1 1 A 94 94 VAL H H 86 8.233 8.307 -0.074 1
1 1158 . 8 1 1 A 94 94 VAL HA H 86 3.695 3.518 0.177 1
1 1166 . 8 1 1 A 94 94 VAL C C 86 178.733 177.759 0.974 1
1 1167 . 8 1 1 A 94 94 VAL CA C 86 66.250 66.653 -0.403 1
1 1168 . 8 1 1 A 94 94 VAL CB C 86 31.886 31.508 0.378 1
1 1171 . 8 1 1 A 94 94 VAL N N 86 120.164 119.834 0.330 1
1 1172 . 8 1 1 A 95 95 ALA H H 87 7.345 7.713 -0.368 1
1 1173 . 8 1 1 A 95 95 ALA HA H 87 4.113 4.010 0.103 1
1 1177 . 8 1 1 A 95 95 ALA C C 87 180.055 180.330 -0.275 1
1 1178 . 8 1 1 A 95 95 ALA CA C 87 55.410 55.349 0.061 1
1 1179 . 8 1 1 A 95 95 ALA CB C 87 18.816 18.476 0.340 1
1 1180 . 8 1 1 A 95 95 ALA N N 87 123.818 121.587 2.231 1
1 1181 . 8 1 1 A 96 96 LEU H H 88 9.342 8.771 0.571 1
1 1182 . 8 1 1 A 96 96 LEU HA H 88 4.003 4.007 -0.004 1
1 1192 . 8 1 1 A 96 96 LEU C C 88 179.349 179.184 0.165 1
1 1193 . 8 1 1 A 96 96 LEU CA C 88 57.786 58.306 -0.520 1
1 1194 . 8 1 1 A 96 96 LEU CB C 88 41.848 41.885 -0.037 1
1 1198 . 8 1 1 A 96 96 LEU N N 88 117.857 118.372 -0.515 1
1 1199 . 8 1 1 A 97 97 GLY H H 89 8.252 8.389 -0.137 1
1 1200 . 8 1 1 A 97 97 GLY HA2 H 89 3.819 3.804 0.015 1
1 1201 . 8 1 1 A 97 97 GLY HA3 H 89 3.948 3.805 0.143 1
1 1202 . 8 1 1 A 97 97 GLY C C 89 176.463 176.541 -0.078 1
1 1203 . 8 1 1 A 97 97 GLY CA C 89 46.620 47.731 -1.111 1
1 1204 . 8 1 1 A 97 97 GLY N N 89 105.618 105.860 -0.242 1
1 1205 . 8 1 1 A 98 98 SER H H 90 8.068 7.596 0.472 1
1 1206 . 8 1 1 A 98 98 SER HA H 90 4.377 4.260 0.117 1
1 1209 . 8 1 1 A 98 98 SER C C 90 176.144 176.034 0.110 1
1 1210 . 8 1 1 A 98 98 SER CA C 90 60.842 62.343 -1.501 1
1 1211 . 8 1 1 A 98 98 SER CB C 90 63.116 62.946 0.170 1
1 1212 . 8 1 1 A 98 98 SER N N 90 117.602 119.947 -2.345 1
1 1213 . 8 1 1 A 99 99 SER H H 91 8.036 7.729 0.307 1
1 1214 . 8 1 1 A 99 99 SER HA H 91 4.324 4.182 0.142 1
1 1217 . 8 1 1 A 99 99 SER C C 91 175.818 177.055 -1.237 1
1 1218 . 8 1 1 A 99 99 SER CA C 91 60.720 61.247 -0.527 1
1 1219 . 8 1 1 A 99 99 SER CB C 91 63.831 63.025 0.806 1
1 1220 . 8 1 1 A 99 99 SER N N 91 116.877 116.666 0.211 1
1 1221 . 8 1 1 A 100 100 LYS H H 92 7.838 7.510 0.328 1
1 1222 . 8 1 1 A 100 100 LYS HA H 92 4.068 4.090 -0.022 1
1 1231 . 8 1 1 A 100 100 LYS C C 92 177.235 178.078 -0.843 1
1 1232 . 8 1 1 A 100 100 LYS CA C 92 58.121 58.948 -0.827 1
1 1233 . 8 1 1 A 100 100 LYS CB C 92 32.263 32.364 -0.101 1
1 1237 . 8 1 1 A 100 100 LYS N N 92 119.456 121.543 -2.087 1
1 1238 . 8 1 1 A 101 101 ALA H H 93 7.924 7.749 0.175 1
1 1239 . 8 1 1 A 101 101 ALA HA H 93 4.321 4.225 0.096 1
1 1243 . 8 1 1 A 101 101 ALA C C 93 178.323 177.965 0.358 1
1 1244 . 8 1 1 A 101 101 ALA CA C 93 53.435 53.157 0.278 1
1 1245 . 8 1 1 A 101 101 ALA CB C 93 18.969 18.320 0.649 1
1 1246 . 8 1 1 A 101 101 ALA N N 93 122.054 120.643 1.411 1
1 1247 . 8 1 1 A 102 102 SER H H 94 8.061 8.724 -0.663 1
1 1248 . 8 1 1 A 102 102 SER HA H 94 4.451 4.002 0.449 1
1 1251 . 8 1 1 A 102 102 SER C C 94 174.773 173.136 1.637 1
1 1252 . 8 1 1 A 102 102 SER CA C 94 59.086 58.864 0.222 1
1 1253 . 8 1 1 A 102 102 SER CB C 94 63.766 61.479 2.287 1
1 1254 . 8 1 1 A 102 102 SER N N 94 114.102 114.866 -0.764 1
1 1255 . 8 1 1 A 103 103 LEU H H 95 8.053 7.891 0.162 1
1 1256 . 8 1 1 A 103 103 LEU HA H 95 4.507 4.456 0.051 1
1 1266 . 8 1 1 A 103 103 LEU C C 95 177.589 175.932 1.657 1
1 1267 . 8 1 1 A 103 103 LEU CA C 95 55.398 52.990 2.408 1
1 1268 . 8 1 1 A 103 103 LEU CB C 95 42.435 44.319 -1.884 1
1 1272 . 8 1 1 A 103 103 LEU N N 95 123.264 120.942 2.322 1
1 1273 . 8 1 1 A 104 104 THR H H 96 8.045 8.591 -0.546 1
1 1274 . 8 1 1 A 104 104 THR HA H 96 4.383 4.434 -0.051 1
1 1279 . 8 1 1 A 104 104 THR C C 96 174.128 173.824 0.304 1
1 1280 . 8 1 1 A 104 104 THR CA C 96 61.982 61.285 0.697 1
1 1281 . 8 1 1 A 104 104 THR CB C 96 69.938 71.184 -1.246 1
1 1283 . 8 1 1 A 104 104 THR N N 96 113.833 114.643 -0.810 1
1 1284 . 8 1 1 A 105 105 ASP H H 97 8.346 8.633 -0.287 1
1 1285 . 8 1 1 A 105 105 ASP HA H 97 4.740 4.630 0.110 1
1 1288 . 8 1 1 A 105 105 ASP C C 97 176.310 176.887 -0.577 1
1 1289 . 8 1 1 A 105 105 ASP CA C 97 54.300 53.348 0.952 1
1 1290 . 8 1 1 A 105 105 ASP CB C 97 41.174 41.710 -0.536 1
1 1291 . 8 1 1 A 105 105 ASP N N 97 123.107 122.383 0.724 1
1 1292 . 8 1 1 A 106 106 THR H H 98 8.147 8.836 -0.689 1
1 1293 . 8 1 1 A 106 106 THR HA H 98 4.355 4.055 0.300 1
1 1298 . 8 1 1 A 106 106 THR C C 98 174.523 173.696 0.827 1
1 1299 . 8 1 1 A 106 106 THR CA C 98 61.937 62.981 -1.044 1
1 1300 . 8 1 1 A 106 106 THR CB C 98 69.656 66.493 3.163 1
1 1302 . 8 1 1 A 106 106 THR N N 98 114.857 117.829 -2.972 1
1 1303 . 8 1 1 A 107 107 ARG H H 99 8.385 8.280 0.105 1
1 1304 . 8 1 1 A 107 107 ARG HA H 99 4.442 4.675 -0.233 1
1 1312 . 8 1 1 A 107 107 ARG C C 99 175.764 176.122 -0.358 1
1 1313 . 8 1 1 A 107 107 ARG CA C 99 56.311 55.154 1.157 1
1 1314 . 8 1 1 A 107 107 ARG CB C 99 30.745 30.151 0.594 1
1 1317 . 8 1 1 A 107 107 ARG N N 99 123.999 121.739 2.260 1
1 1 . 9 1 1 A 2 2 PRO HA H -6 4.460 4.838 -0.378 1
1 8 . 9 1 1 A 2 2 PRO C C -6 176.875 175.193 1.682 1
1 9 . 9 1 1 A 2 2 PRO CA C -6 63.159 62.384 0.775 1
1 10 . 9 1 1 A 2 2 PRO CB C -6 32.292 31.233 1.059 1
1 13 . 9 1 1 A 3 3 LEU H H -5 8.483 8.643 -0.160 1
1 14 . 9 1 1 A 3 3 LEU HA H -5 4.334 4.762 -0.428 1
1 24 . 9 1 1 A 3 3 LEU C C -5 177.797 176.959 0.838 1
1 25 . 9 1 1 A 3 3 LEU CA C -5 55.474 53.631 1.843 1
1 26 . 9 1 1 A 3 3 LEU CB C -5 42.239 43.629 -1.390 1
1 30 . 9 1 1 A 3 3 LEU N N -5 122.315 124.011 -1.696 1
1 31 . 9 1 1 A 4 4 GLY H H -4 8.393 8.922 -0.529 1
1 32 . 9 1 1 A 4 4 GLY HA2 H -4 3.978 3.969 0.009 1
1 33 . 9 1 1 A 4 4 GLY HA3 H -4 3.978 3.971 0.007 1
1 34 . 9 1 1 A 4 4 GLY C C -4 173.730 173.975 -0.245 1
1 35 . 9 1 1 A 4 4 GLY CA C -4 45.158 45.951 -0.793 1
1 36 . 9 1 1 A 4 4 GLY N N -4 109.911 115.973 -6.062 1
1 37 . 9 1 1 A 5 5 SER H H -3 8.162 7.845 0.317 1
1 38 . 9 1 1 A 5 5 SER HA H -3 4.764 4.808 -0.044 1
1 41 . 9 1 1 A 5 5 SER CA C -3 56.323 55.357 0.966 1
1 42 . 9 1 1 A 5 5 SER CB C -3 63.515 63.959 -0.444 1
1 43 . 9 1 1 A 5 5 SER N N -3 116.873 117.693 -0.820 1
1 44 . 9 1 1 A 6 6 PRO HA H -2 4.399 4.565 -0.166 1
1 47 . 9 1 1 A 6 6 PRO C C -2 176.587 177.065 -0.478 1
1 48 . 9 1 1 A 6 6 PRO CA C -2 63.552 62.953 0.599 1
1 49 . 9 1 1 A 6 6 PRO CB C -2 31.997 32.133 -0.136 1
1 50 . 9 1 1 A 7 7 GLU H H -1 8.364 8.431 -0.067 1
1 51 . 9 1 1 A 7 7 GLU HA H -1 4.285 4.585 -0.300 1
1 56 . 9 1 1 A 7 7 GLU C C -1 174.954 175.627 -0.673 1
1 57 . 9 1 1 A 7 7 GLU CA C -1 56.486 56.672 -0.186 1
1 58 . 9 1 1 A 7 7 GLU CB C -1 29.924 30.222 -0.298 1
1 60 . 9 1 1 A 7 7 GLU N N -1 119.665 122.040 -2.375 1
1 61 . 9 1 1 A 8 8 PHE H H 0 7.872 8.844 -0.972 1
1 62 . 9 1 1 A 8 8 PHE HA H 0 5.204 5.271 -0.067 1
1 67 . 9 1 1 A 8 8 PHE C C 0 174.670 173.946 0.724 1
1 68 . 9 1 1 A 8 8 PHE CA C 0 56.861 56.287 0.574 1
1 69 . 9 1 1 A 8 8 PHE CB C 0 41.874 41.882 -0.008 1
1 72 . 9 1 1 A 8 8 PHE N N 0 122.497 124.056 -1.559 1
1 73 . 9 1 1 A 9 9 MET H H 1 7.833 8.517 -0.684 1
1 74 . 9 1 1 A 9 9 MET HA H 1 4.095 4.711 -0.616 1
1 82 . 9 1 1 A 9 9 MET C C 1 171.191 174.291 -3.100 1
1 83 . 9 1 1 A 9 9 MET CA C 1 54.613 53.653 0.960 1
1 84 . 9 1 1 A 9 9 MET CB C 1 34.867 35.397 -0.530 1
1 87 . 9 1 1 A 9 9 MET N N 1 127.163 127.334 -0.171 1
1 88 . 9 1 1 A 10 10 GLU H H 2 7.698 8.647 -0.949 1
1 89 . 9 1 1 A 10 10 GLU HA H 2 5.603 4.895 0.708 1
1 94 . 9 1 1 A 10 10 GLU C C 2 174.743 174.366 0.377 1
1 95 . 9 1 1 A 10 10 GLU CA C 2 53.345 54.336 -0.991 1
1 96 . 9 1 1 A 10 10 GLU CB C 2 32.408 33.380 -0.972 1
1 98 . 9 1 1 A 10 10 GLU N N 2 118.654 122.965 -4.311 1
1 99 . 9 1 1 A 11 11 GLY H H 3 7.994 7.123 0.871 1
1 100 . 9 1 1 A 11 11 GLY HA2 H 3 3.115 3.608 -0.493 1
1 101 . 9 1 1 A 11 11 GLY HA3 H 3 4.377 4.108 0.269 1
1 102 . 9 1 1 A 11 11 GLY C C 3 170.878 171.627 -0.749 1
1 103 . 9 1 1 A 11 11 GLY CA C 3 45.086 44.357 0.729 1
1 104 . 9 1 1 A 11 11 GLY N N 3 108.296 106.375 1.921 1
1 105 . 9 1 1 A 12 12 VAL H H 4 8.463 8.456 0.007 1
1 106 . 9 1 1 A 12 12 VAL HA H 4 4.969 5.460 -0.491 1
1 114 . 9 1 1 A 12 12 VAL C C 4 177.805 174.225 3.580 1
1 115 . 9 1 1 A 12 12 VAL CA C 4 62.373 59.108 3.265 1
1 116 . 9 1 1 A 12 12 VAL CB C 4 33.152 35.430 -2.278 1
1 119 . 9 1 1 A 12 12 VAL N N 4 119.624 116.362 3.262 1
1 120 . 9 1 1 A 13 13 LEU H H 5 8.647 9.095 -0.448 1
1 121 . 9 1 1 A 13 13 LEU HA H 5 4.382 4.885 -0.503 1
1 131 . 9 1 1 A 13 13 LEU C C 5 175.407 175.363 0.044 1
1 132 . 9 1 1 A 13 13 LEU CA C 5 54.139 53.621 0.518 1
1 133 . 9 1 1 A 13 13 LEU CB C 5 46.374 45.842 0.532 1
1 137 . 9 1 1 A 13 13 LEU N N 5 125.806 122.801 3.005 1
1 138 . 9 1 1 A 14 14 TYR H H 6 9.007 9.025 -0.018 1
1 139 . 9 1 1 A 14 14 TYR HA H 6 5.026 5.316 -0.290 1
1 144 . 9 1 1 A 14 14 TYR C C 6 175.047 174.650 0.397 1
1 145 . 9 1 1 A 14 14 TYR CA C 6 57.484 59.348 -1.864 1
1 146 . 9 1 1 A 14 14 TYR CB C 6 39.400 39.137 0.263 1
1 147 . 9 1 1 A 14 14 TYR N N 6 118.975 124.096 -5.121 1
1 148 . 9 1 1 A 15 15 LYS H H 7 9.549 8.958 0.591 1
1 149 . 9 1 1 A 15 15 LYS HA H 7 5.467 4.761 0.706 1
1 158 . 9 1 1 A 15 15 LYS C C 7 175.772 175.491 0.281 1
1 159 . 9 1 1 A 15 15 LYS CA C 7 54.136 54.537 -0.401 1
1 160 . 9 1 1 A 15 15 LYS CB C 7 37.043 35.216 1.827 1
1 164 . 9 1 1 A 15 15 LYS N N 7 123.867 127.975 -4.108 1
1 165 . 9 1 1 A 16 16 TRP H H 8 8.355 8.650 -0.295 1
1 166 . 9 1 1 A 16 16 TRP HA H 8 3.893 4.761 -0.868 1
1 175 . 9 1 1 A 16 16 TRP C C 8 176.038 176.137 -0.099 1
1 176 . 9 1 1 A 16 16 TRP CA C 8 57.880 57.870 0.010 1
1 177 . 9 1 1 A 16 16 TRP CB C 8 29.347 30.400 -1.053 1
1 183 . 9 1 1 A 16 16 TRP N N 8 129.111 129.723 -0.612 1
1 185 . 9 1 1 A 17 17 THR H H 9 6.754 8.415 -1.661 1
1 186 . 9 1 1 A 17 17 THR HA H 9 4.127 4.399 -0.272 1
1 191 . 9 1 1 A 17 17 THR C C 9 172.153 174.207 -2.054 1
1 192 . 9 1 1 A 17 17 THR CA C 9 61.413 61.959 -0.546 1
1 193 . 9 1 1 A 17 17 THR CB C 9 69.317 69.467 -0.150 1
1 195 . 9 1 1 A 17 17 THR N N 9 121.030 118.144 2.886 1
1 196 . 9 1 1 A 18 18 ASN H H 10 7.418 6.957 0.461 1
1 197 . 9 1 1 A 18 18 ASN HA H 10 4.051 5.072 -1.021 1
1 202 . 9 1 1 A 18 18 ASN C C 10 174.308 175.153 -0.845 1
1 203 . 9 1 1 A 18 18 ASN CA C 10 52.089 51.707 0.382 1
1 204 . 9 1 1 A 18 18 ASN CB C 10 39.339 42.127 -2.788 1
1 205 . 9 1 1 A 18 18 ASN N N 10 115.655 116.842 -1.187 1
1 207 . 9 1 1 A 19 19 TYR H H 11 8.348 9.275 -0.927 1
1 208 . 9 1 1 A 19 19 TYR HA H 11 4.284 4.298 -0.014 1
1 215 . 9 1 1 A 19 19 TYR C C 11 175.974 177.290 -1.316 1
1 216 . 9 1 1 A 19 19 TYR CA C 11 60.774 60.071 0.703 1
1 217 . 9 1 1 A 19 19 TYR CB C 11 37.815 38.163 -0.348 1
1 222 . 9 1 1 A 19 19 TYR N N 11 115.508 121.169 -5.661 1
1 223 . 9 1 1 A 20 20 LEU H H 12 7.827 7.851 -0.024 1
1 224 . 9 1 1 A 20 20 LEU HA H 12 4.091 3.623 0.468 1
1 234 . 9 1 1 A 20 20 LEU C C 12 178.711 179.251 -0.540 1
1 235 . 9 1 1 A 20 20 LEU CA C 12 56.966 57.476 -0.510 1
1 236 . 9 1 1 A 20 20 LEU CB C 12 41.922 41.620 0.302 1
1 240 . 9 1 1 A 20 20 LEU N N 12 120.867 122.094 -1.227 1
1 241 . 9 1 1 A 21 21 THR H H 13 7.651 7.675 -0.024 1
1 242 . 9 1 1 A 21 21 THR HA H 13 4.162 4.249 -0.087 1
1 247 . 9 1 1 A 21 21 THR C C 13 175.842 174.753 1.089 1
1 248 . 9 1 1 A 21 21 THR CA C 13 62.159 62.493 -0.334 1
1 249 . 9 1 1 A 21 21 THR CB C 13 69.191 70.239 -1.048 1
1 251 . 9 1 1 A 21 21 THR N N 13 108.304 107.358 0.946 1
1 252 . 9 1 1 A 22 22 GLY H H 14 7.679 8.243 -0.564 1
1 253 . 9 1 1 A 22 22 GLY HA2 H 14 2.802 3.954 -1.152 1
1 254 . 9 1 1 A 22 22 GLY HA3 H 14 3.715 4.079 -0.364 1
1 255 . 9 1 1 A 22 22 GLY C C 14 175.108 173.162 1.946 1
1 256 . 9 1 1 A 22 22 GLY CA C 14 46.131 46.285 -0.154 1
1 257 . 9 1 1 A 22 22 GLY N N 14 109.901 110.162 -0.261 1
1 258 . 9 1 1 A 23 23 TRP H H 15 8.817 8.276 0.541 1
1 259 . 9 1 1 A 23 23 TRP HA H 15 4.724 5.572 -0.848 1
1 268 . 9 1 1 A 23 23 TRP C C 15 176.569 173.832 2.737 1
1 269 . 9 1 1 A 23 23 TRP CA C 15 56.897 55.411 1.486 1
1 270 . 9 1 1 A 23 23 TRP CB C 15 29.825 33.333 -3.508 1
1 275 . 9 1 1 A 23 23 TRP N N 15 126.927 122.498 4.429 1
1 277 . 9 1 1 A 24 24 GLN H H 16 8.931 8.928 0.003 1
1 278 . 9 1 1 A 24 24 GLN HA H 16 5.186 4.376 0.810 1
1 285 . 9 1 1 A 24 24 GLN CA C 16 52.369 51.768 0.601 1
1 286 . 9 1 1 A 24 24 GLN CB C 16 31.536 30.436 1.100 1
1 288 . 9 1 1 A 24 24 GLN N N 16 122.710 120.170 2.540 1
1 290 . 9 1 1 A 25 25 PRO HA H 17 4.206 4.950 -0.744 1
1 297 . 9 1 1 A 25 25 PRO C C 17 176.918 175.987 0.931 1
1 298 . 9 1 1 A 25 25 PRO CA C 17 62.894 63.253 -0.359 1
1 299 . 9 1 1 A 25 25 PRO CB C 17 31.444 31.778 -0.334 1
1 302 . 9 1 1 A 26 26 ARG H H 18 9.041 8.836 0.205 1
1 303 . 9 1 1 A 26 26 ARG HA H 18 4.857 4.960 -0.103 1
1 310 . 9 1 1 A 26 26 ARG C C 18 173.102 174.487 -1.385 1
1 311 . 9 1 1 A 26 26 ARG CA C 18 53.273 54.589 -1.316 1
1 312 . 9 1 1 A 26 26 ARG CB C 18 34.254 34.181 0.073 1
1 315 . 9 1 1 A 26 26 ARG N N 18 123.602 123.334 0.268 1
1 316 . 9 1 1 A 27 27 TRP H H 19 8.375 8.758 -0.383 1
1 317 . 9 1 1 A 27 27 TRP HA H 19 5.077 5.329 -0.252 1
1 326 . 9 1 1 A 27 27 TRP C C 19 174.728 174.720 0.008 1
1 327 . 9 1 1 A 27 27 TRP CA C 19 56.157 56.552 -0.395 1
1 328 . 9 1 1 A 27 27 TRP CB C 19 31.116 31.375 -0.259 1
1 334 . 9 1 1 A 27 27 TRP N N 19 121.669 124.860 -3.191 1
1 336 . 9 1 1 A 28 28 PHE H H 20 9.016 9.189 -0.173 1
1 337 . 9 1 1 A 28 28 PHE HA H 20 5.385 5.391 -0.006 1
1 345 . 9 1 1 A 28 28 PHE C C 20 174.685 174.540 0.145 1
1 346 . 9 1 1 A 28 28 PHE CA C 20 56.699 56.379 0.320 1
1 347 . 9 1 1 A 28 28 PHE CB C 20 43.155 42.873 0.282 1
1 353 . 9 1 1 A 28 28 PHE N N 20 128.520 126.273 2.247 1
1 354 . 9 1 1 A 29 29 VAL H H 21 9.058 9.168 -0.110 1
1 355 . 9 1 1 A 29 29 VAL HA H 21 4.681 5.111 -0.430 1
1 363 . 9 1 1 A 29 29 VAL C C 21 174.804 173.997 0.807 1
1 364 . 9 1 1 A 29 29 VAL CA C 21 61.719 59.854 1.865 1
1 365 . 9 1 1 A 29 29 VAL CB C 21 36.416 36.010 0.406 1
1 368 . 9 1 1 A 29 29 VAL N N 21 117.562 116.445 1.117 1
1 369 . 9 1 1 A 30 30 LEU H H 22 9.543 9.119 0.424 1
1 370 . 9 1 1 A 30 30 LEU HA H 22 5.311 5.232 0.079 1
1 380 . 9 1 1 A 30 30 LEU C C 22 173.506 175.101 -1.595 1
1 381 . 9 1 1 A 30 30 LEU CA C 22 53.213 53.938 -0.725 1
1 382 . 9 1 1 A 30 30 LEU CB C 22 44.939 44.196 0.743 1
1 386 . 9 1 1 A 30 30 LEU N N 22 131.939 127.461 4.478 1
1 387 . 9 1 1 A 31 31 ASP H H 23 8.513 9.454 -0.941 1
1 388 . 9 1 1 A 31 31 ASP HA H 23 5.151 5.065 0.086 1
1 391 . 9 1 1 A 31 31 ASP C C 23 176.940 175.638 1.302 1
1 392 . 9 1 1 A 31 31 ASP CA C 23 53.671 54.160 -0.489 1
1 393 . 9 1 1 A 31 31 ASP CB C 23 43.770 43.449 0.321 1
1 394 . 9 1 1 A 31 31 ASP N N 23 121.978 124.901 -2.923 1
1 395 . 9 1 1 A 32 32 ASN H H 24 9.280 9.583 -0.303 1
1 396 . 9 1 1 A 32 32 ASN HA H 24 4.421 4.413 0.008 1
1 401 . 9 1 1 A 32 32 ASN C C 24 175.044 174.516 0.528 1
1 402 . 9 1 1 A 32 32 ASN CA C 24 54.362 54.150 0.212 1
1 403 . 9 1 1 A 32 32 ASN CB C 24 37.804 37.581 0.223 1
1 404 . 9 1 1 A 32 32 ASN N N 24 125.653 125.333 0.320 1
1 406 . 9 1 1 A 33 33 GLY H H 25 8.997 8.678 0.319 1
1 407 . 9 1 1 A 33 33 GLY HA2 H 25 3.581 3.879 -0.298 1
1 408 . 9 1 1 A 33 33 GLY HA3 H 25 4.154 3.882 0.272 1
1 409 . 9 1 1 A 33 33 GLY C C 25 173.215 173.793 -0.578 1
1 410 . 9 1 1 A 33 33 GLY CA C 25 45.930 45.426 0.504 1
1 411 . 9 1 1 A 33 33 GLY N N 25 102.623 104.105 -1.482 1
1 412 . 9 1 1 A 34 34 ILE H H 26 7.955 7.924 0.031 1
1 413 . 9 1 1 A 34 34 ILE HA H 26 4.771 4.502 0.269 1
1 423 . 9 1 1 A 34 34 ILE C C 26 174.753 173.859 0.894 1
1 424 . 9 1 1 A 34 34 ILE CA C 26 59.201 60.307 -1.106 1
1 425 . 9 1 1 A 34 34 ILE CB C 26 39.393 40.720 -1.327 1
1 429 . 9 1 1 A 34 34 ILE N N 26 122.350 122.647 -0.297 1
1 430 . 9 1 1 A 35 35 LEU H H 27 9.274 9.531 -0.257 1
1 431 . 9 1 1 A 35 35 LEU HA H 27 5.441 5.336 0.105 1
1 441 . 9 1 1 A 35 35 LEU C C 27 175.131 175.698 -0.567 1
1 442 . 9 1 1 A 35 35 LEU CA C 27 53.160 53.647 -0.487 1
1 443 . 9 1 1 A 35 35 LEU CB C 27 44.532 44.733 -0.201 1
1 447 . 9 1 1 A 35 35 LEU N N 27 132.013 130.755 1.258 1
1 448 . 9 1 1 A 36 36 SER H H 28 9.668 9.212 0.456 1
1 449 . 9 1 1 A 36 36 SER HA H 28 5.379 5.476 -0.097 1
1 452 . 9 1 1 A 36 36 SER C C 28 171.968 173.606 -1.638 1
1 453 . 9 1 1 A 36 36 SER CA C 28 57.345 55.730 1.615 1
1 454 . 9 1 1 A 36 36 SER CB C 28 66.044 66.185 -0.141 1
1 455 . 9 1 1 A 36 36 SER N N 28 123.682 121.550 2.132 1
1 456 . 9 1 1 A 37 37 TYR H H 29 7.452 7.867 -0.415 1
1 457 . 9 1 1 A 37 37 TYR HA H 29 5.658 5.616 0.042 1
1 464 . 9 1 1 A 37 37 TYR C C 29 172.731 173.599 -0.868 1
1 465 . 9 1 1 A 37 37 TYR CA C 29 54.632 55.084 -0.452 1
1 466 . 9 1 1 A 37 37 TYR CB C 29 39.599 41.567 -1.968 1
1 471 . 9 1 1 A 37 37 TYR N N 29 115.554 118.600 -3.046 1
1 472 . 9 1 1 A 38 38 TYR H H 30 9.116 8.983 0.133 1
1 473 . 9 1 1 A 38 38 TYR HA H 30 4.626 4.897 -0.271 1
1 480 . 9 1 1 A 38 38 TYR C C 30 175.771 175.252 0.519 1
1 481 . 9 1 1 A 38 38 TYR CA C 30 56.194 56.701 -0.507 1
1 482 . 9 1 1 A 38 38 TYR CB C 30 43.253 42.924 0.329 1
1 487 . 9 1 1 A 38 38 TYR N N 30 117.937 119.353 -1.416 1
1 488 . 9 1 1 A 39 39 ASP H H 31 9.474 9.762 -0.288 1
1 489 . 9 1 1 A 39 39 ASP HA H 31 4.624 4.553 0.071 1
1 492 . 9 1 1 A 39 39 ASP C C 31 176.264 175.526 0.738 1
1 493 . 9 1 1 A 39 39 ASP CA C 31 58.144 56.561 1.583 1
1 494 . 9 1 1 A 39 39 ASP CB C 31 40.399 41.557 -1.158 1
1 495 . 9 1 1 A 39 39 ASP N N 31 121.988 122.409 -0.421 1
1 496 . 9 1 1 A 40 40 SER H H 32 7.511 7.832 -0.321 1
1 497 . 9 1 1 A 40 40 SER HA H 32 4.567 4.705 -0.138 1
1 500 . 9 1 1 A 40 40 SER C C 32 173.752 173.987 -0.235 1
1 501 . 9 1 1 A 40 40 SER CA C 32 57.211 57.275 -0.064 1
1 502 . 9 1 1 A 40 40 SER CB C 32 65.547 66.888 -1.341 1
1 503 . 9 1 1 A 40 40 SER N N 32 107.441 110.833 -3.392 1
1 504 . 9 1 1 A 41 41 GLN H H 33 8.828 8.375 0.453 1
1 505 . 9 1 1 A 41 41 GLN HA H 33 2.511 3.029 -0.518 1
1 512 . 9 1 1 A 41 41 GLN C C 33 177.001 176.415 0.586 1
1 513 . 9 1 1 A 41 41 GLN CA C 33 58.261 58.929 -0.668 1
1 514 . 9 1 1 A 41 41 GLN CB C 33 27.168 28.146 -0.978 1
1 516 . 9 1 1 A 41 41 GLN N N 33 123.170 122.472 0.698 1
1 518 . 9 1 1 A 42 42 ASP H H 34 7.774 8.154 -0.380 1
1 519 . 9 1 1 A 42 42 ASP HA H 34 4.289 4.223 0.066 1
1 522 . 9 1 1 A 42 42 ASP C C 34 176.567 177.911 -1.344 1
1 523 . 9 1 1 A 42 42 ASP CA C 34 55.710 57.575 -1.865 1
1 524 . 9 1 1 A 42 42 ASP CB C 34 40.459 41.773 -1.314 1
1 525 . 9 1 1 A 42 42 ASP N N 34 116.558 119.671 -3.113 1
1 526 . 9 1 1 A 43 43 ASP H H 35 7.388 7.980 -0.592 1
1 527 . 9 1 1 A 43 43 ASP HA H 35 4.755 4.351 0.404 1
1 530 . 9 1 1 A 43 43 ASP C C 35 177.129 178.783 -1.654 1
1 531 . 9 1 1 A 43 43 ASP CA C 35 54.563 56.385 -1.822 1
1 532 . 9 1 1 A 43 43 ASP CB C 35 42.434 41.430 1.004 1
1 533 . 9 1 1 A 43 43 ASP N N 35 117.173 119.375 -2.202 1
1 534 . 9 1 1 A 44 44 VAL H H 36 7.063 7.508 -0.445 1
1 535 . 9 1 1 A 44 44 VAL HA H 36 3.372 1.967 1.405 1
1 543 . 9 1 1 A 44 44 VAL C C 36 178.169 178.574 -0.405 1
1 544 . 9 1 1 A 44 44 VAL CA C 36 65.325 65.696 -0.371 1
1 545 . 9 1 1 A 44 44 VAL CB C 36 31.179 31.168 0.011 1
1 548 . 9 1 1 A 44 44 VAL N N 36 121.695 118.862 2.833 1
1 549 . 9 1 1 A 45 45 CYS H H 37 8.133 7.969 0.164 1
1 550 . 9 1 1 A 45 45 CYS HA H 37 4.425 4.174 0.251 1
1 553 . 9 1 1 A 45 45 CYS C C 37 175.083 177.377 -2.294 1
1 554 . 9 1 1 A 45 45 CYS CA C 37 59.202 61.911 -2.709 1
1 555 . 9 1 1 A 45 45 CYS CB C 37 27.101 26.048 1.053 1
1 556 . 9 1 1 A 45 45 CYS N N 37 115.191 117.563 -2.372 1
1 557 . 9 1 1 A 46 46 LYS H H 38 7.844 7.606 0.238 1
1 558 . 9 1 1 A 46 46 LYS HA H 38 4.428 4.030 0.398 1
1 567 . 9 1 1 A 46 46 LYS C C 38 177.049 177.318 -0.269 1
1 568 . 9 1 1 A 46 46 LYS CA C 38 56.787 57.059 -0.272 1
1 569 . 9 1 1 A 46 46 LYS CB C 38 33.119 32.611 0.508 1
1 573 . 9 1 1 A 46 46 LYS N N 38 121.496 118.052 3.444 1
1 574 . 9 1 1 A 47 47 GLY H H 39 7.759 7.471 0.288 1
1 575 . 9 1 1 A 47 47 GLY HA2 H 39 4.022 3.951 0.071 1
1 576 . 9 1 1 A 47 47 GLY HA3 H 39 4.542 3.969 0.573 1
1 577 . 9 1 1 A 47 47 GLY C C 39 173.037 175.148 -2.111 1
1 578 . 9 1 1 A 47 47 GLY CA C 39 44.261 46.385 -2.124 1
1 579 . 9 1 1 A 47 47 GLY N N 39 107.270 107.625 -0.355 1
1 580 . 9 1 1 A 48 48 SER H H 40 8.478 8.376 0.102 1
1 581 . 9 1 1 A 48 48 SER HA H 40 3.783 4.444 -0.661 1
1 584 . 9 1 1 A 48 48 SER C C 40 175.221 174.482 0.739 1
1 585 . 9 1 1 A 48 48 SER CA C 40 57.947 59.244 -1.297 1
1 586 . 9 1 1 A 48 48 SER CB C 40 63.811 63.924 -0.113 1
1 587 . 9 1 1 A 48 48 SER N N 40 116.121 116.142 -0.021 1
1 588 . 9 1 1 A 49 49 LYS H H 41 8.394 9.104 -0.710 1
1 589 . 9 1 1 A 49 49 LYS HA H 41 4.188 4.364 -0.176 1
1 598 . 9 1 1 A 49 49 LYS C C 41 176.470 176.915 -0.445 1
1 599 . 9 1 1 A 49 49 LYS CA C 41 55.331 57.130 -1.799 1
1 600 . 9 1 1 A 49 49 LYS CB C 41 32.293 32.589 -0.296 1
1 604 . 9 1 1 A 49 49 LYS N N 41 120.990 125.834 -4.844 1
1 605 . 9 1 1 A 50 50 GLY H H 42 6.747 7.787 -1.040 1
1 606 . 9 1 1 A 50 50 GLY HA2 H 42 3.531 3.395 0.136 1
1 607 . 9 1 1 A 50 50 GLY HA3 H 42 3.884 3.670 0.214 1
1 608 . 9 1 1 A 50 50 GLY C C 42 170.967 172.779 -1.812 1
1 609 . 9 1 1 A 50 50 GLY CA C 42 45.060 46.157 -1.097 1
1 610 . 9 1 1 A 50 50 GLY N N 42 106.048 108.015 -1.967 1
1 611 . 9 1 1 A 51 51 SER H H 43 8.158 8.211 -0.053 1
1 612 . 9 1 1 A 51 51 SER HA H 43 5.343 5.076 0.267 1
1 615 . 9 1 1 A 51 51 SER C C 43 172.787 172.819 -0.032 1
1 616 . 9 1 1 A 51 51 SER CA C 43 57.639 56.497 1.142 1
1 617 . 9 1 1 A 51 51 SER CB C 43 65.897 66.161 -0.264 1
1 618 . 9 1 1 A 51 51 SER N N 43 113.080 116.640 -3.560 1
1 619 . 9 1 1 A 52 52 ILE H H 44 9.306 9.417 -0.111 1
1 620 . 9 1 1 A 52 52 ILE HA H 44 4.203 4.647 -0.444 1
1 630 . 9 1 1 A 52 52 ILE C C 44 174.340 174.752 -0.412 1
1 631 . 9 1 1 A 52 52 ILE CA C 44 60.326 60.326 0.000 1
1 632 . 9 1 1 A 52 52 ILE CB C 44 42.302 39.754 2.548 1
1 636 . 9 1 1 A 52 52 ILE N N 44 123.385 121.930 1.455 1
1 637 . 9 1 1 A 53 53 LYS H H 45 8.495 8.674 -0.179 1
1 638 . 9 1 1 A 53 53 LYS HA H 45 4.444 4.617 -0.173 1
1 647 . 9 1 1 A 53 53 LYS C C 45 176.283 176.529 -0.246 1
1 648 . 9 1 1 A 53 53 LYS CA C 45 56.255 56.395 -0.140 1
1 649 . 9 1 1 A 53 53 LYS CB C 45 32.258 32.526 -0.268 1
1 653 . 9 1 1 A 53 53 LYS N N 45 127.498 128.919 -1.421 1
1 654 . 9 1 1 A 54 54 MET H H 46 8.190 8.325 -0.135 1
1 655 . 9 1 1 A 54 54 MET HA H 46 4.585 4.143 0.442 1
1 663 . 9 1 1 A 54 54 MET C C 46 178.779 178.025 0.754 1
1 664 . 9 1 1 A 54 54 MET CA C 46 55.549 58.707 -3.158 1
1 665 . 9 1 1 A 54 54 MET CB C 46 29.465 31.874 -2.409 1
1 668 . 9 1 1 A 54 54 MET N N 46 123.817 125.429 -1.612 1
1 669 . 9 1 1 A 55 55 ALA H H 47 8.860 7.797 1.063 1
1 670 . 9 1 1 A 55 55 ALA HA H 47 4.142 4.162 -0.020 1
1 674 . 9 1 1 A 55 55 ALA C C 47 178.752 177.784 0.968 1
1 675 . 9 1 1 A 55 55 ALA CA C 47 55.004 54.146 0.858 1
1 676 . 9 1 1 A 55 55 ALA CB C 47 19.312 18.412 0.900 1
1 677 . 9 1 1 A 55 55 ALA N N 47 119.194 120.920 -1.726 1
1 678 . 9 1 1 A 56 56 VAL H H 48 7.127 7.971 -0.844 1
1 679 . 9 1 1 A 56 56 VAL HA H 48 4.592 4.354 0.238 1
1 687 . 9 1 1 A 56 56 VAL C C 48 174.965 175.622 -0.657 1
1 688 . 9 1 1 A 56 56 VAL CA C 48 60.038 61.483 -1.445 1
1 689 . 9 1 1 A 56 56 VAL CB C 48 31.878 33.512 -1.634 1
1 692 . 9 1 1 A 56 56 VAL N N 48 105.989 116.851 -10.862 1
1 693 . 9 1 1 A 57 57 CYS H H 49 7.414 7.651 -0.237 1
1 694 . 9 1 1 A 57 57 CYS HA H 49 4.897 5.214 -0.317 1
1 697 . 9 1 1 A 57 57 CYS C C 49 173.836 173.051 0.785 1
1 698 . 9 1 1 A 57 57 CYS CA C 49 58.123 57.319 0.804 1
1 699 . 9 1 1 A 57 57 CYS CB C 49 30.078 30.797 -0.719 1
1 700 . 9 1 1 A 57 57 CYS N N 49 119.973 120.884 -0.911 1
1 701 . 9 1 1 A 58 58 GLU H H 50 8.852 8.696 0.156 1
1 702 . 9 1 1 A 58 58 GLU HA H 50 4.674 4.724 -0.050 1
1 707 . 9 1 1 A 58 58 GLU C C 50 175.085 175.163 -0.078 1
1 708 . 9 1 1 A 58 58 GLU CA C 50 54.809 56.302 -1.493 1
1 709 . 9 1 1 A 58 58 GLU CB C 50 31.856 30.958 0.898 1
1 711 . 9 1 1 A 58 58 GLU N N 50 124.719 125.543 -0.824 1
1 712 . 9 1 1 A 59 59 ILE H H 51 8.731 8.803 -0.072 1
1 713 . 9 1 1 A 59 59 ILE HA H 51 4.625 4.968 -0.343 1
1 723 . 9 1 1 A 59 59 ILE C C 51 175.513 174.280 1.233 1
1 724 . 9 1 1 A 59 59 ILE CA C 51 60.675 60.272 0.403 1
1 725 . 9 1 1 A 59 59 ILE CB C 51 39.717 39.947 -0.230 1
1 729 . 9 1 1 A 59 59 ILE N N 51 124.286 125.033 -0.747 1
1 730 . 9 1 1 A 60 60 LYS H H 52 9.212 9.352 -0.140 1
1 731 . 9 1 1 A 60 60 LYS HA H 52 4.829 4.688 0.141 1
1 740 . 9 1 1 A 60 60 LYS C C 52 175.594 175.267 0.327 1
1 741 . 9 1 1 A 60 60 LYS CA C 52 54.490 56.053 -1.563 1
1 742 . 9 1 1 A 60 60 LYS CB C 52 34.908 32.862 2.046 1
1 746 . 9 1 1 A 60 60 LYS N N 52 128.004 129.448 -1.444 1
1 747 . 9 1 1 A 61 61 VAL H H 53 8.776 8.621 0.155 1
1 748 . 9 1 1 A 61 61 VAL HA H 53 4.087 4.725 -0.638 1
1 756 . 9 1 1 A 61 61 VAL C C 53 175.262 174.835 0.427 1
1 757 . 9 1 1 A 61 61 VAL CA C 53 62.067 61.702 0.365 1
1 758 . 9 1 1 A 61 61 VAL CB C 53 33.296 34.083 -0.787 1
1 761 . 9 1 1 A 61 61 VAL N N 53 124.000 124.493 -0.493 1
1 762 . 9 1 1 A 62 62 HIS H H 54 7.677 9.165 -1.488 1
1 763 . 9 1 1 A 62 62 HIS HA H 54 4.456 4.744 -0.288 1
1 766 . 9 1 1 A 62 62 HIS C C 54 176.465 175.436 1.029 1
1 767 . 9 1 1 A 62 62 HIS CA C 54 57.986 56.971 1.015 1
1 768 . 9 1 1 A 62 62 HIS CB C 54 32.369 31.064 1.305 1
1 769 . 9 1 1 A 62 62 HIS N N 54 127.177 125.659 1.518 1
1 770 . 9 1 1 A 63 63 SER H H 55 8.552 8.386 0.166 1
1 771 . 9 1 1 A 63 63 SER HA H 55 4.251 4.718 -0.467 1
1 774 . 9 1 1 A 63 63 SER C C 55 174.509 173.367 1.142 1
1 775 . 9 1 1 A 63 63 SER CA C 55 60.312 57.726 2.586 1
1 776 . 9 1 1 A 63 63 SER CB C 55 63.609 63.438 0.171 1
1 777 . 9 1 1 A 63 63 SER N N 55 120.508 113.402 7.106 1
1 778 . 9 1 1 A 64 64 ALA H H 56 8.807 7.741 1.066 1
1 779 . 9 1 1 A 64 64 ALA HA H 56 4.553 4.452 0.101 1
1 783 . 9 1 1 A 64 64 ALA C C 56 176.763 176.809 -0.046 1
1 784 . 9 1 1 A 64 64 ALA CA C 56 53.183 50.824 2.359 1
1 785 . 9 1 1 A 64 64 ALA CB C 56 20.619 18.517 2.102 1
1 786 . 9 1 1 A 64 64 ALA N N 56 124.728 125.604 -0.876 1
1 787 . 9 1 1 A 65 65 ASP H H 57 8.762 8.852 -0.090 1
1 788 . 9 1 1 A 65 65 ASP HA H 57 4.689 4.883 -0.194 1
1 791 . 9 1 1 A 65 65 ASP C C 57 176.322 175.058 1.264 1
1 792 . 9 1 1 A 65 65 ASP CA C 57 52.911 53.859 -0.948 1
1 793 . 9 1 1 A 65 65 ASP CB C 57 41.216 41.438 -0.222 1
1 794 . 9 1 1 A 65 65 ASP N N 57 120.574 123.718 -3.144 1
1 795 . 9 1 1 A 66 66 ASN H H 58 8.457 8.062 0.395 1
1 796 . 9 1 1 A 66 66 ASN HA H 58 4.580 4.803 -0.223 1
1 801 . 9 1 1 A 66 66 ASN C C 58 174.296 174.808 -0.512 1
1 802 . 9 1 1 A 66 66 ASN CA C 58 54.146 52.357 1.789 1
1 803 . 9 1 1 A 66 66 ASN CB C 58 37.538 38.926 -1.388 1
1 804 . 9 1 1 A 66 66 ASN N N 58 122.233 118.695 3.538 1
1 806 . 9 1 1 A 67 67 THR H H 59 8.411 8.731 -0.320 1
1 807 . 9 1 1 A 67 67 THR HA H 59 4.284 4.202 0.082 1
1 812 . 9 1 1 A 67 67 THR C C 59 175.932 173.687 2.245 1
1 813 . 9 1 1 A 67 67 THR CA C 59 62.159 63.848 -1.689 1
1 814 . 9 1 1 A 67 67 THR CB C 59 70.025 66.994 3.031 1
1 816 . 9 1 1 A 67 67 THR N N 59 104.777 119.455 -14.678 1
1 817 . 9 1 1 A 68 68 ARG H H 60 7.589 8.394 -0.805 1
1 818 . 9 1 1 A 68 68 ARG HA H 60 5.044 4.414 0.630 1
1 825 . 9 1 1 A 68 68 ARG C C 60 176.482 175.199 1.283 1
1 826 . 9 1 1 A 68 68 ARG CA C 60 56.516 55.626 0.890 1
1 827 . 9 1 1 A 68 68 ARG CB C 60 34.348 30.669 3.679 1
1 830 . 9 1 1 A 68 68 ARG N N 60 122.336 121.256 1.080 1
1 831 . 9 1 1 A 69 69 MET H H 61 9.018 8.792 0.226 1
1 832 . 9 1 1 A 69 69 MET HA H 61 4.997 5.072 -0.075 1
1 840 . 9 1 1 A 69 69 MET C C 61 172.463 174.440 -1.977 1
1 841 . 9 1 1 A 69 69 MET CA C 61 55.330 53.984 1.346 1
1 842 . 9 1 1 A 69 69 MET CB C 61 37.234 37.452 -0.218 1
1 845 . 9 1 1 A 69 69 MET N N 61 119.640 120.955 -1.315 1
1 846 . 9 1 1 A 70 70 GLU H H 62 8.996 8.915 0.081 1
1 847 . 9 1 1 A 70 70 GLU HA H 62 5.365 5.051 0.314 1
1 852 . 9 1 1 A 70 70 GLU C C 62 173.523 174.861 -1.338 1
1 853 . 9 1 1 A 70 70 GLU CA C 62 54.326 54.858 -0.532 1
1 854 . 9 1 1 A 70 70 GLU CB C 62 33.915 33.484 0.431 1
1 856 . 9 1 1 A 70 70 GLU N N 62 122.200 122.970 -0.770 1
1 857 . 9 1 1 A 71 71 LEU H H 63 8.763 9.198 -0.435 1
1 858 . 9 1 1 A 71 71 LEU HA H 63 5.222 5.345 -0.123 1
1 868 . 9 1 1 A 71 71 LEU C C 63 175.719 174.983 0.736 1
1 869 . 9 1 1 A 71 71 LEU CA C 63 53.222 53.570 -0.348 1
1 870 . 9 1 1 A 71 71 LEU CB C 63 43.781 43.226 0.555 1
1 874 . 9 1 1 A 71 71 LEU N N 63 123.741 127.069 -3.328 1
1 875 . 9 1 1 A 72 72 ILE H H 64 9.006 9.254 -0.248 1
1 876 . 9 1 1 A 72 72 ILE HA H 64 4.316 5.096 -0.780 1
1 886 . 9 1 1 A 72 72 ILE C C 64 175.349 173.490 1.859 1
1 887 . 9 1 1 A 72 72 ILE CA C 64 60.921 60.289 0.632 1
1 888 . 9 1 1 A 72 72 ILE CB C 64 39.919 40.908 -0.989 1
1 892 . 9 1 1 A 72 72 ILE N N 64 123.633 126.611 -2.978 1
1 893 . 9 1 1 A 73 73 ILE H H 65 8.601 9.090 -0.489 1
1 894 . 9 1 1 A 73 73 ILE HA H 65 4.854 4.786 0.068 1
1 904 . 9 1 1 A 73 73 ILE CA C 65 58.440 57.601 0.839 1
1 905 . 9 1 1 A 73 73 ILE CB C 65 39.820 40.975 -1.155 1
1 909 . 9 1 1 A 73 73 ILE N N 65 128.410 129.680 -1.270 1
1 910 . 9 1 1 A 74 74 PRO HA H 66 4.265 4.473 -0.208 1
1 917 . 9 1 1 A 74 74 PRO C C 66 177.170 177.461 -0.291 1
1 918 . 9 1 1 A 74 74 PRO CA C 66 64.500 64.157 0.343 1
1 919 . 9 1 1 A 74 74 PRO CB C 66 31.826 31.510 0.316 1
1 922 . 9 1 1 A 75 75 GLY H H 67 8.704 8.594 0.110 1
1 923 . 9 1 1 A 75 75 GLY HA2 H 67 3.753 3.958 -0.205 1
1 924 . 9 1 1 A 75 75 GLY HA3 H 67 4.251 3.972 0.279 1
1 925 . 9 1 1 A 75 75 GLY C C 67 174.192 175.498 -1.306 1
1 926 . 9 1 1 A 75 75 GLY CA C 67 45.479 45.680 -0.201 1
1 927 . 9 1 1 A 75 75 GLY N N 67 111.825 112.589 -0.764 1
1 928 . 9 1 1 A 76 76 GLU H H 68 8.258 7.868 0.390 1
1 929 . 9 1 1 A 76 76 GLU HA H 68 4.483 4.332 0.151 1
1 934 . 9 1 1 A 76 76 GLU C C 68 175.838 177.235 -1.397 1
1 935 . 9 1 1 A 76 76 GLU CA C 68 56.178 59.062 -2.884 1
1 936 . 9 1 1 A 76 76 GLU CB C 68 31.066 30.161 0.905 1
1 938 . 9 1 1 A 76 76 GLU N N 68 118.446 119.389 -0.943 1
1 939 . 9 1 1 A 77 77 GLN H H 69 8.102 8.327 -0.225 1
1 940 . 9 1 1 A 77 77 GLN HA H 69 4.556 4.480 0.076 1
1 947 . 9 1 1 A 77 77 GLN C C 69 175.179 175.348 -0.169 1
1 948 . 9 1 1 A 77 77 GLN CA C 69 55.633 56.973 -1.340 1
1 949 . 9 1 1 A 77 77 GLN CB C 69 31.116 29.027 2.089 1
1 951 . 9 1 1 A 77 77 GLN N N 69 117.826 119.708 -1.882 1
1 953 . 9 1 1 A 78 78 HIS H H 70 8.857 8.945 -0.088 1
1 954 . 9 1 1 A 78 78 HIS HA H 70 4.923 4.148 0.775 1
1 957 . 9 1 1 A 78 78 HIS C C 70 173.113 173.687 -0.574 1
1 958 . 9 1 1 A 78 78 HIS CA C 70 54.623 56.752 -2.129 1
1 959 . 9 1 1 A 78 78 HIS CB C 70 30.231 28.624 1.607 1
1 960 . 9 1 1 A 78 78 HIS N N 70 120.752 118.777 1.975 1
1 961 . 9 1 1 A 79 79 PHE H H 71 9.120 7.786 1.334 1
1 962 . 9 1 1 A 79 79 PHE HA H 71 4.797 4.749 0.048 1
1 967 . 9 1 1 A 79 79 PHE C C 71 174.341 174.037 0.304 1
1 968 . 9 1 1 A 79 79 PHE CA C 71 56.191 56.471 -0.280 1
1 969 . 9 1 1 A 79 79 PHE CB C 71 40.983 39.525 1.458 1
1 970 . 9 1 1 A 79 79 PHE N N 71 124.577 118.920 5.657 1
1 971 . 9 1 1 A 80 80 TYR H H 72 8.883 8.955 -0.072 1
1 972 . 9 1 1 A 80 80 TYR HA H 72 5.142 5.281 -0.139 1
1 979 . 9 1 1 A 80 80 TYR C C 72 175.115 173.996 1.119 1
1 980 . 9 1 1 A 80 80 TYR CA C 72 57.353 56.644 0.709 1
1 981 . 9 1 1 A 80 80 TYR CB C 72 39.753 41.890 -2.137 1
1 986 . 9 1 1 A 80 80 TYR N N 72 124.010 125.445 -1.435 1
1 987 . 9 1 1 A 81 81 MET H H 73 8.824 8.636 0.188 1
1 988 . 9 1 1 A 81 81 MET HA H 73 5.983 5.028 0.955 1
1 996 . 9 1 1 A 81 81 MET C C 73 175.053 174.298 0.755 1
1 997 . 9 1 1 A 81 81 MET CA C 73 54.453 54.109 0.344 1
1 998 . 9 1 1 A 81 81 MET CB C 73 38.584 35.575 3.009 1
1 1001 . 9 1 1 A 81 81 MET N N 73 120.151 126.793 -6.642 1
1 1002 . 9 1 1 A 82 82 LYS H H 74 9.103 8.627 0.476 1
1 1003 . 9 1 1 A 82 82 LYS HA H 74 4.800 5.131 -0.331 1
1 1012 . 9 1 1 A 82 82 LYS C C 74 174.244 175.117 -0.873 1
1 1013 . 9 1 1 A 82 82 LYS CA C 74 55.314 55.267 0.047 1
1 1014 . 9 1 1 A 82 82 LYS CB C 74 36.251 35.913 0.338 1
1 1018 . 9 1 1 A 82 82 LYS N N 74 121.097 123.846 -2.749 1
1 1019 . 9 1 1 A 83 83 ALA H H 75 8.740 8.674 0.066 1
1 1020 . 9 1 1 A 83 83 ALA HA H 75 4.786 4.540 0.246 1
1 1024 . 9 1 1 A 83 83 ALA C C 75 177.126 178.480 -1.354 1
1 1025 . 9 1 1 A 83 83 ALA CA C 75 49.893 51.612 -1.719 1
1 1026 . 9 1 1 A 83 83 ALA CB C 75 21.311 20.019 1.292 1
1 1027 . 9 1 1 A 83 83 ALA N N 75 126.624 128.054 -1.430 1
1 1028 . 9 1 1 A 84 84 VAL H H 76 9.105 8.606 0.499 1
1 1029 . 9 1 1 A 84 84 VAL HA H 76 3.835 3.732 0.103 1
1 1037 . 9 1 1 A 84 84 VAL C C 76 175.635 176.000 -0.365 1
1 1038 . 9 1 1 A 84 84 VAL CA C 76 64.888 65.698 -0.810 1
1 1039 . 9 1 1 A 84 84 VAL CB C 76 32.097 31.940 0.157 1
1 1042 . 9 1 1 A 84 84 VAL N N 76 115.195 119.298 -4.103 1
1 1043 . 9 1 1 A 85 85 ASN H H 77 7.278 7.929 -0.651 1
1 1044 . 9 1 1 A 85 85 ASN HA H 77 4.476 4.973 -0.497 1
1 1049 . 9 1 1 A 85 85 ASN C C 77 174.796 175.501 -0.705 1
1 1050 . 9 1 1 A 85 85 ASN CA C 77 52.193 51.514 0.679 1
1 1051 . 9 1 1 A 85 85 ASN CB C 77 39.702 40.365 -0.663 1
1 1052 . 9 1 1 A 85 85 ASN N N 77 109.430 115.394 -5.964 1
1 1054 . 9 1 1 A 86 86 ALA H H 78 8.681 8.704 -0.023 1
1 1055 . 9 1 1 A 86 86 ALA HA H 78 4.195 4.015 0.180 1
1 1059 . 9 1 1 A 86 86 ALA C C 78 180.157 180.146 0.011 1
1 1060 . 9 1 1 A 86 86 ALA CA C 78 54.919 55.424 -0.505 1
1 1061 . 9 1 1 A 86 86 ALA CB C 78 18.721 18.125 0.596 1
1 1062 . 9 1 1 A 86 86 ALA N N 78 121.886 121.367 0.519 1
1 1063 . 9 1 1 A 87 87 ALA H H 79 8.386 8.162 0.224 1
1 1064 . 9 1 1 A 87 87 ALA HA H 79 4.200 4.010 0.190 1
1 1068 . 9 1 1 A 87 87 ALA C C 79 181.167 180.108 1.059 1
1 1069 . 9 1 1 A 87 87 ALA CA C 79 55.195 55.227 -0.032 1
1 1070 . 9 1 1 A 87 87 ALA CB C 79 17.663 18.283 -0.620 1
1 1071 . 9 1 1 A 87 87 ALA N N 79 123.939 120.475 3.464 1
1 1072 . 9 1 1 A 88 88 GLU H H 80 8.743 8.565 0.178 1
1 1073 . 9 1 1 A 88 88 GLU HA H 80 4.260 4.057 0.203 1
1 1078 . 9 1 1 A 88 88 GLU C C 80 178.848 179.352 -0.504 1
1 1079 . 9 1 1 A 88 88 GLU CA C 80 59.191 59.509 -0.318 1
1 1080 . 9 1 1 A 88 88 GLU CB C 80 29.898 29.082 0.816 1
1 1082 . 9 1 1 A 88 88 GLU N N 80 119.694 117.924 1.770 1
1 1083 . 9 1 1 A 89 89 ARG H H 81 7.936 8.195 -0.259 1
1 1084 . 9 1 1 A 89 89 ARG HA H 81 3.780 4.050 -0.270 1
1 1087 . 9 1 1 A 89 89 ARG C C 81 177.596 178.755 -1.159 1
1 1088 . 9 1 1 A 89 89 ARG CA C 81 61.042 59.308 1.734 1
1 1089 . 9 1 1 A 89 89 ARG CB C 81 29.630 29.873 -0.243 1
1 1090 . 9 1 1 A 89 89 ARG N N 81 119.080 120.987 -1.907 1
1 1091 . 9 1 1 A 90 90 GLN H H 82 8.063 7.857 0.206 1
1 1092 . 9 1 1 A 90 90 GLN HA H 82 4.039 4.043 -0.004 1
1 1099 . 9 1 1 A 90 90 GLN C C 82 177.419 178.305 -0.886 1
1 1100 . 9 1 1 A 90 90 GLN CA C 82 59.069 59.025 0.044 1
1 1101 . 9 1 1 A 90 90 GLN CB C 82 27.786 28.307 -0.521 1
1 1103 . 9 1 1 A 90 90 GLN N N 82 118.390 118.425 -0.035 1
1 1105 . 9 1 1 A 91 91 ARG H H 83 7.700 7.471 0.229 1
1 1106 . 9 1 1 A 91 91 ARG HA H 83 3.961 3.958 0.003 1
1 1114 . 9 1 1 A 91 91 ARG C C 83 180.016 179.107 0.909 1
1 1115 . 9 1 1 A 91 91 ARG CA C 83 59.750 59.549 0.201 1
1 1116 . 9 1 1 A 91 91 ARG CB C 83 30.401 29.633 0.768 1
1 1119 . 9 1 1 A 91 91 ARG N N 83 117.912 118.620 -0.708 1
1 1121 . 9 1 1 A 92 92 TRP H H 84 7.895 7.734 0.161 1
1 1122 . 9 1 1 A 92 92 TRP HA H 84 4.115 4.482 -0.367 1
1 1130 . 9 1 1 A 92 92 TRP C C 84 178.111 179.174 -1.063 1
1 1131 . 9 1 1 A 92 92 TRP CA C 84 61.633 59.833 1.800 1
1 1132 . 9 1 1 A 92 92 TRP CB C 84 29.032 29.489 -0.457 1
1 1137 . 9 1 1 A 92 92 TRP N N 84 119.237 121.024 -1.787 1
1 1139 . 9 1 1 A 93 93 LEU H H 85 8.988 8.713 0.275 1
1 1140 . 9 1 1 A 93 93 LEU HA H 85 3.978 3.999 -0.021 1
1 1150 . 9 1 1 A 93 93 LEU C C 85 180.925 179.742 1.183 1
1 1151 . 9 1 1 A 93 93 LEU CA C 85 58.716 57.750 0.966 1
1 1152 . 9 1 1 A 93 93 LEU CB C 85 41.506 41.201 0.305 1
1 1156 . 9 1 1 A 93 93 LEU N N 85 119.853 120.181 -0.328 1
1 1157 . 9 1 1 A 94 94 VAL H H 86 8.233 8.303 -0.070 1
1 1158 . 9 1 1 A 94 94 VAL HA H 86 3.695 3.508 0.187 1
1 1166 . 9 1 1 A 94 94 VAL C C 86 178.733 177.745 0.988 1
1 1167 . 9 1 1 A 94 94 VAL CA C 86 66.250 66.588 -0.338 1
1 1168 . 9 1 1 A 94 94 VAL CB C 86 31.886 31.495 0.391 1
1 1171 . 9 1 1 A 94 94 VAL N N 86 120.164 120.030 0.134 1
1 1172 . 9 1 1 A 95 95 ALA H H 87 7.345 7.722 -0.377 1
1 1173 . 9 1 1 A 95 95 ALA HA H 87 4.113 4.025 0.088 1
1 1177 . 9 1 1 A 95 95 ALA C C 87 180.055 180.348 -0.293 1
1 1178 . 9 1 1 A 95 95 ALA CA C 87 55.410 55.365 0.045 1
1 1179 . 9 1 1 A 95 95 ALA CB C 87 18.816 18.397 0.419 1
1 1180 . 9 1 1 A 95 95 ALA N N 87 123.818 121.572 2.246 1
1 1181 . 9 1 1 A 96 96 LEU H H 88 9.342 8.809 0.533 1
1 1182 . 9 1 1 A 96 96 LEU HA H 88 4.003 3.956 0.047 1
1 1192 . 9 1 1 A 96 96 LEU C C 88 179.349 179.552 -0.203 1
1 1193 . 9 1 1 A 96 96 LEU CA C 88 57.786 58.118 -0.332 1
1 1194 . 9 1 1 A 96 96 LEU CB C 88 41.848 41.832 0.016 1
1 1198 . 9 1 1 A 96 96 LEU N N 88 117.857 118.425 -0.568 1
1 1199 . 9 1 1 A 97 97 GLY H H 89 8.252 8.400 -0.148 1
1 1200 . 9 1 1 A 97 97 GLY HA2 H 89 3.819 3.761 0.058 1
1 1201 . 9 1 1 A 97 97 GLY HA3 H 89 3.948 3.764 0.184 1
1 1202 . 9 1 1 A 97 97 GLY C C 89 176.463 176.395 0.068 1
1 1203 . 9 1 1 A 97 97 GLY CA C 89 46.620 47.294 -0.674 1
1 1204 . 9 1 1 A 97 97 GLY N N 89 105.618 106.346 -0.728 1
1 1205 . 9 1 1 A 98 98 SER H H 90 8.068 7.742 0.326 1
1 1206 . 9 1 1 A 98 98 SER HA H 90 4.377 4.144 0.233 1
1 1209 . 9 1 1 A 98 98 SER C C 90 176.144 177.234 -1.090 1
1 1210 . 9 1 1 A 98 98 SER CA C 90 60.842 61.542 -0.700 1
1 1211 . 9 1 1 A 98 98 SER CB C 90 63.116 62.436 0.680 1
1 1212 . 9 1 1 A 98 98 SER N N 90 117.602 116.691 0.911 1
1 1213 . 9 1 1 A 99 99 SER H H 91 8.036 8.173 -0.137 1
1 1214 . 9 1 1 A 99 99 SER HA H 91 4.324 4.240 0.084 1
1 1217 . 9 1 1 A 99 99 SER C C 91 175.818 175.683 0.135 1
1 1218 . 9 1 1 A 99 99 SER CA C 91 60.720 61.627 -0.907 1
1 1219 . 9 1 1 A 99 99 SER CB C 91 63.831 62.988 0.843 1
1 1220 . 9 1 1 A 99 99 SER N N 91 116.877 117.370 -0.493 1
1 1221 . 9 1 1 A 100 100 LYS H H 92 7.838 7.952 -0.114 1
1 1222 . 9 1 1 A 100 100 LYS HA H 92 4.068 4.050 0.018 1
1 1231 . 9 1 1 A 100 100 LYS C C 92 177.235 177.660 -0.425 1
1 1232 . 9 1 1 A 100 100 LYS CA C 92 58.121 58.599 -0.478 1
1 1233 . 9 1 1 A 100 100 LYS CB C 92 32.263 31.919 0.344 1
1 1237 . 9 1 1 A 100 100 LYS N N 92 119.456 121.929 -2.473 1
1 1238 . 9 1 1 A 101 101 ALA H H 93 7.924 7.617 0.307 1
1 1239 . 9 1 1 A 101 101 ALA HA H 93 4.321 4.337 -0.016 1
1 1243 . 9 1 1 A 101 101 ALA C C 93 178.323 178.016 0.307 1
1 1244 . 9 1 1 A 101 101 ALA CA C 93 53.435 52.433 1.002 1
1 1245 . 9 1 1 A 101 101 ALA CB C 93 18.969 18.326 0.643 1
1 1246 . 9 1 1 A 101 101 ALA N N 93 122.054 120.481 1.573 1
1 1247 . 9 1 1 A 102 102 SER H H 94 8.061 8.459 -0.398 1
1 1248 . 9 1 1 A 102 102 SER HA H 94 4.451 4.047 0.404 1
1 1251 . 9 1 1 A 102 102 SER C C 94 174.773 173.893 0.880 1
1 1252 . 9 1 1 A 102 102 SER CA C 94 59.086 59.148 -0.062 1
1 1253 . 9 1 1 A 102 102 SER CB C 94 63.766 61.849 1.917 1
1 1254 . 9 1 1 A 102 102 SER N N 94 114.102 118.277 -4.175 1
1 1255 . 9 1 1 A 103 103 LEU H H 95 8.053 7.434 0.619 1
1 1256 . 9 1 1 A 103 103 LEU HA H 95 4.507 4.657 -0.150 1
1 1266 . 9 1 1 A 103 103 LEU C C 95 177.589 176.134 1.455 1
1 1267 . 9 1 1 A 103 103 LEU CA C 95 55.398 53.453 1.945 1
1 1268 . 9 1 1 A 103 103 LEU CB C 95 42.435 43.973 -1.538 1
1 1272 . 9 1 1 A 103 103 LEU N N 95 123.264 122.317 0.947 1
1 1273 . 9 1 1 A 104 104 THR H H 96 8.045 8.535 -0.490 1
1 1274 . 9 1 1 A 104 104 THR HA H 96 4.383 4.410 -0.027 1
1 1279 . 9 1 1 A 104 104 THR C C 96 174.128 173.013 1.115 1
1 1280 . 9 1 1 A 104 104 THR CA C 96 61.982 62.382 -0.400 1
1 1281 . 9 1 1 A 104 104 THR CB C 96 69.938 67.121 2.817 1
1 1283 . 9 1 1 A 104 104 THR N N 96 113.833 120.688 -6.855 1
1 1284 . 9 1 1 A 105 105 ASP H H 97 8.346 8.634 -0.288 1
1 1285 . 9 1 1 A 105 105 ASP HA H 97 4.740 4.706 0.034 1
1 1288 . 9 1 1 A 105 105 ASP C C 97 176.310 176.221 0.089 1
1 1289 . 9 1 1 A 105 105 ASP CA C 97 54.300 53.285 1.015 1
1 1290 . 9 1 1 A 105 105 ASP CB C 97 41.174 41.637 -0.463 1
1 1291 . 9 1 1 A 105 105 ASP N N 97 123.107 123.971 -0.864 1
1 1292 . 9 1 1 A 106 106 THR H H 98 8.147 8.863 -0.716 1
1 1293 . 9 1 1 A 106 106 THR HA H 98 4.355 4.068 0.287 1
1 1298 . 9 1 1 A 106 106 THR C C 98 174.523 174.389 0.134 1
1 1299 . 9 1 1 A 106 106 THR CA C 98 61.937 63.001 -1.064 1
1 1300 . 9 1 1 A 106 106 THR CB C 98 69.656 66.583 3.073 1
1 1302 . 9 1 1 A 106 106 THR N N 98 114.857 115.703 -0.846 1
1 1303 . 9 1 1 A 107 107 ARG H H 99 8.385 7.764 0.621 1
1 1304 . 9 1 1 A 107 107 ARG HA H 99 4.442 4.330 0.112 1
1 1312 . 9 1 1 A 107 107 ARG C C 99 175.764 176.056 -0.292 1
1 1313 . 9 1 1 A 107 107 ARG CA C 99 56.311 56.235 0.076 1
1 1314 . 9 1 1 A 107 107 ARG CB C 99 30.745 31.039 -0.294 1
1 1317 . 9 1 1 A 107 107 ARG N N 99 123.999 120.797 3.202 1
1 1 . 10 1 1 A 2 2 PRO HA H -6 4.460 4.499 -0.039 1
1 8 . 10 1 1 A 2 2 PRO C C -6 176.875 175.927 0.948 1
1 9 . 10 1 1 A 2 2 PRO CA C -6 63.159 63.098 0.061 1
1 10 . 10 1 1 A 2 2 PRO CB C -6 32.292 32.039 0.253 1
1 13 . 10 1 1 A 3 3 LEU H H -5 8.483 8.551 -0.068 1
1 14 . 10 1 1 A 3 3 LEU HA H -5 4.334 4.470 -0.136 1
1 24 . 10 1 1 A 3 3 LEU C C -5 177.797 177.307 0.490 1
1 25 . 10 1 1 A 3 3 LEU CA C -5 55.474 54.422 1.052 1
1 26 . 10 1 1 A 3 3 LEU CB C -5 42.239 43.150 -0.911 1
1 30 . 10 1 1 A 3 3 LEU N N -5 122.315 123.823 -1.508 1
1 31 . 10 1 1 A 4 4 GLY H H -4 8.393 8.849 -0.456 1
1 32 . 10 1 1 A 4 4 GLY HA2 H -4 3.978 3.903 0.075 1
1 33 . 10 1 1 A 4 4 GLY HA3 H -4 3.978 3.903 0.075 1
1 34 . 10 1 1 A 4 4 GLY C C -4 173.730 173.902 -0.172 1
1 35 . 10 1 1 A 4 4 GLY CA C -4 45.158 47.109 -1.951 1
1 36 . 10 1 1 A 4 4 GLY N N -4 109.911 116.431 -6.520 1
1 37 . 10 1 1 A 5 5 SER H H -3 8.162 8.280 -0.118 1
1 38 . 10 1 1 A 5 5 SER HA H -3 4.764 4.801 -0.037 1
1 41 . 10 1 1 A 5 5 SER CA C -3 56.323 59.293 -2.970 1
1 42 . 10 1 1 A 5 5 SER CB C -3 63.515 65.556 -2.041 1
1 43 . 10 1 1 A 5 5 SER N N -3 116.873 117.907 -1.034 1
1 44 . 10 1 1 A 6 6 PRO HA H -2 4.399 4.374 0.025 1
1 47 . 10 1 1 A 6 6 PRO C C -2 176.587 175.682 0.905 1
1 48 . 10 1 1 A 6 6 PRO CA C -2 63.552 63.615 -0.063 1
1 49 . 10 1 1 A 6 6 PRO CB C -2 31.997 31.819 0.178 1
1 50 . 10 1 1 A 7 7 GLU H H -1 8.364 8.789 -0.425 1
1 51 . 10 1 1 A 7 7 GLU HA H -1 4.285 4.691 -0.406 1
1 56 . 10 1 1 A 7 7 GLU C C -1 174.954 174.880 0.074 1
1 57 . 10 1 1 A 7 7 GLU CA C -1 56.486 55.039 1.447 1
1 58 . 10 1 1 A 7 7 GLU CB C -1 29.924 30.098 -0.174 1
1 60 . 10 1 1 A 7 7 GLU N N -1 119.665 123.810 -4.145 1
1 61 . 10 1 1 A 8 8 PHE H H 0 7.872 9.036 -1.164 1
1 62 . 10 1 1 A 8 8 PHE HA H 0 5.204 5.829 -0.625 1
1 67 . 10 1 1 A 8 8 PHE C C 0 174.670 173.662 1.008 1
1 68 . 10 1 1 A 8 8 PHE CA C 0 56.861 56.263 0.598 1
1 69 . 10 1 1 A 8 8 PHE CB C 0 41.874 42.401 -0.527 1
1 72 . 10 1 1 A 8 8 PHE N N 0 122.497 126.295 -3.798 1
1 73 . 10 1 1 A 9 9 MET H H 1 7.833 8.615 -0.782 1
1 74 . 10 1 1 A 9 9 MET HA H 1 4.095 4.686 -0.591 1
1 82 . 10 1 1 A 9 9 MET C C 1 171.191 173.788 -2.597 1
1 83 . 10 1 1 A 9 9 MET CA C 1 54.613 53.853 0.760 1
1 84 . 10 1 1 A 9 9 MET CB C 1 34.867 35.262 -0.395 1
1 87 . 10 1 1 A 9 9 MET N N 1 127.163 126.943 0.220 1
1 88 . 10 1 1 A 10 10 GLU H H 2 7.698 8.589 -0.891 1
1 89 . 10 1 1 A 10 10 GLU HA H 2 5.603 5.117 0.486 1
1 94 . 10 1 1 A 10 10 GLU C C 2 174.743 174.260 0.483 1
1 95 . 10 1 1 A 10 10 GLU CA C 2 53.345 54.174 -0.829 1
1 96 . 10 1 1 A 10 10 GLU CB C 2 32.408 33.707 -1.299 1
1 98 . 10 1 1 A 10 10 GLU N N 2 118.654 121.723 -3.069 1
1 99 . 10 1 1 A 11 11 GLY H H 3 7.994 7.151 0.843 1
1 100 . 10 1 1 A 11 11 GLY HA2 H 3 3.115 3.353 -0.238 1
1 101 . 10 1 1 A 11 11 GLY HA3 H 3 4.377 4.037 0.340 1
1 102 . 10 1 1 A 11 11 GLY C C 3 170.878 171.737 -0.859 1
1 103 . 10 1 1 A 11 11 GLY CA C 3 45.086 43.926 1.160 1
1 104 . 10 1 1 A 11 11 GLY N N 3 108.296 106.384 1.912 1
1 105 . 10 1 1 A 12 12 VAL H H 4 8.463 8.336 0.127 1
1 106 . 10 1 1 A 12 12 VAL HA H 4 4.969 5.492 -0.523 1
1 114 . 10 1 1 A 12 12 VAL C C 4 177.805 174.249 3.556 1
1 115 . 10 1 1 A 12 12 VAL CA C 4 62.373 59.194 3.179 1
1 116 . 10 1 1 A 12 12 VAL CB C 4 33.152 34.801 -1.649 1
1 119 . 10 1 1 A 12 12 VAL N N 4 119.624 115.523 4.101 1
1 120 . 10 1 1 A 13 13 LEU H H 5 8.647 9.061 -0.414 1
1 121 . 10 1 1 A 13 13 LEU HA H 5 4.382 4.911 -0.529 1
1 131 . 10 1 1 A 13 13 LEU C C 5 175.407 175.544 -0.137 1
1 132 . 10 1 1 A 13 13 LEU CA C 5 54.139 53.568 0.571 1
1 133 . 10 1 1 A 13 13 LEU CB C 5 46.374 45.282 1.092 1
1 137 . 10 1 1 A 13 13 LEU N N 5 125.806 123.186 2.620 1
1 138 . 10 1 1 A 14 14 TYR H H 6 9.007 9.216 -0.209 1
1 139 . 10 1 1 A 14 14 TYR HA H 6 5.026 5.149 -0.123 1
1 144 . 10 1 1 A 14 14 TYR C C 6 175.047 174.685 0.362 1
1 145 . 10 1 1 A 14 14 TYR CA C 6 57.484 58.478 -0.994 1
1 146 . 10 1 1 A 14 14 TYR CB C 6 39.400 38.818 0.582 1
1 147 . 10 1 1 A 14 14 TYR N N 6 118.975 125.076 -6.101 1
1 148 . 10 1 1 A 15 15 LYS H H 7 9.549 8.925 0.624 1
1 149 . 10 1 1 A 15 15 LYS HA H 7 5.467 4.794 0.673 1
1 158 . 10 1 1 A 15 15 LYS C C 7 175.772 175.032 0.740 1
1 159 . 10 1 1 A 15 15 LYS CA C 7 54.136 54.532 -0.396 1
1 160 . 10 1 1 A 15 15 LYS CB C 7 37.043 35.424 1.619 1
1 164 . 10 1 1 A 15 15 LYS N N 7 123.867 128.072 -4.205 1
1 165 . 10 1 1 A 16 16 TRP H H 8 8.355 8.796 -0.441 1
1 166 . 10 1 1 A 16 16 TRP HA H 8 3.893 4.861 -0.968 1
1 175 . 10 1 1 A 16 16 TRP C C 8 176.038 176.140 -0.102 1
1 176 . 10 1 1 A 16 16 TRP CA C 8 57.880 56.557 1.323 1
1 177 . 10 1 1 A 16 16 TRP CB C 8 29.347 30.426 -1.079 1
1 183 . 10 1 1 A 16 16 TRP N N 8 129.111 129.116 -0.005 1
1 185 . 10 1 1 A 17 17 THR H H 9 6.754 8.465 -1.711 1
1 186 . 10 1 1 A 17 17 THR HA H 9 4.127 4.280 -0.153 1
1 191 . 10 1 1 A 17 17 THR C C 9 172.153 173.704 -1.551 1
1 192 . 10 1 1 A 17 17 THR CA C 9 61.413 61.813 -0.400 1
1 193 . 10 1 1 A 17 17 THR CB C 9 69.317 69.128 0.189 1
1 195 . 10 1 1 A 17 17 THR N N 9 121.030 118.743 2.287 1
1 196 . 10 1 1 A 18 18 ASN H H 10 7.418 7.144 0.274 1
1 197 . 10 1 1 A 18 18 ASN HA H 10 4.051 4.945 -0.894 1
1 202 . 10 1 1 A 18 18 ASN C C 10 174.308 175.348 -1.040 1
1 203 . 10 1 1 A 18 18 ASN CA C 10 52.089 51.435 0.654 1
1 204 . 10 1 1 A 18 18 ASN CB C 10 39.339 40.811 -1.472 1
1 205 . 10 1 1 A 18 18 ASN N N 10 115.655 117.036 -1.381 1
1 207 . 10 1 1 A 19 19 TYR H H 11 8.348 8.585 -0.237 1
1 208 . 10 1 1 A 19 19 TYR HA H 11 4.284 4.395 -0.111 1
1 215 . 10 1 1 A 19 19 TYR C C 11 175.974 177.278 -1.304 1
1 216 . 10 1 1 A 19 19 TYR CA C 11 60.774 60.227 0.547 1
1 217 . 10 1 1 A 19 19 TYR CB C 11 37.815 38.051 -0.236 1
1 222 . 10 1 1 A 19 19 TYR N N 11 115.508 121.070 -5.562 1
1 223 . 10 1 1 A 20 20 LEU H H 12 7.827 7.770 0.057 1
1 224 . 10 1 1 A 20 20 LEU HA H 12 4.091 4.073 0.018 1
1 234 . 10 1 1 A 20 20 LEU C C 12 178.711 179.448 -0.737 1
1 235 . 10 1 1 A 20 20 LEU CA C 12 56.966 57.758 -0.792 1
1 236 . 10 1 1 A 20 20 LEU CB C 12 41.922 41.745 0.177 1
1 240 . 10 1 1 A 20 20 LEU N N 12 120.867 122.245 -1.378 1
1 241 . 10 1 1 A 21 21 THR H H 13 7.651 7.634 0.017 1
1 242 . 10 1 1 A 21 21 THR HA H 13 4.162 4.241 -0.079 1
1 247 . 10 1 1 A 21 21 THR C C 13 175.842 174.212 1.630 1
1 248 . 10 1 1 A 21 21 THR CA C 13 62.159 62.654 -0.495 1
1 249 . 10 1 1 A 21 21 THR CB C 13 69.191 70.116 -0.925 1
1 251 . 10 1 1 A 21 21 THR N N 13 108.304 107.589 0.715 1
1 252 . 10 1 1 A 22 22 GLY H H 14 7.679 8.012 -0.333 1
1 253 . 10 1 1 A 22 22 GLY HA2 H 14 2.802 3.875 -1.073 1
1 254 . 10 1 1 A 22 22 GLY HA3 H 14 3.715 4.041 -0.326 1
1 255 . 10 1 1 A 22 22 GLY C C 14 175.108 173.305 1.803 1
1 256 . 10 1 1 A 22 22 GLY CA C 14 46.131 44.691 1.440 1
1 257 . 10 1 1 A 22 22 GLY N N 14 109.901 109.225 0.676 1
1 258 . 10 1 1 A 23 23 TRP H H 15 8.817 8.293 0.524 1
1 259 . 10 1 1 A 23 23 TRP HA H 15 4.724 5.664 -0.940 1
1 268 . 10 1 1 A 23 23 TRP C C 15 176.569 175.545 1.024 1
1 269 . 10 1 1 A 23 23 TRP CA C 15 56.897 55.053 1.844 1
1 270 . 10 1 1 A 23 23 TRP CB C 15 29.825 32.547 -2.722 1
1 275 . 10 1 1 A 23 23 TRP N N 15 126.927 121.789 5.138 1
1 277 . 10 1 1 A 24 24 GLN H H 16 8.931 8.578 0.353 1
1 278 . 10 1 1 A 24 24 GLN HA H 16 5.186 4.350 0.836 1
1 285 . 10 1 1 A 24 24 GLN CA C 16 52.369 51.711 0.658 1
1 286 . 10 1 1 A 24 24 GLN CB C 16 31.536 30.098 1.438 1
1 288 . 10 1 1 A 24 24 GLN N N 16 122.710 120.966 1.744 1
1 290 . 10 1 1 A 25 25 PRO HA H 17 4.206 5.191 -0.985 1
1 297 . 10 1 1 A 25 25 PRO C C 17 176.918 176.223 0.695 1
1 298 . 10 1 1 A 25 25 PRO CA C 17 62.894 62.541 0.353 1
1 299 . 10 1 1 A 25 25 PRO CB C 17 31.444 31.783 -0.339 1
1 302 . 10 1 1 A 26 26 ARG H H 18 9.041 8.579 0.462 1
1 303 . 10 1 1 A 26 26 ARG HA H 18 4.857 4.868 -0.011 1
1 310 . 10 1 1 A 26 26 ARG C C 18 173.102 174.515 -1.413 1
1 311 . 10 1 1 A 26 26 ARG CA C 18 53.273 54.324 -1.051 1
1 312 . 10 1 1 A 26 26 ARG CB C 18 34.254 34.351 -0.097 1
1 315 . 10 1 1 A 26 26 ARG N N 18 123.602 123.017 0.585 1
1 316 . 10 1 1 A 27 27 TRP H H 19 8.375 8.362 0.013 1
1 317 . 10 1 1 A 27 27 TRP HA H 19 5.077 5.386 -0.309 1
1 326 . 10 1 1 A 27 27 TRP C C 19 174.728 174.791 -0.063 1
1 327 . 10 1 1 A 27 27 TRP CA C 19 56.157 56.349 -0.192 1
1 328 . 10 1 1 A 27 27 TRP CB C 19 31.116 31.220 -0.104 1
1 334 . 10 1 1 A 27 27 TRP N N 19 121.669 124.925 -3.256 1
1 336 . 10 1 1 A 28 28 PHE H H 20 9.016 9.514 -0.498 1
1 337 . 10 1 1 A 28 28 PHE HA H 20 5.385 5.515 -0.130 1
1 345 . 10 1 1 A 28 28 PHE C C 20 174.685 174.694 -0.009 1
1 346 . 10 1 1 A 28 28 PHE CA C 20 56.699 56.949 -0.250 1
1 347 . 10 1 1 A 28 28 PHE CB C 20 43.155 42.229 0.926 1
1 353 . 10 1 1 A 28 28 PHE N N 20 128.520 126.575 1.945 1
1 354 . 10 1 1 A 29 29 VAL H H 21 9.058 9.510 -0.452 1
1 355 . 10 1 1 A 29 29 VAL HA H 21 4.681 5.342 -0.661 1
1 363 . 10 1 1 A 29 29 VAL C C 21 174.804 173.980 0.824 1
1 364 . 10 1 1 A 29 29 VAL CA C 21 61.719 59.840 1.879 1
1 365 . 10 1 1 A 29 29 VAL CB C 21 36.416 35.961 0.455 1
1 368 . 10 1 1 A 29 29 VAL N N 21 117.562 116.328 1.234 1
1 369 . 10 1 1 A 30 30 LEU H H 22 9.543 9.287 0.256 1
1 370 . 10 1 1 A 30 30 LEU HA H 22 5.311 5.249 0.062 1
1 380 . 10 1 1 A 30 30 LEU C C 22 173.506 175.091 -1.585 1
1 381 . 10 1 1 A 30 30 LEU CA C 22 53.213 53.984 -0.771 1
1 382 . 10 1 1 A 30 30 LEU CB C 22 44.939 44.082 0.857 1
1 386 . 10 1 1 A 30 30 LEU N N 22 131.939 127.445 4.494 1
1 387 . 10 1 1 A 31 31 ASP H H 23 8.513 9.428 -0.915 1
1 388 . 10 1 1 A 31 31 ASP HA H 23 5.151 5.304 -0.153 1
1 391 . 10 1 1 A 31 31 ASP C C 23 176.940 175.222 1.718 1
1 392 . 10 1 1 A 31 31 ASP CA C 23 53.671 53.544 0.127 1
1 393 . 10 1 1 A 31 31 ASP CB C 23 43.770 43.055 0.715 1
1 394 . 10 1 1 A 31 31 ASP N N 23 121.978 125.648 -3.670 1
1 395 . 10 1 1 A 32 32 ASN H H 24 9.280 9.363 -0.083 1
1 396 . 10 1 1 A 32 32 ASN HA H 24 4.421 4.623 -0.202 1
1 401 . 10 1 1 A 32 32 ASN C C 24 175.044 175.557 -0.513 1
1 402 . 10 1 1 A 32 32 ASN CA C 24 54.362 54.549 -0.187 1
1 403 . 10 1 1 A 32 32 ASN CB C 24 37.804 37.259 0.545 1
1 404 . 10 1 1 A 32 32 ASN N N 24 125.653 126.014 -0.361 1
1 406 . 10 1 1 A 33 33 GLY H H 25 8.997 8.354 0.643 1
1 407 . 10 1 1 A 33 33 GLY HA2 H 25 3.581 3.857 -0.276 1
1 408 . 10 1 1 A 33 33 GLY HA3 H 25 4.154 3.858 0.296 1
1 409 . 10 1 1 A 33 33 GLY C C 25 173.215 173.645 -0.430 1
1 410 . 10 1 1 A 33 33 GLY CA C 25 45.930 45.588 0.342 1
1 411 . 10 1 1 A 33 33 GLY N N 25 102.623 103.190 -0.567 1
1 412 . 10 1 1 A 34 34 ILE H H 26 7.955 7.771 0.184 1
1 413 . 10 1 1 A 34 34 ILE HA H 26 4.771 4.441 0.330 1
1 423 . 10 1 1 A 34 34 ILE C C 26 174.753 173.847 0.906 1
1 424 . 10 1 1 A 34 34 ILE CA C 26 59.201 60.316 -1.115 1
1 425 . 10 1 1 A 34 34 ILE CB C 26 39.393 40.663 -1.270 1
1 429 . 10 1 1 A 34 34 ILE N N 26 122.350 122.989 -0.639 1
1 430 . 10 1 1 A 35 35 LEU H H 27 9.274 9.509 -0.235 1
1 431 . 10 1 1 A 35 35 LEU HA H 27 5.441 5.383 0.058 1
1 441 . 10 1 1 A 35 35 LEU C C 27 175.131 174.974 0.157 1
1 442 . 10 1 1 A 35 35 LEU CA C 27 53.160 53.585 -0.425 1
1 443 . 10 1 1 A 35 35 LEU CB C 27 44.532 44.629 -0.097 1
1 447 . 10 1 1 A 35 35 LEU N N 27 132.013 131.077 0.936 1
1 448 . 10 1 1 A 36 36 SER H H 28 9.668 9.478 0.190 1
1 449 . 10 1 1 A 36 36 SER HA H 28 5.379 5.194 0.185 1
1 452 . 10 1 1 A 36 36 SER C C 28 171.968 173.169 -1.201 1
1 453 . 10 1 1 A 36 36 SER CA C 28 57.345 57.230 0.115 1
1 454 . 10 1 1 A 36 36 SER CB C 28 66.044 65.506 0.538 1
1 455 . 10 1 1 A 36 36 SER N N 28 123.682 124.893 -1.211 1
1 456 . 10 1 1 A 37 37 TYR H H 29 7.452 8.115 -0.663 1
1 457 . 10 1 1 A 37 37 TYR HA H 29 5.658 5.610 0.048 1
1 464 . 10 1 1 A 37 37 TYR C C 29 172.731 173.458 -0.727 1
1 465 . 10 1 1 A 37 37 TYR CA C 29 54.632 54.837 -0.205 1
1 466 . 10 1 1 A 37 37 TYR CB C 29 39.599 41.340 -1.741 1
1 471 . 10 1 1 A 37 37 TYR N N 29 115.554 121.036 -5.482 1
1 472 . 10 1 1 A 38 38 TYR H H 30 9.116 9.241 -0.125 1
1 473 . 10 1 1 A 38 38 TYR HA H 30 4.626 4.928 -0.302 1
1 480 . 10 1 1 A 38 38 TYR C C 30 175.771 175.501 0.270 1
1 481 . 10 1 1 A 38 38 TYR CA C 30 56.194 57.105 -0.911 1
1 482 . 10 1 1 A 38 38 TYR CB C 30 43.253 42.622 0.631 1
1 487 . 10 1 1 A 38 38 TYR N N 30 117.937 119.320 -1.383 1
1 488 . 10 1 1 A 39 39 ASP H H 31 9.474 9.631 -0.157 1
1 489 . 10 1 1 A 39 39 ASP HA H 31 4.624 4.543 0.081 1
1 492 . 10 1 1 A 39 39 ASP C C 31 176.264 175.923 0.341 1
1 493 . 10 1 1 A 39 39 ASP CA C 31 58.144 56.620 1.524 1
1 494 . 10 1 1 A 39 39 ASP CB C 31 40.399 41.560 -1.161 1
1 495 . 10 1 1 A 39 39 ASP N N 31 121.988 122.365 -0.377 1
1 496 . 10 1 1 A 40 40 SER H H 32 7.511 7.955 -0.444 1
1 497 . 10 1 1 A 40 40 SER HA H 32 4.567 4.665 -0.098 1
1 500 . 10 1 1 A 40 40 SER C C 32 173.752 174.082 -0.330 1
1 501 . 10 1 1 A 40 40 SER CA C 32 57.211 57.023 0.188 1
1 502 . 10 1 1 A 40 40 SER CB C 32 65.547 64.888 0.659 1
1 503 . 10 1 1 A 40 40 SER N N 32 107.441 108.471 -1.030 1
1 504 . 10 1 1 A 41 41 GLN H H 33 8.828 8.256 0.572 1
1 505 . 10 1 1 A 41 41 GLN HA H 33 2.511 3.010 -0.499 1
1 512 . 10 1 1 A 41 41 GLN C C 33 177.001 176.462 0.539 1
1 513 . 10 1 1 A 41 41 GLN CA C 33 58.261 58.692 -0.431 1
1 514 . 10 1 1 A 41 41 GLN CB C 33 27.168 28.160 -0.992 1
1 516 . 10 1 1 A 41 41 GLN N N 33 123.170 120.279 2.891 1
1 518 . 10 1 1 A 42 42 ASP H H 34 7.774 8.240 -0.466 1
1 519 . 10 1 1 A 42 42 ASP HA H 34 4.289 4.233 0.056 1
1 522 . 10 1 1 A 42 42 ASP C C 34 176.567 177.867 -1.300 1
1 523 . 10 1 1 A 42 42 ASP CA C 34 55.710 58.067 -2.357 1
1 524 . 10 1 1 A 42 42 ASP CB C 34 40.459 42.588 -2.129 1
1 525 . 10 1 1 A 42 42 ASP N N 34 116.558 119.556 -2.998 1
1 526 . 10 1 1 A 43 43 ASP H H 35 7.388 8.037 -0.649 1
1 527 . 10 1 1 A 43 43 ASP HA H 35 4.755 4.355 0.400 1
1 530 . 10 1 1 A 43 43 ASP C C 35 177.129 178.454 -1.325 1
1 531 . 10 1 1 A 43 43 ASP CA C 35 54.563 56.241 -1.678 1
1 532 . 10 1 1 A 43 43 ASP CB C 35 42.434 40.731 1.703 1
1 533 . 10 1 1 A 43 43 ASP N N 35 117.173 119.234 -2.061 1
1 534 . 10 1 1 A 44 44 VAL H H 36 7.063 7.309 -0.246 1
1 535 . 10 1 1 A 44 44 VAL HA H 36 3.372 1.601 1.771 1
1 543 . 10 1 1 A 44 44 VAL C C 36 178.169 177.527 0.642 1
1 544 . 10 1 1 A 44 44 VAL CA C 36 65.325 65.597 -0.272 1
1 545 . 10 1 1 A 44 44 VAL CB C 36 31.179 30.978 0.201 1
1 548 . 10 1 1 A 44 44 VAL N N 36 121.695 118.788 2.907 1
1 549 . 10 1 1 A 45 45 CYS H H 37 8.133 7.684 0.449 1
1 550 . 10 1 1 A 45 45 CYS HA H 37 4.425 4.130 0.295 1
1 553 . 10 1 1 A 45 45 CYS C C 37 175.083 176.877 -1.794 1
1 554 . 10 1 1 A 45 45 CYS CA C 37 59.202 62.087 -2.885 1
1 555 . 10 1 1 A 45 45 CYS CB C 37 27.101 27.129 -0.028 1
1 556 . 10 1 1 A 45 45 CYS N N 37 115.191 119.273 -4.082 1
1 557 . 10 1 1 A 46 46 LYS H H 38 7.844 7.581 0.263 1
1 558 . 10 1 1 A 46 46 LYS HA H 38 4.428 4.023 0.405 1
1 567 . 10 1 1 A 46 46 LYS C C 38 177.049 177.579 -0.530 1
1 568 . 10 1 1 A 46 46 LYS CA C 38 56.787 57.254 -0.467 1
1 569 . 10 1 1 A 46 46 LYS CB C 38 33.119 32.831 0.288 1
1 573 . 10 1 1 A 46 46 LYS N N 38 121.496 117.844 3.652 1
1 574 . 10 1 1 A 47 47 GLY H H 39 7.759 7.922 -0.163 1
1 575 . 10 1 1 A 47 47 GLY HA2 H 39 4.022 4.086 -0.064 1
1 576 . 10 1 1 A 47 47 GLY HA3 H 39 4.542 4.165 0.377 1
1 577 . 10 1 1 A 47 47 GLY C C 39 173.037 173.257 -0.220 1
1 578 . 10 1 1 A 47 47 GLY CA C 39 44.261 44.757 -0.496 1
1 579 . 10 1 1 A 47 47 GLY N N 39 107.270 106.531 0.739 1
1 580 . 10 1 1 A 48 48 SER H H 40 8.478 8.735 -0.257 1
1 581 . 10 1 1 A 48 48 SER HA H 40 3.783 4.646 -0.863 1
1 584 . 10 1 1 A 48 48 SER C C 40 175.221 174.695 0.526 1
1 585 . 10 1 1 A 48 48 SER CA C 40 57.947 58.401 -0.454 1
1 586 . 10 1 1 A 48 48 SER CB C 40 63.811 63.515 0.296 1
1 587 . 10 1 1 A 48 48 SER N N 40 116.121 118.151 -2.030 1
1 588 . 10 1 1 A 49 49 LYS H H 41 8.394 9.024 -0.630 1
1 589 . 10 1 1 A 49 49 LYS HA H 41 4.188 4.352 -0.164 1
1 598 . 10 1 1 A 49 49 LYS C C 41 176.470 177.000 -0.530 1
1 599 . 10 1 1 A 49 49 LYS CA C 41 55.331 56.496 -1.165 1
1 600 . 10 1 1 A 49 49 LYS CB C 41 32.293 32.971 -0.678 1
1 604 . 10 1 1 A 49 49 LYS N N 41 120.990 123.479 -2.489 1
1 605 . 10 1 1 A 50 50 GLY H H 42 6.747 7.700 -0.953 1
1 606 . 10 1 1 A 50 50 GLY HA2 H 42 3.531 3.923 -0.392 1
1 607 . 10 1 1 A 50 50 GLY HA3 H 42 3.884 3.983 -0.099 1
1 608 . 10 1 1 A 50 50 GLY C C 42 170.967 172.396 -1.429 1
1 609 . 10 1 1 A 50 50 GLY CA C 42 45.060 45.812 -0.752 1
1 610 . 10 1 1 A 50 50 GLY N N 42 106.048 107.660 -1.612 1
1 611 . 10 1 1 A 51 51 SER H H 43 8.158 8.779 -0.621 1
1 612 . 10 1 1 A 51 51 SER HA H 43 5.343 4.857 0.486 1
1 615 . 10 1 1 A 51 51 SER C C 43 172.787 172.883 -0.096 1
1 616 . 10 1 1 A 51 51 SER CA C 43 57.639 57.496 0.143 1
1 617 . 10 1 1 A 51 51 SER CB C 43 65.897 65.839 0.058 1
1 618 . 10 1 1 A 51 51 SER N N 43 113.080 121.348 -8.268 1
1 619 . 10 1 1 A 52 52 ILE H H 44 9.306 9.185 0.121 1
1 620 . 10 1 1 A 52 52 ILE HA H 44 4.203 4.723 -0.520 1
1 630 . 10 1 1 A 52 52 ILE C C 44 174.340 174.527 -0.187 1
1 631 . 10 1 1 A 52 52 ILE CA C 44 60.326 60.290 0.036 1
1 632 . 10 1 1 A 52 52 ILE CB C 44 42.302 39.456 2.846 1
1 636 . 10 1 1 A 52 52 ILE N N 44 123.385 122.494 0.891 1
1 637 . 10 1 1 A 53 53 LYS H H 45 8.495 8.719 -0.224 1
1 638 . 10 1 1 A 53 53 LYS HA H 45 4.444 4.595 -0.151 1
1 647 . 10 1 1 A 53 53 LYS C C 45 176.283 176.441 -0.158 1
1 648 . 10 1 1 A 53 53 LYS CA C 45 56.255 56.158 0.097 1
1 649 . 10 1 1 A 53 53 LYS CB C 45 32.258 32.528 -0.270 1
1 653 . 10 1 1 A 53 53 LYS N N 45 127.498 129.059 -1.561 1
1 654 . 10 1 1 A 54 54 MET H H 46 8.190 8.479 -0.289 1
1 655 . 10 1 1 A 54 54 MET HA H 46 4.585 4.150 0.435 1
1 663 . 10 1 1 A 54 54 MET C C 46 178.779 178.153 0.626 1
1 664 . 10 1 1 A 54 54 MET CA C 46 55.549 58.624 -3.075 1
1 665 . 10 1 1 A 54 54 MET CB C 46 29.465 31.780 -2.315 1
1 668 . 10 1 1 A 54 54 MET N N 46 123.817 125.395 -1.578 1
1 669 . 10 1 1 A 55 55 ALA H H 47 8.860 7.844 1.016 1
1 670 . 10 1 1 A 55 55 ALA HA H 47 4.142 4.147 -0.005 1
1 674 . 10 1 1 A 55 55 ALA C C 47 178.752 177.865 0.887 1
1 675 . 10 1 1 A 55 55 ALA CA C 47 55.004 54.346 0.658 1
1 676 . 10 1 1 A 55 55 ALA CB C 47 19.312 18.467 0.845 1
1 677 . 10 1 1 A 55 55 ALA N N 47 119.194 121.115 -1.921 1
1 678 . 10 1 1 A 56 56 VAL H H 48 7.127 8.052 -0.925 1
1 679 . 10 1 1 A 56 56 VAL HA H 48 4.592 4.376 0.216 1
1 687 . 10 1 1 A 56 56 VAL C C 48 174.965 175.553 -0.588 1
1 688 . 10 1 1 A 56 56 VAL CA C 48 60.038 61.522 -1.484 1
1 689 . 10 1 1 A 56 56 VAL CB C 48 31.878 33.552 -1.674 1
1 692 . 10 1 1 A 56 56 VAL N N 48 105.989 116.399 -10.410 1
1 693 . 10 1 1 A 57 57 CYS H H 49 7.414 7.751 -0.337 1
1 694 . 10 1 1 A 57 57 CYS HA H 49 4.897 5.144 -0.247 1
1 697 . 10 1 1 A 57 57 CYS C C 49 173.836 172.892 0.944 1
1 698 . 10 1 1 A 57 57 CYS CA C 49 58.123 57.374 0.749 1
1 699 . 10 1 1 A 57 57 CYS CB C 49 30.078 30.837 -0.759 1
1 700 . 10 1 1 A 57 57 CYS N N 49 119.973 121.119 -1.146 1
1 701 . 10 1 1 A 58 58 GLU H H 50 8.852 8.940 -0.088 1
1 702 . 10 1 1 A 58 58 GLU HA H 50 4.674 4.765 -0.091 1
1 707 . 10 1 1 A 58 58 GLU C C 50 175.085 175.093 -0.008 1
1 708 . 10 1 1 A 58 58 GLU CA C 50 54.809 55.952 -1.143 1
1 709 . 10 1 1 A 58 58 GLU CB C 50 31.856 30.958 0.898 1
1 711 . 10 1 1 A 58 58 GLU N N 50 124.719 125.680 -0.961 1
1 712 . 10 1 1 A 59 59 ILE H H 51 8.731 8.854 -0.123 1
1 713 . 10 1 1 A 59 59 ILE HA H 51 4.625 4.980 -0.355 1
1 723 . 10 1 1 A 59 59 ILE C C 51 175.513 174.272 1.241 1
1 724 . 10 1 1 A 59 59 ILE CA C 51 60.675 60.230 0.445 1
1 725 . 10 1 1 A 59 59 ILE CB C 51 39.717 40.119 -0.402 1
1 729 . 10 1 1 A 59 59 ILE N N 51 124.286 125.566 -1.280 1
1 730 . 10 1 1 A 60 60 LYS H H 52 9.212 9.297 -0.085 1
1 731 . 10 1 1 A 60 60 LYS HA H 52 4.829 4.718 0.111 1
1 740 . 10 1 1 A 60 60 LYS C C 52 175.594 175.375 0.219 1
1 741 . 10 1 1 A 60 60 LYS CA C 52 54.490 56.021 -1.531 1
1 742 . 10 1 1 A 60 60 LYS CB C 52 34.908 32.953 1.955 1
1 746 . 10 1 1 A 60 60 LYS N N 52 128.004 129.505 -1.501 1
1 747 . 10 1 1 A 61 61 VAL H H 53 8.776 8.853 -0.077 1
1 748 . 10 1 1 A 61 61 VAL HA H 53 4.087 5.031 -0.944 1
1 756 . 10 1 1 A 61 61 VAL C C 53 175.262 174.747 0.515 1
1 757 . 10 1 1 A 61 61 VAL CA C 53 62.067 61.004 1.063 1
1 758 . 10 1 1 A 61 61 VAL CB C 53 33.296 34.406 -1.110 1
1 761 . 10 1 1 A 61 61 VAL N N 53 124.000 124.795 -0.795 1
1 762 . 10 1 1 A 62 62 HIS H H 54 7.677 8.957 -1.280 1
1 763 . 10 1 1 A 62 62 HIS HA H 54 4.456 4.847 -0.391 1
1 766 . 10 1 1 A 62 62 HIS C C 54 176.465 174.315 2.150 1
1 767 . 10 1 1 A 62 62 HIS CA C 54 57.986 55.762 2.224 1
1 768 . 10 1 1 A 62 62 HIS CB C 54 32.369 33.167 -0.798 1
1 769 . 10 1 1 A 62 62 HIS N N 54 127.177 126.424 0.753 1
1 770 . 10 1 1 A 63 63 SER H H 55 8.552 8.492 0.060 1
1 771 . 10 1 1 A 63 63 SER HA H 55 4.251 3.942 0.309 1
1 774 . 10 1 1 A 63 63 SER C C 55 174.509 173.703 0.806 1
1 775 . 10 1 1 A 63 63 SER CA C 55 60.312 60.449 -0.137 1
1 776 . 10 1 1 A 63 63 SER CB C 55 63.609 61.656 1.953 1
1 777 . 10 1 1 A 63 63 SER N N 55 120.508 121.725 -1.217 1
1 778 . 10 1 1 A 64 64 ALA H H 56 8.807 8.275 0.532 1
1 779 . 10 1 1 A 64 64 ALA HA H 56 4.553 4.520 0.033 1
1 783 . 10 1 1 A 64 64 ALA C C 56 176.763 177.035 -0.272 1
1 784 . 10 1 1 A 64 64 ALA CA C 56 53.183 51.255 1.928 1
1 785 . 10 1 1 A 64 64 ALA CB C 56 20.619 18.721 1.898 1
1 786 . 10 1 1 A 64 64 ALA N N 56 124.728 125.020 -0.292 1
1 787 . 10 1 1 A 65 65 ASP H H 57 8.762 7.586 1.176 1
1 788 . 10 1 1 A 65 65 ASP HA H 57 4.689 4.584 0.105 1
1 791 . 10 1 1 A 65 65 ASP C C 57 176.322 175.809 0.513 1
1 792 . 10 1 1 A 65 65 ASP CA C 57 52.911 55.091 -2.180 1
1 793 . 10 1 1 A 65 65 ASP CB C 57 41.216 41.345 -0.129 1
1 794 . 10 1 1 A 65 65 ASP N N 57 120.574 118.157 2.417 1
1 795 . 10 1 1 A 66 66 ASN H H 58 8.457 8.821 -0.364 1
1 796 . 10 1 1 A 66 66 ASN HA H 58 4.580 4.934 -0.354 1
1 801 . 10 1 1 A 66 66 ASN C C 58 174.296 176.124 -1.828 1
1 802 . 10 1 1 A 66 66 ASN CA C 58 54.146 52.862 1.284 1
1 803 . 10 1 1 A 66 66 ASN CB C 58 37.538 37.439 0.099 1
1 804 . 10 1 1 A 66 66 ASN N N 58 122.233 120.963 1.270 1
1 806 . 10 1 1 A 67 67 THR H H 59 8.411 8.537 -0.126 1
1 807 . 10 1 1 A 67 67 THR HA H 59 4.284 3.987 0.297 1
1 812 . 10 1 1 A 67 67 THR C C 59 175.932 173.508 2.424 1
1 813 . 10 1 1 A 67 67 THR CA C 59 62.159 62.955 -0.796 1
1 814 . 10 1 1 A 67 67 THR CB C 59 70.025 66.458 3.567 1
1 816 . 10 1 1 A 67 67 THR N N 59 104.777 117.517 -12.740 1
1 817 . 10 1 1 A 68 68 ARG H H 60 7.589 7.504 0.085 1
1 818 . 10 1 1 A 68 68 ARG HA H 60 5.044 4.742 0.302 1
1 825 . 10 1 1 A 68 68 ARG C C 60 176.482 175.127 1.355 1
1 826 . 10 1 1 A 68 68 ARG CA C 60 56.516 54.609 1.907 1
1 827 . 10 1 1 A 68 68 ARG CB C 60 34.348 31.655 2.693 1
1 830 . 10 1 1 A 68 68 ARG N N 60 122.336 121.119 1.217 1
1 831 . 10 1 1 A 69 69 MET H H 61 9.018 7.845 1.173 1
1 832 . 10 1 1 A 69 69 MET HA H 61 4.997 5.287 -0.290 1
1 840 . 10 1 1 A 69 69 MET C C 61 172.463 174.580 -2.117 1
1 841 . 10 1 1 A 69 69 MET CA C 61 55.330 53.919 1.411 1
1 842 . 10 1 1 A 69 69 MET CB C 61 37.234 37.517 -0.283 1
1 845 . 10 1 1 A 69 69 MET N N 61 119.640 123.212 -3.572 1
1 846 . 10 1 1 A 70 70 GLU H H 62 8.996 8.751 0.245 1
1 847 . 10 1 1 A 70 70 GLU HA H 62 5.365 4.864 0.501 1
1 852 . 10 1 1 A 70 70 GLU C C 62 173.523 174.388 -0.865 1
1 853 . 10 1 1 A 70 70 GLU CA C 62 54.326 54.950 -0.624 1
1 854 . 10 1 1 A 70 70 GLU CB C 62 33.915 33.626 0.289 1
1 856 . 10 1 1 A 70 70 GLU N N 62 122.200 122.937 -0.737 1
1 857 . 10 1 1 A 71 71 LEU H H 63 8.763 9.400 -0.637 1
1 858 . 10 1 1 A 71 71 LEU HA H 63 5.222 5.510 -0.288 1
1 868 . 10 1 1 A 71 71 LEU C C 63 175.719 174.923 0.796 1
1 869 . 10 1 1 A 71 71 LEU CA C 63 53.222 53.549 -0.327 1
1 870 . 10 1 1 A 71 71 LEU CB C 63 43.781 43.265 0.516 1
1 874 . 10 1 1 A 71 71 LEU N N 63 123.741 127.172 -3.431 1
1 875 . 10 1 1 A 72 72 ILE H H 64 9.006 9.270 -0.264 1
1 876 . 10 1 1 A 72 72 ILE HA H 64 4.316 5.105 -0.789 1
1 886 . 10 1 1 A 72 72 ILE C C 64 175.349 173.397 1.952 1
1 887 . 10 1 1 A 72 72 ILE CA C 64 60.921 60.293 0.628 1
1 888 . 10 1 1 A 72 72 ILE CB C 64 39.919 40.922 -1.003 1
1 892 . 10 1 1 A 72 72 ILE N N 64 123.633 126.635 -3.002 1
1 893 . 10 1 1 A 73 73 ILE H H 65 8.601 9.085 -0.484 1
1 894 . 10 1 1 A 73 73 ILE HA H 65 4.854 4.817 0.037 1
1 904 . 10 1 1 A 73 73 ILE CA C 65 58.440 57.542 0.898 1
1 905 . 10 1 1 A 73 73 ILE CB C 65 39.820 40.856 -1.036 1
1 909 . 10 1 1 A 73 73 ILE N N 65 128.410 129.715 -1.305 1
1 910 . 10 1 1 A 74 74 PRO HA H 66 4.265 4.302 -0.037 1
1 917 . 10 1 1 A 74 74 PRO C C 66 177.170 177.450 -0.280 1
1 918 . 10 1 1 A 74 74 PRO CA C 66 64.500 64.038 0.462 1
1 919 . 10 1 1 A 74 74 PRO CB C 66 31.826 31.417 0.409 1
1 922 . 10 1 1 A 75 75 GLY H H 67 8.704 8.534 0.170 1
1 923 . 10 1 1 A 75 75 GLY HA2 H 67 3.753 3.975 -0.222 1
1 924 . 10 1 1 A 75 75 GLY HA3 H 67 4.251 3.989 0.262 1
1 925 . 10 1 1 A 75 75 GLY C C 67 174.192 175.345 -1.153 1
1 926 . 10 1 1 A 75 75 GLY CA C 67 45.479 45.731 -0.252 1
1 927 . 10 1 1 A 75 75 GLY N N 67 111.825 112.582 -0.757 1
1 928 . 10 1 1 A 76 76 GLU H H 68 8.258 7.778 0.480 1
1 929 . 10 1 1 A 76 76 GLU HA H 68 4.483 4.469 0.014 1
1 934 . 10 1 1 A 76 76 GLU C C 68 175.838 177.182 -1.344 1
1 935 . 10 1 1 A 76 76 GLU CA C 68 56.178 58.307 -2.129 1
1 936 . 10 1 1 A 76 76 GLU CB C 68 31.066 30.614 0.452 1
1 938 . 10 1 1 A 76 76 GLU N N 68 118.446 119.818 -1.372 1
1 939 . 10 1 1 A 77 77 GLN H H 69 8.102 8.382 -0.280 1
1 940 . 10 1 1 A 77 77 GLN HA H 69 4.556 4.496 0.060 1
1 947 . 10 1 1 A 77 77 GLN C C 69 175.179 175.344 -0.165 1
1 948 . 10 1 1 A 77 77 GLN CA C 69 55.633 56.747 -1.114 1
1 949 . 10 1 1 A 77 77 GLN CB C 69 31.116 28.873 2.243 1
1 951 . 10 1 1 A 77 77 GLN N N 69 117.826 119.032 -1.206 1
1 953 . 10 1 1 A 78 78 HIS H H 70 8.857 8.950 -0.093 1
1 954 . 10 1 1 A 78 78 HIS HA H 70 4.923 4.167 0.756 1
1 957 . 10 1 1 A 78 78 HIS C C 70 173.113 173.713 -0.600 1
1 958 . 10 1 1 A 78 78 HIS CA C 70 54.623 56.730 -2.107 1
1 959 . 10 1 1 A 78 78 HIS CB C 70 30.231 27.935 2.296 1
1 960 . 10 1 1 A 78 78 HIS N N 70 120.752 119.082 1.670 1
1 961 . 10 1 1 A 79 79 PHE H H 71 9.120 7.299 1.821 1
1 962 . 10 1 1 A 79 79 PHE HA H 71 4.797 4.823 -0.026 1
1 967 . 10 1 1 A 79 79 PHE C C 71 174.341 173.827 0.514 1
1 968 . 10 1 1 A 79 79 PHE CA C 71 56.191 56.325 -0.134 1
1 969 . 10 1 1 A 79 79 PHE CB C 71 40.983 40.069 0.914 1
1 970 . 10 1 1 A 79 79 PHE N N 71 124.577 118.610 5.967 1
1 971 . 10 1 1 A 80 80 TYR H H 72 8.883 8.911 -0.028 1
1 972 . 10 1 1 A 80 80 TYR HA H 72 5.142 5.218 -0.076 1
1 979 . 10 1 1 A 80 80 TYR C C 72 175.115 173.858 1.257 1
1 980 . 10 1 1 A 80 80 TYR CA C 72 57.353 56.381 0.972 1
1 981 . 10 1 1 A 80 80 TYR CB C 72 39.753 41.933 -2.180 1
1 986 . 10 1 1 A 80 80 TYR N N 72 124.010 125.429 -1.419 1
1 987 . 10 1 1 A 81 81 MET H H 73 8.824 8.131 0.693 1
1 988 . 10 1 1 A 81 81 MET HA H 73 5.983 5.050 0.933 1
1 996 . 10 1 1 A 81 81 MET C C 73 175.053 174.653 0.400 1
1 997 . 10 1 1 A 81 81 MET CA C 73 54.453 53.771 0.682 1
1 998 . 10 1 1 A 81 81 MET CB C 73 38.584 36.430 2.154 1
1 1001 . 10 1 1 A 81 81 MET N N 73 120.151 124.598 -4.447 1
1 1002 . 10 1 1 A 82 82 LYS H H 74 9.103 8.875 0.228 1
1 1003 . 10 1 1 A 82 82 LYS HA H 74 4.800 4.847 -0.047 1
1 1012 . 10 1 1 A 82 82 LYS C C 74 174.244 175.769 -1.525 1
1 1013 . 10 1 1 A 82 82 LYS CA C 74 55.314 54.864 0.450 1
1 1014 . 10 1 1 A 82 82 LYS CB C 74 36.251 36.147 0.104 1
1 1018 . 10 1 1 A 82 82 LYS N N 74 121.097 123.461 -2.364 1
1 1019 . 10 1 1 A 83 83 ALA H H 75 8.740 8.662 0.078 1
1 1020 . 10 1 1 A 83 83 ALA HA H 75 4.786 4.541 0.245 1
1 1024 . 10 1 1 A 83 83 ALA C C 75 177.126 178.440 -1.314 1
1 1025 . 10 1 1 A 83 83 ALA CA C 75 49.893 51.572 -1.679 1
1 1026 . 10 1 1 A 83 83 ALA CB C 75 21.311 19.869 1.442 1
1 1027 . 10 1 1 A 83 83 ALA N N 75 126.624 128.163 -1.539 1
1 1028 . 10 1 1 A 84 84 VAL H H 76 9.105 8.655 0.450 1
1 1029 . 10 1 1 A 84 84 VAL HA H 76 3.835 3.798 0.037 1
1 1037 . 10 1 1 A 84 84 VAL C C 76 175.635 176.000 -0.365 1
1 1038 . 10 1 1 A 84 84 VAL CA C 76 64.888 65.561 -0.673 1
1 1039 . 10 1 1 A 84 84 VAL CB C 76 32.097 32.003 0.094 1
1 1042 . 10 1 1 A 84 84 VAL N N 76 115.195 119.076 -3.881 1
1 1043 . 10 1 1 A 85 85 ASN H H 77 7.278 7.947 -0.669 1
1 1044 . 10 1 1 A 85 85 ASN HA H 77 4.476 4.995 -0.519 1
1 1049 . 10 1 1 A 85 85 ASN C C 77 174.796 175.392 -0.596 1
1 1050 . 10 1 1 A 85 85 ASN CA C 77 52.193 51.506 0.687 1
1 1051 . 10 1 1 A 85 85 ASN CB C 77 39.702 40.728 -1.026 1
1 1052 . 10 1 1 A 85 85 ASN N N 77 109.430 115.377 -5.947 1
1 1054 . 10 1 1 A 86 86 ALA H H 78 8.681 8.822 -0.141 1
1 1055 . 10 1 1 A 86 86 ALA HA H 78 4.195 4.015 0.180 1
1 1059 . 10 1 1 A 86 86 ALA C C 78 180.157 179.976 0.181 1
1 1060 . 10 1 1 A 86 86 ALA CA C 78 54.919 55.494 -0.575 1
1 1061 . 10 1 1 A 86 86 ALA CB C 78 18.721 18.169 0.552 1
1 1062 . 10 1 1 A 86 86 ALA N N 78 121.886 121.970 -0.084 1
1 1063 . 10 1 1 A 87 87 ALA H H 79 8.386 8.203 0.183 1
1 1064 . 10 1 1 A 87 87 ALA HA H 79 4.200 4.002 0.198 1
1 1068 . 10 1 1 A 87 87 ALA C C 79 181.167 179.977 1.190 1
1 1069 . 10 1 1 A 87 87 ALA CA C 79 55.195 55.265 -0.070 1
1 1070 . 10 1 1 A 87 87 ALA CB C 79 17.663 18.348 -0.685 1
1 1071 . 10 1 1 A 87 87 ALA N N 79 123.939 119.856 4.083 1
1 1072 . 10 1 1 A 88 88 GLU H H 80 8.743 7.926 0.817 1
1 1073 . 10 1 1 A 88 88 GLU HA H 80 4.260 4.055 0.205 1
1 1078 . 10 1 1 A 88 88 GLU C C 80 178.848 179.091 -0.243 1
1 1079 . 10 1 1 A 88 88 GLU CA C 80 59.191 59.378 -0.187 1
1 1080 . 10 1 1 A 88 88 GLU CB C 80 29.898 29.188 0.710 1
1 1082 . 10 1 1 A 88 88 GLU N N 80 119.694 117.897 1.797 1
1 1083 . 10 1 1 A 89 89 ARG H H 81 7.936 8.121 -0.185 1
1 1084 . 10 1 1 A 89 89 ARG HA H 81 3.780 4.071 -0.291 1
1 1087 . 10 1 1 A 89 89 ARG C C 81 177.596 178.710 -1.114 1
1 1088 . 10 1 1 A 89 89 ARG CA C 81 61.042 59.607 1.435 1
1 1089 . 10 1 1 A 89 89 ARG CB C 81 29.630 29.945 -0.315 1
1 1090 . 10 1 1 A 89 89 ARG N N 81 119.080 121.178 -2.098 1
1 1091 . 10 1 1 A 90 90 GLN H H 82 8.063 7.941 0.122 1
1 1092 . 10 1 1 A 90 90 GLN HA H 82 4.039 4.040 -0.001 1
1 1099 . 10 1 1 A 90 90 GLN C C 82 177.419 178.356 -0.937 1
1 1100 . 10 1 1 A 90 90 GLN CA C 82 59.069 59.091 -0.022 1
1 1101 . 10 1 1 A 90 90 GLN CB C 82 27.786 28.218 -0.432 1
1 1103 . 10 1 1 A 90 90 GLN N N 82 118.390 118.544 -0.154 1
1 1105 . 10 1 1 A 91 91 ARG H H 83 7.700 7.612 0.088 1
1 1106 . 10 1 1 A 91 91 ARG HA H 83 3.961 3.975 -0.014 1
1 1114 . 10 1 1 A 91 91 ARG C C 83 180.016 178.993 1.023 1
1 1115 . 10 1 1 A 91 91 ARG CA C 83 59.750 59.493 0.257 1
1 1116 . 10 1 1 A 91 91 ARG CB C 83 30.401 29.625 0.776 1
1 1119 . 10 1 1 A 91 91 ARG N N 83 117.912 118.598 -0.686 1
1 1121 . 10 1 1 A 92 92 TRP H H 84 7.895 7.770 0.125 1
1 1122 . 10 1 1 A 92 92 TRP HA H 84 4.115 4.468 -0.353 1
1 1130 . 10 1 1 A 92 92 TRP C C 84 178.111 179.175 -1.064 1
1 1131 . 10 1 1 A 92 92 TRP CA C 84 61.633 59.875 1.758 1
1 1132 . 10 1 1 A 92 92 TRP CB C 84 29.032 29.573 -0.541 1
1 1137 . 10 1 1 A 92 92 TRP N N 84 119.237 121.072 -1.835 1
1 1139 . 10 1 1 A 93 93 LEU H H 85 8.988 8.875 0.113 1
1 1140 . 10 1 1 A 93 93 LEU HA H 85 3.978 3.979 -0.001 1
1 1150 . 10 1 1 A 93 93 LEU C C 85 180.925 179.642 1.283 1
1 1151 . 10 1 1 A 93 93 LEU CA C 85 58.716 57.910 0.806 1
1 1152 . 10 1 1 A 93 93 LEU CB C 85 41.506 41.144 0.362 1
1 1156 . 10 1 1 A 93 93 LEU N N 85 119.853 120.285 -0.432 1
1 1157 . 10 1 1 A 94 94 VAL H H 86 8.233 8.351 -0.118 1
1 1158 . 10 1 1 A 94 94 VAL HA H 86 3.695 3.523 0.172 1
1 1166 . 10 1 1 A 94 94 VAL C C 86 178.733 177.901 0.832 1
1 1167 . 10 1 1 A 94 94 VAL CA C 86 66.250 66.604 -0.354 1
1 1168 . 10 1 1 A 94 94 VAL CB C 86 31.886 31.573 0.313 1
1 1171 . 10 1 1 A 94 94 VAL N N 86 120.164 119.800 0.364 1
1 1172 . 10 1 1 A 95 95 ALA H H 87 7.345 7.711 -0.366 1
1 1173 . 10 1 1 A 95 95 ALA HA H 87 4.113 4.018 0.095 1
1 1177 . 10 1 1 A 95 95 ALA C C 87 180.055 180.482 -0.427 1
1 1178 . 10 1 1 A 95 95 ALA CA C 87 55.410 55.297 0.113 1
1 1179 . 10 1 1 A 95 95 ALA CB C 87 18.816 18.539 0.277 1
1 1180 . 10 1 1 A 95 95 ALA N N 87 123.818 121.585 2.233 1
1 1181 . 10 1 1 A 96 96 LEU H H 88 9.342 8.747 0.595 1
1 1182 . 10 1 1 A 96 96 LEU HA H 88 4.003 4.034 -0.031 1
1 1192 . 10 1 1 A 96 96 LEU C C 88 179.349 179.296 0.053 1
1 1193 . 10 1 1 A 96 96 LEU CA C 88 57.786 58.299 -0.513 1
1 1194 . 10 1 1 A 96 96 LEU CB C 88 41.848 41.903 -0.055 1
1 1198 . 10 1 1 A 96 96 LEU N N 88 117.857 118.400 -0.543 1
1 1199 . 10 1 1 A 97 97 GLY H H 89 8.252 8.400 -0.148 1
1 1200 . 10 1 1 A 97 97 GLY HA2 H 89 3.819 3.837 -0.018 1
1 1201 . 10 1 1 A 97 97 GLY HA3 H 89 3.948 3.839 0.109 1
1 1202 . 10 1 1 A 97 97 GLY C C 89 176.463 176.705 -0.242 1
1 1203 . 10 1 1 A 97 97 GLY CA C 89 46.620 47.514 -0.894 1
1 1204 . 10 1 1 A 97 97 GLY N N 89 105.618 105.849 -0.231 1
1 1205 . 10 1 1 A 98 98 SER H H 90 8.068 8.068 0.000 1
1 1206 . 10 1 1 A 98 98 SER HA H 90 4.377 4.275 0.102 1
1 1209 . 10 1 1 A 98 98 SER C C 90 176.144 176.044 0.100 1
1 1210 . 10 1 1 A 98 98 SER CA C 90 60.842 62.337 -1.495 1
1 1211 . 10 1 1 A 98 98 SER CB C 90 63.116 62.940 0.176 1
1 1212 . 10 1 1 A 98 98 SER N N 90 117.602 120.206 -2.604 1
1 1213 . 10 1 1 A 99 99 SER H H 91 8.036 7.642 0.394 1
1 1214 . 10 1 1 A 99 99 SER HA H 91 4.324 4.197 0.127 1
1 1217 . 10 1 1 A 99 99 SER C C 91 175.818 176.998 -1.180 1
1 1218 . 10 1 1 A 99 99 SER CA C 91 60.720 61.289 -0.569 1
1 1219 . 10 1 1 A 99 99 SER CB C 91 63.831 63.220 0.611 1
1 1220 . 10 1 1 A 99 99 SER N N 91 116.877 116.754 0.123 1
1 1221 . 10 1 1 A 100 100 LYS H H 92 7.838 7.671 0.167 1
1 1222 . 10 1 1 A 100 100 LYS HA H 92 4.068 4.066 0.002 1
1 1231 . 10 1 1 A 100 100 LYS C C 92 177.235 178.017 -0.782 1
1 1232 . 10 1 1 A 100 100 LYS CA C 92 58.121 58.912 -0.791 1
1 1233 . 10 1 1 A 100 100 LYS CB C 92 32.263 32.359 -0.096 1
1 1237 . 10 1 1 A 100 100 LYS N N 92 119.456 121.649 -2.193 1
1 1238 . 10 1 1 A 101 101 ALA H H 93 7.924 7.577 0.347 1
1 1239 . 10 1 1 A 101 101 ALA HA H 93 4.321 4.195 0.126 1
1 1243 . 10 1 1 A 101 101 ALA C C 93 178.323 178.103 0.220 1
1 1244 . 10 1 1 A 101 101 ALA CA C 93 53.435 53.433 0.002 1
1 1245 . 10 1 1 A 101 101 ALA CB C 93 18.969 18.273 0.696 1
1 1246 . 10 1 1 A 101 101 ALA N N 93 122.054 121.348 0.706 1
1 1247 . 10 1 1 A 102 102 SER H H 94 8.061 8.703 -0.642 1
1 1248 . 10 1 1 A 102 102 SER HA H 94 4.451 4.071 0.380 1
1 1251 . 10 1 1 A 102 102 SER C C 94 174.773 172.491 2.282 1
1 1252 . 10 1 1 A 102 102 SER CA C 94 59.086 59.316 -0.230 1
1 1253 . 10 1 1 A 102 102 SER CB C 94 63.766 61.673 2.093 1
1 1254 . 10 1 1 A 102 102 SER N N 94 114.102 114.525 -0.423 1
1 1255 . 10 1 1 A 103 103 LEU H H 95 8.053 7.403 0.650 1
1 1256 . 10 1 1 A 103 103 LEU HA H 95 4.507 4.843 -0.336 1
1 1266 . 10 1 1 A 103 103 LEU C C 95 177.589 176.171 1.418 1
1 1267 . 10 1 1 A 103 103 LEU CA C 95 55.398 53.312 2.086 1
1 1268 . 10 1 1 A 103 103 LEU CB C 95 42.435 44.515 -2.080 1
1 1272 . 10 1 1 A 103 103 LEU N N 95 123.264 120.616 2.648 1
1 1273 . 10 1 1 A 104 104 THR H H 96 8.045 8.495 -0.450 1
1 1274 . 10 1 1 A 104 104 THR HA H 96 4.383 4.363 0.020 1
1 1279 . 10 1 1 A 104 104 THR C C 96 174.128 172.987 1.141 1
1 1280 . 10 1 1 A 104 104 THR CA C 96 61.982 62.013 -0.031 1
1 1281 . 10 1 1 A 104 104 THR CB C 96 69.938 68.429 1.509 1
1 1283 . 10 1 1 A 104 104 THR N N 96 113.833 120.315 -6.482 1
1 1284 . 10 1 1 A 105 105 ASP H H 97 8.346 8.430 -0.084 1
1 1285 . 10 1 1 A 105 105 ASP HA H 97 4.740 5.033 -0.293 1
1 1288 . 10 1 1 A 105 105 ASP C C 97 176.310 176.153 0.157 1
1 1289 . 10 1 1 A 105 105 ASP CA C 97 54.300 52.538 1.762 1
1 1290 . 10 1 1 A 105 105 ASP CB C 97 41.174 42.720 -1.546 1
1 1291 . 10 1 1 A 105 105 ASP N N 97 123.107 122.287 0.820 1
1 1292 . 10 1 1 A 106 106 THR H H 98 8.147 8.824 -0.677 1
1 1293 . 10 1 1 A 106 106 THR HA H 98 4.355 4.061 0.294 1
1 1298 . 10 1 1 A 106 106 THR C C 98 174.523 174.125 0.398 1
1 1299 . 10 1 1 A 106 106 THR CA C 98 61.937 62.947 -1.010 1
1 1300 . 10 1 1 A 106 106 THR CB C 98 69.656 66.597 3.059 1
1 1302 . 10 1 1 A 106 106 THR N N 98 114.857 115.870 -1.013 1
1 1303 . 10 1 1 A 107 107 ARG H H 99 8.385 7.701 0.684 1
1 1304 . 10 1 1 A 107 107 ARG HA H 99 4.442 4.697 -0.255 1
1 1312 . 10 1 1 A 107 107 ARG C C 99 175.764 175.446 0.318 1
1 1313 . 10 1 1 A 107 107 ARG CA C 99 56.311 55.023 1.288 1
1 1314 . 10 1 1 A 107 107 ARG CB C 99 30.745 32.168 -1.423 1
1 1317 . 10 1 1 A 107 107 ARG N N 99 123.999 123.646 0.353 1
1 1 . 11 1 1 A 2 2 PRO HA H -6 4.460 4.500 -0.040 1
1 8 . 11 1 1 A 2 2 PRO C C -6 176.875 176.594 0.281 1
1 9 . 11 1 1 A 2 2 PRO CA C -6 63.159 63.107 0.052 1
1 10 . 11 1 1 A 2 2 PRO CB C -6 32.292 31.608 0.684 1
1 13 . 11 1 1 A 3 3 LEU H H -5 8.483 8.515 -0.032 1
1 14 . 11 1 1 A 3 3 LEU HA H -5 4.334 4.093 0.241 1
1 24 . 11 1 1 A 3 3 LEU C C -5 177.797 177.443 0.354 1
1 25 . 11 1 1 A 3 3 LEU CA C -5 55.474 56.233 -0.759 1
1 26 . 11 1 1 A 3 3 LEU CB C -5 42.239 41.876 0.363 1
1 30 . 11 1 1 A 3 3 LEU N N -5 122.315 124.066 -1.751 1
1 31 . 11 1 1 A 4 4 GLY H H -4 8.393 8.771 -0.378 1
1 32 . 11 1 1 A 4 4 GLY HA2 H -4 3.978 3.924 0.054 1
1 33 . 11 1 1 A 4 4 GLY HA3 H -4 3.978 3.924 0.054 1
1 34 . 11 1 1 A 4 4 GLY C C -4 173.730 173.664 0.066 1
1 35 . 11 1 1 A 4 4 GLY CA C -4 45.158 46.609 -1.451 1
1 36 . 11 1 1 A 4 4 GLY N N -4 109.911 115.948 -6.037 1
1 37 . 11 1 1 A 5 5 SER H H -3 8.162 8.231 -0.069 1
1 38 . 11 1 1 A 5 5 SER HA H -3 4.764 4.700 0.064 1
1 41 . 11 1 1 A 5 5 SER CA C -3 56.323 59.386 -3.063 1
1 42 . 11 1 1 A 5 5 SER CB C -3 63.515 65.982 -2.467 1
1 43 . 11 1 1 A 5 5 SER N N -3 116.873 116.750 0.123 1
1 44 . 11 1 1 A 6 6 PRO HA H -2 4.399 4.389 0.010 1
1 47 . 11 1 1 A 6 6 PRO C C -2 176.587 175.696 0.891 1
1 48 . 11 1 1 A 6 6 PRO CA C -2 63.552 63.547 0.005 1
1 49 . 11 1 1 A 6 6 PRO CB C -2 31.997 31.724 0.273 1
1 50 . 11 1 1 A 7 7 GLU H H -1 8.364 8.652 -0.288 1
1 51 . 11 1 1 A 7 7 GLU HA H -1 4.285 4.720 -0.435 1
1 56 . 11 1 1 A 7 7 GLU C C -1 174.954 175.296 -0.342 1
1 57 . 11 1 1 A 7 7 GLU CA C -1 56.486 55.132 1.354 1
1 58 . 11 1 1 A 7 7 GLU CB C -1 29.924 29.567 0.357 1
1 60 . 11 1 1 A 7 7 GLU N N -1 119.665 123.391 -3.726 1
1 61 . 11 1 1 A 8 8 PHE H H 0 7.872 8.997 -1.125 1
1 62 . 11 1 1 A 8 8 PHE HA H 0 5.204 5.742 -0.538 1
1 67 . 11 1 1 A 8 8 PHE C C 0 174.670 173.714 0.956 1
1 68 . 11 1 1 A 8 8 PHE CA C 0 56.861 56.346 0.515 1
1 69 . 11 1 1 A 8 8 PHE CB C 0 41.874 42.564 -0.690 1
1 72 . 11 1 1 A 8 8 PHE N N 0 122.497 127.349 -4.852 1
1 73 . 11 1 1 A 9 9 MET H H 1 7.833 8.245 -0.412 1
1 74 . 11 1 1 A 9 9 MET HA H 1 4.095 4.697 -0.602 1
1 82 . 11 1 1 A 9 9 MET C C 1 171.191 173.965 -2.774 1
1 83 . 11 1 1 A 9 9 MET CA C 1 54.613 53.847 0.766 1
1 84 . 11 1 1 A 9 9 MET CB C 1 34.867 35.335 -0.468 1
1 87 . 11 1 1 A 9 9 MET N N 1 127.163 126.681 0.482 1
1 88 . 11 1 1 A 10 10 GLU H H 2 7.698 8.612 -0.914 1
1 89 . 11 1 1 A 10 10 GLU HA H 2 5.603 4.956 0.647 1
1 94 . 11 1 1 A 10 10 GLU C C 2 174.743 174.493 0.250 1
1 95 . 11 1 1 A 10 10 GLU CA C 2 53.345 54.196 -0.851 1
1 96 . 11 1 1 A 10 10 GLU CB C 2 32.408 33.599 -1.191 1
1 98 . 11 1 1 A 10 10 GLU N N 2 118.654 121.939 -3.285 1
1 99 . 11 1 1 A 11 11 GLY H H 3 7.994 7.245 0.749 1
1 100 . 11 1 1 A 11 11 GLY HA2 H 3 3.115 3.698 -0.583 1
1 101 . 11 1 1 A 11 11 GLY HA3 H 3 4.377 4.182 0.195 1
1 102 . 11 1 1 A 11 11 GLY C C 3 170.878 171.699 -0.821 1
1 103 . 11 1 1 A 11 11 GLY CA C 3 45.086 44.492 0.594 1
1 104 . 11 1 1 A 11 11 GLY N N 3 108.296 106.223 2.073 1
1 105 . 11 1 1 A 12 12 VAL H H 4 8.463 8.468 -0.005 1
1 106 . 11 1 1 A 12 12 VAL HA H 4 4.969 5.468 -0.499 1
1 114 . 11 1 1 A 12 12 VAL C C 4 177.805 174.316 3.489 1
1 115 . 11 1 1 A 12 12 VAL CA C 4 62.373 59.099 3.274 1
1 116 . 11 1 1 A 12 12 VAL CB C 4 33.152 35.584 -2.432 1
1 119 . 11 1 1 A 12 12 VAL N N 4 119.624 116.500 3.124 1
1 120 . 11 1 1 A 13 13 LEU H H 5 8.647 9.101 -0.454 1
1 121 . 11 1 1 A 13 13 LEU HA H 5 4.382 4.911 -0.529 1
1 131 . 11 1 1 A 13 13 LEU C C 5 175.407 175.488 -0.081 1
1 132 . 11 1 1 A 13 13 LEU CA C 5 54.139 53.667 0.472 1
1 133 . 11 1 1 A 13 13 LEU CB C 5 46.374 45.519 0.855 1
1 137 . 11 1 1 A 13 13 LEU N N 5 125.806 122.624 3.182 1
1 138 . 11 1 1 A 14 14 TYR H H 6 9.007 9.268 -0.261 1
1 139 . 11 1 1 A 14 14 TYR HA H 6 5.026 5.208 -0.182 1
1 144 . 11 1 1 A 14 14 TYR C C 6 175.047 174.608 0.439 1
1 145 . 11 1 1 A 14 14 TYR CA C 6 57.484 58.900 -1.416 1
1 146 . 11 1 1 A 14 14 TYR CB C 6 39.400 38.850 0.550 1
1 147 . 11 1 1 A 14 14 TYR N N 6 118.975 124.943 -5.968 1
1 148 . 11 1 1 A 15 15 LYS H H 7 9.549 8.964 0.585 1
1 149 . 11 1 1 A 15 15 LYS HA H 7 5.467 4.748 0.719 1
1 158 . 11 1 1 A 15 15 LYS C C 7 175.772 175.587 0.185 1
1 159 . 11 1 1 A 15 15 LYS CA C 7 54.136 54.611 -0.475 1
1 160 . 11 1 1 A 15 15 LYS CB C 7 37.043 34.867 2.176 1
1 164 . 11 1 1 A 15 15 LYS N N 7 123.867 128.198 -4.331 1
1 165 . 11 1 1 A 16 16 TRP H H 8 8.355 8.673 -0.318 1
1 166 . 11 1 1 A 16 16 TRP HA H 8 3.893 4.787 -0.894 1
1 175 . 11 1 1 A 16 16 TRP C C 8 176.038 176.458 -0.420 1
1 176 . 11 1 1 A 16 16 TRP CA C 8 57.880 57.041 0.839 1
1 177 . 11 1 1 A 16 16 TRP CB C 8 29.347 30.389 -1.042 1
1 183 . 11 1 1 A 16 16 TRP N N 8 129.111 129.736 -0.625 1
1 185 . 11 1 1 A 17 17 THR H H 9 6.754 8.153 -1.399 1
1 186 . 11 1 1 A 17 17 THR HA H 9 4.127 4.370 -0.243 1
1 191 . 11 1 1 A 17 17 THR C C 9 172.153 174.184 -2.031 1
1 192 . 11 1 1 A 17 17 THR CA C 9 61.413 61.891 -0.478 1
1 193 . 11 1 1 A 17 17 THR CB C 9 69.317 69.238 0.079 1
1 195 . 11 1 1 A 17 17 THR N N 9 121.030 118.236 2.794 1
1 196 . 11 1 1 A 18 18 ASN H H 10 7.418 6.889 0.529 1
1 197 . 11 1 1 A 18 18 ASN HA H 10 4.051 4.785 -0.734 1
1 202 . 11 1 1 A 18 18 ASN C C 10 174.308 174.286 0.022 1
1 203 . 11 1 1 A 18 18 ASN CA C 10 52.089 52.079 0.010 1
1 204 . 11 1 1 A 18 18 ASN CB C 10 39.339 41.214 -1.875 1
1 205 . 11 1 1 A 18 18 ASN N N 10 115.655 117.255 -1.600 1
1 207 . 11 1 1 A 19 19 TYR H H 11 8.348 8.858 -0.510 1
1 208 . 11 1 1 A 19 19 TYR HA H 11 4.284 4.404 -0.120 1
1 215 . 11 1 1 A 19 19 TYR C C 11 175.974 177.419 -1.445 1
1 216 . 11 1 1 A 19 19 TYR CA C 11 60.774 60.342 0.432 1
1 217 . 11 1 1 A 19 19 TYR CB C 11 37.815 37.892 -0.077 1
1 222 . 11 1 1 A 19 19 TYR N N 11 115.508 123.763 -8.255 1
1 223 . 11 1 1 A 20 20 LEU H H 12 7.827 7.788 0.039 1
1 224 . 11 1 1 A 20 20 LEU HA H 12 4.091 3.995 0.096 1
1 234 . 11 1 1 A 20 20 LEU C C 12 178.711 179.006 -0.295 1
1 235 . 11 1 1 A 20 20 LEU CA C 12 56.966 57.653 -0.687 1
1 236 . 11 1 1 A 20 20 LEU CB C 12 41.922 41.657 0.265 1
1 240 . 11 1 1 A 20 20 LEU N N 12 120.867 122.391 -1.524 1
1 241 . 11 1 1 A 21 21 THR H H 13 7.651 7.629 0.022 1
1 242 . 11 1 1 A 21 21 THR HA H 13 4.162 4.284 -0.122 1
1 247 . 11 1 1 A 21 21 THR C C 13 175.842 174.316 1.526 1
1 248 . 11 1 1 A 21 21 THR CA C 13 62.159 62.478 -0.319 1
1 249 . 11 1 1 A 21 21 THR CB C 13 69.191 70.365 -1.174 1
1 251 . 11 1 1 A 21 21 THR N N 13 108.304 107.518 0.786 1
1 252 . 11 1 1 A 22 22 GLY H H 14 7.679 7.944 -0.265 1
1 253 . 11 1 1 A 22 22 GLY HA2 H 14 2.802 3.844 -1.042 1
1 254 . 11 1 1 A 22 22 GLY HA3 H 14 3.715 4.027 -0.312 1
1 255 . 11 1 1 A 22 22 GLY C C 14 175.108 173.519 1.589 1
1 256 . 11 1 1 A 22 22 GLY CA C 14 46.131 46.602 -0.471 1
1 257 . 11 1 1 A 22 22 GLY N N 14 109.901 110.203 -0.302 1
1 258 . 11 1 1 A 23 23 TRP H H 15 8.817 8.332 0.485 1
1 259 . 11 1 1 A 23 23 TRP HA H 15 4.724 5.764 -1.040 1
1 268 . 11 1 1 A 23 23 TRP C C 15 176.569 175.293 1.276 1
1 269 . 11 1 1 A 23 23 TRP CA C 15 56.897 55.169 1.728 1
1 270 . 11 1 1 A 23 23 TRP CB C 15 29.825 33.101 -3.276 1
1 275 . 11 1 1 A 23 23 TRP N N 15 126.927 121.693 5.234 1
1 277 . 11 1 1 A 24 24 GLN H H 16 8.931 8.627 0.304 1
1 278 . 11 1 1 A 24 24 GLN HA H 16 5.186 4.339 0.847 1
1 285 . 11 1 1 A 24 24 GLN CA C 16 52.369 51.781 0.588 1
1 286 . 11 1 1 A 24 24 GLN CB C 16 31.536 30.551 0.985 1
1 288 . 11 1 1 A 24 24 GLN N N 16 122.710 120.227 2.483 1
1 290 . 11 1 1 A 25 25 PRO HA H 17 4.206 5.035 -0.829 1
1 297 . 11 1 1 A 25 25 PRO C C 17 176.918 176.055 0.863 1
1 298 . 11 1 1 A 25 25 PRO CA C 17 62.894 63.048 -0.154 1
1 299 . 11 1 1 A 25 25 PRO CB C 17 31.444 31.765 -0.321 1
1 302 . 11 1 1 A 26 26 ARG H H 18 9.041 8.832 0.209 1
1 303 . 11 1 1 A 26 26 ARG HA H 18 4.857 4.945 -0.088 1
1 310 . 11 1 1 A 26 26 ARG C C 18 173.102 174.600 -1.498 1
1 311 . 11 1 1 A 26 26 ARG CA C 18 53.273 54.738 -1.465 1
1 312 . 11 1 1 A 26 26 ARG CB C 18 34.254 33.260 0.994 1
1 315 . 11 1 1 A 26 26 ARG N N 18 123.602 123.761 -0.159 1
1 316 . 11 1 1 A 27 27 TRP H H 19 8.375 8.393 -0.018 1
1 317 . 11 1 1 A 27 27 TRP HA H 19 5.077 5.276 -0.199 1
1 326 . 11 1 1 A 27 27 TRP C C 19 174.728 174.872 -0.144 1
1 327 . 11 1 1 A 27 27 TRP CA C 19 56.157 56.699 -0.542 1
1 328 . 11 1 1 A 27 27 TRP CB C 19 31.116 31.763 -0.647 1
1 334 . 11 1 1 A 27 27 TRP N N 19 121.669 124.944 -3.275 1
1 336 . 11 1 1 A 28 28 PHE H H 20 9.016 8.888 0.128 1
1 337 . 11 1 1 A 28 28 PHE HA H 20 5.385 5.474 -0.089 1
1 345 . 11 1 1 A 28 28 PHE C C 20 174.685 174.465 0.220 1
1 346 . 11 1 1 A 28 28 PHE CA C 20 56.699 56.413 0.286 1
1 347 . 11 1 1 A 28 28 PHE CB C 20 43.155 43.681 -0.526 1
1 353 . 11 1 1 A 28 28 PHE N N 20 128.520 125.904 2.616 1
1 354 . 11 1 1 A 29 29 VAL H H 21 9.058 9.066 -0.008 1
1 355 . 11 1 1 A 29 29 VAL HA H 21 4.681 5.109 -0.428 1
1 363 . 11 1 1 A 29 29 VAL C C 21 174.804 173.883 0.921 1
1 364 . 11 1 1 A 29 29 VAL CA C 21 61.719 59.666 2.053 1
1 365 . 11 1 1 A 29 29 VAL CB C 21 36.416 35.807 0.609 1
1 368 . 11 1 1 A 29 29 VAL N N 21 117.562 116.695 0.867 1
1 369 . 11 1 1 A 30 30 LEU H H 22 9.543 9.013 0.530 1
1 370 . 11 1 1 A 30 30 LEU HA H 22 5.311 5.213 0.098 1
1 380 . 11 1 1 A 30 30 LEU C C 22 173.506 174.948 -1.442 1
1 381 . 11 1 1 A 30 30 LEU CA C 22 53.213 53.830 -0.617 1
1 382 . 11 1 1 A 30 30 LEU CB C 22 44.939 44.090 0.849 1
1 386 . 11 1 1 A 30 30 LEU N N 22 131.939 127.293 4.646 1
1 387 . 11 1 1 A 31 31 ASP H H 23 8.513 9.063 -0.550 1
1 388 . 11 1 1 A 31 31 ASP HA H 23 5.151 5.282 -0.131 1
1 391 . 11 1 1 A 31 31 ASP C C 23 176.940 174.948 1.992 1
1 392 . 11 1 1 A 31 31 ASP CA C 23 53.671 52.669 1.002 1
1 393 . 11 1 1 A 31 31 ASP CB C 23 43.770 44.047 -0.277 1
1 394 . 11 1 1 A 31 31 ASP N N 23 121.978 124.618 -2.640 1
1 395 . 11 1 1 A 32 32 ASN H H 24 9.280 9.437 -0.157 1
1 396 . 11 1 1 A 32 32 ASN HA H 24 4.421 4.586 -0.165 1
1 401 . 11 1 1 A 32 32 ASN C C 24 175.044 175.514 -0.470 1
1 402 . 11 1 1 A 32 32 ASN CA C 24 54.362 54.443 -0.081 1
1 403 . 11 1 1 A 32 32 ASN CB C 24 37.804 37.237 0.567 1
1 404 . 11 1 1 A 32 32 ASN N N 24 125.653 120.056 5.597 1
1 406 . 11 1 1 A 33 33 GLY H H 25 8.997 8.687 0.310 1
1 407 . 11 1 1 A 33 33 GLY HA2 H 25 3.581 3.858 -0.277 1
1 408 . 11 1 1 A 33 33 GLY HA3 H 25 4.154 3.859 0.295 1
1 409 . 11 1 1 A 33 33 GLY C C 25 173.215 173.819 -0.604 1
1 410 . 11 1 1 A 33 33 GLY CA C 25 45.930 45.487 0.443 1
1 411 . 11 1 1 A 33 33 GLY N N 25 102.623 104.393 -1.770 1
1 412 . 11 1 1 A 34 34 ILE H H 26 7.955 8.256 -0.301 1
1 413 . 11 1 1 A 34 34 ILE HA H 26 4.771 4.501 0.270 1
1 423 . 11 1 1 A 34 34 ILE C C 26 174.753 173.747 1.006 1
1 424 . 11 1 1 A 34 34 ILE CA C 26 59.201 60.154 -0.953 1
1 425 . 11 1 1 A 34 34 ILE CB C 26 39.393 40.617 -1.224 1
1 429 . 11 1 1 A 34 34 ILE N N 26 122.350 122.529 -0.179 1
1 430 . 11 1 1 A 35 35 LEU H H 27 9.274 9.170 0.104 1
1 431 . 11 1 1 A 35 35 LEU HA H 27 5.441 5.283 0.158 1
1 441 . 11 1 1 A 35 35 LEU C C 27 175.131 175.704 -0.573 1
1 442 . 11 1 1 A 35 35 LEU CA C 27 53.160 53.622 -0.462 1
1 443 . 11 1 1 A 35 35 LEU CB C 27 44.532 44.676 -0.144 1
1 447 . 11 1 1 A 35 35 LEU N N 27 132.013 130.851 1.162 1
1 448 . 11 1 1 A 36 36 SER H H 28 9.668 9.158 0.510 1
1 449 . 11 1 1 A 36 36 SER HA H 28 5.379 5.530 -0.151 1
1 452 . 11 1 1 A 36 36 SER C C 28 171.968 173.752 -1.784 1
1 453 . 11 1 1 A 36 36 SER CA C 28 57.345 55.770 1.575 1
1 454 . 11 1 1 A 36 36 SER CB C 28 66.044 66.213 -0.169 1
1 455 . 11 1 1 A 36 36 SER N N 28 123.682 121.574 2.108 1
1 456 . 11 1 1 A 37 37 TYR H H 29 7.452 8.603 -1.151 1
1 457 . 11 1 1 A 37 37 TYR HA H 29 5.658 5.691 -0.033 1
1 464 . 11 1 1 A 37 37 TYR C C 29 172.731 173.810 -1.079 1
1 465 . 11 1 1 A 37 37 TYR CA C 29 54.632 55.040 -0.408 1
1 466 . 11 1 1 A 37 37 TYR CB C 29 39.599 42.051 -2.452 1
1 471 . 11 1 1 A 37 37 TYR N N 29 115.554 118.673 -3.119 1
1 472 . 11 1 1 A 38 38 TYR H H 30 9.116 9.163 -0.047 1
1 473 . 11 1 1 A 38 38 TYR HA H 30 4.626 4.892 -0.266 1
1 480 . 11 1 1 A 38 38 TYR C C 30 175.771 175.278 0.493 1
1 481 . 11 1 1 A 38 38 TYR CA C 30 56.194 56.728 -0.534 1
1 482 . 11 1 1 A 38 38 TYR CB C 30 43.253 43.392 -0.139 1
1 487 . 11 1 1 A 38 38 TYR N N 30 117.937 118.810 -0.873 1
1 488 . 11 1 1 A 39 39 ASP H H 31 9.474 9.703 -0.229 1
1 489 . 11 1 1 A 39 39 ASP HA H 31 4.624 4.554 0.070 1
1 492 . 11 1 1 A 39 39 ASP C C 31 176.264 175.992 0.272 1
1 493 . 11 1 1 A 39 39 ASP CA C 31 58.144 56.502 1.642 1
1 494 . 11 1 1 A 39 39 ASP CB C 31 40.399 41.655 -1.256 1
1 495 . 11 1 1 A 39 39 ASP N N 31 121.988 122.344 -0.356 1
1 496 . 11 1 1 A 40 40 SER H H 32 7.511 7.927 -0.416 1
1 497 . 11 1 1 A 40 40 SER HA H 32 4.567 4.665 -0.098 1
1 500 . 11 1 1 A 40 40 SER C C 32 173.752 174.145 -0.393 1
1 501 . 11 1 1 A 40 40 SER CA C 32 57.211 57.092 0.119 1
1 502 . 11 1 1 A 40 40 SER CB C 32 65.547 64.956 0.591 1
1 503 . 11 1 1 A 40 40 SER N N 32 107.441 109.026 -1.585 1
1 504 . 11 1 1 A 41 41 GLN H H 33 8.828 8.417 0.411 1
1 505 . 11 1 1 A 41 41 GLN HA H 33 2.511 2.659 -0.148 1
1 512 . 11 1 1 A 41 41 GLN C C 33 177.001 176.259 0.742 1
1 513 . 11 1 1 A 41 41 GLN CA C 33 58.261 58.617 -0.356 1
1 514 . 11 1 1 A 41 41 GLN CB C 33 27.168 28.105 -0.937 1
1 516 . 11 1 1 A 41 41 GLN N N 33 123.170 120.386 2.784 1
1 518 . 11 1 1 A 42 42 ASP H H 34 7.774 7.896 -0.122 1
1 519 . 11 1 1 A 42 42 ASP HA H 34 4.289 4.254 0.035 1
1 522 . 11 1 1 A 42 42 ASP C C 34 176.567 178.176 -1.609 1
1 523 . 11 1 1 A 42 42 ASP CA C 34 55.710 56.289 -0.579 1
1 524 . 11 1 1 A 42 42 ASP CB C 34 40.459 40.826 -0.367 1
1 525 . 11 1 1 A 42 42 ASP N N 34 116.558 119.679 -3.121 1
1 526 . 11 1 1 A 43 43 ASP H H 35 7.388 7.968 -0.580 1
1 527 . 11 1 1 A 43 43 ASP HA H 35 4.755 4.405 0.350 1
1 530 . 11 1 1 A 43 43 ASP C C 35 177.129 178.691 -1.562 1
1 531 . 11 1 1 A 43 43 ASP CA C 35 54.563 56.157 -1.594 1
1 532 . 11 1 1 A 43 43 ASP CB C 35 42.434 41.274 1.160 1
1 533 . 11 1 1 A 43 43 ASP N N 35 117.173 119.288 -2.115 1
1 534 . 11 1 1 A 44 44 VAL H H 36 7.063 7.522 -0.459 1
1 535 . 11 1 1 A 44 44 VAL HA H 36 3.372 2.651 0.721 1
1 543 . 11 1 1 A 44 44 VAL C C 36 178.169 177.741 0.428 1
1 544 . 11 1 1 A 44 44 VAL CA C 36 65.325 65.930 -0.605 1
1 545 . 11 1 1 A 44 44 VAL CB C 36 31.179 30.839 0.340 1
1 548 . 11 1 1 A 44 44 VAL N N 36 121.695 119.218 2.477 1
1 549 . 11 1 1 A 45 45 CYS H H 37 8.133 8.002 0.131 1
1 550 . 11 1 1 A 45 45 CYS HA H 37 4.425 4.134 0.291 1
1 553 . 11 1 1 A 45 45 CYS C C 37 175.083 176.889 -1.806 1
1 554 . 11 1 1 A 45 45 CYS CA C 37 59.202 62.418 -3.216 1
1 555 . 11 1 1 A 45 45 CYS CB C 37 27.101 27.183 -0.082 1
1 556 . 11 1 1 A 45 45 CYS N N 37 115.191 119.690 -4.499 1
1 557 . 11 1 1 A 46 46 LYS H H 38 7.844 7.245 0.599 1
1 558 . 11 1 1 A 46 46 LYS HA H 38 4.428 4.117 0.311 1
1 567 . 11 1 1 A 46 46 LYS C C 38 177.049 177.353 -0.304 1
1 568 . 11 1 1 A 46 46 LYS CA C 38 56.787 56.957 -0.170 1
1 569 . 11 1 1 A 46 46 LYS CB C 38 33.119 32.779 0.340 1
1 573 . 11 1 1 A 46 46 LYS N N 38 121.496 117.557 3.939 1
1 574 . 11 1 1 A 47 47 GLY H H 39 7.759 7.727 0.032 1
1 575 . 11 1 1 A 47 47 GLY HA2 H 39 4.022 4.119 -0.097 1
1 576 . 11 1 1 A 47 47 GLY HA3 H 39 4.542 4.183 0.359 1
1 577 . 11 1 1 A 47 47 GLY C C 39 173.037 173.431 -0.394 1
1 578 . 11 1 1 A 47 47 GLY CA C 39 44.261 44.533 -0.272 1
1 579 . 11 1 1 A 47 47 GLY N N 39 107.270 106.619 0.651 1
1 580 . 11 1 1 A 48 48 SER H H 40 8.478 8.582 -0.104 1
1 581 . 11 1 1 A 48 48 SER HA H 40 3.783 4.190 -0.407 1
1 584 . 11 1 1 A 48 48 SER C C 40 175.221 174.992 0.229 1
1 585 . 11 1 1 A 48 48 SER CA C 40 57.947 58.294 -0.347 1
1 586 . 11 1 1 A 48 48 SER CB C 40 63.811 63.510 0.301 1
1 587 . 11 1 1 A 48 48 SER N N 40 116.121 116.949 -0.828 1
1 588 . 11 1 1 A 49 49 LYS H H 41 8.394 8.553 -0.159 1
1 589 . 11 1 1 A 49 49 LYS HA H 41 4.188 4.260 -0.072 1
1 598 . 11 1 1 A 49 49 LYS C C 41 176.470 176.217 0.253 1
1 599 . 11 1 1 A 49 49 LYS CA C 41 55.331 56.662 -1.331 1
1 600 . 11 1 1 A 49 49 LYS CB C 41 32.293 33.050 -0.757 1
1 604 . 11 1 1 A 49 49 LYS N N 41 120.990 124.441 -3.451 1
1 605 . 11 1 1 A 50 50 GLY H H 42 6.747 6.931 -0.184 1
1 606 . 11 1 1 A 50 50 GLY HA2 H 42 3.531 3.980 -0.449 1
1 607 . 11 1 1 A 50 50 GLY HA3 H 42 3.884 4.060 -0.176 1
1 608 . 11 1 1 A 50 50 GLY C C 42 170.967 171.382 -0.415 1
1 609 . 11 1 1 A 50 50 GLY CA C 42 45.060 45.308 -0.248 1
1 610 . 11 1 1 A 50 50 GLY N N 42 106.048 104.914 1.134 1
1 611 . 11 1 1 A 51 51 SER H H 43 8.158 8.777 -0.619 1
1 612 . 11 1 1 A 51 51 SER HA H 43 5.343 5.290 0.053 1
1 615 . 11 1 1 A 51 51 SER C C 43 172.787 173.077 -0.290 1
1 616 . 11 1 1 A 51 51 SER CA C 43 57.639 57.432 0.207 1
1 617 . 11 1 1 A 51 51 SER CB C 43 65.897 66.813 -0.916 1
1 618 . 11 1 1 A 51 51 SER N N 43 113.080 115.983 -2.903 1
1 619 . 11 1 1 A 52 52 ILE H H 44 9.306 9.433 -0.127 1
1 620 . 11 1 1 A 52 52 ILE HA H 44 4.203 4.742 -0.539 1
1 630 . 11 1 1 A 52 52 ILE C C 44 174.340 174.660 -0.320 1
1 631 . 11 1 1 A 52 52 ILE CA C 44 60.326 60.421 -0.095 1
1 632 . 11 1 1 A 52 52 ILE CB C 44 42.302 39.090 3.212 1
1 636 . 11 1 1 A 52 52 ILE N N 44 123.385 122.856 0.529 1
1 637 . 11 1 1 A 53 53 LYS H H 45 8.495 8.705 -0.210 1
1 638 . 11 1 1 A 53 53 LYS HA H 45 4.444 4.549 -0.105 1
1 647 . 11 1 1 A 53 53 LYS C C 45 176.283 176.348 -0.065 1
1 648 . 11 1 1 A 53 53 LYS CA C 45 56.255 56.141 0.114 1
1 649 . 11 1 1 A 53 53 LYS CB C 45 32.258 32.216 0.042 1
1 653 . 11 1 1 A 53 53 LYS N N 45 127.498 129.114 -1.616 1
1 654 . 11 1 1 A 54 54 MET H H 46 8.190 8.691 -0.501 1
1 655 . 11 1 1 A 54 54 MET HA H 46 4.585 4.152 0.433 1
1 663 . 11 1 1 A 54 54 MET C C 46 178.779 178.080 0.699 1
1 664 . 11 1 1 A 54 54 MET CA C 46 55.549 58.406 -2.857 1
1 665 . 11 1 1 A 54 54 MET CB C 46 29.465 31.557 -2.092 1
1 668 . 11 1 1 A 54 54 MET N N 46 123.817 124.623 -0.806 1
1 669 . 11 1 1 A 55 55 ALA H H 47 8.860 7.785 1.075 1
1 670 . 11 1 1 A 55 55 ALA HA H 47 4.142 4.136 0.006 1
1 674 . 11 1 1 A 55 55 ALA C C 47 178.752 177.870 0.882 1
1 675 . 11 1 1 A 55 55 ALA CA C 47 55.004 54.305 0.699 1
1 676 . 11 1 1 A 55 55 ALA CB C 47 19.312 18.451 0.861 1
1 677 . 11 1 1 A 55 55 ALA N N 47 119.194 120.966 -1.772 1
1 678 . 11 1 1 A 56 56 VAL H H 48 7.127 8.382 -1.255 1
1 679 . 11 1 1 A 56 56 VAL HA H 48 4.592 4.357 0.235 1
1 687 . 11 1 1 A 56 56 VAL C C 48 174.965 174.956 0.009 1
1 688 . 11 1 1 A 56 56 VAL CA C 48 60.038 61.509 -1.471 1
1 689 . 11 1 1 A 56 56 VAL CB C 48 31.878 33.717 -1.839 1
1 692 . 11 1 1 A 56 56 VAL N N 48 105.989 116.489 -10.500 1
1 693 . 11 1 1 A 57 57 CYS H H 49 7.414 7.582 -0.168 1
1 694 . 11 1 1 A 57 57 CYS HA H 49 4.897 5.152 -0.255 1
1 697 . 11 1 1 A 57 57 CYS C C 49 173.836 173.693 0.143 1
1 698 . 11 1 1 A 57 57 CYS CA C 49 58.123 57.243 0.880 1
1 699 . 11 1 1 A 57 57 CYS CB C 49 30.078 29.626 0.452 1
1 700 . 11 1 1 A 57 57 CYS N N 49 119.973 120.151 -0.178 1
1 701 . 11 1 1 A 58 58 GLU H H 50 8.852 9.047 -0.195 1
1 702 . 11 1 1 A 58 58 GLU HA H 50 4.674 4.738 -0.064 1
1 707 . 11 1 1 A 58 58 GLU C C 50 175.085 175.111 -0.026 1
1 708 . 11 1 1 A 58 58 GLU CA C 50 54.809 56.026 -1.217 1
1 709 . 11 1 1 A 58 58 GLU CB C 50 31.856 30.778 1.078 1
1 711 . 11 1 1 A 58 58 GLU N N 50 124.719 124.877 -0.158 1
1 712 . 11 1 1 A 59 59 ILE H H 51 8.731 8.802 -0.071 1
1 713 . 11 1 1 A 59 59 ILE HA H 51 4.625 4.916 -0.291 1
1 723 . 11 1 1 A 59 59 ILE C C 51 175.513 174.470 1.043 1
1 724 . 11 1 1 A 59 59 ILE CA C 51 60.675 60.241 0.434 1
1 725 . 11 1 1 A 59 59 ILE CB C 51 39.717 39.642 0.075 1
1 729 . 11 1 1 A 59 59 ILE N N 51 124.286 125.763 -1.477 1
1 730 . 11 1 1 A 60 60 LYS H H 52 9.212 9.164 0.048 1
1 731 . 11 1 1 A 60 60 LYS HA H 52 4.829 4.713 0.116 1
1 740 . 11 1 1 A 60 60 LYS C C 52 175.594 175.220 0.374 1
1 741 . 11 1 1 A 60 60 LYS CA C 52 54.490 56.052 -1.562 1
1 742 . 11 1 1 A 60 60 LYS CB C 52 34.908 32.921 1.987 1
1 746 . 11 1 1 A 60 60 LYS N N 52 128.004 129.169 -1.165 1
1 747 . 11 1 1 A 61 61 VAL H H 53 8.776 8.665 0.111 1
1 748 . 11 1 1 A 61 61 VAL HA H 53 4.087 4.802 -0.715 1
1 756 . 11 1 1 A 61 61 VAL C C 53 175.262 174.952 0.310 1
1 757 . 11 1 1 A 61 61 VAL CA C 53 62.067 61.513 0.554 1
1 758 . 11 1 1 A 61 61 VAL CB C 53 33.296 34.313 -1.017 1
1 761 . 11 1 1 A 61 61 VAL N N 53 124.000 124.628 -0.628 1
1 762 . 11 1 1 A 62 62 HIS H H 54 7.677 9.115 -1.438 1
1 763 . 11 1 1 A 62 62 HIS HA H 54 4.456 4.760 -0.304 1
1 766 . 11 1 1 A 62 62 HIS C C 54 176.465 175.278 1.187 1
1 767 . 11 1 1 A 62 62 HIS CA C 54 57.986 57.191 0.795 1
1 768 . 11 1 1 A 62 62 HIS CB C 54 32.369 31.039 1.330 1
1 769 . 11 1 1 A 62 62 HIS N N 54 127.177 125.437 1.740 1
1 770 . 11 1 1 A 63 63 SER H H 55 8.552 8.077 0.475 1
1 771 . 11 1 1 A 63 63 SER HA H 55 4.251 4.816 -0.565 1
1 774 . 11 1 1 A 63 63 SER C C 55 174.509 173.804 0.705 1
1 775 . 11 1 1 A 63 63 SER CA C 55 60.312 55.855 4.457 1
1 776 . 11 1 1 A 63 63 SER CB C 55 63.609 65.943 -2.334 1
1 777 . 11 1 1 A 63 63 SER N N 55 120.508 110.004 10.504 1
1 778 . 11 1 1 A 64 64 ALA H H 56 8.807 8.482 0.325 1
1 779 . 11 1 1 A 64 64 ALA HA H 56 4.553 4.369 0.184 1
1 783 . 11 1 1 A 64 64 ALA C C 56 176.763 176.550 0.213 1
1 784 . 11 1 1 A 64 64 ALA CA C 56 53.183 51.625 1.558 1
1 785 . 11 1 1 A 64 64 ALA CB C 56 20.619 17.269 3.350 1
1 786 . 11 1 1 A 64 64 ALA N N 56 124.728 123.812 0.916 1
1 787 . 11 1 1 A 65 65 ASP H H 57 8.762 8.585 0.177 1
1 788 . 11 1 1 A 65 65 ASP HA H 57 4.689 4.592 0.097 1
1 791 . 11 1 1 A 65 65 ASP C C 57 176.322 175.239 1.083 1
1 792 . 11 1 1 A 65 65 ASP CA C 57 52.911 53.090 -0.179 1
1 793 . 11 1 1 A 65 65 ASP CB C 57 41.216 42.633 -1.417 1
1 794 . 11 1 1 A 65 65 ASP N N 57 120.574 121.478 -0.904 1
1 795 . 11 1 1 A 66 66 ASN H H 58 8.457 8.609 -0.152 1
1 796 . 11 1 1 A 66 66 ASN HA H 58 4.580 4.995 -0.415 1
1 801 . 11 1 1 A 66 66 ASN C C 58 174.296 175.410 -1.114 1
1 802 . 11 1 1 A 66 66 ASN CA C 58 54.146 51.592 2.554 1
1 803 . 11 1 1 A 66 66 ASN CB C 58 37.538 39.556 -2.018 1
1 804 . 11 1 1 A 66 66 ASN N N 58 122.233 120.665 1.568 1
1 806 . 11 1 1 A 67 67 THR H H 59 8.411 8.511 -0.100 1
1 807 . 11 1 1 A 67 67 THR HA H 59 4.284 4.002 0.282 1
1 812 . 11 1 1 A 67 67 THR C C 59 175.932 173.538 2.394 1
1 813 . 11 1 1 A 67 67 THR CA C 59 62.159 62.914 -0.755 1
1 814 . 11 1 1 A 67 67 THR CB C 59 70.025 66.432 3.593 1
1 816 . 11 1 1 A 67 67 THR N N 59 104.777 118.458 -13.681 1
1 817 . 11 1 1 A 68 68 ARG H H 60 7.589 7.465 0.124 1
1 818 . 11 1 1 A 68 68 ARG HA H 60 5.044 4.660 0.384 1
1 825 . 11 1 1 A 68 68 ARG C C 60 176.482 174.981 1.501 1
1 826 . 11 1 1 A 68 68 ARG CA C 60 56.516 54.638 1.878 1
1 827 . 11 1 1 A 68 68 ARG CB C 60 34.348 31.563 2.785 1
1 830 . 11 1 1 A 68 68 ARG N N 60 122.336 121.279 1.057 1
1 831 . 11 1 1 A 69 69 MET H H 61 9.018 7.871 1.147 1
1 832 . 11 1 1 A 69 69 MET HA H 61 4.997 5.202 -0.205 1
1 840 . 11 1 1 A 69 69 MET C C 61 172.463 174.601 -2.138 1
1 841 . 11 1 1 A 69 69 MET CA C 61 55.330 53.923 1.407 1
1 842 . 11 1 1 A 69 69 MET CB C 61 37.234 37.253 -0.019 1
1 845 . 11 1 1 A 69 69 MET N N 61 119.640 123.720 -4.080 1
1 846 . 11 1 1 A 70 70 GLU H H 62 8.996 8.752 0.244 1
1 847 . 11 1 1 A 70 70 GLU HA H 62 5.365 4.849 0.516 1
1 852 . 11 1 1 A 70 70 GLU C C 62 173.523 174.370 -0.847 1
1 853 . 11 1 1 A 70 70 GLU CA C 62 54.326 54.921 -0.595 1
1 854 . 11 1 1 A 70 70 GLU CB C 62 33.915 33.544 0.371 1
1 856 . 11 1 1 A 70 70 GLU N N 62 122.200 122.939 -0.739 1
1 857 . 11 1 1 A 71 71 LEU H H 63 8.763 9.290 -0.527 1
1 858 . 11 1 1 A 71 71 LEU HA H 63 5.222 5.262 -0.040 1
1 868 . 11 1 1 A 71 71 LEU C C 63 175.719 174.873 0.846 1
1 869 . 11 1 1 A 71 71 LEU CA C 63 53.222 53.661 -0.439 1
1 870 . 11 1 1 A 71 71 LEU CB C 63 43.781 42.858 0.923 1
1 874 . 11 1 1 A 71 71 LEU N N 63 123.741 127.181 -3.440 1
1 875 . 11 1 1 A 72 72 ILE H H 64 9.006 9.317 -0.311 1
1 876 . 11 1 1 A 72 72 ILE HA H 64 4.316 5.100 -0.784 1
1 886 . 11 1 1 A 72 72 ILE C C 64 175.349 173.607 1.742 1
1 887 . 11 1 1 A 72 72 ILE CA C 64 60.921 60.220 0.701 1
1 888 . 11 1 1 A 72 72 ILE CB C 64 39.919 40.831 -0.912 1
1 892 . 11 1 1 A 72 72 ILE N N 64 123.633 126.627 -2.994 1
1 893 . 11 1 1 A 73 73 ILE H H 65 8.601 9.021 -0.420 1
1 894 . 11 1 1 A 73 73 ILE HA H 65 4.854 4.765 0.089 1
1 904 . 11 1 1 A 73 73 ILE CA C 65 58.440 57.240 1.200 1
1 905 . 11 1 1 A 73 73 ILE CB C 65 39.820 41.290 -1.470 1
1 909 . 11 1 1 A 73 73 ILE N N 65 128.410 129.691 -1.281 1
1 910 . 11 1 1 A 74 74 PRO HA H 66 4.265 4.295 -0.030 1
1 917 . 11 1 1 A 74 74 PRO C C 66 177.170 177.447 -0.277 1
1 918 . 11 1 1 A 74 74 PRO CA C 66 64.500 64.108 0.392 1
1 919 . 11 1 1 A 74 74 PRO CB C 66 31.826 31.466 0.360 1
1 922 . 11 1 1 A 75 75 GLY H H 67 8.704 8.855 -0.151 1
1 923 . 11 1 1 A 75 75 GLY HA2 H 67 3.753 3.959 -0.206 1
1 924 . 11 1 1 A 75 75 GLY HA3 H 67 4.251 3.970 0.281 1
1 925 . 11 1 1 A 75 75 GLY C C 67 174.192 175.181 -0.989 1
1 926 . 11 1 1 A 75 75 GLY CA C 67 45.479 45.577 -0.098 1
1 927 . 11 1 1 A 75 75 GLY N N 67 111.825 112.122 -0.297 1
1 928 . 11 1 1 A 76 76 GLU H H 68 8.258 7.816 0.442 1
1 929 . 11 1 1 A 76 76 GLU HA H 68 4.483 4.554 -0.071 1
1 934 . 11 1 1 A 76 76 GLU C C 68 175.838 177.210 -1.372 1
1 935 . 11 1 1 A 76 76 GLU CA C 68 56.178 57.666 -1.488 1
1 936 . 11 1 1 A 76 76 GLU CB C 68 31.066 31.108 -0.042 1
1 938 . 11 1 1 A 76 76 GLU N N 68 118.446 119.269 -0.823 1
1 939 . 11 1 1 A 77 77 GLN H H 69 8.102 8.362 -0.260 1
1 940 . 11 1 1 A 77 77 GLN HA H 69 4.556 4.560 -0.004 1
1 947 . 11 1 1 A 77 77 GLN C C 69 175.179 175.314 -0.135 1
1 948 . 11 1 1 A 77 77 GLN CA C 69 55.633 56.743 -1.110 1
1 949 . 11 1 1 A 77 77 GLN CB C 69 31.116 28.904 2.212 1
1 951 . 11 1 1 A 77 77 GLN N N 69 117.826 119.190 -1.364 1
1 953 . 11 1 1 A 78 78 HIS H H 70 8.857 8.988 -0.131 1
1 954 . 11 1 1 A 78 78 HIS HA H 70 4.923 4.148 0.775 1
1 957 . 11 1 1 A 78 78 HIS C C 70 173.113 173.714 -0.601 1
1 958 . 11 1 1 A 78 78 HIS CA C 70 54.623 56.664 -2.041 1
1 959 . 11 1 1 A 78 78 HIS CB C 70 30.231 28.281 1.950 1
1 960 . 11 1 1 A 78 78 HIS N N 70 120.752 118.976 1.776 1
1 961 . 11 1 1 A 79 79 PHE H H 71 9.120 7.342 1.778 1
1 962 . 11 1 1 A 79 79 PHE HA H 71 4.797 4.926 -0.129 1
1 967 . 11 1 1 A 79 79 PHE C C 71 174.341 173.698 0.643 1
1 968 . 11 1 1 A 79 79 PHE CA C 71 56.191 56.360 -0.169 1
1 969 . 11 1 1 A 79 79 PHE CB C 71 40.983 40.945 0.038 1
1 970 . 11 1 1 A 79 79 PHE N N 71 124.577 118.283 6.294 1
1 971 . 11 1 1 A 80 80 TYR H H 72 8.883 8.998 -0.115 1
1 972 . 11 1 1 A 80 80 TYR HA H 72 5.142 5.250 -0.108 1
1 979 . 11 1 1 A 80 80 TYR C C 72 175.115 173.883 1.232 1
1 980 . 11 1 1 A 80 80 TYR CA C 72 57.353 56.432 0.921 1
1 981 . 11 1 1 A 80 80 TYR CB C 72 39.753 41.919 -2.166 1
1 986 . 11 1 1 A 80 80 TYR N N 72 124.010 125.268 -1.258 1
1 987 . 11 1 1 A 81 81 MET H H 73 8.824 8.583 0.241 1
1 988 . 11 1 1 A 81 81 MET HA H 73 5.983 5.251 0.732 1
1 996 . 11 1 1 A 81 81 MET C C 73 175.053 174.888 0.165 1
1 997 . 11 1 1 A 81 81 MET CA C 73 54.453 53.781 0.672 1
1 998 . 11 1 1 A 81 81 MET CB C 73 38.584 35.707 2.877 1
1 1001 . 11 1 1 A 81 81 MET N N 73 120.151 124.886 -4.735 1
1 1002 . 11 1 1 A 82 82 LYS H H 74 9.103 9.015 0.088 1
1 1003 . 11 1 1 A 82 82 LYS HA H 74 4.800 4.969 -0.169 1
1 1012 . 11 1 1 A 82 82 LYS C C 74 174.244 176.029 -1.785 1
1 1013 . 11 1 1 A 82 82 LYS CA C 74 55.314 54.910 0.404 1
1 1014 . 11 1 1 A 82 82 LYS CB C 74 36.251 36.183 0.068 1
1 1018 . 11 1 1 A 82 82 LYS N N 74 121.097 123.803 -2.706 1
1 1019 . 11 1 1 A 83 83 ALA H H 75 8.740 8.717 0.023 1
1 1020 . 11 1 1 A 83 83 ALA HA H 75 4.786 4.571 0.215 1
1 1024 . 11 1 1 A 83 83 ALA C C 75 177.126 178.360 -1.234 1
1 1025 . 11 1 1 A 83 83 ALA CA C 75 49.893 51.660 -1.767 1
1 1026 . 11 1 1 A 83 83 ALA CB C 75 21.311 20.035 1.276 1
1 1027 . 11 1 1 A 83 83 ALA N N 75 126.624 128.216 -1.592 1
1 1028 . 11 1 1 A 84 84 VAL H H 76 9.105 8.687 0.418 1
1 1029 . 11 1 1 A 84 84 VAL HA H 76 3.835 3.821 0.014 1
1 1037 . 11 1 1 A 84 84 VAL C C 76 175.635 176.044 -0.409 1
1 1038 . 11 1 1 A 84 84 VAL CA C 76 64.888 65.623 -0.735 1
1 1039 . 11 1 1 A 84 84 VAL CB C 76 32.097 32.054 0.043 1
1 1042 . 11 1 1 A 84 84 VAL N N 76 115.195 119.287 -4.092 1
1 1043 . 11 1 1 A 85 85 ASN H H 77 7.278 7.973 -0.695 1
1 1044 . 11 1 1 A 85 85 ASN HA H 77 4.476 5.022 -0.546 1
1 1049 . 11 1 1 A 85 85 ASN C C 77 174.796 175.389 -0.593 1
1 1050 . 11 1 1 A 85 85 ASN CA C 77 52.193 51.435 0.758 1
1 1051 . 11 1 1 A 85 85 ASN CB C 77 39.702 40.784 -1.082 1
1 1052 . 11 1 1 A 85 85 ASN N N 77 109.430 115.437 -6.007 1
1 1054 . 11 1 1 A 86 86 ALA H H 78 8.681 8.829 -0.148 1
1 1055 . 11 1 1 A 86 86 ALA HA H 78 4.195 4.031 0.164 1
1 1059 . 11 1 1 A 86 86 ALA C C 78 180.157 180.153 0.004 1
1 1060 . 11 1 1 A 86 86 ALA CA C 78 54.919 55.484 -0.565 1
1 1061 . 11 1 1 A 86 86 ALA CB C 78 18.721 18.258 0.463 1
1 1062 . 11 1 1 A 86 86 ALA N N 78 121.886 121.891 -0.005 1
1 1063 . 11 1 1 A 87 87 ALA H H 79 8.386 7.943 0.443 1
1 1064 . 11 1 1 A 87 87 ALA HA H 79 4.200 4.043 0.157 1
1 1068 . 11 1 1 A 87 87 ALA C C 79 181.167 179.791 1.376 1
1 1069 . 11 1 1 A 87 87 ALA CA C 79 55.195 55.239 -0.044 1
1 1070 . 11 1 1 A 87 87 ALA CB C 79 17.663 18.186 -0.523 1
1 1071 . 11 1 1 A 87 87 ALA N N 79 123.939 120.156 3.783 1
1 1072 . 11 1 1 A 88 88 GLU H H 80 8.743 7.775 0.968 1
1 1073 . 11 1 1 A 88 88 GLU HA H 80 4.260 4.077 0.183 1
1 1078 . 11 1 1 A 88 88 GLU C C 80 178.848 179.163 -0.315 1
1 1079 . 11 1 1 A 88 88 GLU CA C 80 59.191 59.528 -0.337 1
1 1080 . 11 1 1 A 88 88 GLU CB C 80 29.898 29.199 0.699 1
1 1082 . 11 1 1 A 88 88 GLU N N 80 119.694 118.038 1.656 1
1 1083 . 11 1 1 A 89 89 ARG H H 81 7.936 8.359 -0.423 1
1 1084 . 11 1 1 A 89 89 ARG HA H 81 3.780 4.079 -0.299 1
1 1087 . 11 1 1 A 89 89 ARG C C 81 177.596 178.903 -1.307 1
1 1088 . 11 1 1 A 89 89 ARG CA C 81 61.042 59.588 1.454 1
1 1089 . 11 1 1 A 89 89 ARG CB C 81 29.630 30.078 -0.448 1
1 1090 . 11 1 1 A 89 89 ARG N N 81 119.080 121.187 -2.107 1
1 1091 . 11 1 1 A 90 90 GLN H H 82 8.063 7.756 0.307 1
1 1092 . 11 1 1 A 90 90 GLN HA H 82 4.039 4.079 -0.040 1
1 1099 . 11 1 1 A 90 90 GLN C C 82 177.419 178.267 -0.848 1
1 1100 . 11 1 1 A 90 90 GLN CA C 82 59.069 59.066 0.003 1
1 1101 . 11 1 1 A 90 90 GLN CB C 82 27.786 28.630 -0.844 1
1 1103 . 11 1 1 A 90 90 GLN N N 82 118.390 118.164 0.226 1
1 1105 . 11 1 1 A 91 91 ARG H H 83 7.700 7.794 -0.094 1
1 1106 . 11 1 1 A 91 91 ARG HA H 83 3.961 3.992 -0.031 1
1 1114 . 11 1 1 A 91 91 ARG C C 83 180.016 179.237 0.779 1
1 1115 . 11 1 1 A 91 91 ARG CA C 83 59.750 59.618 0.132 1
1 1116 . 11 1 1 A 91 91 ARG CB C 83 30.401 29.556 0.845 1
1 1119 . 11 1 1 A 91 91 ARG N N 83 117.912 118.630 -0.718 1
1 1121 . 11 1 1 A 92 92 TRP H H 84 7.895 7.977 -0.082 1
1 1122 . 11 1 1 A 92 92 TRP HA H 84 4.115 4.395 -0.280 1
1 1130 . 11 1 1 A 92 92 TRP C C 84 178.111 179.193 -1.082 1
1 1131 . 11 1 1 A 92 92 TRP CA C 84 61.633 59.464 2.169 1
1 1132 . 11 1 1 A 92 92 TRP CB C 84 29.032 29.554 -0.522 1
1 1137 . 11 1 1 A 92 92 TRP N N 84 119.237 121.090 -1.853 1
1 1139 . 11 1 1 A 93 93 LEU H H 85 8.988 8.646 0.342 1
1 1140 . 11 1 1 A 93 93 LEU HA H 85 3.978 3.957 0.021 1
1 1150 . 11 1 1 A 93 93 LEU C C 85 180.925 179.625 1.300 1
1 1151 . 11 1 1 A 93 93 LEU CA C 85 58.716 57.906 0.810 1
1 1152 . 11 1 1 A 93 93 LEU CB C 85 41.506 41.083 0.423 1
1 1156 . 11 1 1 A 93 93 LEU N N 85 119.853 120.207 -0.354 1
1 1157 . 11 1 1 A 94 94 VAL H H 86 8.233 8.509 -0.276 1
1 1158 . 11 1 1 A 94 94 VAL HA H 86 3.695 3.515 0.180 1
1 1166 . 11 1 1 A 94 94 VAL C C 86 178.733 177.776 0.957 1
1 1167 . 11 1 1 A 94 94 VAL CA C 86 66.250 66.586 -0.336 1
1 1168 . 11 1 1 A 94 94 VAL CB C 86 31.886 31.505 0.381 1
1 1171 . 11 1 1 A 94 94 VAL N N 86 120.164 119.804 0.360 1
1 1172 . 11 1 1 A 95 95 ALA H H 87 7.345 7.741 -0.396 1
1 1173 . 11 1 1 A 95 95 ALA HA H 87 4.113 4.017 0.096 1
1 1177 . 11 1 1 A 95 95 ALA C C 87 180.055 180.256 -0.201 1
1 1178 . 11 1 1 A 95 95 ALA CA C 87 55.410 55.353 0.057 1
1 1179 . 11 1 1 A 95 95 ALA CB C 87 18.816 18.452 0.364 1
1 1180 . 11 1 1 A 95 95 ALA N N 87 123.818 121.653 2.165 1
1 1181 . 11 1 1 A 96 96 LEU H H 88 9.342 8.714 0.628 1
1 1182 . 11 1 1 A 96 96 LEU HA H 88 4.003 3.991 0.012 1
1 1192 . 11 1 1 A 96 96 LEU C C 88 179.349 179.473 -0.124 1
1 1193 . 11 1 1 A 96 96 LEU CA C 88 57.786 58.054 -0.268 1
1 1194 . 11 1 1 A 96 96 LEU CB C 88 41.848 41.787 0.061 1
1 1198 . 11 1 1 A 96 96 LEU N N 88 117.857 118.431 -0.574 1
1 1199 . 11 1 1 A 97 97 GLY H H 89 8.252 8.487 -0.235 1
1 1200 . 11 1 1 A 97 97 GLY HA2 H 89 3.819 3.751 0.068 1
1 1201 . 11 1 1 A 97 97 GLY HA3 H 89 3.948 3.756 0.192 1
1 1202 . 11 1 1 A 97 97 GLY C C 89 176.463 176.088 0.375 1
1 1203 . 11 1 1 A 97 97 GLY CA C 89 46.620 47.396 -0.776 1
1 1204 . 11 1 1 A 97 97 GLY N N 89 105.618 106.745 -1.127 1
1 1205 . 11 1 1 A 98 98 SER H H 90 8.068 8.000 0.068 1
1 1206 . 11 1 1 A 98 98 SER HA H 90 4.377 4.141 0.236 1
1 1209 . 11 1 1 A 98 98 SER C C 90 176.144 177.089 -0.945 1
1 1210 . 11 1 1 A 98 98 SER CA C 90 60.842 61.365 -0.523 1
1 1211 . 11 1 1 A 98 98 SER CB C 90 63.116 62.825 0.291 1
1 1212 . 11 1 1 A 98 98 SER N N 90 117.602 117.166 0.436 1
1 1213 . 11 1 1 A 99 99 SER H H 91 8.036 7.777 0.259 1
1 1214 . 11 1 1 A 99 99 SER HA H 91 4.324 4.248 0.076 1
1 1217 . 11 1 1 A 99 99 SER C C 91 175.818 175.939 -0.121 1
1 1218 . 11 1 1 A 99 99 SER CA C 91 60.720 61.627 -0.907 1
1 1219 . 11 1 1 A 99 99 SER CB C 91 63.831 62.898 0.933 1
1 1220 . 11 1 1 A 99 99 SER N N 91 116.877 117.201 -0.324 1
1 1221 . 11 1 1 A 100 100 LYS H H 92 7.838 7.920 -0.082 1
1 1222 . 11 1 1 A 100 100 LYS HA H 92 4.068 4.016 0.052 1
1 1231 . 11 1 1 A 100 100 LYS C C 92 177.235 177.949 -0.714 1
1 1232 . 11 1 1 A 100 100 LYS CA C 92 58.121 58.808 -0.687 1
1 1233 . 11 1 1 A 100 100 LYS CB C 92 32.263 32.110 0.153 1
1 1237 . 11 1 1 A 100 100 LYS N N 92 119.456 120.912 -1.456 1
1 1238 . 11 1 1 A 101 101 ALA H H 93 7.924 7.953 -0.029 1
1 1239 . 11 1 1 A 101 101 ALA HA H 93 4.321 4.172 0.149 1
1 1243 . 11 1 1 A 101 101 ALA C C 93 178.323 178.456 -0.133 1
1 1244 . 11 1 1 A 101 101 ALA CA C 93 53.435 53.287 0.148 1
1 1245 . 11 1 1 A 101 101 ALA CB C 93 18.969 18.523 0.446 1
1 1246 . 11 1 1 A 101 101 ALA N N 93 122.054 121.614 0.440 1
1 1247 . 11 1 1 A 102 102 SER H H 94 8.061 8.867 -0.806 1
1 1248 . 11 1 1 A 102 102 SER HA H 94 4.451 4.143 0.308 1
1 1251 . 11 1 1 A 102 102 SER C C 94 174.773 173.625 1.148 1
1 1252 . 11 1 1 A 102 102 SER CA C 94 59.086 59.058 0.028 1
1 1253 . 11 1 1 A 102 102 SER CB C 94 63.766 60.849 2.917 1
1 1254 . 11 1 1 A 102 102 SER N N 94 114.102 118.310 -4.208 1
1 1255 . 11 1 1 A 103 103 LEU H H 95 8.053 7.361 0.692 1
1 1256 . 11 1 1 A 103 103 LEU HA H 95 4.507 4.732 -0.225 1
1 1266 . 11 1 1 A 103 103 LEU C C 95 177.589 176.116 1.473 1
1 1267 . 11 1 1 A 103 103 LEU CA C 95 55.398 53.603 1.795 1
1 1268 . 11 1 1 A 103 103 LEU CB C 95 42.435 44.688 -2.253 1
1 1272 . 11 1 1 A 103 103 LEU N N 95 123.264 123.086 0.178 1
1 1273 . 11 1 1 A 104 104 THR H H 96 8.045 8.663 -0.618 1
1 1274 . 11 1 1 A 104 104 THR HA H 96 4.383 4.286 0.097 1
1 1279 . 11 1 1 A 104 104 THR C C 96 174.128 172.564 1.564 1
1 1280 . 11 1 1 A 104 104 THR CA C 96 61.982 62.019 -0.037 1
1 1281 . 11 1 1 A 104 104 THR CB C 96 69.938 68.724 1.214 1
1 1283 . 11 1 1 A 104 104 THR N N 96 113.833 121.037 -7.204 1
1 1284 . 11 1 1 A 105 105 ASP H H 97 8.346 8.605 -0.259 1
1 1285 . 11 1 1 A 105 105 ASP HA H 97 4.740 5.081 -0.341 1
1 1288 . 11 1 1 A 105 105 ASP C C 97 176.310 176.395 -0.085 1
1 1289 . 11 1 1 A 105 105 ASP CA C 97 54.300 52.573 1.727 1
1 1290 . 11 1 1 A 105 105 ASP CB C 97 41.174 44.032 -2.858 1
1 1291 . 11 1 1 A 105 105 ASP N N 97 123.107 120.788 2.319 1
1 1292 . 11 1 1 A 106 106 THR H H 98 8.147 8.786 -0.639 1
1 1293 . 11 1 1 A 106 106 THR HA H 98 4.355 4.071 0.284 1
1 1298 . 11 1 1 A 106 106 THR C C 98 174.523 173.724 0.799 1
1 1299 . 11 1 1 A 106 106 THR CA C 98 61.937 62.997 -1.060 1
1 1300 . 11 1 1 A 106 106 THR CB C 98 69.656 66.604 3.052 1
1 1302 . 11 1 1 A 106 106 THR N N 98 114.857 116.024 -1.167 1
1 1303 . 11 1 1 A 107 107 ARG H H 99 8.385 8.024 0.361 1
1 1304 . 11 1 1 A 107 107 ARG HA H 99 4.442 4.618 -0.176 1
1 1312 . 11 1 1 A 107 107 ARG C C 99 175.764 174.965 0.799 1
1 1313 . 11 1 1 A 107 107 ARG CA C 99 56.311 55.454 0.857 1
1 1314 . 11 1 1 A 107 107 ARG CB C 99 30.745 32.430 -1.685 1
1 1317 . 11 1 1 A 107 107 ARG N N 99 123.999 121.106 2.893 1
1 1 . 12 1 1 A 2 2 PRO HA H -6 4.460 4.740 -0.280 1
1 8 . 12 1 1 A 2 2 PRO C C -6 176.875 175.802 1.073 1
1 9 . 12 1 1 A 2 2 PRO CA C -6 63.159 62.556 0.603 1
1 10 . 12 1 1 A 2 2 PRO CB C -6 32.292 30.452 1.840 1
1 13 . 12 1 1 A 3 3 LEU H H -5 8.483 8.678 -0.195 1
1 14 . 12 1 1 A 3 3 LEU HA H -5 4.334 4.700 -0.366 1
1 24 . 12 1 1 A 3 3 LEU C C -5 177.797 177.529 0.268 1
1 25 . 12 1 1 A 3 3 LEU CA C -5 55.474 54.113 1.361 1
1 26 . 12 1 1 A 3 3 LEU CB C -5 42.239 43.251 -1.012 1
1 30 . 12 1 1 A 3 3 LEU N N -5 122.315 124.673 -2.358 1
1 31 . 12 1 1 A 4 4 GLY H H -4 8.393 8.827 -0.434 1
1 32 . 12 1 1 A 4 4 GLY HA2 H -4 3.978 3.982 -0.004 1
1 33 . 12 1 1 A 4 4 GLY HA3 H -4 3.978 3.983 -0.005 1
1 34 . 12 1 1 A 4 4 GLY C C -4 173.730 174.112 -0.382 1
1 35 . 12 1 1 A 4 4 GLY CA C -4 45.158 45.799 -0.641 1
1 36 . 12 1 1 A 4 4 GLY N N -4 109.911 112.968 -3.057 1
1 37 . 12 1 1 A 5 5 SER H H -3 8.162 8.026 0.136 1
1 38 . 12 1 1 A 5 5 SER HA H -3 4.764 4.705 0.059 1
1 41 . 12 1 1 A 5 5 SER CA C -3 56.323 55.766 0.557 1
1 42 . 12 1 1 A 5 5 SER CB C -3 63.515 64.112 -0.597 1
1 43 . 12 1 1 A 5 5 SER N N -3 116.873 117.129 -0.256 1
1 44 . 12 1 1 A 6 6 PRO HA H -2 4.399 4.578 -0.179 1
1 47 . 12 1 1 A 6 6 PRO C C -2 176.587 177.091 -0.504 1
1 48 . 12 1 1 A 6 6 PRO CA C -2 63.552 62.761 0.791 1
1 49 . 12 1 1 A 6 6 PRO CB C -2 31.997 32.349 -0.352 1
1 50 . 12 1 1 A 7 7 GLU H H -1 8.364 8.426 -0.062 1
1 51 . 12 1 1 A 7 7 GLU HA H -1 4.285 4.580 -0.295 1
1 56 . 12 1 1 A 7 7 GLU C C -1 174.954 175.517 -0.563 1
1 57 . 12 1 1 A 7 7 GLU CA C -1 56.486 56.870 -0.384 1
1 58 . 12 1 1 A 7 7 GLU CB C -1 29.924 30.197 -0.273 1
1 60 . 12 1 1 A 7 7 GLU N N -1 119.665 122.120 -2.455 1
1 61 . 12 1 1 A 8 8 PHE H H 0 7.872 8.802 -0.930 1
1 62 . 12 1 1 A 8 8 PHE HA H 0 5.204 5.380 -0.176 1
1 67 . 12 1 1 A 8 8 PHE C C 0 174.670 173.841 0.829 1
1 68 . 12 1 1 A 8 8 PHE CA C 0 56.861 56.106 0.755 1
1 69 . 12 1 1 A 8 8 PHE CB C 0 41.874 42.142 -0.268 1
1 72 . 12 1 1 A 8 8 PHE N N 0 122.497 125.268 -2.771 1
1 73 . 12 1 1 A 9 9 MET H H 1 7.833 8.550 -0.717 1
1 74 . 12 1 1 A 9 9 MET HA H 1 4.095 4.647 -0.552 1
1 82 . 12 1 1 A 9 9 MET C C 1 171.191 173.855 -2.664 1
1 83 . 12 1 1 A 9 9 MET CA C 1 54.613 53.828 0.785 1
1 84 . 12 1 1 A 9 9 MET CB C 1 34.867 35.471 -0.604 1
1 87 . 12 1 1 A 9 9 MET N N 1 127.163 127.790 -0.627 1
1 88 . 12 1 1 A 10 10 GLU H H 2 7.698 8.552 -0.854 1
1 89 . 12 1 1 A 10 10 GLU HA H 2 5.603 5.065 0.538 1
1 94 . 12 1 1 A 10 10 GLU C C 2 174.743 174.217 0.526 1
1 95 . 12 1 1 A 10 10 GLU CA C 2 53.345 54.191 -0.846 1
1 96 . 12 1 1 A 10 10 GLU CB C 2 32.408 33.668 -1.260 1
1 98 . 12 1 1 A 10 10 GLU N N 2 118.654 122.245 -3.591 1
1 99 . 12 1 1 A 11 11 GLY H H 3 7.994 7.062 0.932 1
1 100 . 12 1 1 A 11 11 GLY HA2 H 3 3.115 3.401 -0.286 1
1 101 . 12 1 1 A 11 11 GLY HA3 H 3 4.377 4.021 0.356 1
1 102 . 12 1 1 A 11 11 GLY C C 3 170.878 172.022 -1.144 1
1 103 . 12 1 1 A 11 11 GLY CA C 3 45.086 43.876 1.210 1
1 104 . 12 1 1 A 11 11 GLY N N 3 108.296 106.212 2.084 1
1 105 . 12 1 1 A 12 12 VAL H H 4 8.463 8.403 0.060 1
1 106 . 12 1 1 A 12 12 VAL HA H 4 4.969 5.585 -0.616 1
1 114 . 12 1 1 A 12 12 VAL C C 4 177.805 174.486 3.319 1
1 115 . 12 1 1 A 12 12 VAL CA C 4 62.373 59.712 2.661 1
1 116 . 12 1 1 A 12 12 VAL CB C 4 33.152 34.272 -1.120 1
1 119 . 12 1 1 A 12 12 VAL N N 4 119.624 115.083 4.541 1
1 120 . 12 1 1 A 13 13 LEU H H 5 8.647 9.268 -0.621 1
1 121 . 12 1 1 A 13 13 LEU HA H 5 4.382 5.256 -0.874 1
1 131 . 12 1 1 A 13 13 LEU C C 5 175.407 176.193 -0.786 1
1 132 . 12 1 1 A 13 13 LEU CA C 5 54.139 53.623 0.516 1
1 133 . 12 1 1 A 13 13 LEU CB C 5 46.374 45.416 0.958 1
1 137 . 12 1 1 A 13 13 LEU N N 5 125.806 123.590 2.216 1
1 138 . 12 1 1 A 14 14 TYR H H 6 9.007 9.235 -0.228 1
1 139 . 12 1 1 A 14 14 TYR HA H 6 5.026 5.263 -0.237 1
1 144 . 12 1 1 A 14 14 TYR C C 6 175.047 175.285 -0.238 1
1 145 . 12 1 1 A 14 14 TYR CA C 6 57.484 58.779 -1.295 1
1 146 . 12 1 1 A 14 14 TYR CB C 6 39.400 37.942 1.458 1
1 147 . 12 1 1 A 14 14 TYR N N 6 118.975 122.270 -3.295 1
1 148 . 12 1 1 A 15 15 LYS H H 7 9.549 9.086 0.463 1
1 149 . 12 1 1 A 15 15 LYS HA H 7 5.467 5.131 0.336 1
1 158 . 12 1 1 A 15 15 LYS C C 7 175.772 176.477 -0.705 1
1 159 . 12 1 1 A 15 15 LYS CA C 7 54.136 55.089 -0.953 1
1 160 . 12 1 1 A 15 15 LYS CB C 7 37.043 34.152 2.891 1
1 164 . 12 1 1 A 15 15 LYS N N 7 123.867 126.712 -2.845 1
1 165 . 12 1 1 A 16 16 TRP H H 8 8.355 9.151 -0.796 1
1 166 . 12 1 1 A 16 16 TRP HA H 8 3.893 4.954 -1.061 1
1 175 . 12 1 1 A 16 16 TRP C C 8 176.038 176.392 -0.354 1
1 176 . 12 1 1 A 16 16 TRP CA C 8 57.880 58.275 -0.395 1
1 177 . 12 1 1 A 16 16 TRP CB C 8 29.347 30.398 -1.051 1
1 183 . 12 1 1 A 16 16 TRP N N 8 129.111 129.476 -0.365 1
1 185 . 12 1 1 A 17 17 THR H H 9 6.754 8.168 -1.414 1
1 186 . 12 1 1 A 17 17 THR HA H 9 4.127 4.453 -0.326 1
1 191 . 12 1 1 A 17 17 THR C C 9 172.153 174.677 -2.524 1
1 192 . 12 1 1 A 17 17 THR CA C 9 61.413 61.974 -0.561 1
1 193 . 12 1 1 A 17 17 THR CB C 9 69.317 69.557 -0.240 1
1 195 . 12 1 1 A 17 17 THR N N 9 121.030 118.000 3.030 1
1 196 . 12 1 1 A 18 18 ASN H H 10 7.418 6.854 0.564 1
1 197 . 12 1 1 A 18 18 ASN HA H 10 4.051 5.165 -1.114 1
1 202 . 12 1 1 A 18 18 ASN C C 10 174.308 175.113 -0.805 1
1 203 . 12 1 1 A 18 18 ASN CA C 10 52.089 51.340 0.749 1
1 204 . 12 1 1 A 18 18 ASN CB C 10 39.339 42.413 -3.074 1
1 205 . 12 1 1 A 18 18 ASN N N 10 115.655 116.885 -1.230 1
1 207 . 12 1 1 A 19 19 TYR H H 11 8.348 9.348 -1.000 1
1 208 . 12 1 1 A 19 19 TYR HA H 11 4.284 4.542 -0.258 1
1 215 . 12 1 1 A 19 19 TYR C C 11 175.974 177.290 -1.316 1
1 216 . 12 1 1 A 19 19 TYR CA C 11 60.774 60.792 -0.018 1
1 217 . 12 1 1 A 19 19 TYR CB C 11 37.815 37.901 -0.086 1
1 222 . 12 1 1 A 19 19 TYR N N 11 115.508 121.031 -5.523 1
1 223 . 12 1 1 A 20 20 LEU H H 12 7.827 7.596 0.231 1
1 224 . 12 1 1 A 20 20 LEU HA H 12 4.091 3.858 0.233 1
1 234 . 12 1 1 A 20 20 LEU C C 12 178.711 179.162 -0.451 1
1 235 . 12 1 1 A 20 20 LEU CA C 12 56.966 57.519 -0.553 1
1 236 . 12 1 1 A 20 20 LEU CB C 12 41.922 41.537 0.385 1
1 240 . 12 1 1 A 20 20 LEU N N 12 120.867 122.257 -1.390 1
1 241 . 12 1 1 A 21 21 THR H H 13 7.651 7.612 0.039 1
1 242 . 12 1 1 A 21 21 THR HA H 13 4.162 4.215 -0.053 1
1 247 . 12 1 1 A 21 21 THR C C 13 175.842 174.193 1.649 1
1 248 . 12 1 1 A 21 21 THR CA C 13 62.159 62.463 -0.304 1
1 249 . 12 1 1 A 21 21 THR CB C 13 69.191 70.276 -1.085 1
1 251 . 12 1 1 A 21 21 THR N N 13 108.304 107.517 0.787 1
1 252 . 12 1 1 A 22 22 GLY H H 14 7.679 7.843 -0.164 1
1 253 . 12 1 1 A 22 22 GLY HA2 H 14 2.802 3.568 -0.766 1
1 254 . 12 1 1 A 22 22 GLY HA3 H 14 3.715 3.913 -0.198 1
1 255 . 12 1 1 A 22 22 GLY C C 14 175.108 173.310 1.798 1
1 256 . 12 1 1 A 22 22 GLY CA C 14 46.131 46.088 0.043 1
1 257 . 12 1 1 A 22 22 GLY N N 14 109.901 110.139 -0.238 1
1 258 . 12 1 1 A 23 23 TRP H H 15 8.817 8.201 0.616 1
1 259 . 12 1 1 A 23 23 TRP HA H 15 4.724 5.652 -0.928 1
1 268 . 12 1 1 A 23 23 TRP C C 15 176.569 174.677 1.892 1
1 269 . 12 1 1 A 23 23 TRP CA C 15 56.897 54.938 1.959 1
1 270 . 12 1 1 A 23 23 TRP CB C 15 29.825 32.952 -3.127 1
1 275 . 12 1 1 A 23 23 TRP N N 15 126.927 121.258 5.669 1
1 277 . 12 1 1 A 24 24 GLN H H 16 8.931 9.271 -0.340 1
1 278 . 12 1 1 A 24 24 GLN HA H 16 5.186 4.356 0.830 1
1 285 . 12 1 1 A 24 24 GLN CA C 16 52.369 51.794 0.575 1
1 286 . 12 1 1 A 24 24 GLN CB C 16 31.536 30.542 0.994 1
1 288 . 12 1 1 A 24 24 GLN N N 16 122.710 119.838 2.872 1
1 290 . 12 1 1 A 25 25 PRO HA H 17 4.206 4.980 -0.774 1
1 297 . 12 1 1 A 25 25 PRO C C 17 176.918 175.963 0.955 1
1 298 . 12 1 1 A 25 25 PRO CA C 17 62.894 63.038 -0.144 1
1 299 . 12 1 1 A 25 25 PRO CB C 17 31.444 31.616 -0.172 1
1 302 . 12 1 1 A 26 26 ARG H H 18 9.041 8.880 0.161 1
1 303 . 12 1 1 A 26 26 ARG HA H 18 4.857 5.037 -0.180 1
1 310 . 12 1 1 A 26 26 ARG C C 18 173.102 174.649 -1.547 1
1 311 . 12 1 1 A 26 26 ARG CA C 18 53.273 54.913 -1.640 1
1 312 . 12 1 1 A 26 26 ARG CB C 18 34.254 33.642 0.612 1
1 315 . 12 1 1 A 26 26 ARG N N 18 123.602 124.044 -0.442 1
1 316 . 12 1 1 A 27 27 TRP H H 19 8.375 8.545 -0.170 1
1 317 . 12 1 1 A 27 27 TRP HA H 19 5.077 5.471 -0.394 1
1 326 . 12 1 1 A 27 27 TRP C C 19 174.728 174.948 -0.220 1
1 327 . 12 1 1 A 27 27 TRP CA C 19 56.157 56.739 -0.582 1
1 328 . 12 1 1 A 27 27 TRP CB C 19 31.116 31.704 -0.588 1
1 334 . 12 1 1 A 27 27 TRP N N 19 121.669 125.249 -3.580 1
1 336 . 12 1 1 A 28 28 PHE H H 20 9.016 9.478 -0.462 1
1 337 . 12 1 1 A 28 28 PHE HA H 20 5.385 5.526 -0.141 1
1 345 . 12 1 1 A 28 28 PHE C C 20 174.685 174.565 0.120 1
1 346 . 12 1 1 A 28 28 PHE CA C 20 56.699 56.683 0.016 1
1 347 . 12 1 1 A 28 28 PHE CB C 20 43.155 42.639 0.516 1
1 353 . 12 1 1 A 28 28 PHE N N 20 128.520 126.090 2.430 1
1 354 . 12 1 1 A 29 29 VAL H H 21 9.058 9.309 -0.251 1
1 355 . 12 1 1 A 29 29 VAL HA H 21 4.681 5.056 -0.375 1
1 363 . 12 1 1 A 29 29 VAL C C 21 174.804 173.970 0.834 1
1 364 . 12 1 1 A 29 29 VAL CA C 21 61.719 59.848 1.871 1
1 365 . 12 1 1 A 29 29 VAL CB C 21 36.416 35.994 0.422 1
1 368 . 12 1 1 A 29 29 VAL N N 21 117.562 116.305 1.257 1
1 369 . 12 1 1 A 30 30 LEU H H 22 9.543 8.811 0.732 1
1 370 . 12 1 1 A 30 30 LEU HA H 22 5.311 5.211 0.100 1
1 380 . 12 1 1 A 30 30 LEU C C 22 173.506 175.008 -1.502 1
1 381 . 12 1 1 A 30 30 LEU CA C 22 53.213 53.953 -0.740 1
1 382 . 12 1 1 A 30 30 LEU CB C 22 44.939 44.158 0.781 1
1 386 . 12 1 1 A 30 30 LEU N N 22 131.939 127.441 4.498 1
1 387 . 12 1 1 A 31 31 ASP H H 23 8.513 9.431 -0.918 1
1 388 . 12 1 1 A 31 31 ASP HA H 23 5.151 5.055 0.096 1
1 391 . 12 1 1 A 31 31 ASP C C 23 176.940 174.986 1.954 1
1 392 . 12 1 1 A 31 31 ASP CA C 23 53.671 53.781 -0.110 1
1 393 . 12 1 1 A 31 31 ASP CB C 23 43.770 43.355 0.415 1
1 394 . 12 1 1 A 31 31 ASP N N 23 121.978 125.228 -3.250 1
1 395 . 12 1 1 A 32 32 ASN H H 24 9.280 9.498 -0.218 1
1 396 . 12 1 1 A 32 32 ASN HA H 24 4.421 4.555 -0.134 1
1 401 . 12 1 1 A 32 32 ASN C C 24 175.044 175.450 -0.406 1
1 402 . 12 1 1 A 32 32 ASN CA C 24 54.362 54.429 -0.067 1
1 403 . 12 1 1 A 32 32 ASN CB C 24 37.804 37.364 0.440 1
1 404 . 12 1 1 A 32 32 ASN N N 24 125.653 126.043 -0.390 1
1 406 . 12 1 1 A 33 33 GLY H H 25 8.997 8.601 0.396 1
1 407 . 12 1 1 A 33 33 GLY HA2 H 25 3.581 3.820 -0.239 1
1 408 . 12 1 1 A 33 33 GLY HA3 H 25 4.154 3.823 0.331 1
1 409 . 12 1 1 A 33 33 GLY C C 25 173.215 173.739 -0.524 1
1 410 . 12 1 1 A 33 33 GLY CA C 25 45.930 45.476 0.454 1
1 411 . 12 1 1 A 33 33 GLY N N 25 102.623 104.754 -2.131 1
1 412 . 12 1 1 A 34 34 ILE H H 26 7.955 8.167 -0.212 1
1 413 . 12 1 1 A 34 34 ILE HA H 26 4.771 4.368 0.403 1
1 423 . 12 1 1 A 34 34 ILE C C 26 174.753 174.105 0.648 1
1 424 . 12 1 1 A 34 34 ILE CA C 26 59.201 60.520 -1.319 1
1 425 . 12 1 1 A 34 34 ILE CB C 26 39.393 40.507 -1.114 1
1 429 . 12 1 1 A 34 34 ILE N N 26 122.350 122.975 -0.625 1
1 430 . 12 1 1 A 35 35 LEU H H 27 9.274 9.491 -0.217 1
1 431 . 12 1 1 A 35 35 LEU HA H 27 5.441 5.229 0.212 1
1 441 . 12 1 1 A 35 35 LEU C C 27 175.131 174.964 0.167 1
1 442 . 12 1 1 A 35 35 LEU CA C 27 53.160 53.664 -0.504 1
1 443 . 12 1 1 A 35 35 LEU CB C 27 44.532 44.417 0.115 1
1 447 . 12 1 1 A 35 35 LEU N N 27 132.013 130.702 1.311 1
1 448 . 12 1 1 A 36 36 SER H H 28 9.668 9.443 0.225 1
1 449 . 12 1 1 A 36 36 SER HA H 28 5.379 5.247 0.132 1
1 452 . 12 1 1 A 36 36 SER C C 28 171.968 173.469 -1.501 1
1 453 . 12 1 1 A 36 36 SER CA C 28 57.345 57.604 -0.259 1
1 454 . 12 1 1 A 36 36 SER CB C 28 66.044 64.901 1.143 1
1 455 . 12 1 1 A 36 36 SER N N 28 123.682 124.874 -1.192 1
1 456 . 12 1 1 A 37 37 TYR H H 29 7.452 8.464 -1.012 1
1 457 . 12 1 1 A 37 37 TYR HA H 29 5.658 5.520 0.138 1
1 464 . 12 1 1 A 37 37 TYR C C 29 172.731 173.324 -0.593 1
1 465 . 12 1 1 A 37 37 TYR CA C 29 54.632 54.675 -0.043 1
1 466 . 12 1 1 A 37 37 TYR CB C 29 39.599 41.621 -2.022 1
1 471 . 12 1 1 A 37 37 TYR N N 29 115.554 120.765 -5.211 1
1 472 . 12 1 1 A 38 38 TYR H H 30 9.116 9.005 0.111 1
1 473 . 12 1 1 A 38 38 TYR HA H 30 4.626 4.800 -0.174 1
1 480 . 12 1 1 A 38 38 TYR C C 30 175.771 175.135 0.636 1
1 481 . 12 1 1 A 38 38 TYR CA C 30 56.194 56.757 -0.563 1
1 482 . 12 1 1 A 38 38 TYR CB C 30 43.253 43.093 0.160 1
1 487 . 12 1 1 A 38 38 TYR N N 30 117.937 118.718 -0.781 1
1 488 . 12 1 1 A 39 39 ASP H H 31 9.474 9.418 0.056 1
1 489 . 12 1 1 A 39 39 ASP HA H 31 4.624 4.525 0.099 1
1 492 . 12 1 1 A 39 39 ASP C C 31 176.264 175.889 0.375 1
1 493 . 12 1 1 A 39 39 ASP CA C 31 58.144 56.732 1.412 1
1 494 . 12 1 1 A 39 39 ASP CB C 31 40.399 41.499 -1.100 1
1 495 . 12 1 1 A 39 39 ASP N N 31 121.988 122.440 -0.452 1
1 496 . 12 1 1 A 40 40 SER H H 32 7.511 7.926 -0.415 1
1 497 . 12 1 1 A 40 40 SER HA H 32 4.567 4.720 -0.153 1
1 500 . 12 1 1 A 40 40 SER C C 32 173.752 174.170 -0.418 1
1 501 . 12 1 1 A 40 40 SER CA C 32 57.211 57.056 0.155 1
1 502 . 12 1 1 A 40 40 SER CB C 32 65.547 64.989 0.558 1
1 503 . 12 1 1 A 40 40 SER N N 32 107.441 108.483 -1.042 1
1 504 . 12 1 1 A 41 41 GLN H H 33 8.828 8.392 0.436 1
1 505 . 12 1 1 A 41 41 GLN HA H 33 2.511 2.943 -0.432 1
1 512 . 12 1 1 A 41 41 GLN C C 33 177.001 176.281 0.720 1
1 513 . 12 1 1 A 41 41 GLN CA C 33 58.261 58.687 -0.426 1
1 514 . 12 1 1 A 41 41 GLN CB C 33 27.168 28.026 -0.858 1
1 516 . 12 1 1 A 41 41 GLN N N 33 123.170 120.121 3.049 1
1 518 . 12 1 1 A 42 42 ASP H H 34 7.774 8.103 -0.329 1
1 519 . 12 1 1 A 42 42 ASP HA H 34 4.289 4.206 0.083 1
1 522 . 12 1 1 A 42 42 ASP C C 34 176.567 177.745 -1.178 1
1 523 . 12 1 1 A 42 42 ASP CA C 34 55.710 57.399 -1.689 1
1 524 . 12 1 1 A 42 42 ASP CB C 34 40.459 41.392 -0.933 1
1 525 . 12 1 1 A 42 42 ASP N N 34 116.558 119.549 -2.991 1
1 526 . 12 1 1 A 43 43 ASP H H 35 7.388 7.914 -0.526 1
1 527 . 12 1 1 A 43 43 ASP HA H 35 4.755 4.299 0.456 1
1 530 . 12 1 1 A 43 43 ASP C C 35 177.129 178.478 -1.349 1
1 531 . 12 1 1 A 43 43 ASP CA C 35 54.563 56.189 -1.626 1
1 532 . 12 1 1 A 43 43 ASP CB C 35 42.434 40.962 1.472 1
1 533 . 12 1 1 A 43 43 ASP N N 35 117.173 119.640 -2.467 1
1 534 . 12 1 1 A 44 44 VAL H H 36 7.063 7.431 -0.368 1
1 535 . 12 1 1 A 44 44 VAL HA H 36 3.372 1.902 1.470 1
1 543 . 12 1 1 A 44 44 VAL C C 36 178.169 177.799 0.370 1
1 544 . 12 1 1 A 44 44 VAL CA C 36 65.325 65.674 -0.349 1
1 545 . 12 1 1 A 44 44 VAL CB C 36 31.179 30.940 0.239 1
1 548 . 12 1 1 A 44 44 VAL N N 36 121.695 119.186 2.509 1
1 549 . 12 1 1 A 45 45 CYS H H 37 8.133 7.712 0.421 1
1 550 . 12 1 1 A 45 45 CYS HA H 37 4.425 4.082 0.343 1
1 553 . 12 1 1 A 45 45 CYS C C 37 175.083 176.919 -1.836 1
1 554 . 12 1 1 A 45 45 CYS CA C 37 59.202 62.043 -2.841 1
1 555 . 12 1 1 A 45 45 CYS CB C 37 27.101 27.079 0.022 1
1 556 . 12 1 1 A 45 45 CYS N N 37 115.191 119.407 -4.216 1
1 557 . 12 1 1 A 46 46 LYS H H 38 7.844 7.598 0.246 1
1 558 . 12 1 1 A 46 46 LYS HA H 38 4.428 3.974 0.454 1
1 567 . 12 1 1 A 46 46 LYS C C 38 177.049 177.297 -0.248 1
1 568 . 12 1 1 A 46 46 LYS CA C 38 56.787 57.542 -0.755 1
1 569 . 12 1 1 A 46 46 LYS CB C 38 33.119 32.796 0.323 1
1 573 . 12 1 1 A 46 46 LYS N N 38 121.496 117.601 3.895 1
1 574 . 12 1 1 A 47 47 GLY H H 39 7.759 7.468 0.291 1
1 575 . 12 1 1 A 47 47 GLY HA2 H 39 4.022 3.969 0.053 1
1 576 . 12 1 1 A 47 47 GLY HA3 H 39 4.542 4.015 0.527 1
1 577 . 12 1 1 A 47 47 GLY C C 39 173.037 175.040 -2.003 1
1 578 . 12 1 1 A 47 47 GLY CA C 39 44.261 46.557 -2.296 1
1 579 . 12 1 1 A 47 47 GLY N N 39 107.270 107.259 0.011 1
1 580 . 12 1 1 A 48 48 SER H H 40 8.478 8.761 -0.283 1
1 581 . 12 1 1 A 48 48 SER HA H 40 3.783 4.435 -0.652 1
1 584 . 12 1 1 A 48 48 SER C C 40 175.221 174.674 0.547 1
1 585 . 12 1 1 A 48 48 SER CA C 40 57.947 59.203 -1.256 1
1 586 . 12 1 1 A 48 48 SER CB C 40 63.811 63.636 0.175 1
1 587 . 12 1 1 A 48 48 SER N N 40 116.121 115.497 0.624 1
1 588 . 12 1 1 A 49 49 LYS H H 41 8.394 8.928 -0.534 1
1 589 . 12 1 1 A 49 49 LYS HA H 41 4.188 4.471 -0.283 1
1 598 . 12 1 1 A 49 49 LYS C C 41 176.470 175.323 1.147 1
1 599 . 12 1 1 A 49 49 LYS CA C 41 55.331 56.359 -1.028 1
1 600 . 12 1 1 A 49 49 LYS CB C 41 32.293 32.485 -0.192 1
1 604 . 12 1 1 A 49 49 LYS N N 41 120.990 124.852 -3.862 1
1 605 . 12 1 1 A 50 50 GLY H H 42 6.747 7.630 -0.883 1
1 606 . 12 1 1 A 50 50 GLY HA2 H 42 3.531 3.849 -0.318 1
1 607 . 12 1 1 A 50 50 GLY HA3 H 42 3.884 4.112 -0.228 1
1 608 . 12 1 1 A 50 50 GLY C C 42 170.967 172.048 -1.081 1
1 609 . 12 1 1 A 50 50 GLY CA C 42 45.060 44.401 0.659 1
1 610 . 12 1 1 A 50 50 GLY N N 42 106.048 108.546 -2.498 1
1 611 . 12 1 1 A 51 51 SER H H 43 8.158 8.815 -0.657 1
1 612 . 12 1 1 A 51 51 SER HA H 43 5.343 5.266 0.077 1
1 615 . 12 1 1 A 51 51 SER C C 43 172.787 172.883 -0.096 1
1 616 . 12 1 1 A 51 51 SER CA C 43 57.639 56.990 0.649 1
1 617 . 12 1 1 A 51 51 SER CB C 43 65.897 66.240 -0.343 1
1 618 . 12 1 1 A 51 51 SER N N 43 113.080 116.611 -3.531 1
1 619 . 12 1 1 A 52 52 ILE H H 44 9.306 9.386 -0.080 1
1 620 . 12 1 1 A 52 52 ILE HA H 44 4.203 4.714 -0.511 1
1 630 . 12 1 1 A 52 52 ILE C C 44 174.340 174.922 -0.582 1
1 631 . 12 1 1 A 52 52 ILE CA C 44 60.326 60.424 -0.098 1
1 632 . 12 1 1 A 52 52 ILE CB C 44 42.302 39.221 3.081 1
1 636 . 12 1 1 A 52 52 ILE N N 44 123.385 122.940 0.445 1
1 637 . 12 1 1 A 53 53 LYS H H 45 8.495 8.658 -0.163 1
1 638 . 12 1 1 A 53 53 LYS HA H 45 4.444 4.592 -0.148 1
1 647 . 12 1 1 A 53 53 LYS C C 45 176.283 176.680 -0.397 1
1 648 . 12 1 1 A 53 53 LYS CA C 45 56.255 56.483 -0.228 1
1 649 . 12 1 1 A 53 53 LYS CB C 45 32.258 32.630 -0.372 1
1 653 . 12 1 1 A 53 53 LYS N N 45 127.498 129.009 -1.511 1
1 654 . 12 1 1 A 54 54 MET H H 46 8.190 8.572 -0.382 1
1 655 . 12 1 1 A 54 54 MET HA H 46 4.585 4.139 0.446 1
1 663 . 12 1 1 A 54 54 MET C C 46 178.779 178.019 0.760 1
1 664 . 12 1 1 A 54 54 MET CA C 46 55.549 58.658 -3.109 1
1 665 . 12 1 1 A 54 54 MET CB C 46 29.465 31.849 -2.384 1
1 668 . 12 1 1 A 54 54 MET N N 46 123.817 125.546 -1.729 1
1 669 . 12 1 1 A 55 55 ALA H H 47 8.860 7.855 1.005 1
1 670 . 12 1 1 A 55 55 ALA HA H 47 4.142 4.158 -0.016 1
1 674 . 12 1 1 A 55 55 ALA C C 47 178.752 177.859 0.893 1
1 675 . 12 1 1 A 55 55 ALA CA C 47 55.004 54.235 0.769 1
1 676 . 12 1 1 A 55 55 ALA CB C 47 19.312 18.399 0.913 1
1 677 . 12 1 1 A 55 55 ALA N N 47 119.194 120.971 -1.777 1
1 678 . 12 1 1 A 56 56 VAL H H 48 7.127 8.031 -0.904 1
1 679 . 12 1 1 A 56 56 VAL HA H 48 4.592 4.367 0.225 1
1 687 . 12 1 1 A 56 56 VAL C C 48 174.965 175.563 -0.598 1
1 688 . 12 1 1 A 56 56 VAL CA C 48 60.038 61.453 -1.415 1
1 689 . 12 1 1 A 56 56 VAL CB C 48 31.878 33.554 -1.676 1
1 692 . 12 1 1 A 56 56 VAL N N 48 105.989 116.601 -10.612 1
1 693 . 12 1 1 A 57 57 CYS H H 49 7.414 7.605 -0.191 1
1 694 . 12 1 1 A 57 57 CYS HA H 49 4.897 5.132 -0.235 1
1 697 . 12 1 1 A 57 57 CYS C C 49 173.836 173.021 0.815 1
1 698 . 12 1 1 A 57 57 CYS CA C 49 58.123 57.466 0.657 1
1 699 . 12 1 1 A 57 57 CYS CB C 49 30.078 30.896 -0.818 1
1 700 . 12 1 1 A 57 57 CYS N N 49 119.973 120.715 -0.742 1
1 701 . 12 1 1 A 58 58 GLU H H 50 8.852 9.043 -0.191 1
1 702 . 12 1 1 A 58 58 GLU HA H 50 4.674 4.770 -0.096 1
1 707 . 12 1 1 A 58 58 GLU C C 50 175.085 175.106 -0.021 1
1 708 . 12 1 1 A 58 58 GLU CA C 50 54.809 55.931 -1.122 1
1 709 . 12 1 1 A 58 58 GLU CB C 50 31.856 30.860 0.996 1
1 711 . 12 1 1 A 58 58 GLU N N 50 124.719 125.610 -0.891 1
1 712 . 12 1 1 A 59 59 ILE H H 51 8.731 8.835 -0.104 1
1 713 . 12 1 1 A 59 59 ILE HA H 51 4.625 4.924 -0.299 1
1 723 . 12 1 1 A 59 59 ILE C C 51 175.513 174.413 1.100 1
1 724 . 12 1 1 A 59 59 ILE CA C 51 60.675 60.206 0.469 1
1 725 . 12 1 1 A 59 59 ILE CB C 51 39.717 39.716 0.001 1
1 729 . 12 1 1 A 59 59 ILE N N 51 124.286 125.666 -1.380 1
1 730 . 12 1 1 A 60 60 LYS H H 52 9.212 9.166 0.046 1
1 731 . 12 1 1 A 60 60 LYS HA H 52 4.829 4.697 0.132 1
1 740 . 12 1 1 A 60 60 LYS C C 52 175.594 175.435 0.159 1
1 741 . 12 1 1 A 60 60 LYS CA C 52 54.490 56.020 -1.530 1
1 742 . 12 1 1 A 60 60 LYS CB C 52 34.908 33.106 1.802 1
1 746 . 12 1 1 A 60 60 LYS N N 52 128.004 129.124 -1.120 1
1 747 . 12 1 1 A 61 61 VAL H H 53 8.776 8.918 -0.142 1
1 748 . 12 1 1 A 61 61 VAL HA H 53 4.087 4.957 -0.870 1
1 756 . 12 1 1 A 61 61 VAL C C 53 175.262 174.970 0.292 1
1 757 . 12 1 1 A 61 61 VAL CA C 53 62.067 61.385 0.682 1
1 758 . 12 1 1 A 61 61 VAL CB C 53 33.296 33.371 -0.075 1
1 761 . 12 1 1 A 61 61 VAL N N 53 124.000 125.248 -1.248 1
1 762 . 12 1 1 A 62 62 HIS H H 54 7.677 8.942 -1.265 1
1 763 . 12 1 1 A 62 62 HIS HA H 54 4.456 4.863 -0.407 1
1 766 . 12 1 1 A 62 62 HIS C C 54 176.465 173.889 2.576 1
1 767 . 12 1 1 A 62 62 HIS CA C 54 57.986 56.285 1.701 1
1 768 . 12 1 1 A 62 62 HIS CB C 54 32.369 32.933 -0.564 1
1 769 . 12 1 1 A 62 62 HIS N N 54 127.177 125.775 1.402 1
1 770 . 12 1 1 A 63 63 SER H H 55 8.552 8.130 0.422 1
1 771 . 12 1 1 A 63 63 SER HA H 55 4.251 4.087 0.164 1
1 774 . 12 1 1 A 63 63 SER C C 55 174.509 174.062 0.447 1
1 775 . 12 1 1 A 63 63 SER CA C 55 60.312 60.602 -0.290 1
1 776 . 12 1 1 A 63 63 SER CB C 55 63.609 61.971 1.638 1
1 777 . 12 1 1 A 63 63 SER N N 55 120.508 118.808 1.700 1
1 778 . 12 1 1 A 64 64 ALA H H 56 8.807 8.142 0.665 1
1 779 . 12 1 1 A 64 64 ALA HA H 56 4.553 4.189 0.364 1
1 783 . 12 1 1 A 64 64 ALA C C 56 176.763 176.874 -0.111 1
1 784 . 12 1 1 A 64 64 ALA CA C 56 53.183 52.674 0.509 1
1 785 . 12 1 1 A 64 64 ALA CB C 56 20.619 19.397 1.222 1
1 786 . 12 1 1 A 64 64 ALA N N 56 124.728 124.762 -0.034 1
1 787 . 12 1 1 A 65 65 ASP H H 57 8.762 8.577 0.185 1
1 788 . 12 1 1 A 65 65 ASP HA H 57 4.689 4.804 -0.115 1
1 791 . 12 1 1 A 65 65 ASP C C 57 176.322 175.165 1.157 1
1 792 . 12 1 1 A 65 65 ASP CA C 57 52.911 53.864 -0.953 1
1 793 . 12 1 1 A 65 65 ASP CB C 57 41.216 41.439 -0.223 1
1 794 . 12 1 1 A 65 65 ASP N N 57 120.574 120.986 -0.412 1
1 795 . 12 1 1 A 66 66 ASN H H 58 8.457 8.776 -0.319 1
1 796 . 12 1 1 A 66 66 ASN HA H 58 4.580 4.891 -0.311 1
1 801 . 12 1 1 A 66 66 ASN C C 58 174.296 174.894 -0.598 1
1 802 . 12 1 1 A 66 66 ASN CA C 58 54.146 52.401 1.745 1
1 803 . 12 1 1 A 66 66 ASN CB C 58 37.538 38.777 -1.239 1
1 804 . 12 1 1 A 66 66 ASN N N 58 122.233 121.460 0.773 1
1 806 . 12 1 1 A 67 67 THR H H 59 8.411 8.461 -0.050 1
1 807 . 12 1 1 A 67 67 THR HA H 59 4.284 4.168 0.116 1
1 812 . 12 1 1 A 67 67 THR C C 59 175.932 174.073 1.859 1
1 813 . 12 1 1 A 67 67 THR CA C 59 62.159 63.733 -1.574 1
1 814 . 12 1 1 A 67 67 THR CB C 59 70.025 66.938 3.087 1
1 816 . 12 1 1 A 67 67 THR N N 59 104.777 118.903 -14.126 1
1 817 . 12 1 1 A 68 68 ARG H H 60 7.589 8.482 -0.893 1
1 818 . 12 1 1 A 68 68 ARG HA H 60 5.044 4.185 0.859 1
1 825 . 12 1 1 A 68 68 ARG C C 60 176.482 175.970 0.512 1
1 826 . 12 1 1 A 68 68 ARG CA C 60 56.516 56.045 0.471 1
1 827 . 12 1 1 A 68 68 ARG CB C 60 34.348 30.613 3.735 1
1 830 . 12 1 1 A 68 68 ARG N N 60 122.336 121.167 1.169 1
1 831 . 12 1 1 A 69 69 MET H H 61 9.018 8.041 0.977 1
1 832 . 12 1 1 A 69 69 MET HA H 61 4.997 4.974 0.023 1
1 840 . 12 1 1 A 69 69 MET C C 61 172.463 173.665 -1.202 1
1 841 . 12 1 1 A 69 69 MET CA C 61 55.330 53.537 1.793 1
1 842 . 12 1 1 A 69 69 MET CB C 61 37.234 35.846 1.388 1
1 845 . 12 1 1 A 69 69 MET N N 61 119.640 121.279 -1.639 1
1 846 . 12 1 1 A 70 70 GLU H H 62 8.996 8.968 0.028 1
1 847 . 12 1 1 A 70 70 GLU HA H 62 5.365 5.025 0.340 1
1 852 . 12 1 1 A 70 70 GLU C C 62 173.523 174.841 -1.318 1
1 853 . 12 1 1 A 70 70 GLU CA C 62 54.326 54.707 -0.381 1
1 854 . 12 1 1 A 70 70 GLU CB C 62 33.915 33.416 0.499 1
1 856 . 12 1 1 A 70 70 GLU N N 62 122.200 120.454 1.746 1
1 857 . 12 1 1 A 71 71 LEU H H 63 8.763 9.649 -0.886 1
1 858 . 12 1 1 A 71 71 LEU HA H 63 5.222 5.437 -0.215 1
1 868 . 12 1 1 A 71 71 LEU C C 63 175.719 174.983 0.736 1
1 869 . 12 1 1 A 71 71 LEU CA C 63 53.222 53.514 -0.292 1
1 870 . 12 1 1 A 71 71 LEU CB C 63 43.781 42.820 0.961 1
1 874 . 12 1 1 A 71 71 LEU N N 63 123.741 127.124 -3.383 1
1 875 . 12 1 1 A 72 72 ILE H H 64 9.006 9.409 -0.403 1
1 876 . 12 1 1 A 72 72 ILE HA H 64 4.316 5.141 -0.825 1
1 886 . 12 1 1 A 72 72 ILE C C 64 175.349 173.486 1.863 1
1 887 . 12 1 1 A 72 72 ILE CA C 64 60.921 60.318 0.603 1
1 888 . 12 1 1 A 72 72 ILE CB C 64 39.919 41.039 -1.120 1
1 892 . 12 1 1 A 72 72 ILE N N 64 123.633 126.457 -2.824 1
1 893 . 12 1 1 A 73 73 ILE H H 65 8.601 9.073 -0.472 1
1 894 . 12 1 1 A 73 73 ILE HA H 65 4.854 4.785 0.069 1
1 904 . 12 1 1 A 73 73 ILE CA C 65 58.440 57.272 1.168 1
1 905 . 12 1 1 A 73 73 ILE CB C 65 39.820 41.324 -1.504 1
1 909 . 12 1 1 A 73 73 ILE N N 65 128.410 129.600 -1.190 1
1 910 . 12 1 1 A 74 74 PRO HA H 66 4.265 4.293 -0.028 1
1 917 . 12 1 1 A 74 74 PRO C C 66 177.170 177.448 -0.278 1
1 918 . 12 1 1 A 74 74 PRO CA C 66 64.500 64.098 0.402 1
1 919 . 12 1 1 A 74 74 PRO CB C 66 31.826 31.483 0.343 1
1 922 . 12 1 1 A 75 75 GLY H H 67 8.704 8.825 -0.121 1
1 923 . 12 1 1 A 75 75 GLY HA2 H 67 3.753 3.980 -0.227 1
1 924 . 12 1 1 A 75 75 GLY HA3 H 67 4.251 3.996 0.255 1
1 925 . 12 1 1 A 75 75 GLY C C 67 174.192 175.055 -0.863 1
1 926 . 12 1 1 A 75 75 GLY CA C 67 45.479 45.616 -0.137 1
1 927 . 12 1 1 A 75 75 GLY N N 67 111.825 112.310 -0.485 1
1 928 . 12 1 1 A 76 76 GLU H H 68 8.258 7.837 0.421 1
1 929 . 12 1 1 A 76 76 GLU HA H 68 4.483 4.571 -0.088 1
1 934 . 12 1 1 A 76 76 GLU C C 68 175.838 177.293 -1.455 1
1 935 . 12 1 1 A 76 76 GLU CA C 68 56.178 57.289 -1.111 1
1 936 . 12 1 1 A 76 76 GLU CB C 68 31.066 31.453 -0.387 1
1 938 . 12 1 1 A 76 76 GLU N N 68 118.446 119.868 -1.422 1
1 939 . 12 1 1 A 77 77 GLN H H 69 8.102 8.389 -0.287 1
1 940 . 12 1 1 A 77 77 GLN HA H 69 4.556 4.494 0.062 1
1 947 . 12 1 1 A 77 77 GLN C C 69 175.179 175.261 -0.082 1
1 948 . 12 1 1 A 77 77 GLN CA C 69 55.633 56.119 -0.486 1
1 949 . 12 1 1 A 77 77 GLN CB C 69 31.116 28.670 2.446 1
1 951 . 12 1 1 A 77 77 GLN N N 69 117.826 118.993 -1.167 1
1 953 . 12 1 1 A 78 78 HIS H H 70 8.857 8.983 -0.126 1
1 954 . 12 1 1 A 78 78 HIS HA H 70 4.923 4.170 0.753 1
1 957 . 12 1 1 A 78 78 HIS C C 70 173.113 173.727 -0.614 1
1 958 . 12 1 1 A 78 78 HIS CA C 70 54.623 56.623 -2.000 1
1 959 . 12 1 1 A 78 78 HIS CB C 70 30.231 28.248 1.983 1
1 960 . 12 1 1 A 78 78 HIS N N 70 120.752 119.113 1.639 1
1 961 . 12 1 1 A 79 79 PHE H H 71 9.120 7.622 1.498 1
1 962 . 12 1 1 A 79 79 PHE HA H 71 4.797 4.828 -0.031 1
1 967 . 12 1 1 A 79 79 PHE C C 71 174.341 173.986 0.355 1
1 968 . 12 1 1 A 79 79 PHE CA C 71 56.191 56.470 -0.279 1
1 969 . 12 1 1 A 79 79 PHE CB C 71 40.983 39.506 1.477 1
1 970 . 12 1 1 A 79 79 PHE N N 71 124.577 118.617 5.960 1
1 971 . 12 1 1 A 80 80 TYR H H 72 8.883 9.038 -0.155 1
1 972 . 12 1 1 A 80 80 TYR HA H 72 5.142 5.116 0.026 1
1 979 . 12 1 1 A 80 80 TYR C C 72 175.115 174.130 0.985 1
1 980 . 12 1 1 A 80 80 TYR CA C 72 57.353 57.003 0.350 1
1 981 . 12 1 1 A 80 80 TYR CB C 72 39.753 41.169 -1.416 1
1 986 . 12 1 1 A 80 80 TYR N N 72 124.010 125.467 -1.457 1
1 987 . 12 1 1 A 81 81 MET H H 73 8.824 8.333 0.491 1
1 988 . 12 1 1 A 81 81 MET HA H 73 5.983 5.121 0.862 1
1 996 . 12 1 1 A 81 81 MET C C 73 175.053 174.380 0.673 1
1 997 . 12 1 1 A 81 81 MET CA C 73 54.453 53.648 0.805 1
1 998 . 12 1 1 A 81 81 MET CB C 73 38.584 35.920 2.664 1
1 1001 . 12 1 1 A 81 81 MET N N 73 120.151 125.578 -5.427 1
1 1002 . 12 1 1 A 82 82 LYS H H 74 9.103 8.776 0.327 1
1 1003 . 12 1 1 A 82 82 LYS HA H 74 4.800 4.893 -0.093 1
1 1012 . 12 1 1 A 82 82 LYS C C 74 174.244 176.001 -1.757 1
1 1013 . 12 1 1 A 82 82 LYS CA C 74 55.314 54.521 0.793 1
1 1014 . 12 1 1 A 82 82 LYS CB C 74 36.251 35.709 0.542 1
1 1018 . 12 1 1 A 82 82 LYS N N 74 121.097 123.778 -2.681 1
1 1019 . 12 1 1 A 83 83 ALA H H 75 8.740 8.173 0.567 1
1 1020 . 12 1 1 A 83 83 ALA HA H 75 4.786 4.662 0.124 1
1 1024 . 12 1 1 A 83 83 ALA C C 75 177.126 178.255 -1.129 1
1 1025 . 12 1 1 A 83 83 ALA CA C 75 49.893 51.526 -1.633 1
1 1026 . 12 1 1 A 83 83 ALA CB C 75 21.311 20.561 0.750 1
1 1027 . 12 1 1 A 83 83 ALA N N 75 126.624 128.136 -1.512 1
1 1028 . 12 1 1 A 84 84 VAL H H 76 9.105 8.701 0.404 1
1 1029 . 12 1 1 A 84 84 VAL HA H 76 3.835 3.907 -0.072 1
1 1037 . 12 1 1 A 84 84 VAL C C 76 175.635 176.057 -0.422 1
1 1038 . 12 1 1 A 84 84 VAL CA C 76 64.888 65.738 -0.850 1
1 1039 . 12 1 1 A 84 84 VAL CB C 76 32.097 32.247 -0.150 1
1 1042 . 12 1 1 A 84 84 VAL N N 76 115.195 119.157 -3.962 1
1 1043 . 12 1 1 A 85 85 ASN H H 77 7.278 7.949 -0.671 1
1 1044 . 12 1 1 A 85 85 ASN HA H 77 4.476 5.037 -0.561 1
1 1049 . 12 1 1 A 85 85 ASN C C 77 174.796 175.525 -0.729 1
1 1050 . 12 1 1 A 85 85 ASN CA C 77 52.193 51.340 0.853 1
1 1051 . 12 1 1 A 85 85 ASN CB C 77 39.702 40.515 -0.813 1
1 1052 . 12 1 1 A 85 85 ASN N N 77 109.430 115.416 -5.986 1
1 1054 . 12 1 1 A 86 86 ALA H H 78 8.681 8.792 -0.111 1
1 1055 . 12 1 1 A 86 86 ALA HA H 78 4.195 4.027 0.168 1
1 1059 . 12 1 1 A 86 86 ALA C C 78 180.157 179.926 0.231 1
1 1060 . 12 1 1 A 86 86 ALA CA C 78 54.919 55.600 -0.681 1
1 1061 . 12 1 1 A 86 86 ALA CB C 78 18.721 18.233 0.488 1
1 1062 . 12 1 1 A 86 86 ALA N N 78 121.886 121.588 0.298 1
1 1063 . 12 1 1 A 87 87 ALA H H 79 8.386 8.197 0.189 1
1 1064 . 12 1 1 A 87 87 ALA HA H 79 4.200 4.009 0.191 1
1 1068 . 12 1 1 A 87 87 ALA C C 79 181.167 180.144 1.023 1
1 1069 . 12 1 1 A 87 87 ALA CA C 79 55.195 55.242 -0.047 1
1 1070 . 12 1 1 A 87 87 ALA CB C 79 17.663 18.240 -0.577 1
1 1071 . 12 1 1 A 87 87 ALA N N 79 123.939 119.728 4.211 1
1 1072 . 12 1 1 A 88 88 GLU H H 80 8.743 8.146 0.597 1
1 1073 . 12 1 1 A 88 88 GLU HA H 80 4.260 4.020 0.240 1
1 1078 . 12 1 1 A 88 88 GLU C C 80 178.848 179.135 -0.287 1
1 1079 . 12 1 1 A 88 88 GLU CA C 80 59.191 59.471 -0.280 1
1 1080 . 12 1 1 A 88 88 GLU CB C 80 29.898 29.328 0.570 1
1 1082 . 12 1 1 A 88 88 GLU N N 80 119.694 117.845 1.849 1
1 1083 . 12 1 1 A 89 89 ARG H H 81 7.936 8.260 -0.324 1
1 1084 . 12 1 1 A 89 89 ARG HA H 81 3.780 4.100 -0.320 1
1 1087 . 12 1 1 A 89 89 ARG C C 81 177.596 178.718 -1.122 1
1 1088 . 12 1 1 A 89 89 ARG CA C 81 61.042 59.572 1.470 1
1 1089 . 12 1 1 A 89 89 ARG CB C 81 29.630 29.781 -0.151 1
1 1090 . 12 1 1 A 89 89 ARG N N 81 119.080 120.862 -1.782 1
1 1091 . 12 1 1 A 90 90 GLN H H 82 8.063 8.144 -0.081 1
1 1092 . 12 1 1 A 90 90 GLN HA H 82 4.039 4.019 0.020 1
1 1099 . 12 1 1 A 90 90 GLN C C 82 177.419 178.221 -0.802 1
1 1100 . 12 1 1 A 90 90 GLN CA C 82 59.069 59.004 0.065 1
1 1101 . 12 1 1 A 90 90 GLN CB C 82 27.786 28.303 -0.517 1
1 1103 . 12 1 1 A 90 90 GLN N N 82 118.390 118.527 -0.137 1
1 1105 . 12 1 1 A 91 91 ARG H H 83 7.700 7.584 0.116 1
1 1106 . 12 1 1 A 91 91 ARG HA H 83 3.961 3.963 -0.002 1
1 1114 . 12 1 1 A 91 91 ARG C C 83 180.016 178.942 1.074 1
1 1115 . 12 1 1 A 91 91 ARG CA C 83 59.750 59.562 0.188 1
1 1116 . 12 1 1 A 91 91 ARG CB C 83 30.401 29.648 0.753 1
1 1119 . 12 1 1 A 91 91 ARG N N 83 117.912 118.783 -0.871 1
1 1121 . 12 1 1 A 92 92 TRP H H 84 7.895 7.706 0.189 1
1 1122 . 12 1 1 A 92 92 TRP HA H 84 4.115 4.415 -0.300 1
1 1130 . 12 1 1 A 92 92 TRP C C 84 178.111 179.133 -1.022 1
1 1131 . 12 1 1 A 92 92 TRP CA C 84 61.633 59.542 2.091 1
1 1132 . 12 1 1 A 92 92 TRP CB C 84 29.032 29.331 -0.299 1
1 1137 . 12 1 1 A 92 92 TRP N N 84 119.237 121.135 -1.898 1
1 1139 . 12 1 1 A 93 93 LEU H H 85 8.988 8.746 0.242 1
1 1140 . 12 1 1 A 93 93 LEU HA H 85 3.978 3.999 -0.021 1
1 1150 . 12 1 1 A 93 93 LEU C C 85 180.925 179.636 1.289 1
1 1151 . 12 1 1 A 93 93 LEU CA C 85 58.716 57.807 0.909 1
1 1152 . 12 1 1 A 93 93 LEU CB C 85 41.506 41.194 0.312 1
1 1156 . 12 1 1 A 93 93 LEU N N 85 119.853 120.125 -0.272 1
1 1157 . 12 1 1 A 94 94 VAL H H 86 8.233 8.286 -0.053 1
1 1158 . 12 1 1 A 94 94 VAL HA H 86 3.695 3.521 0.174 1
1 1166 . 12 1 1 A 94 94 VAL C C 86 178.733 177.764 0.969 1
1 1167 . 12 1 1 A 94 94 VAL CA C 86 66.250 66.598 -0.348 1
1 1168 . 12 1 1 A 94 94 VAL CB C 86 31.886 31.512 0.374 1
1 1171 . 12 1 1 A 94 94 VAL N N 86 120.164 120.015 0.149 1
1 1172 . 12 1 1 A 95 95 ALA H H 87 7.345 7.767 -0.422 1
1 1173 . 12 1 1 A 95 95 ALA HA H 87 4.113 4.043 0.070 1
1 1177 . 12 1 1 A 95 95 ALA C C 87 180.055 180.480 -0.425 1
1 1178 . 12 1 1 A 95 95 ALA CA C 87 55.410 55.420 -0.010 1
1 1179 . 12 1 1 A 95 95 ALA CB C 87 18.816 18.550 0.266 1
1 1180 . 12 1 1 A 95 95 ALA N N 87 123.818 121.590 2.228 1
1 1181 . 12 1 1 A 96 96 LEU H H 88 9.342 8.801 0.541 1
1 1182 . 12 1 1 A 96 96 LEU HA H 88 4.003 3.963 0.040 1
1 1192 . 12 1 1 A 96 96 LEU C C 88 179.349 179.525 -0.176 1
1 1193 . 12 1 1 A 96 96 LEU CA C 88 57.786 58.111 -0.325 1
1 1194 . 12 1 1 A 96 96 LEU CB C 88 41.848 41.833 0.015 1
1 1198 . 12 1 1 A 96 96 LEU N N 88 117.857 118.444 -0.587 1
1 1199 . 12 1 1 A 97 97 GLY H H 89 8.252 8.440 -0.188 1
1 1200 . 12 1 1 A 97 97 GLY HA2 H 89 3.819 3.852 -0.033 1
1 1201 . 12 1 1 A 97 97 GLY HA3 H 89 3.948 3.854 0.094 1
1 1202 . 12 1 1 A 97 97 GLY C C 89 176.463 176.718 -0.255 1
1 1203 . 12 1 1 A 97 97 GLY CA C 89 46.620 47.363 -0.743 1
1 1204 . 12 1 1 A 97 97 GLY N N 89 105.618 106.350 -0.732 1
1 1205 . 12 1 1 A 98 98 SER H H 90 8.068 7.587 0.481 1
1 1206 . 12 1 1 A 98 98 SER HA H 90 4.377 4.278 0.099 1
1 1209 . 12 1 1 A 98 98 SER C C 90 176.144 176.205 -0.061 1
1 1210 . 12 1 1 A 98 98 SER CA C 90 60.842 62.268 -1.426 1
1 1211 . 12 1 1 A 98 98 SER CB C 90 63.116 62.993 0.123 1
1 1212 . 12 1 1 A 98 98 SER N N 90 117.602 120.137 -2.535 1
1 1213 . 12 1 1 A 99 99 SER H H 91 8.036 8.054 -0.018 1
1 1214 . 12 1 1 A 99 99 SER HA H 91 4.324 4.231 0.093 1
1 1217 . 12 1 1 A 99 99 SER C C 91 175.818 176.035 -0.217 1
1 1218 . 12 1 1 A 99 99 SER CA C 91 60.720 61.672 -0.952 1
1 1219 . 12 1 1 A 99 99 SER CB C 91 63.831 62.760 1.071 1
1 1220 . 12 1 1 A 99 99 SER N N 91 116.877 118.680 -1.803 1
1 1221 . 12 1 1 A 100 100 LYS H H 92 7.838 7.842 -0.004 1
1 1222 . 12 1 1 A 100 100 LYS HA H 92 4.068 4.037 0.031 1
1 1231 . 12 1 1 A 100 100 LYS C C 92 177.235 177.982 -0.747 1
1 1232 . 12 1 1 A 100 100 LYS CA C 92 58.121 59.236 -1.115 1
1 1233 . 12 1 1 A 100 100 LYS CB C 92 32.263 32.065 0.198 1
1 1237 . 12 1 1 A 100 100 LYS N N 92 119.456 121.613 -2.157 1
1 1238 . 12 1 1 A 101 101 ALA H H 93 7.924 7.839 0.085 1
1 1239 . 12 1 1 A 101 101 ALA HA H 93 4.321 4.246 0.075 1
1 1243 . 12 1 1 A 101 101 ALA C C 93 178.323 178.089 0.234 1
1 1244 . 12 1 1 A 101 101 ALA CA C 93 53.435 53.200 0.235 1
1 1245 . 12 1 1 A 101 101 ALA CB C 93 18.969 18.263 0.706 1
1 1246 . 12 1 1 A 101 101 ALA N N 93 122.054 120.136 1.918 1
1 1247 . 12 1 1 A 102 102 SER H H 94 8.061 8.838 -0.777 1
1 1248 . 12 1 1 A 102 102 SER HA H 94 4.451 4.075 0.376 1
1 1251 . 12 1 1 A 102 102 SER C C 94 174.773 173.773 1.000 1
1 1252 . 12 1 1 A 102 102 SER CA C 94 59.086 59.062 0.024 1
1 1253 . 12 1 1 A 102 102 SER CB C 94 63.766 61.717 2.049 1
1 1254 . 12 1 1 A 102 102 SER N N 94 114.102 117.914 -3.812 1
1 1255 . 12 1 1 A 103 103 LEU H H 95 8.053 7.746 0.307 1
1 1256 . 12 1 1 A 103 103 LEU HA H 95 4.507 4.620 -0.113 1
1 1266 . 12 1 1 A 103 103 LEU C C 95 177.589 175.845 1.744 1
1 1267 . 12 1 1 A 103 103 LEU CA C 95 55.398 52.507 2.891 1
1 1268 . 12 1 1 A 103 103 LEU CB C 95 42.435 44.554 -2.119 1
1 1272 . 12 1 1 A 103 103 LEU N N 95 123.264 122.134 1.130 1
1 1273 . 12 1 1 A 104 104 THR H H 96 8.045 8.645 -0.600 1
1 1274 . 12 1 1 A 104 104 THR HA H 96 4.383 4.409 -0.026 1
1 1279 . 12 1 1 A 104 104 THR C C 96 174.128 173.821 0.307 1
1 1280 . 12 1 1 A 104 104 THR CA C 96 61.982 61.541 0.441 1
1 1281 . 12 1 1 A 104 104 THR CB C 96 69.938 71.021 -1.083 1
1 1283 . 12 1 1 A 104 104 THR N N 96 113.833 115.119 -1.286 1
1 1284 . 12 1 1 A 105 105 ASP H H 97 8.346 8.601 -0.255 1
1 1285 . 12 1 1 A 105 105 ASP HA H 97 4.740 4.598 0.142 1
1 1288 . 12 1 1 A 105 105 ASP C C 97 176.310 177.064 -0.754 1
1 1289 . 12 1 1 A 105 105 ASP CA C 97 54.300 54.285 0.015 1
1 1290 . 12 1 1 A 105 105 ASP CB C 97 41.174 41.955 -0.781 1
1 1291 . 12 1 1 A 105 105 ASP N N 97 123.107 120.746 2.361 1
1 1292 . 12 1 1 A 106 106 THR H H 98 8.147 8.846 -0.699 1
1 1293 . 12 1 1 A 106 106 THR HA H 98 4.355 4.051 0.304 1
1 1298 . 12 1 1 A 106 106 THR C C 98 174.523 173.570 0.953 1
1 1299 . 12 1 1 A 106 106 THR CA C 98 61.937 62.971 -1.034 1
1 1300 . 12 1 1 A 106 106 THR CB C 98 69.656 66.498 3.158 1
1 1302 . 12 1 1 A 106 106 THR N N 98 114.857 116.326 -1.469 1
1 1303 . 12 1 1 A 107 107 ARG H H 99 8.385 7.733 0.652 1
1 1304 . 12 1 1 A 107 107 ARG HA H 99 4.442 4.864 -0.422 1
1 1312 . 12 1 1 A 107 107 ARG C C 99 175.764 174.958 0.806 1
1 1313 . 12 1 1 A 107 107 ARG CA C 99 56.311 54.700 1.611 1
1 1314 . 12 1 1 A 107 107 ARG CB C 99 30.745 30.817 -0.072 1
1 1317 . 12 1 1 A 107 107 ARG N N 99 123.999 121.474 2.525 1
1 1 . 13 1 1 A 2 2 PRO HA H -6 4.460 4.426 0.034 1
1 8 . 13 1 1 A 2 2 PRO C C -6 176.875 176.154 0.721 1
1 9 . 13 1 1 A 2 2 PRO CA C -6 63.159 63.320 -0.161 1
1 10 . 13 1 1 A 2 2 PRO CB C -6 32.292 31.695 0.597 1
1 13 . 13 1 1 A 3 3 LEU H H -5 8.483 8.616 -0.133 1
1 14 . 13 1 1 A 3 3 LEU HA H -5 4.334 4.663 -0.329 1
1 24 . 13 1 1 A 3 3 LEU C C -5 177.797 177.350 0.447 1
1 25 . 13 1 1 A 3 3 LEU CA C -5 55.474 53.785 1.689 1
1 26 . 13 1 1 A 3 3 LEU CB C -5 42.239 43.387 -1.148 1
1 30 . 13 1 1 A 3 3 LEU N N -5 122.315 124.619 -2.304 1
1 31 . 13 1 1 A 4 4 GLY H H -4 8.393 8.837 -0.444 1
1 32 . 13 1 1 A 4 4 GLY HA2 H -4 3.978 4.002 -0.024 1
1 33 . 13 1 1 A 4 4 GLY HA3 H -4 3.978 4.003 -0.025 1
1 34 . 13 1 1 A 4 4 GLY C C -4 173.730 174.391 -0.661 1
1 35 . 13 1 1 A 4 4 GLY CA C -4 45.158 45.513 -0.355 1
1 36 . 13 1 1 A 4 4 GLY N N -4 109.911 113.119 -3.208 1
1 37 . 13 1 1 A 5 5 SER H H -3 8.162 8.166 -0.004 1
1 38 . 13 1 1 A 5 5 SER HA H -3 4.764 4.569 0.195 1
1 41 . 13 1 1 A 5 5 SER CA C -3 56.323 56.571 -0.248 1
1 42 . 13 1 1 A 5 5 SER CB C -3 63.515 63.446 0.069 1
1 43 . 13 1 1 A 5 5 SER N N -3 116.873 116.384 0.489 1
1 44 . 13 1 1 A 6 6 PRO HA H -2 4.399 4.503 -0.104 1
1 47 . 13 1 1 A 6 6 PRO C C -2 176.587 176.572 0.015 1
1 48 . 13 1 1 A 6 6 PRO CA C -2 63.552 63.479 0.073 1
1 49 . 13 1 1 A 6 6 PRO CB C -2 31.997 31.755 0.242 1
1 50 . 13 1 1 A 7 7 GLU H H -1 8.364 8.533 -0.169 1
1 51 . 13 1 1 A 7 7 GLU HA H -1 4.285 4.514 -0.229 1
1 56 . 13 1 1 A 7 7 GLU C C -1 174.954 175.451 -0.497 1
1 57 . 13 1 1 A 7 7 GLU CA C -1 56.486 56.028 0.458 1
1 58 . 13 1 1 A 7 7 GLU CB C -1 29.924 28.514 1.410 1
1 60 . 13 1 1 A 7 7 GLU N N -1 119.665 122.731 -3.066 1
1 61 . 13 1 1 A 8 8 PHE H H 0 7.872 8.763 -0.891 1
1 62 . 13 1 1 A 8 8 PHE HA H 0 5.204 5.487 -0.283 1
1 67 . 13 1 1 A 8 8 PHE C C 0 174.670 173.632 1.038 1
1 68 . 13 1 1 A 8 8 PHE CA C 0 56.861 56.349 0.512 1
1 69 . 13 1 1 A 8 8 PHE CB C 0 41.874 42.576 -0.702 1
1 72 . 13 1 1 A 8 8 PHE N N 0 122.497 127.768 -5.271 1
1 73 . 13 1 1 A 9 9 MET H H 1 7.833 8.200 -0.367 1
1 74 . 13 1 1 A 9 9 MET HA H 1 4.095 4.622 -0.527 1
1 82 . 13 1 1 A 9 9 MET C C 1 171.191 173.859 -2.668 1
1 83 . 13 1 1 A 9 9 MET CA C 1 54.613 53.783 0.830 1
1 84 . 13 1 1 A 9 9 MET CB C 1 34.867 35.351 -0.484 1
1 87 . 13 1 1 A 9 9 MET N N 1 127.163 126.654 0.509 1
1 88 . 13 1 1 A 10 10 GLU H H 2 7.698 8.560 -0.862 1
1 89 . 13 1 1 A 10 10 GLU HA H 2 5.603 5.016 0.587 1
1 94 . 13 1 1 A 10 10 GLU C C 2 174.743 174.483 0.260 1
1 95 . 13 1 1 A 10 10 GLU CA C 2 53.345 54.151 -0.806 1
1 96 . 13 1 1 A 10 10 GLU CB C 2 32.408 33.721 -1.313 1
1 98 . 13 1 1 A 10 10 GLU N N 2 118.654 121.374 -2.720 1
1 99 . 13 1 1 A 11 11 GLY H H 3 7.994 7.296 0.698 1
1 100 . 13 1 1 A 11 11 GLY HA2 H 3 3.115 3.649 -0.534 1
1 101 . 13 1 1 A 11 11 GLY HA3 H 3 4.377 4.109 0.268 1
1 102 . 13 1 1 A 11 11 GLY C C 3 170.878 171.687 -0.809 1
1 103 . 13 1 1 A 11 11 GLY CA C 3 45.086 44.830 0.256 1
1 104 . 13 1 1 A 11 11 GLY N N 3 108.296 106.278 2.018 1
1 105 . 13 1 1 A 12 12 VAL H H 4 8.463 8.498 -0.035 1
1 106 . 13 1 1 A 12 12 VAL HA H 4 4.969 5.492 -0.523 1
1 114 . 13 1 1 A 12 12 VAL C C 4 177.805 174.208 3.597 1
1 115 . 13 1 1 A 12 12 VAL CA C 4 62.373 59.288 3.085 1
1 116 . 13 1 1 A 12 12 VAL CB C 4 33.152 35.422 -2.270 1
1 119 . 13 1 1 A 12 12 VAL N N 4 119.624 115.905 3.719 1
1 120 . 13 1 1 A 13 13 LEU H H 5 8.647 8.910 -0.263 1
1 121 . 13 1 1 A 13 13 LEU HA H 5 4.382 5.016 -0.634 1
1 131 . 13 1 1 A 13 13 LEU C C 5 175.407 175.224 0.183 1
1 132 . 13 1 1 A 13 13 LEU CA C 5 54.139 53.554 0.585 1
1 133 . 13 1 1 A 13 13 LEU CB C 5 46.374 45.361 1.013 1
1 137 . 13 1 1 A 13 13 LEU N N 5 125.806 122.458 3.348 1
1 138 . 13 1 1 A 14 14 TYR H H 6 9.007 9.204 -0.197 1
1 139 . 13 1 1 A 14 14 TYR HA H 6 5.026 5.125 -0.099 1
1 144 . 13 1 1 A 14 14 TYR C C 6 175.047 174.424 0.623 1
1 145 . 13 1 1 A 14 14 TYR CA C 6 57.484 58.016 -0.532 1
1 146 . 13 1 1 A 14 14 TYR CB C 6 39.400 39.103 0.297 1
1 147 . 13 1 1 A 14 14 TYR N N 6 118.975 125.002 -6.027 1
1 148 . 13 1 1 A 15 15 LYS H H 7 9.549 9.192 0.357 1
1 149 . 13 1 1 A 15 15 LYS HA H 7 5.467 4.763 0.704 1
1 158 . 13 1 1 A 15 15 LYS C C 7 175.772 175.939 -0.167 1
1 159 . 13 1 1 A 15 15 LYS CA C 7 54.136 54.574 -0.438 1
1 160 . 13 1 1 A 15 15 LYS CB C 7 37.043 34.819 2.224 1
1 164 . 13 1 1 A 15 15 LYS N N 7 123.867 128.355 -4.488 1
1 165 . 13 1 1 A 16 16 TRP H H 8 8.355 8.694 -0.339 1
1 166 . 13 1 1 A 16 16 TRP HA H 8 3.893 4.835 -0.942 1
1 175 . 13 1 1 A 16 16 TRP C C 8 176.038 176.278 -0.240 1
1 176 . 13 1 1 A 16 16 TRP CA C 8 57.880 58.091 -0.211 1
1 177 . 13 1 1 A 16 16 TRP CB C 8 29.347 30.448 -1.101 1
1 183 . 13 1 1 A 16 16 TRP N N 8 129.111 129.301 -0.190 1
1 185 . 13 1 1 A 17 17 THR H H 9 6.754 7.980 -1.226 1
1 186 . 13 1 1 A 17 17 THR HA H 9 4.127 4.312 -0.185 1
1 191 . 13 1 1 A 17 17 THR C C 9 172.153 173.856 -1.703 1
1 192 . 13 1 1 A 17 17 THR CA C 9 61.413 61.715 -0.302 1
1 193 . 13 1 1 A 17 17 THR CB C 9 69.317 69.209 0.108 1
1 195 . 13 1 1 A 17 17 THR N N 9 121.030 118.319 2.711 1
1 196 . 13 1 1 A 18 18 ASN H H 10 7.418 6.897 0.521 1
1 197 . 13 1 1 A 18 18 ASN HA H 10 4.051 4.915 -0.864 1
1 202 . 13 1 1 A 18 18 ASN C C 10 174.308 175.278 -0.970 1
1 203 . 13 1 1 A 18 18 ASN CA C 10 52.089 51.078 1.011 1
1 204 . 13 1 1 A 18 18 ASN CB C 10 39.339 42.258 -2.919 1
1 205 . 13 1 1 A 18 18 ASN N N 10 115.655 116.711 -1.056 1
1 207 . 13 1 1 A 19 19 TYR H H 11 8.348 8.679 -0.331 1
1 208 . 13 1 1 A 19 19 TYR HA H 11 4.284 4.411 -0.127 1
1 215 . 13 1 1 A 19 19 TYR C C 11 175.974 177.419 -1.445 1
1 216 . 13 1 1 A 19 19 TYR CA C 11 60.774 60.683 0.091 1
1 217 . 13 1 1 A 19 19 TYR CB C 11 37.815 37.943 -0.128 1
1 222 . 13 1 1 A 19 19 TYR N N 11 115.508 120.993 -5.485 1
1 223 . 13 1 1 A 20 20 LEU H H 12 7.827 7.807 0.020 1
1 224 . 13 1 1 A 20 20 LEU HA H 12 4.091 4.102 -0.011 1
1 234 . 13 1 1 A 20 20 LEU C C 12 178.711 178.732 -0.021 1
1 235 . 13 1 1 A 20 20 LEU CA C 12 56.966 57.773 -0.807 1
1 236 . 13 1 1 A 20 20 LEU CB C 12 41.922 41.965 -0.043 1
1 240 . 13 1 1 A 20 20 LEU N N 12 120.867 122.567 -1.700 1
1 241 . 13 1 1 A 21 21 THR H H 13 7.651 7.685 -0.034 1
1 242 . 13 1 1 A 21 21 THR HA H 13 4.162 4.325 -0.163 1
1 247 . 13 1 1 A 21 21 THR C C 13 175.842 174.493 1.349 1
1 248 . 13 1 1 A 21 21 THR CA C 13 62.159 62.432 -0.273 1
1 249 . 13 1 1 A 21 21 THR CB C 13 69.191 70.419 -1.228 1
1 251 . 13 1 1 A 21 21 THR N N 13 108.304 107.393 0.911 1
1 252 . 13 1 1 A 22 22 GLY H H 14 7.679 8.039 -0.360 1
1 253 . 13 1 1 A 22 22 GLY HA2 H 14 2.802 3.861 -1.059 1
1 254 . 13 1 1 A 22 22 GLY HA3 H 14 3.715 4.023 -0.308 1
1 255 . 13 1 1 A 22 22 GLY C C 14 175.108 173.633 1.475 1
1 256 . 13 1 1 A 22 22 GLY CA C 14 46.131 46.593 -0.462 1
1 257 . 13 1 1 A 22 22 GLY N N 14 109.901 110.506 -0.605 1
1 258 . 13 1 1 A 23 23 TRP H H 15 8.817 8.335 0.482 1
1 259 . 13 1 1 A 23 23 TRP HA H 15 4.724 5.727 -1.003 1
1 268 . 13 1 1 A 23 23 TRP C C 15 176.569 175.380 1.189 1
1 269 . 13 1 1 A 23 23 TRP CA C 15 56.897 54.947 1.950 1
1 270 . 13 1 1 A 23 23 TRP CB C 15 29.825 32.975 -3.150 1
1 275 . 13 1 1 A 23 23 TRP N N 15 126.927 122.826 4.101 1
1 277 . 13 1 1 A 24 24 GLN H H 16 8.931 8.595 0.336 1
1 278 . 13 1 1 A 24 24 GLN HA H 16 5.186 4.312 0.874 1
1 285 . 13 1 1 A 24 24 GLN CA C 16 52.369 51.803 0.566 1
1 286 . 13 1 1 A 24 24 GLN CB C 16 31.536 30.644 0.892 1
1 288 . 13 1 1 A 24 24 GLN N N 16 122.710 120.519 2.191 1
1 290 . 13 1 1 A 25 25 PRO HA H 17 4.206 5.226 -1.020 1
1 297 . 13 1 1 A 25 25 PRO C C 17 176.918 176.312 0.606 1
1 298 . 13 1 1 A 25 25 PRO CA C 17 62.894 62.501 0.393 1
1 299 . 13 1 1 A 25 25 PRO CB C 17 31.444 31.755 -0.311 1
1 302 . 13 1 1 A 26 26 ARG H H 18 9.041 8.505 0.536 1
1 303 . 13 1 1 A 26 26 ARG HA H 18 4.857 4.870 -0.013 1
1 310 . 13 1 1 A 26 26 ARG C C 18 173.102 174.674 -1.572 1
1 311 . 13 1 1 A 26 26 ARG CA C 18 53.273 54.300 -1.027 1
1 312 . 13 1 1 A 26 26 ARG CB C 18 34.254 34.824 -0.570 1
1 315 . 13 1 1 A 26 26 ARG N N 18 123.602 122.495 1.107 1
1 316 . 13 1 1 A 27 27 TRP H H 19 8.375 8.446 -0.071 1
1 317 . 13 1 1 A 27 27 TRP HA H 19 5.077 5.287 -0.210 1
1 326 . 13 1 1 A 27 27 TRP C C 19 174.728 174.877 -0.149 1
1 327 . 13 1 1 A 27 27 TRP CA C 19 56.157 56.822 -0.665 1
1 328 . 13 1 1 A 27 27 TRP CB C 19 31.116 31.520 -0.404 1
1 334 . 13 1 1 A 27 27 TRP N N 19 121.669 124.600 -2.931 1
1 336 . 13 1 1 A 28 28 PHE H H 20 9.016 9.414 -0.398 1
1 337 . 13 1 1 A 28 28 PHE HA H 20 5.385 5.330 0.055 1
1 345 . 13 1 1 A 28 28 PHE C C 20 174.685 174.570 0.115 1
1 346 . 13 1 1 A 28 28 PHE CA C 20 56.699 56.235 0.464 1
1 347 . 13 1 1 A 28 28 PHE CB C 20 43.155 42.719 0.436 1
1 353 . 13 1 1 A 28 28 PHE N N 20 128.520 126.153 2.367 1
1 354 . 13 1 1 A 29 29 VAL H H 21 9.058 9.299 -0.241 1
1 355 . 13 1 1 A 29 29 VAL HA H 21 4.681 5.136 -0.455 1
1 363 . 13 1 1 A 29 29 VAL C C 21 174.804 173.952 0.852 1
1 364 . 13 1 1 A 29 29 VAL CA C 21 61.719 59.849 1.870 1
1 365 . 13 1 1 A 29 29 VAL CB C 21 36.416 35.955 0.461 1
1 368 . 13 1 1 A 29 29 VAL N N 21 117.562 116.319 1.243 1
1 369 . 13 1 1 A 30 30 LEU H H 22 9.543 8.949 0.594 1
1 370 . 13 1 1 A 30 30 LEU HA H 22 5.311 5.205 0.106 1
1 380 . 13 1 1 A 30 30 LEU C C 22 173.506 174.756 -1.250 1
1 381 . 13 1 1 A 30 30 LEU CA C 22 53.213 54.006 -0.793 1
1 382 . 13 1 1 A 30 30 LEU CB C 22 44.939 44.083 0.856 1
1 386 . 13 1 1 A 30 30 LEU N N 22 131.939 127.238 4.701 1
1 387 . 13 1 1 A 31 31 ASP H H 23 8.513 9.268 -0.755 1
1 388 . 13 1 1 A 31 31 ASP HA H 23 5.151 5.494 -0.343 1
1 391 . 13 1 1 A 31 31 ASP C C 23 176.940 175.838 1.102 1
1 392 . 13 1 1 A 31 31 ASP CA C 23 53.671 52.604 1.067 1
1 393 . 13 1 1 A 31 31 ASP CB C 23 43.770 42.680 1.090 1
1 394 . 13 1 1 A 31 31 ASP N N 23 121.978 125.257 -3.279 1
1 395 . 13 1 1 A 32 32 ASN H H 24 9.280 9.042 0.238 1
1 396 . 13 1 1 A 32 32 ASN HA H 24 4.421 4.397 0.024 1
1 401 . 13 1 1 A 32 32 ASN C C 24 175.044 174.469 0.575 1
1 402 . 13 1 1 A 32 32 ASN CA C 24 54.362 54.099 0.263 1
1 403 . 13 1 1 A 32 32 ASN CB C 24 37.804 37.610 0.194 1
1 404 . 13 1 1 A 32 32 ASN N N 24 125.653 118.685 6.968 1
1 406 . 13 1 1 A 33 33 GLY H H 25 8.997 8.131 0.866 1
1 407 . 13 1 1 A 33 33 GLY HA2 H 25 3.581 3.849 -0.268 1
1 408 . 13 1 1 A 33 33 GLY HA3 H 25 4.154 3.851 0.303 1
1 409 . 13 1 1 A 33 33 GLY C C 25 173.215 173.594 -0.379 1
1 410 . 13 1 1 A 33 33 GLY CA C 25 45.930 45.556 0.374 1
1 411 . 13 1 1 A 33 33 GLY N N 25 102.623 105.046 -2.423 1
1 412 . 13 1 1 A 34 34 ILE H H 26 7.955 7.765 0.190 1
1 413 . 13 1 1 A 34 34 ILE HA H 26 4.771 4.474 0.297 1
1 423 . 13 1 1 A 34 34 ILE C C 26 174.753 174.074 0.679 1
1 424 . 13 1 1 A 34 34 ILE CA C 26 59.201 60.127 -0.926 1
1 425 . 13 1 1 A 34 34 ILE CB C 26 39.393 40.463 -1.070 1
1 429 . 13 1 1 A 34 34 ILE N N 26 122.350 123.173 -0.823 1
1 430 . 13 1 1 A 35 35 LEU H H 27 9.274 9.283 -0.009 1
1 431 . 13 1 1 A 35 35 LEU HA H 27 5.441 5.120 0.321 1
1 441 . 13 1 1 A 35 35 LEU C C 27 175.131 175.361 -0.230 1
1 442 . 13 1 1 A 35 35 LEU CA C 27 53.160 53.674 -0.514 1
1 443 . 13 1 1 A 35 35 LEU CB C 27 44.532 44.628 -0.096 1
1 447 . 13 1 1 A 35 35 LEU N N 27 132.013 130.777 1.236 1
1 448 . 13 1 1 A 36 36 SER H H 28 9.668 9.349 0.319 1
1 449 . 13 1 1 A 36 36 SER HA H 28 5.379 5.299 0.080 1
1 452 . 13 1 1 A 36 36 SER C C 28 171.968 173.117 -1.149 1
1 453 . 13 1 1 A 36 36 SER CA C 28 57.345 56.606 0.739 1
1 454 . 13 1 1 A 36 36 SER CB C 28 66.044 65.071 0.973 1
1 455 . 13 1 1 A 36 36 SER N N 28 123.682 121.864 1.818 1
1 456 . 13 1 1 A 37 37 TYR H H 29 7.452 8.144 -0.692 1
1 457 . 13 1 1 A 37 37 TYR HA H 29 5.658 5.139 0.519 1
1 464 . 13 1 1 A 37 37 TYR C C 29 172.731 173.838 -1.107 1
1 465 . 13 1 1 A 37 37 TYR CA C 29 54.632 55.335 -0.703 1
1 466 . 13 1 1 A 37 37 TYR CB C 29 39.599 40.882 -1.283 1
1 471 . 13 1 1 A 37 37 TYR N N 29 115.554 118.992 -3.438 1
1 472 . 13 1 1 A 38 38 TYR H H 30 9.116 8.897 0.219 1
1 473 . 13 1 1 A 38 38 TYR HA H 30 4.626 4.972 -0.346 1
1 480 . 13 1 1 A 38 38 TYR C C 30 175.771 175.325 0.446 1
1 481 . 13 1 1 A 38 38 TYR CA C 30 56.194 56.527 -0.333 1
1 482 . 13 1 1 A 38 38 TYR CB C 30 43.253 43.355 -0.102 1
1 487 . 13 1 1 A 38 38 TYR N N 30 117.937 119.055 -1.118 1
1 488 . 13 1 1 A 39 39 ASP H H 31 9.474 9.708 -0.234 1
1 489 . 13 1 1 A 39 39 ASP HA H 31 4.624 4.595 0.029 1
1 492 . 13 1 1 A 39 39 ASP C C 31 176.264 175.712 0.552 1
1 493 . 13 1 1 A 39 39 ASP CA C 31 58.144 56.217 1.927 1
1 494 . 13 1 1 A 39 39 ASP CB C 31 40.399 41.987 -1.588 1
1 495 . 13 1 1 A 39 39 ASP N N 31 121.988 122.426 -0.438 1
1 496 . 13 1 1 A 40 40 SER H H 32 7.511 7.695 -0.184 1
1 497 . 13 1 1 A 40 40 SER HA H 32 4.567 4.623 -0.056 1
1 500 . 13 1 1 A 40 40 SER C C 32 173.752 173.866 -0.114 1
1 501 . 13 1 1 A 40 40 SER CA C 32 57.211 56.443 0.768 1
1 502 . 13 1 1 A 40 40 SER CB C 32 65.547 64.678 0.869 1
1 503 . 13 1 1 A 40 40 SER N N 32 107.441 112.029 -4.588 1
1 504 . 13 1 1 A 41 41 GLN H H 33 8.828 8.504 0.324 1
1 505 . 13 1 1 A 41 41 GLN HA H 33 2.511 2.956 -0.445 1
1 512 . 13 1 1 A 41 41 GLN C C 33 177.001 176.366 0.635 1
1 513 . 13 1 1 A 41 41 GLN CA C 33 58.261 58.404 -0.143 1
1 514 . 13 1 1 A 41 41 GLN CB C 33 27.168 28.159 -0.991 1
1 516 . 13 1 1 A 41 41 GLN N N 33 123.170 124.147 -0.977 1
1 518 . 13 1 1 A 42 42 ASP H H 34 7.774 8.129 -0.355 1
1 519 . 13 1 1 A 42 42 ASP HA H 34 4.289 4.269 0.020 1
1 522 . 13 1 1 A 42 42 ASP C C 34 176.567 178.219 -1.652 1
1 523 . 13 1 1 A 42 42 ASP CA C 34 55.710 56.606 -0.896 1
1 524 . 13 1 1 A 42 42 ASP CB C 34 40.459 41.381 -0.922 1
1 525 . 13 1 1 A 42 42 ASP N N 34 116.558 119.707 -3.149 1
1 526 . 13 1 1 A 43 43 ASP H H 35 7.388 7.975 -0.587 1
1 527 . 13 1 1 A 43 43 ASP HA H 35 4.755 4.379 0.376 1
1 530 . 13 1 1 A 43 43 ASP C C 35 177.129 178.628 -1.499 1
1 531 . 13 1 1 A 43 43 ASP CA C 35 54.563 56.207 -1.644 1
1 532 . 13 1 1 A 43 43 ASP CB C 35 42.434 41.448 0.986 1
1 533 . 13 1 1 A 43 43 ASP N N 35 117.173 119.315 -2.142 1
1 534 . 13 1 1 A 44 44 VAL H H 36 7.063 7.642 -0.579 1
1 535 . 13 1 1 A 44 44 VAL HA H 36 3.372 1.635 1.737 1
1 543 . 13 1 1 A 44 44 VAL C C 36 178.169 177.908 0.261 1
1 544 . 13 1 1 A 44 44 VAL CA C 36 65.325 65.572 -0.247 1
1 545 . 13 1 1 A 44 44 VAL CB C 36 31.179 30.855 0.324 1
1 548 . 13 1 1 A 44 44 VAL N N 36 121.695 118.941 2.754 1
1 549 . 13 1 1 A 45 45 CYS H H 37 8.133 7.741 0.392 1
1 550 . 13 1 1 A 45 45 CYS HA H 37 4.425 4.262 0.163 1
1 553 . 13 1 1 A 45 45 CYS C C 37 175.083 177.296 -2.213 1
1 554 . 13 1 1 A 45 45 CYS CA C 37 59.202 61.609 -2.407 1
1 555 . 13 1 1 A 45 45 CYS CB C 37 27.101 26.268 0.833 1
1 556 . 13 1 1 A 45 45 CYS N N 37 115.191 117.848 -2.657 1
1 557 . 13 1 1 A 46 46 LYS H H 38 7.844 7.333 0.511 1
1 558 . 13 1 1 A 46 46 LYS HA H 38 4.428 4.066 0.362 1
1 567 . 13 1 1 A 46 46 LYS C C 38 177.049 177.329 -0.280 1
1 568 . 13 1 1 A 46 46 LYS CA C 38 56.787 57.109 -0.322 1
1 569 . 13 1 1 A 46 46 LYS CB C 38 33.119 32.904 0.215 1
1 573 . 13 1 1 A 46 46 LYS N N 38 121.496 117.732 3.764 1
1 574 . 13 1 1 A 47 47 GLY H H 39 7.759 7.767 -0.008 1
1 575 . 13 1 1 A 47 47 GLY HA2 H 39 4.022 4.093 -0.071 1
1 576 . 13 1 1 A 47 47 GLY HA3 H 39 4.542 4.147 0.395 1
1 577 . 13 1 1 A 47 47 GLY C C 39 173.037 173.112 -0.075 1
1 578 . 13 1 1 A 47 47 GLY CA C 39 44.261 44.656 -0.395 1
1 579 . 13 1 1 A 47 47 GLY N N 39 107.270 106.668 0.602 1
1 580 . 13 1 1 A 48 48 SER H H 40 8.478 8.513 -0.035 1
1 581 . 13 1 1 A 48 48 SER HA H 40 3.783 4.977 -1.194 1
1 584 . 13 1 1 A 48 48 SER C C 40 175.221 175.143 0.078 1
1 585 . 13 1 1 A 48 48 SER CA C 40 57.947 57.592 0.355 1
1 586 . 13 1 1 A 48 48 SER CB C 40 63.811 64.013 -0.202 1
1 587 . 13 1 1 A 48 48 SER N N 40 116.121 116.855 -0.734 1
1 588 . 13 1 1 A 49 49 LYS H H 41 8.394 8.861 -0.467 1
1 589 . 13 1 1 A 49 49 LYS HA H 41 4.188 4.550 -0.362 1
1 598 . 13 1 1 A 49 49 LYS C C 41 176.470 176.452 0.018 1
1 599 . 13 1 1 A 49 49 LYS CA C 41 55.331 55.418 -0.087 1
1 600 . 13 1 1 A 49 49 LYS CB C 41 32.293 32.645 -0.352 1
1 604 . 13 1 1 A 49 49 LYS N N 41 120.990 122.730 -1.740 1
1 605 . 13 1 1 A 50 50 GLY H H 42 6.747 7.538 -0.791 1
1 606 . 13 1 1 A 50 50 GLY HA2 H 42 3.531 4.051 -0.520 1
1 607 . 13 1 1 A 50 50 GLY HA3 H 42 3.884 4.073 -0.189 1
1 608 . 13 1 1 A 50 50 GLY C C 42 170.967 173.812 -2.845 1
1 609 . 13 1 1 A 50 50 GLY CA C 42 45.060 46.076 -1.016 1
1 610 . 13 1 1 A 50 50 GLY N N 42 106.048 107.978 -1.930 1
1 611 . 13 1 1 A 51 51 SER H H 43 8.158 7.636 0.522 1
1 612 . 13 1 1 A 51 51 SER HA H 43 5.343 3.927 1.416 1
1 615 . 13 1 1 A 51 51 SER C C 43 172.787 172.624 0.163 1
1 616 . 13 1 1 A 51 51 SER CA C 43 57.639 60.368 -2.729 1
1 617 . 13 1 1 A 51 51 SER CB C 43 65.897 61.810 4.087 1
1 618 . 13 1 1 A 51 51 SER N N 43 113.080 112.446 0.634 1
1 619 . 13 1 1 A 52 52 ILE H H 44 9.306 9.207 0.099 1
1 620 . 13 1 1 A 52 52 ILE HA H 44 4.203 4.624 -0.421 1
1 630 . 13 1 1 A 52 52 ILE C C 44 174.340 174.549 -0.209 1
1 631 . 13 1 1 A 52 52 ILE CA C 44 60.326 60.324 0.002 1
1 632 . 13 1 1 A 52 52 ILE CB C 44 42.302 39.973 2.329 1
1 636 . 13 1 1 A 52 52 ILE N N 44 123.385 123.705 -0.320 1
1 637 . 13 1 1 A 53 53 LYS H H 45 8.495 8.700 -0.205 1
1 638 . 13 1 1 A 53 53 LYS HA H 45 4.444 4.546 -0.102 1
1 647 . 13 1 1 A 53 53 LYS C C 45 176.283 176.471 -0.188 1
1 648 . 13 1 1 A 53 53 LYS CA C 45 56.255 56.143 0.112 1
1 649 . 13 1 1 A 53 53 LYS CB C 45 32.258 32.197 0.061 1
1 653 . 13 1 1 A 53 53 LYS N N 45 127.498 129.039 -1.541 1
1 654 . 13 1 1 A 54 54 MET H H 46 8.190 8.219 -0.029 1
1 655 . 13 1 1 A 54 54 MET HA H 46 4.585 4.117 0.468 1
1 663 . 13 1 1 A 54 54 MET C C 46 178.779 177.960 0.819 1
1 664 . 13 1 1 A 54 54 MET CA C 46 55.549 58.440 -2.891 1
1 665 . 13 1 1 A 54 54 MET CB C 46 29.465 31.554 -2.089 1
1 668 . 13 1 1 A 54 54 MET N N 46 123.817 124.619 -0.802 1
1 669 . 13 1 1 A 55 55 ALA H H 47 8.860 7.778 1.082 1
1 670 . 13 1 1 A 55 55 ALA HA H 47 4.142 4.143 -0.001 1
1 674 . 13 1 1 A 55 55 ALA C C 47 178.752 177.776 0.976 1
1 675 . 13 1 1 A 55 55 ALA CA C 47 55.004 54.344 0.660 1
1 676 . 13 1 1 A 55 55 ALA CB C 47 19.312 18.415 0.897 1
1 677 . 13 1 1 A 55 55 ALA N N 47 119.194 120.708 -1.514 1
1 678 . 13 1 1 A 56 56 VAL H H 48 7.127 8.454 -1.327 1
1 679 . 13 1 1 A 56 56 VAL HA H 48 4.592 4.396 0.196 1
1 687 . 13 1 1 A 56 56 VAL C C 48 174.965 175.107 -0.142 1
1 688 . 13 1 1 A 56 56 VAL CA C 48 60.038 61.376 -1.338 1
1 689 . 13 1 1 A 56 56 VAL CB C 48 31.878 33.526 -1.648 1
1 692 . 13 1 1 A 56 56 VAL N N 48 105.989 116.498 -10.509 1
1 693 . 13 1 1 A 57 57 CYS H H 49 7.414 7.546 -0.132 1
1 694 . 13 1 1 A 57 57 CYS HA H 49 4.897 5.243 -0.346 1
1 697 . 13 1 1 A 57 57 CYS C C 49 173.836 173.701 0.135 1
1 698 . 13 1 1 A 57 57 CYS CA C 49 58.123 57.418 0.705 1
1 699 . 13 1 1 A 57 57 CYS CB C 49 30.078 29.872 0.206 1
1 700 . 13 1 1 A 57 57 CYS N N 49 119.973 120.101 -0.128 1
1 701 . 13 1 1 A 58 58 GLU H H 50 8.852 9.204 -0.352 1
1 702 . 13 1 1 A 58 58 GLU HA H 50 4.674 4.764 -0.090 1
1 707 . 13 1 1 A 58 58 GLU C C 50 175.085 175.139 -0.054 1
1 708 . 13 1 1 A 58 58 GLU CA C 50 54.809 56.170 -1.361 1
1 709 . 13 1 1 A 58 58 GLU CB C 50 31.856 30.861 0.995 1
1 711 . 13 1 1 A 58 58 GLU N N 50 124.719 125.422 -0.703 1
1 712 . 13 1 1 A 59 59 ILE H H 51 8.731 8.807 -0.076 1
1 713 . 13 1 1 A 59 59 ILE HA H 51 4.625 4.815 -0.190 1
1 723 . 13 1 1 A 59 59 ILE C C 51 175.513 174.289 1.224 1
1 724 . 13 1 1 A 59 59 ILE CA C 51 60.675 60.220 0.455 1
1 725 . 13 1 1 A 59 59 ILE CB C 51 39.717 39.896 -0.179 1
1 729 . 13 1 1 A 59 59 ILE N N 51 124.286 125.459 -1.173 1
1 730 . 13 1 1 A 60 60 LYS H H 52 9.212 9.307 -0.095 1
1 731 . 13 1 1 A 60 60 LYS HA H 52 4.829 4.713 0.116 1
1 740 . 13 1 1 A 60 60 LYS C C 52 175.594 175.344 0.250 1
1 741 . 13 1 1 A 60 60 LYS CA C 52 54.490 56.019 -1.529 1
1 742 . 13 1 1 A 60 60 LYS CB C 52 34.908 32.886 2.022 1
1 746 . 13 1 1 A 60 60 LYS N N 52 128.004 129.128 -1.124 1
1 747 . 13 1 1 A 61 61 VAL H H 53 8.776 8.785 -0.009 1
1 748 . 13 1 1 A 61 61 VAL HA H 53 4.087 4.832 -0.745 1
1 756 . 13 1 1 A 61 61 VAL C C 53 175.262 175.158 0.104 1
1 757 . 13 1 1 A 61 61 VAL CA C 53 62.067 61.689 0.378 1
1 758 . 13 1 1 A 61 61 VAL CB C 53 33.296 34.035 -0.739 1
1 761 . 13 1 1 A 61 61 VAL N N 53 124.000 124.064 -0.064 1
1 762 . 13 1 1 A 62 62 HIS H H 54 7.677 8.867 -1.190 1
1 763 . 13 1 1 A 62 62 HIS HA H 54 4.456 4.804 -0.348 1
1 766 . 13 1 1 A 62 62 HIS C C 54 176.465 176.471 -0.006 1
1 767 . 13 1 1 A 62 62 HIS CA C 54 57.986 57.112 0.874 1
1 768 . 13 1 1 A 62 62 HIS CB C 54 32.369 32.060 0.309 1
1 769 . 13 1 1 A 62 62 HIS N N 54 127.177 126.823 0.354 1
1 770 . 13 1 1 A 63 63 SER H H 55 8.552 8.321 0.231 1
1 771 . 13 1 1 A 63 63 SER HA H 55 4.251 4.216 0.035 1
1 774 . 13 1 1 A 63 63 SER C C 55 174.509 173.997 0.512 1
1 775 . 13 1 1 A 63 63 SER CA C 55 60.312 62.033 -1.721 1
1 776 . 13 1 1 A 63 63 SER CB C 55 63.609 63.285 0.324 1
1 777 . 13 1 1 A 63 63 SER N N 55 120.508 115.341 5.167 1
1 778 . 13 1 1 A 64 64 ALA H H 56 8.807 7.951 0.856 1
1 779 . 13 1 1 A 64 64 ALA HA H 56 4.553 3.946 0.607 1
1 783 . 13 1 1 A 64 64 ALA C C 56 176.763 175.988 0.775 1
1 784 . 13 1 1 A 64 64 ALA CA C 56 53.183 53.110 0.073 1
1 785 . 13 1 1 A 64 64 ALA CB C 56 20.619 16.987 3.632 1
1 786 . 13 1 1 A 64 64 ALA N N 56 124.728 121.658 3.070 1
1 787 . 13 1 1 A 65 65 ASP H H 57 8.762 7.879 0.883 1
1 788 . 13 1 1 A 65 65 ASP HA H 57 4.689 4.704 -0.015 1
1 791 . 13 1 1 A 65 65 ASP C C 57 176.322 175.187 1.135 1
1 792 . 13 1 1 A 65 65 ASP CA C 57 52.911 52.866 0.045 1
1 793 . 13 1 1 A 65 65 ASP CB C 57 41.216 42.706 -1.490 1
1 794 . 13 1 1 A 65 65 ASP N N 57 120.574 116.439 4.135 1
1 795 . 13 1 1 A 66 66 ASN H H 58 8.457 8.631 -0.174 1
1 796 . 13 1 1 A 66 66 ASN HA H 58 4.580 4.678 -0.098 1
1 801 . 13 1 1 A 66 66 ASN C C 58 174.296 175.958 -1.662 1
1 802 . 13 1 1 A 66 66 ASN CA C 58 54.146 52.892 1.254 1
1 803 . 13 1 1 A 66 66 ASN CB C 58 37.538 38.815 -1.277 1
1 804 . 13 1 1 A 66 66 ASN N N 58 122.233 121.012 1.221 1
1 806 . 13 1 1 A 67 67 THR H H 59 8.411 8.086 0.325 1
1 807 . 13 1 1 A 67 67 THR HA H 59 4.284 3.985 0.299 1
1 812 . 13 1 1 A 67 67 THR C C 59 175.932 173.401 2.531 1
1 813 . 13 1 1 A 67 67 THR CA C 59 62.159 63.117 -0.958 1
1 814 . 13 1 1 A 67 67 THR CB C 59 70.025 66.579 3.446 1
1 816 . 13 1 1 A 67 67 THR N N 59 104.777 118.360 -13.583 1
1 817 . 13 1 1 A 68 68 ARG H H 60 7.589 7.533 0.056 1
1 818 . 13 1 1 A 68 68 ARG HA H 60 5.044 4.638 0.406 1
1 825 . 13 1 1 A 68 68 ARG C C 60 176.482 175.010 1.472 1
1 826 . 13 1 1 A 68 68 ARG CA C 60 56.516 54.869 1.647 1
1 827 . 13 1 1 A 68 68 ARG CB C 60 34.348 31.388 2.960 1
1 830 . 13 1 1 A 68 68 ARG N N 60 122.336 121.289 1.047 1
1 831 . 13 1 1 A 69 69 MET H H 61 9.018 8.020 0.998 1
1 832 . 13 1 1 A 69 69 MET HA H 61 4.997 5.226 -0.229 1
1 840 . 13 1 1 A 69 69 MET C C 61 172.463 174.401 -1.938 1
1 841 . 13 1 1 A 69 69 MET CA C 61 55.330 53.726 1.604 1
1 842 . 13 1 1 A 69 69 MET CB C 61 37.234 37.429 -0.195 1
1 845 . 13 1 1 A 69 69 MET N N 61 119.640 123.197 -3.557 1
1 846 . 13 1 1 A 70 70 GLU H H 62 8.996 8.378 0.618 1
1 847 . 13 1 1 A 70 70 GLU HA H 62 5.365 5.072 0.293 1
1 852 . 13 1 1 A 70 70 GLU C C 62 173.523 174.804 -1.281 1
1 853 . 13 1 1 A 70 70 GLU CA C 62 54.326 54.814 -0.488 1
1 854 . 13 1 1 A 70 70 GLU CB C 62 33.915 33.555 0.360 1
1 856 . 13 1 1 A 70 70 GLU N N 62 122.200 123.439 -1.239 1
1 857 . 13 1 1 A 71 71 LEU H H 63 8.763 9.338 -0.575 1
1 858 . 13 1 1 A 71 71 LEU HA H 63 5.222 5.136 0.086 1
1 868 . 13 1 1 A 71 71 LEU C C 63 175.719 174.992 0.727 1
1 869 . 13 1 1 A 71 71 LEU CA C 63 53.222 53.631 -0.409 1
1 870 . 13 1 1 A 71 71 LEU CB C 63 43.781 43.069 0.712 1
1 874 . 13 1 1 A 71 71 LEU N N 63 123.741 127.052 -3.311 1
1 875 . 13 1 1 A 72 72 ILE H H 64 9.006 9.294 -0.288 1
1 876 . 13 1 1 A 72 72 ILE HA H 64 4.316 5.107 -0.791 1
1 886 . 13 1 1 A 72 72 ILE C C 64 175.349 173.396 1.953 1
1 887 . 13 1 1 A 72 72 ILE CA C 64 60.921 60.114 0.807 1
1 888 . 13 1 1 A 72 72 ILE CB C 64 39.919 41.093 -1.174 1
1 892 . 13 1 1 A 72 72 ILE N N 64 123.633 126.629 -2.996 1
1 893 . 13 1 1 A 73 73 ILE H H 65 8.601 9.084 -0.483 1
1 894 . 13 1 1 A 73 73 ILE HA H 65 4.854 4.817 0.037 1
1 904 . 13 1 1 A 73 73 ILE CA C 65 58.440 57.419 1.021 1
1 905 . 13 1 1 A 73 73 ILE CB C 65 39.820 41.063 -1.243 1
1 909 . 13 1 1 A 73 73 ILE N N 65 128.410 129.653 -1.243 1
1 910 . 13 1 1 A 74 74 PRO HA H 66 4.265 4.298 -0.033 1
1 917 . 13 1 1 A 74 74 PRO C C 66 177.170 177.445 -0.275 1
1 918 . 13 1 1 A 74 74 PRO CA C 66 64.500 63.967 0.533 1
1 919 . 13 1 1 A 74 74 PRO CB C 66 31.826 31.377 0.449 1
1 922 . 13 1 1 A 75 75 GLY H H 67 8.704 8.777 -0.073 1
1 923 . 13 1 1 A 75 75 GLY HA2 H 67 3.753 3.973 -0.220 1
1 924 . 13 1 1 A 75 75 GLY HA3 H 67 4.251 3.985 0.266 1
1 925 . 13 1 1 A 75 75 GLY C C 67 174.192 175.188 -0.996 1
1 926 . 13 1 1 A 75 75 GLY CA C 67 45.479 45.728 -0.249 1
1 927 . 13 1 1 A 75 75 GLY N N 67 111.825 112.582 -0.757 1
1 928 . 13 1 1 A 76 76 GLU H H 68 8.258 8.231 0.027 1
1 929 . 13 1 1 A 76 76 GLU HA H 68 4.483 4.448 0.035 1
1 934 . 13 1 1 A 76 76 GLU C C 68 175.838 177.079 -1.241 1
1 935 . 13 1 1 A 76 76 GLU CA C 68 56.178 57.827 -1.649 1
1 936 . 13 1 1 A 76 76 GLU CB C 68 31.066 30.883 0.183 1
1 938 . 13 1 1 A 76 76 GLU N N 68 118.446 120.100 -1.654 1
1 939 . 13 1 1 A 77 77 GLN H H 69 8.102 8.332 -0.230 1
1 940 . 13 1 1 A 77 77 GLN HA H 69 4.556 4.516 0.040 1
1 947 . 13 1 1 A 77 77 GLN C C 69 175.179 175.398 -0.219 1
1 948 . 13 1 1 A 77 77 GLN CA C 69 55.633 56.932 -1.299 1
1 949 . 13 1 1 A 77 77 GLN CB C 69 31.116 29.075 2.041 1
1 951 . 13 1 1 A 77 77 GLN N N 69 117.826 119.429 -1.603 1
1 953 . 13 1 1 A 78 78 HIS H H 70 8.857 8.939 -0.082 1
1 954 . 13 1 1 A 78 78 HIS HA H 70 4.923 4.135 0.788 1
1 957 . 13 1 1 A 78 78 HIS C C 70 173.113 173.714 -0.601 1
1 958 . 13 1 1 A 78 78 HIS CA C 70 54.623 56.654 -2.031 1
1 959 . 13 1 1 A 78 78 HIS CB C 70 30.231 28.075 2.156 1
1 960 . 13 1 1 A 78 78 HIS N N 70 120.752 118.649 2.103 1
1 961 . 13 1 1 A 79 79 PHE H H 71 9.120 7.225 1.895 1
1 962 . 13 1 1 A 79 79 PHE HA H 71 4.797 4.929 -0.132 1
1 967 . 13 1 1 A 79 79 PHE C C 71 174.341 173.750 0.591 1
1 968 . 13 1 1 A 79 79 PHE CA C 71 56.191 56.329 -0.138 1
1 969 . 13 1 1 A 79 79 PHE CB C 71 40.983 40.289 0.694 1
1 970 . 13 1 1 A 79 79 PHE N N 71 124.577 118.512 6.065 1
1 971 . 13 1 1 A 80 80 TYR H H 72 8.883 9.031 -0.148 1
1 972 . 13 1 1 A 80 80 TYR HA H 72 5.142 5.156 -0.014 1
1 979 . 13 1 1 A 80 80 TYR C C 72 175.115 173.894 1.221 1
1 980 . 13 1 1 A 80 80 TYR CA C 72 57.353 56.481 0.872 1
1 981 . 13 1 1 A 80 80 TYR CB C 72 39.753 41.668 -1.915 1
1 986 . 13 1 1 A 80 80 TYR N N 72 124.010 125.330 -1.320 1
1 987 . 13 1 1 A 81 81 MET H H 73 8.824 8.255 0.569 1
1 988 . 13 1 1 A 81 81 MET HA H 73 5.983 5.076 0.907 1
1 996 . 13 1 1 A 81 81 MET C C 73 175.053 174.653 0.400 1
1 997 . 13 1 1 A 81 81 MET CA C 73 54.453 53.794 0.659 1
1 998 . 13 1 1 A 81 81 MET CB C 73 38.584 35.970 2.614 1
1 1001 . 13 1 1 A 81 81 MET N N 73 120.151 125.293 -5.142 1
1 1002 . 13 1 1 A 82 82 LYS H H 74 9.103 8.687 0.416 1
1 1003 . 13 1 1 A 82 82 LYS HA H 74 4.800 5.111 -0.311 1
1 1012 . 13 1 1 A 82 82 LYS C C 74 174.244 175.706 -1.462 1
1 1013 . 13 1 1 A 82 82 LYS CA C 74 55.314 54.985 0.329 1
1 1014 . 13 1 1 A 82 82 LYS CB C 74 36.251 36.389 -0.138 1
1 1018 . 13 1 1 A 82 82 LYS N N 74 121.097 123.363 -2.266 1
1 1019 . 13 1 1 A 83 83 ALA H H 75 8.740 8.668 0.072 1
1 1020 . 13 1 1 A 83 83 ALA HA H 75 4.786 4.573 0.213 1
1 1024 . 13 1 1 A 83 83 ALA C C 75 177.126 178.250 -1.124 1
1 1025 . 13 1 1 A 83 83 ALA CA C 75 49.893 51.511 -1.618 1
1 1026 . 13 1 1 A 83 83 ALA CB C 75 21.311 19.875 1.436 1
1 1027 . 13 1 1 A 83 83 ALA N N 75 126.624 128.189 -1.565 1
1 1028 . 13 1 1 A 84 84 VAL H H 76 9.105 8.671 0.434 1
1 1029 . 13 1 1 A 84 84 VAL HA H 76 3.835 3.835 0.000 1
1 1037 . 13 1 1 A 84 84 VAL C C 76 175.635 176.017 -0.382 1
1 1038 . 13 1 1 A 84 84 VAL CA C 76 64.888 65.568 -0.680 1
1 1039 . 13 1 1 A 84 84 VAL CB C 76 32.097 32.210 -0.113 1
1 1042 . 13 1 1 A 84 84 VAL N N 76 115.195 118.912 -3.717 1
1 1043 . 13 1 1 A 85 85 ASN H H 77 7.278 8.069 -0.791 1
1 1044 . 13 1 1 A 85 85 ASN HA H 77 4.476 5.059 -0.583 1
1 1049 . 13 1 1 A 85 85 ASN C C 77 174.796 175.600 -0.804 1
1 1050 . 13 1 1 A 85 85 ASN CA C 77 52.193 51.429 0.764 1
1 1051 . 13 1 1 A 85 85 ASN CB C 77 39.702 41.245 -1.543 1
1 1052 . 13 1 1 A 85 85 ASN N N 77 109.430 115.381 -5.951 1
1 1054 . 13 1 1 A 86 86 ALA H H 78 8.681 8.902 -0.221 1
1 1055 . 13 1 1 A 86 86 ALA HA H 78 4.195 4.024 0.171 1
1 1059 . 13 1 1 A 86 86 ALA C C 78 180.157 179.993 0.164 1
1 1060 . 13 1 1 A 86 86 ALA CA C 78 54.919 55.467 -0.548 1
1 1061 . 13 1 1 A 86 86 ALA CB C 78 18.721 18.296 0.425 1
1 1062 . 13 1 1 A 86 86 ALA N N 78 121.886 122.721 -0.835 1
1 1063 . 13 1 1 A 87 87 ALA H H 79 8.386 8.218 0.168 1
1 1064 . 13 1 1 A 87 87 ALA HA H 79 4.200 4.001 0.199 1
1 1068 . 13 1 1 A 87 87 ALA C C 79 181.167 180.262 0.905 1
1 1069 . 13 1 1 A 87 87 ALA CA C 79 55.195 55.243 -0.048 1
1 1070 . 13 1 1 A 87 87 ALA CB C 79 17.663 18.442 -0.779 1
1 1071 . 13 1 1 A 87 87 ALA N N 79 123.939 119.928 4.011 1
1 1072 . 13 1 1 A 88 88 GLU H H 80 8.743 8.057 0.686 1
1 1073 . 13 1 1 A 88 88 GLU HA H 80 4.260 4.002 0.258 1
1 1078 . 13 1 1 A 88 88 GLU C C 80 178.848 179.285 -0.437 1
1 1079 . 13 1 1 A 88 88 GLU CA C 80 59.191 59.477 -0.286 1
1 1080 . 13 1 1 A 88 88 GLU CB C 80 29.898 29.298 0.600 1
1 1082 . 13 1 1 A 88 88 GLU N N 80 119.694 117.954 1.740 1
1 1083 . 13 1 1 A 89 89 ARG H H 81 7.936 8.123 -0.187 1
1 1084 . 13 1 1 A 89 89 ARG HA H 81 3.780 4.098 -0.318 1
1 1087 . 13 1 1 A 89 89 ARG C C 81 177.596 178.798 -1.202 1
1 1088 . 13 1 1 A 89 89 ARG CA C 81 61.042 59.583 1.459 1
1 1089 . 13 1 1 A 89 89 ARG CB C 81 29.630 29.976 -0.346 1
1 1090 . 13 1 1 A 89 89 ARG N N 81 119.080 120.803 -1.723 1
1 1091 . 13 1 1 A 90 90 GLN H H 82 8.063 8.005 0.058 1
1 1092 . 13 1 1 A 90 90 GLN HA H 82 4.039 4.053 -0.014 1
1 1099 . 13 1 1 A 90 90 GLN C C 82 177.419 178.361 -0.942 1
1 1100 . 13 1 1 A 90 90 GLN CA C 82 59.069 59.076 -0.007 1
1 1101 . 13 1 1 A 90 90 GLN CB C 82 27.786 28.167 -0.381 1
1 1103 . 13 1 1 A 90 90 GLN N N 82 118.390 118.592 -0.202 1
1 1105 . 13 1 1 A 91 91 ARG H H 83 7.700 7.672 0.028 1
1 1106 . 13 1 1 A 91 91 ARG HA H 83 3.961 3.959 0.002 1
1 1114 . 13 1 1 A 91 91 ARG C C 83 180.016 178.975 1.041 1
1 1115 . 13 1 1 A 91 91 ARG CA C 83 59.750 59.571 0.179 1
1 1116 . 13 1 1 A 91 91 ARG CB C 83 30.401 29.728 0.673 1
1 1119 . 13 1 1 A 91 91 ARG N N 83 117.912 118.451 -0.539 1
1 1121 . 13 1 1 A 92 92 TRP H H 84 7.895 7.830 0.065 1
1 1122 . 13 1 1 A 92 92 TRP HA H 84 4.115 4.409 -0.294 1
1 1130 . 13 1 1 A 92 92 TRP C C 84 178.111 179.087 -0.976 1
1 1131 . 13 1 1 A 92 92 TRP CA C 84 61.633 59.297 2.336 1
1 1132 . 13 1 1 A 92 92 TRP CB C 84 29.032 29.376 -0.344 1
1 1137 . 13 1 1 A 92 92 TRP N N 84 119.237 121.219 -1.982 1
1 1139 . 13 1 1 A 93 93 LEU H H 85 8.988 8.809 0.179 1
1 1140 . 13 1 1 A 93 93 LEU HA H 85 3.978 3.999 -0.021 1
1 1150 . 13 1 1 A 93 93 LEU C C 85 180.925 179.654 1.271 1
1 1151 . 13 1 1 A 93 93 LEU CA C 85 58.716 57.944 0.772 1
1 1152 . 13 1 1 A 93 93 LEU CB C 85 41.506 41.209 0.297 1
1 1156 . 13 1 1 A 93 93 LEU N N 85 119.853 120.193 -0.340 1
1 1157 . 13 1 1 A 94 94 VAL H H 86 8.233 8.310 -0.077 1
1 1158 . 13 1 1 A 94 94 VAL HA H 86 3.695 3.507 0.188 1
1 1166 . 13 1 1 A 94 94 VAL C C 86 178.733 177.760 0.973 1
1 1167 . 13 1 1 A 94 94 VAL CA C 86 66.250 66.657 -0.407 1
1 1168 . 13 1 1 A 94 94 VAL CB C 86 31.886 31.505 0.381 1
1 1171 . 13 1 1 A 94 94 VAL N N 86 120.164 120.038 0.126 1
1 1172 . 13 1 1 A 95 95 ALA H H 87 7.345 7.812 -0.467 1
1 1173 . 13 1 1 A 95 95 ALA HA H 87 4.113 4.028 0.085 1
1 1177 . 13 1 1 A 95 95 ALA C C 87 180.055 180.320 -0.265 1
1 1178 . 13 1 1 A 95 95 ALA CA C 87 55.410 55.384 0.026 1
1 1179 . 13 1 1 A 95 95 ALA CB C 87 18.816 18.422 0.394 1
1 1180 . 13 1 1 A 95 95 ALA N N 87 123.818 121.878 1.940 1
1 1181 . 13 1 1 A 96 96 LEU H H 88 9.342 8.757 0.585 1
1 1182 . 13 1 1 A 96 96 LEU HA H 88 4.003 4.021 -0.018 1
1 1192 . 13 1 1 A 96 96 LEU C C 88 179.349 179.610 -0.261 1
1 1193 . 13 1 1 A 96 96 LEU CA C 88 57.786 58.071 -0.285 1
1 1194 . 13 1 1 A 96 96 LEU CB C 88 41.848 41.803 0.045 1
1 1198 . 13 1 1 A 96 96 LEU N N 88 117.857 118.494 -0.637 1
1 1199 . 13 1 1 A 97 97 GLY H H 89 8.252 8.417 -0.165 1
1 1200 . 13 1 1 A 97 97 GLY HA2 H 89 3.819 3.844 -0.025 1
1 1201 . 13 1 1 A 97 97 GLY HA3 H 89 3.948 3.846 0.102 1
1 1202 . 13 1 1 A 97 97 GLY C C 89 176.463 175.925 0.538 1
1 1203 . 13 1 1 A 97 97 GLY CA C 89 46.620 47.380 -0.760 1
1 1204 . 13 1 1 A 97 97 GLY N N 89 105.618 106.577 -0.959 1
1 1205 . 13 1 1 A 98 98 SER H H 90 8.068 7.985 0.083 1
1 1206 . 13 1 1 A 98 98 SER HA H 90 4.377 4.153 0.224 1
1 1209 . 13 1 1 A 98 98 SER C C 90 176.144 176.940 -0.796 1
1 1210 . 13 1 1 A 98 98 SER CA C 90 60.842 61.390 -0.548 1
1 1211 . 13 1 1 A 98 98 SER CB C 90 63.116 62.797 0.319 1
1 1212 . 13 1 1 A 98 98 SER N N 90 117.602 117.421 0.181 1
1 1213 . 13 1 1 A 99 99 SER H H 91 8.036 7.991 0.045 1
1 1214 . 13 1 1 A 99 99 SER HA H 91 4.324 4.188 0.136 1
1 1217 . 13 1 1 A 99 99 SER C C 91 175.818 177.310 -1.492 1
1 1218 . 13 1 1 A 99 99 SER CA C 91 60.720 61.260 -0.540 1
1 1219 . 13 1 1 A 99 99 SER CB C 91 63.831 62.913 0.918 1
1 1220 . 13 1 1 A 99 99 SER N N 91 116.877 115.723 1.154 1
1 1221 . 13 1 1 A 100 100 LYS H H 92 7.838 7.976 -0.138 1
1 1222 . 13 1 1 A 100 100 LYS HA H 92 4.068 4.048 0.020 1
1 1231 . 13 1 1 A 100 100 LYS C C 92 177.235 177.684 -0.449 1
1 1232 . 13 1 1 A 100 100 LYS CA C 92 58.121 59.119 -0.998 1
1 1233 . 13 1 1 A 100 100 LYS CB C 92 32.263 32.006 0.257 1
1 1237 . 13 1 1 A 100 100 LYS N N 92 119.456 121.598 -2.142 1
1 1238 . 13 1 1 A 101 101 ALA H H 93 7.924 7.710 0.214 1
1 1239 . 13 1 1 A 101 101 ALA HA H 93 4.321 4.396 -0.075 1
1 1243 . 13 1 1 A 101 101 ALA C C 93 178.323 177.796 0.527 1
1 1244 . 13 1 1 A 101 101 ALA CA C 93 53.435 52.511 0.924 1
1 1245 . 13 1 1 A 101 101 ALA CB C 93 18.969 18.658 0.311 1
1 1246 . 13 1 1 A 101 101 ALA N N 93 122.054 120.248 1.806 1
1 1247 . 13 1 1 A 102 102 SER H H 94 8.061 8.398 -0.337 1
1 1248 . 13 1 1 A 102 102 SER HA H 94 4.451 4.041 0.410 1
1 1251 . 13 1 1 A 102 102 SER C C 94 174.773 173.460 1.313 1
1 1252 . 13 1 1 A 102 102 SER CA C 94 59.086 59.114 -0.028 1
1 1253 . 13 1 1 A 102 102 SER CB C 94 63.766 61.654 2.112 1
1 1254 . 13 1 1 A 102 102 SER N N 94 114.102 118.396 -4.294 1
1 1255 . 13 1 1 A 103 103 LEU H H 95 8.053 7.962 0.091 1
1 1256 . 13 1 1 A 103 103 LEU HA H 95 4.507 4.718 -0.211 1
1 1266 . 13 1 1 A 103 103 LEU C C 95 177.589 175.713 1.876 1
1 1267 . 13 1 1 A 103 103 LEU CA C 95 55.398 51.994 3.404 1
1 1268 . 13 1 1 A 103 103 LEU CB C 95 42.435 44.499 -2.064 1
1 1272 . 13 1 1 A 103 103 LEU N N 95 123.264 124.504 -1.240 1
1 1273 . 13 1 1 A 104 104 THR H H 96 8.045 8.516 -0.471 1
1 1274 . 13 1 1 A 104 104 THR HA H 96 4.383 4.452 -0.069 1
1 1279 . 13 1 1 A 104 104 THR C C 96 174.128 174.048 0.080 1
1 1280 . 13 1 1 A 104 104 THR CA C 96 61.982 61.112 0.870 1
1 1281 . 13 1 1 A 104 104 THR CB C 96 69.938 71.351 -1.413 1
1 1283 . 13 1 1 A 104 104 THR N N 96 113.833 114.387 -0.554 1
1 1284 . 13 1 1 A 105 105 ASP H H 97 8.346 8.544 -0.198 1
1 1285 . 13 1 1 A 105 105 ASP HA H 97 4.740 4.482 0.258 1
1 1288 . 13 1 1 A 105 105 ASP C C 97 176.310 176.923 -0.613 1
1 1289 . 13 1 1 A 105 105 ASP CA C 97 54.300 54.128 0.172 1
1 1290 . 13 1 1 A 105 105 ASP CB C 97 41.174 41.428 -0.254 1
1 1291 . 13 1 1 A 105 105 ASP N N 97 123.107 122.038 1.069 1
1 1292 . 13 1 1 A 106 106 THR H H 98 8.147 8.785 -0.638 1
1 1293 . 13 1 1 A 106 106 THR HA H 98 4.355 4.070 0.285 1
1 1298 . 13 1 1 A 106 106 THR C C 98 174.523 173.611 0.912 1
1 1299 . 13 1 1 A 106 106 THR CA C 98 61.937 62.873 -0.936 1
1 1300 . 13 1 1 A 106 106 THR CB C 98 69.656 66.464 3.192 1
1 1302 . 13 1 1 A 106 106 THR N N 98 114.857 118.555 -3.698 1
1 1303 . 13 1 1 A 107 107 ARG H H 99 8.385 7.814 0.571 1
1 1304 . 13 1 1 A 107 107 ARG HA H 99 4.442 4.877 -0.435 1
1 1312 . 13 1 1 A 107 107 ARG C C 99 175.764 175.068 0.696 1
1 1313 . 13 1 1 A 107 107 ARG CA C 99 56.311 54.599 1.712 1
1 1314 . 13 1 1 A 107 107 ARG CB C 99 30.745 32.616 -1.871 1
1 1317 . 13 1 1 A 107 107 ARG N N 99 123.999 121.479 2.520 1
1 1 . 14 1 1 A 2 2 PRO HA H -6 4.460 4.828 -0.368 1
1 8 . 14 1 1 A 2 2 PRO C C -6 176.875 176.085 0.790 1
1 9 . 14 1 1 A 2 2 PRO CA C -6 63.159 62.393 0.766 1
1 10 . 14 1 1 A 2 2 PRO CB C -6 32.292 31.777 0.515 1
1 13 . 14 1 1 A 3 3 LEU H H -5 8.483 8.689 -0.206 1
1 14 . 14 1 1 A 3 3 LEU HA H -5 4.334 4.596 -0.262 1
1 24 . 14 1 1 A 3 3 LEU C C -5 177.797 177.083 0.714 1
1 25 . 14 1 1 A 3 3 LEU CA C -5 55.474 53.749 1.725 1
1 26 . 14 1 1 A 3 3 LEU CB C -5 42.239 42.633 -0.394 1
1 30 . 14 1 1 A 3 3 LEU N N -5 122.315 124.084 -1.769 1
1 31 . 14 1 1 A 4 4 GLY H H -4 8.393 8.838 -0.445 1
1 32 . 14 1 1 A 4 4 GLY HA2 H -4 3.978 3.944 0.034 1
1 33 . 14 1 1 A 4 4 GLY HA3 H -4 3.978 3.949 0.029 1
1 34 . 14 1 1 A 4 4 GLY C C -4 173.730 174.293 -0.563 1
1 35 . 14 1 1 A 4 4 GLY CA C -4 45.158 45.504 -0.346 1
1 36 . 14 1 1 A 4 4 GLY N N -4 109.911 115.206 -5.295 1
1 37 . 14 1 1 A 5 5 SER H H -3 8.162 8.171 -0.009 1
1 38 . 14 1 1 A 5 5 SER HA H -3 4.764 4.547 0.217 1
1 41 . 14 1 1 A 5 5 SER CA C -3 56.323 56.947 -0.624 1
1 42 . 14 1 1 A 5 5 SER CB C -3 63.515 63.919 -0.404 1
1 43 . 14 1 1 A 5 5 SER N N -3 116.873 116.147 0.726 1
1 44 . 14 1 1 A 6 6 PRO HA H -2 4.399 4.411 -0.012 1
1 47 . 14 1 1 A 6 6 PRO C C -2 176.587 176.536 0.051 1
1 48 . 14 1 1 A 6 6 PRO CA C -2 63.552 62.346 1.206 1
1 49 . 14 1 1 A 6 6 PRO CB C -2 31.997 31.834 0.163 1
1 50 . 14 1 1 A 7 7 GLU H H -1 8.364 8.211 0.153 1
1 51 . 14 1 1 A 7 7 GLU HA H -1 4.285 4.454 -0.169 1
1 56 . 14 1 1 A 7 7 GLU C C -1 174.954 175.646 -0.692 1
1 57 . 14 1 1 A 7 7 GLU CA C -1 56.486 56.262 0.224 1
1 58 . 14 1 1 A 7 7 GLU CB C -1 29.924 30.324 -0.400 1
1 60 . 14 1 1 A 7 7 GLU N N -1 119.665 120.883 -1.218 1
1 61 . 14 1 1 A 8 8 PHE H H 0 7.872 8.941 -1.069 1
1 62 . 14 1 1 A 8 8 PHE HA H 0 5.204 5.415 -0.211 1
1 67 . 14 1 1 A 8 8 PHE C C 0 174.670 174.051 0.619 1
1 68 . 14 1 1 A 8 8 PHE CA C 0 56.861 56.254 0.607 1
1 69 . 14 1 1 A 8 8 PHE CB C 0 41.874 41.672 0.202 1
1 72 . 14 1 1 A 8 8 PHE N N 0 122.497 122.086 0.411 1
1 73 . 14 1 1 A 9 9 MET H H 1 7.833 8.988 -1.155 1
1 74 . 14 1 1 A 9 9 MET HA H 1 4.095 4.993 -0.898 1
1 82 . 14 1 1 A 9 9 MET C C 1 171.191 174.055 -2.864 1
1 83 . 14 1 1 A 9 9 MET CA C 1 54.613 54.122 0.491 1
1 84 . 14 1 1 A 9 9 MET CB C 1 34.867 35.617 -0.750 1
1 87 . 14 1 1 A 9 9 MET N N 1 127.163 124.362 2.801 1
1 88 . 14 1 1 A 10 10 GLU H H 2 7.698 8.749 -1.051 1
1 89 . 14 1 1 A 10 10 GLU HA H 2 5.603 5.372 0.231 1
1 94 . 14 1 1 A 10 10 GLU C C 2 174.743 174.432 0.311 1
1 95 . 14 1 1 A 10 10 GLU CA C 2 53.345 54.580 -1.235 1
1 96 . 14 1 1 A 10 10 GLU CB C 2 32.408 33.627 -1.219 1
1 98 . 14 1 1 A 10 10 GLU N N 2 118.654 121.242 -2.588 1
1 99 . 14 1 1 A 11 11 GLY H H 3 7.994 7.479 0.515 1
1 100 . 14 1 1 A 11 11 GLY HA2 H 3 3.115 3.535 -0.420 1
1 101 . 14 1 1 A 11 11 GLY HA3 H 3 4.377 4.156 0.221 1
1 102 . 14 1 1 A 11 11 GLY C C 3 170.878 171.799 -0.921 1
1 103 . 14 1 1 A 11 11 GLY CA C 3 45.086 45.257 -0.171 1
1 104 . 14 1 1 A 11 11 GLY N N 3 108.296 106.336 1.960 1
1 105 . 14 1 1 A 12 12 VAL H H 4 8.463 8.642 -0.179 1
1 106 . 14 1 1 A 12 12 VAL HA H 4 4.969 5.680 -0.711 1
1 114 . 14 1 1 A 12 12 VAL C C 4 177.805 174.354 3.451 1
1 115 . 14 1 1 A 12 12 VAL CA C 4 62.373 59.323 3.050 1
1 116 . 14 1 1 A 12 12 VAL CB C 4 33.152 35.123 -1.971 1
1 119 . 14 1 1 A 12 12 VAL N N 4 119.624 116.294 3.330 1
1 120 . 14 1 1 A 13 13 LEU H H 5 8.647 9.016 -0.369 1
1 121 . 14 1 1 A 13 13 LEU HA H 5 4.382 5.157 -0.775 1
1 131 . 14 1 1 A 13 13 LEU C C 5 175.407 176.199 -0.792 1
1 132 . 14 1 1 A 13 13 LEU CA C 5 54.139 53.676 0.463 1
1 133 . 14 1 1 A 13 13 LEU CB C 5 46.374 45.945 0.429 1
1 137 . 14 1 1 A 13 13 LEU N N 5 125.806 122.642 3.164 1
1 138 . 14 1 1 A 14 14 TYR H H 6 9.007 9.531 -0.524 1
1 139 . 14 1 1 A 14 14 TYR HA H 6 5.026 5.377 -0.351 1
1 144 . 14 1 1 A 14 14 TYR C C 6 175.047 175.316 -0.269 1
1 145 . 14 1 1 A 14 14 TYR CA C 6 57.484 58.745 -1.261 1
1 146 . 14 1 1 A 14 14 TYR CB C 6 39.400 37.965 1.435 1
1 147 . 14 1 1 A 14 14 TYR N N 6 118.975 120.959 -1.984 1
1 148 . 14 1 1 A 15 15 LYS H H 7 9.549 9.122 0.427 1
1 149 . 14 1 1 A 15 15 LYS HA H 7 5.467 5.147 0.320 1
1 158 . 14 1 1 A 15 15 LYS C C 7 175.772 176.577 -0.805 1
1 159 . 14 1 1 A 15 15 LYS CA C 7 54.136 55.038 -0.902 1
1 160 . 14 1 1 A 15 15 LYS CB C 7 37.043 34.179 2.864 1
1 164 . 14 1 1 A 15 15 LYS N N 7 123.867 126.561 -2.694 1
1 165 . 14 1 1 A 16 16 TRP H H 8 8.355 9.135 -0.780 1
1 166 . 14 1 1 A 16 16 TRP HA H 8 3.893 4.891 -0.998 1
1 175 . 14 1 1 A 16 16 TRP C C 8 176.038 176.386 -0.348 1
1 176 . 14 1 1 A 16 16 TRP CA C 8 57.880 58.138 -0.258 1
1 177 . 14 1 1 A 16 16 TRP CB C 8 29.347 30.550 -1.203 1
1 183 . 14 1 1 A 16 16 TRP N N 8 129.111 129.333 -0.222 1
1 185 . 14 1 1 A 17 17 THR H H 9 6.754 8.020 -1.266 1
1 186 . 14 1 1 A 17 17 THR HA H 9 4.127 4.420 -0.293 1
1 191 . 14 1 1 A 17 17 THR C C 9 172.153 174.232 -2.079 1
1 192 . 14 1 1 A 17 17 THR CA C 9 61.413 61.925 -0.512 1
1 193 . 14 1 1 A 17 17 THR CB C 9 69.317 69.306 0.011 1
1 195 . 14 1 1 A 17 17 THR N N 9 121.030 118.170 2.860 1
1 196 . 14 1 1 A 18 18 ASN H H 10 7.418 6.988 0.430 1
1 197 . 14 1 1 A 18 18 ASN HA H 10 4.051 5.055 -1.004 1
1 202 . 14 1 1 A 18 18 ASN C C 10 174.308 175.270 -0.962 1
1 203 . 14 1 1 A 18 18 ASN CA C 10 52.089 51.231 0.858 1
1 204 . 14 1 1 A 18 18 ASN CB C 10 39.339 42.385 -3.046 1
1 205 . 14 1 1 A 18 18 ASN N N 10 115.655 116.823 -1.168 1
1 207 . 14 1 1 A 19 19 TYR H H 11 8.348 9.221 -0.873 1
1 208 . 14 1 1 A 19 19 TYR HA H 11 4.284 4.381 -0.097 1
1 215 . 14 1 1 A 19 19 TYR C C 11 175.974 177.298 -1.324 1
1 216 . 14 1 1 A 19 19 TYR CA C 11 60.774 60.451 0.323 1
1 217 . 14 1 1 A 19 19 TYR CB C 11 37.815 37.938 -0.123 1
1 222 . 14 1 1 A 19 19 TYR N N 11 115.508 120.959 -5.451 1
1 223 . 14 1 1 A 20 20 LEU H H 12 7.827 7.534 0.293 1
1 224 . 14 1 1 A 20 20 LEU HA H 12 4.091 3.856 0.235 1
1 234 . 14 1 1 A 20 20 LEU C C 12 178.711 178.666 0.045 1
1 235 . 14 1 1 A 20 20 LEU CA C 12 56.966 57.522 -0.556 1
1 236 . 14 1 1 A 20 20 LEU CB C 12 41.922 41.787 0.135 1
1 240 . 14 1 1 A 20 20 LEU N N 12 120.867 122.247 -1.380 1
1 241 . 14 1 1 A 21 21 THR H H 13 7.651 7.669 -0.018 1
1 242 . 14 1 1 A 21 21 THR HA H 13 4.162 4.275 -0.113 1
1 247 . 14 1 1 A 21 21 THR C C 13 175.842 174.415 1.427 1
1 248 . 14 1 1 A 21 21 THR CA C 13 62.159 62.346 -0.187 1
1 249 . 14 1 1 A 21 21 THR CB C 13 69.191 70.361 -1.170 1
1 251 . 14 1 1 A 21 21 THR N N 13 108.304 107.284 1.020 1
1 252 . 14 1 1 A 22 22 GLY H H 14 7.679 7.967 -0.288 1
1 253 . 14 1 1 A 22 22 GLY HA2 H 14 2.802 3.768 -0.966 1
1 254 . 14 1 1 A 22 22 GLY HA3 H 14 3.715 3.969 -0.254 1
1 255 . 14 1 1 A 22 22 GLY C C 14 175.108 173.481 1.627 1
1 256 . 14 1 1 A 22 22 GLY CA C 14 46.131 46.676 -0.545 1
1 257 . 14 1 1 A 22 22 GLY N N 14 109.901 110.712 -0.811 1
1 258 . 14 1 1 A 23 23 TRP H H 15 8.817 8.285 0.532 1
1 259 . 14 1 1 A 23 23 TRP HA H 15 4.724 5.563 -0.839 1
1 268 . 14 1 1 A 23 23 TRP C C 15 176.569 175.080 1.489 1
1 269 . 14 1 1 A 23 23 TRP CA C 15 56.897 54.910 1.987 1
1 270 . 14 1 1 A 23 23 TRP CB C 15 29.825 32.906 -3.081 1
1 275 . 14 1 1 A 23 23 TRP N N 15 126.927 122.908 4.019 1
1 277 . 14 1 1 A 24 24 GLN H H 16 8.931 8.893 0.038 1
1 278 . 14 1 1 A 24 24 GLN HA H 16 5.186 4.219 0.967 1
1 285 . 14 1 1 A 24 24 GLN CA C 16 52.369 51.736 0.633 1
1 286 . 14 1 1 A 24 24 GLN CB C 16 31.536 30.599 0.937 1
1 288 . 14 1 1 A 24 24 GLN N N 16 122.710 120.304 2.406 1
1 290 . 14 1 1 A 25 25 PRO HA H 17 4.206 5.055 -0.849 1
1 297 . 14 1 1 A 25 25 PRO C C 17 176.918 175.452 1.466 1
1 298 . 14 1 1 A 25 25 PRO CA C 17 62.894 63.134 -0.240 1
1 299 . 14 1 1 A 25 25 PRO CB C 17 31.444 31.894 -0.450 1
1 302 . 14 1 1 A 26 26 ARG H H 18 9.041 8.879 0.162 1
1 303 . 14 1 1 A 26 26 ARG HA H 18 4.857 4.870 -0.013 1
1 310 . 14 1 1 A 26 26 ARG C C 18 173.102 174.112 -1.010 1
1 311 . 14 1 1 A 26 26 ARG CA C 18 53.273 55.006 -1.733 1
1 312 . 14 1 1 A 26 26 ARG CB C 18 34.254 34.202 0.052 1
1 315 . 14 1 1 A 26 26 ARG N N 18 123.602 122.814 0.788 1
1 316 . 14 1 1 A 27 27 TRP H H 19 8.375 8.281 0.094 1
1 317 . 14 1 1 A 27 27 TRP HA H 19 5.077 5.450 -0.373 1
1 326 . 14 1 1 A 27 27 TRP C C 19 174.728 174.829 -0.101 1
1 327 . 14 1 1 A 27 27 TRP CA C 19 56.157 56.708 -0.551 1
1 328 . 14 1 1 A 27 27 TRP CB C 19 31.116 31.758 -0.642 1
1 334 . 14 1 1 A 27 27 TRP N N 19 121.669 127.711 -6.042 1
1 336 . 14 1 1 A 28 28 PHE H H 20 9.016 9.202 -0.186 1
1 337 . 14 1 1 A 28 28 PHE HA H 20 5.385 5.526 -0.141 1
1 345 . 14 1 1 A 28 28 PHE C C 20 174.685 174.440 0.245 1
1 346 . 14 1 1 A 28 28 PHE CA C 20 56.699 56.387 0.312 1
1 347 . 14 1 1 A 28 28 PHE CB C 20 43.155 43.730 -0.575 1
1 353 . 14 1 1 A 28 28 PHE N N 20 128.520 126.198 2.322 1
1 354 . 14 1 1 A 29 29 VAL H H 21 9.058 9.435 -0.377 1
1 355 . 14 1 1 A 29 29 VAL HA H 21 4.681 5.263 -0.582 1
1 363 . 14 1 1 A 29 29 VAL C C 21 174.804 174.062 0.742 1
1 364 . 14 1 1 A 29 29 VAL CA C 21 61.719 59.839 1.880 1
1 365 . 14 1 1 A 29 29 VAL CB C 21 36.416 35.598 0.818 1
1 368 . 14 1 1 A 29 29 VAL N N 21 117.562 116.417 1.145 1
1 369 . 14 1 1 A 30 30 LEU H H 22 9.543 9.477 0.066 1
1 370 . 14 1 1 A 30 30 LEU HA H 22 5.311 5.271 0.040 1
1 380 . 14 1 1 A 30 30 LEU C C 22 173.506 175.105 -1.599 1
1 381 . 14 1 1 A 30 30 LEU CA C 22 53.213 54.036 -0.823 1
1 382 . 14 1 1 A 30 30 LEU CB C 22 44.939 44.196 0.743 1
1 386 . 14 1 1 A 30 30 LEU N N 22 131.939 127.571 4.368 1
1 387 . 14 1 1 A 31 31 ASP H H 23 8.513 9.443 -0.930 1
1 388 . 14 1 1 A 31 31 ASP HA H 23 5.151 4.973 0.178 1
1 391 . 14 1 1 A 31 31 ASP C C 23 176.940 175.523 1.417 1
1 392 . 14 1 1 A 31 31 ASP CA C 23 53.671 53.433 0.238 1
1 393 . 14 1 1 A 31 31 ASP CB C 23 43.770 43.037 0.733 1
1 394 . 14 1 1 A 31 31 ASP N N 23 121.978 125.688 -3.710 1
1 395 . 14 1 1 A 32 32 ASN H H 24 9.280 8.812 0.468 1
1 396 . 14 1 1 A 32 32 ASN HA H 24 4.421 4.235 0.186 1
1 401 . 14 1 1 A 32 32 ASN C C 24 175.044 174.319 0.725 1
1 402 . 14 1 1 A 32 32 ASN CA C 24 54.362 54.011 0.351 1
1 403 . 14 1 1 A 32 32 ASN CB C 24 37.804 37.557 0.247 1
1 404 . 14 1 1 A 32 32 ASN N N 24 125.653 125.195 0.458 1
1 406 . 14 1 1 A 33 33 GLY H H 25 8.997 8.437 0.560 1
1 407 . 14 1 1 A 33 33 GLY HA2 H 25 3.581 3.789 -0.208 1
1 408 . 14 1 1 A 33 33 GLY HA3 H 25 4.154 3.789 0.365 1
1 409 . 14 1 1 A 33 33 GLY C C 25 173.215 173.524 -0.309 1
1 410 . 14 1 1 A 33 33 GLY CA C 25 45.930 45.391 0.539 1
1 411 . 14 1 1 A 33 33 GLY N N 25 102.623 104.657 -2.034 1
1 412 . 14 1 1 A 34 34 ILE H H 26 7.955 7.968 -0.013 1
1 413 . 14 1 1 A 34 34 ILE HA H 26 4.771 4.375 0.396 1
1 423 . 14 1 1 A 34 34 ILE C C 26 174.753 174.134 0.619 1
1 424 . 14 1 1 A 34 34 ILE CA C 26 59.201 60.581 -1.380 1
1 425 . 14 1 1 A 34 34 ILE CB C 26 39.393 39.917 -0.524 1
1 429 . 14 1 1 A 34 34 ILE N N 26 122.350 123.261 -0.911 1
1 430 . 14 1 1 A 35 35 LEU H H 27 9.274 9.554 -0.280 1
1 431 . 14 1 1 A 35 35 LEU HA H 27 5.441 5.501 -0.060 1
1 441 . 14 1 1 A 35 35 LEU C C 27 175.131 175.115 0.016 1
1 442 . 14 1 1 A 35 35 LEU CA C 27 53.160 53.572 -0.412 1
1 443 . 14 1 1 A 35 35 LEU CB C 27 44.532 44.669 -0.137 1
1 447 . 14 1 1 A 35 35 LEU N N 27 132.013 131.021 0.992 1
1 448 . 14 1 1 A 36 36 SER H H 28 9.668 9.317 0.351 1
1 449 . 14 1 1 A 36 36 SER HA H 28 5.379 5.277 0.102 1
1 452 . 14 1 1 A 36 36 SER C C 28 171.968 173.465 -1.497 1
1 453 . 14 1 1 A 36 36 SER CA C 28 57.345 57.714 -0.369 1
1 454 . 14 1 1 A 36 36 SER CB C 28 66.044 64.947 1.097 1
1 455 . 14 1 1 A 36 36 SER N N 28 123.682 124.945 -1.263 1
1 456 . 14 1 1 A 37 37 TYR H H 29 7.452 8.504 -1.052 1
1 457 . 14 1 1 A 37 37 TYR HA H 29 5.658 5.535 0.123 1
1 464 . 14 1 1 A 37 37 TYR C C 29 172.731 173.916 -1.185 1
1 465 . 14 1 1 A 37 37 TYR CA C 29 54.632 55.167 -0.535 1
1 466 . 14 1 1 A 37 37 TYR CB C 29 39.599 41.297 -1.698 1
1 471 . 14 1 1 A 37 37 TYR N N 29 115.554 120.983 -5.429 1
1 472 . 14 1 1 A 38 38 TYR H H 30 9.116 9.116 0.000 1
1 473 . 14 1 1 A 38 38 TYR HA H 30 4.626 4.943 -0.317 1
1 480 . 14 1 1 A 38 38 TYR C C 30 175.771 175.253 0.518 1
1 481 . 14 1 1 A 38 38 TYR CA C 30 56.194 56.319 -0.125 1
1 482 . 14 1 1 A 38 38 TYR CB C 30 43.253 43.180 0.073 1
1 487 . 14 1 1 A 38 38 TYR N N 30 117.937 119.238 -1.301 1
1 488 . 14 1 1 A 39 39 ASP H H 31 9.474 9.778 -0.304 1
1 489 . 14 1 1 A 39 39 ASP HA H 31 4.624 4.596 0.028 1
1 492 . 14 1 1 A 39 39 ASP C C 31 176.264 176.008 0.256 1
1 493 . 14 1 1 A 39 39 ASP CA C 31 58.144 56.263 1.881 1
1 494 . 14 1 1 A 39 39 ASP CB C 31 40.399 41.824 -1.425 1
1 495 . 14 1 1 A 39 39 ASP N N 31 121.988 122.451 -0.463 1
1 496 . 14 1 1 A 40 40 SER H H 32 7.511 7.781 -0.270 1
1 497 . 14 1 1 A 40 40 SER HA H 32 4.567 4.555 0.012 1
1 500 . 14 1 1 A 40 40 SER C C 32 173.752 174.170 -0.418 1
1 501 . 14 1 1 A 40 40 SER CA C 32 57.211 56.964 0.247 1
1 502 . 14 1 1 A 40 40 SER CB C 32 65.547 65.141 0.406 1
1 503 . 14 1 1 A 40 40 SER N N 32 107.441 108.655 -1.214 1
1 504 . 14 1 1 A 41 41 GLN H H 33 8.828 8.351 0.477 1
1 505 . 14 1 1 A 41 41 GLN HA H 33 2.511 3.137 -0.626 1
1 512 . 14 1 1 A 41 41 GLN C C 33 177.001 176.326 0.675 1
1 513 . 14 1 1 A 41 41 GLN CA C 33 58.261 58.615 -0.354 1
1 514 . 14 1 1 A 41 41 GLN CB C 33 27.168 27.788 -0.620 1
1 516 . 14 1 1 A 41 41 GLN N N 33 123.170 120.439 2.731 1
1 518 . 14 1 1 A 42 42 ASP H H 34 7.774 8.145 -0.371 1
1 519 . 14 1 1 A 42 42 ASP HA H 34 4.289 4.215 0.074 1
1 522 . 14 1 1 A 42 42 ASP C C 34 176.567 177.908 -1.341 1
1 523 . 14 1 1 A 42 42 ASP CA C 34 55.710 57.383 -1.673 1
1 524 . 14 1 1 A 42 42 ASP CB C 34 40.459 41.165 -0.706 1
1 525 . 14 1 1 A 42 42 ASP N N 34 116.558 119.525 -2.967 1
1 526 . 14 1 1 A 43 43 ASP H H 35 7.388 7.654 -0.266 1
1 527 . 14 1 1 A 43 43 ASP HA H 35 4.755 4.359 0.396 1
1 530 . 14 1 1 A 43 43 ASP C C 35 177.129 178.521 -1.392 1
1 531 . 14 1 1 A 43 43 ASP CA C 35 54.563 56.249 -1.686 1
1 532 . 14 1 1 A 43 43 ASP CB C 35 42.434 41.347 1.087 1
1 533 . 14 1 1 A 43 43 ASP N N 35 117.173 119.629 -2.456 1
1 534 . 14 1 1 A 44 44 VAL H H 36 7.063 7.469 -0.406 1
1 535 . 14 1 1 A 44 44 VAL HA H 36 3.372 1.623 1.749 1
1 543 . 14 1 1 A 44 44 VAL C C 36 178.169 177.671 0.498 1
1 544 . 14 1 1 A 44 44 VAL CA C 36 65.325 65.594 -0.269 1
1 545 . 14 1 1 A 44 44 VAL CB C 36 31.179 30.958 0.221 1
1 548 . 14 1 1 A 44 44 VAL N N 36 121.695 119.033 2.662 1
1 549 . 14 1 1 A 45 45 CYS H H 37 8.133 7.735 0.398 1
1 550 . 14 1 1 A 45 45 CYS HA H 37 4.425 4.115 0.310 1
1 553 . 14 1 1 A 45 45 CYS C C 37 175.083 176.957 -1.874 1
1 554 . 14 1 1 A 45 45 CYS CA C 37 59.202 62.154 -2.952 1
1 555 . 14 1 1 A 45 45 CYS CB C 37 27.101 26.951 0.150 1
1 556 . 14 1 1 A 45 45 CYS N N 37 115.191 119.197 -4.006 1
1 557 . 14 1 1 A 46 46 LYS H H 38 7.844 7.371 0.473 1
1 558 . 14 1 1 A 46 46 LYS HA H 38 4.428 4.044 0.384 1
1 567 . 14 1 1 A 46 46 LYS C C 38 177.049 177.668 -0.619 1
1 568 . 14 1 1 A 46 46 LYS CA C 38 56.787 57.481 -0.694 1
1 569 . 14 1 1 A 46 46 LYS CB C 38 33.119 32.739 0.380 1
1 573 . 14 1 1 A 46 46 LYS N N 38 121.496 117.535 3.961 1
1 574 . 14 1 1 A 47 47 GLY H H 39 7.759 8.015 -0.256 1
1 575 . 14 1 1 A 47 47 GLY HA2 H 39 4.022 3.992 0.030 1
1 576 . 14 1 1 A 47 47 GLY HA3 H 39 4.542 4.127 0.415 1
1 577 . 14 1 1 A 47 47 GLY C C 39 173.037 174.894 -1.857 1
1 578 . 14 1 1 A 47 47 GLY CA C 39 44.261 46.354 -2.093 1
1 579 . 14 1 1 A 47 47 GLY N N 39 107.270 107.302 -0.032 1
1 580 . 14 1 1 A 48 48 SER H H 40 8.478 8.567 -0.089 1
1 581 . 14 1 1 A 48 48 SER HA H 40 3.783 4.338 -0.555 1
1 584 . 14 1 1 A 48 48 SER C C 40 175.221 174.549 0.672 1
1 585 . 14 1 1 A 48 48 SER CA C 40 57.947 59.160 -1.213 1
1 586 . 14 1 1 A 48 48 SER CB C 40 63.811 63.375 0.436 1
1 587 . 14 1 1 A 48 48 SER N N 40 116.121 116.496 -0.375 1
1 588 . 14 1 1 A 49 49 LYS H H 41 8.394 8.741 -0.347 1
1 589 . 14 1 1 A 49 49 LYS HA H 41 4.188 4.385 -0.197 1
1 598 . 14 1 1 A 49 49 LYS C C 41 176.470 176.427 0.043 1
1 599 . 14 1 1 A 49 49 LYS CA C 41 55.331 56.710 -1.379 1
1 600 . 14 1 1 A 49 49 LYS CB C 41 32.293 32.839 -0.546 1
1 604 . 14 1 1 A 49 49 LYS N N 41 120.990 125.218 -4.228 1
1 605 . 14 1 1 A 50 50 GLY H H 42 6.747 7.750 -1.003 1
1 606 . 14 1 1 A 50 50 GLY HA2 H 42 3.531 4.232 -0.701 1
1 607 . 14 1 1 A 50 50 GLY HA3 H 42 3.884 4.260 -0.376 1
1 608 . 14 1 1 A 50 50 GLY C C 42 170.967 172.333 -1.366 1
1 609 . 14 1 1 A 50 50 GLY CA C 42 45.060 44.510 0.550 1
1 610 . 14 1 1 A 50 50 GLY N N 42 106.048 107.998 -1.950 1
1 611 . 14 1 1 A 51 51 SER H H 43 8.158 8.991 -0.833 1
1 612 . 14 1 1 A 51 51 SER HA H 43 5.343 5.290 0.053 1
1 615 . 14 1 1 A 51 51 SER C C 43 172.787 172.297 0.490 1
1 616 . 14 1 1 A 51 51 SER CA C 43 57.639 57.449 0.190 1
1 617 . 14 1 1 A 51 51 SER CB C 43 65.897 67.491 -1.594 1
1 618 . 14 1 1 A 51 51 SER N N 43 113.080 119.819 -6.739 1
1 619 . 14 1 1 A 52 52 ILE H H 44 9.306 9.258 0.048 1
1 620 . 14 1 1 A 52 52 ILE HA H 44 4.203 4.725 -0.522 1
1 630 . 14 1 1 A 52 52 ILE C C 44 174.340 174.496 -0.156 1
1 631 . 14 1 1 A 52 52 ILE CA C 44 60.326 60.485 -0.159 1
1 632 . 14 1 1 A 52 52 ILE CB C 44 42.302 39.365 2.937 1
1 636 . 14 1 1 A 52 52 ILE N N 44 123.385 121.100 2.285 1
1 637 . 14 1 1 A 53 53 LYS H H 45 8.495 8.790 -0.295 1
1 638 . 14 1 1 A 53 53 LYS HA H 45 4.444 4.583 -0.139 1
1 647 . 14 1 1 A 53 53 LYS C C 45 176.283 176.118 0.165 1
1 648 . 14 1 1 A 53 53 LYS CA C 45 56.255 56.106 0.149 1
1 649 . 14 1 1 A 53 53 LYS CB C 45 32.258 32.484 -0.226 1
1 653 . 14 1 1 A 53 53 LYS N N 45 127.498 129.008 -1.510 1
1 654 . 14 1 1 A 54 54 MET H H 46 8.190 8.511 -0.321 1
1 655 . 14 1 1 A 54 54 MET HA H 46 4.585 4.234 0.351 1
1 663 . 14 1 1 A 54 54 MET C C 46 178.779 178.146 0.633 1
1 664 . 14 1 1 A 54 54 MET CA C 46 55.549 58.570 -3.021 1
1 665 . 14 1 1 A 54 54 MET CB C 46 29.465 31.779 -2.314 1
1 668 . 14 1 1 A 54 54 MET N N 46 123.817 125.077 -1.260 1
1 669 . 14 1 1 A 55 55 ALA H H 47 8.860 7.971 0.889 1
1 670 . 14 1 1 A 55 55 ALA HA H 47 4.142 4.161 -0.019 1
1 674 . 14 1 1 A 55 55 ALA C C 47 178.752 177.807 0.945 1
1 675 . 14 1 1 A 55 55 ALA CA C 47 55.004 54.276 0.728 1
1 676 . 14 1 1 A 55 55 ALA CB C 47 19.312 18.414 0.898 1
1 677 . 14 1 1 A 55 55 ALA N N 47 119.194 121.080 -1.886 1
1 678 . 14 1 1 A 56 56 VAL H H 48 7.127 8.005 -0.878 1
1 679 . 14 1 1 A 56 56 VAL HA H 48 4.592 4.365 0.227 1
1 687 . 14 1 1 A 56 56 VAL C C 48 174.965 175.736 -0.771 1
1 688 . 14 1 1 A 56 56 VAL CA C 48 60.038 61.342 -1.304 1
1 689 . 14 1 1 A 56 56 VAL CB C 48 31.878 33.293 -1.415 1
1 692 . 14 1 1 A 56 56 VAL N N 48 105.989 116.275 -10.286 1
1 693 . 14 1 1 A 57 57 CYS H H 49 7.414 7.697 -0.283 1
1 694 . 14 1 1 A 57 57 CYS HA H 49 4.897 5.060 -0.163 1
1 697 . 14 1 1 A 57 57 CYS C C 49 173.836 173.115 0.721 1
1 698 . 14 1 1 A 57 57 CYS CA C 49 58.123 57.209 0.914 1
1 699 . 14 1 1 A 57 57 CYS CB C 49 30.078 30.887 -0.809 1
1 700 . 14 1 1 A 57 57 CYS N N 49 119.973 121.111 -1.138 1
1 701 . 14 1 1 A 58 58 GLU H H 50 8.852 8.980 -0.128 1
1 702 . 14 1 1 A 58 58 GLU HA H 50 4.674 4.724 -0.050 1
1 707 . 14 1 1 A 58 58 GLU C C 50 175.085 175.101 -0.016 1
1 708 . 14 1 1 A 58 58 GLU CA C 50 54.809 55.943 -1.134 1
1 709 . 14 1 1 A 58 58 GLU CB C 50 31.856 31.035 0.821 1
1 711 . 14 1 1 A 58 58 GLU N N 50 124.719 125.713 -0.994 1
1 712 . 14 1 1 A 59 59 ILE H H 51 8.731 8.800 -0.069 1
1 713 . 14 1 1 A 59 59 ILE HA H 51 4.625 4.856 -0.231 1
1 723 . 14 1 1 A 59 59 ILE C C 51 175.513 174.391 1.122 1
1 724 . 14 1 1 A 59 59 ILE CA C 51 60.675 60.262 0.413 1
1 725 . 14 1 1 A 59 59 ILE CB C 51 39.717 39.893 -0.176 1
1 729 . 14 1 1 A 59 59 ILE N N 51 124.286 125.318 -1.032 1
1 730 . 14 1 1 A 60 60 LYS H H 52 9.212 9.309 -0.097 1
1 731 . 14 1 1 A 60 60 LYS HA H 52 4.829 4.718 0.111 1
1 740 . 14 1 1 A 60 60 LYS C C 52 175.594 175.422 0.172 1
1 741 . 14 1 1 A 60 60 LYS CA C 52 54.490 56.016 -1.526 1
1 742 . 14 1 1 A 60 60 LYS CB C 52 34.908 32.883 2.025 1
1 746 . 14 1 1 A 60 60 LYS N N 52 128.004 129.008 -1.004 1
1 747 . 14 1 1 A 61 61 VAL H H 53 8.776 8.769 0.007 1
1 748 . 14 1 1 A 61 61 VAL HA H 53 4.087 4.735 -0.648 1
1 756 . 14 1 1 A 61 61 VAL C C 53 175.262 175.272 -0.010 1
1 757 . 14 1 1 A 61 61 VAL CA C 53 62.067 61.749 0.318 1
1 758 . 14 1 1 A 61 61 VAL CB C 53 33.296 33.920 -0.624 1
1 761 . 14 1 1 A 61 61 VAL N N 53 124.000 124.439 -0.439 1
1 762 . 14 1 1 A 62 62 HIS H H 54 7.677 8.675 -0.998 1
1 763 . 14 1 1 A 62 62 HIS HA H 54 4.456 4.647 -0.191 1
1 766 . 14 1 1 A 62 62 HIS C C 54 176.465 175.484 0.981 1
1 767 . 14 1 1 A 62 62 HIS CA C 54 57.986 56.755 1.231 1
1 768 . 14 1 1 A 62 62 HIS CB C 54 32.369 31.997 0.372 1
1 769 . 14 1 1 A 62 62 HIS N N 54 127.177 125.773 1.404 1
1 770 . 14 1 1 A 63 63 SER H H 55 8.552 8.119 0.433 1
1 771 . 14 1 1 A 63 63 SER HA H 55 4.251 4.407 -0.156 1
1 774 . 14 1 1 A 63 63 SER C C 55 174.509 174.137 0.372 1
1 775 . 14 1 1 A 63 63 SER CA C 55 60.312 57.730 2.582 1
1 776 . 14 1 1 A 63 63 SER CB C 55 63.609 63.817 -0.208 1
1 777 . 14 1 1 A 63 63 SER N N 55 120.508 110.067 10.441 1
1 778 . 14 1 1 A 64 64 ALA H H 56 8.807 7.192 1.615 1
1 779 . 14 1 1 A 64 64 ALA HA H 56 4.553 4.384 0.169 1
1 783 . 14 1 1 A 64 64 ALA C C 56 176.763 177.258 -0.495 1
1 784 . 14 1 1 A 64 64 ALA CA C 56 53.183 51.132 2.051 1
1 785 . 14 1 1 A 64 64 ALA CB C 56 20.619 20.660 -0.041 1
1 786 . 14 1 1 A 64 64 ALA N N 56 124.728 124.366 0.362 1
1 787 . 14 1 1 A 65 65 ASP H H 57 8.762 8.489 0.273 1
1 788 . 14 1 1 A 65 65 ASP HA H 57 4.689 4.898 -0.209 1
1 791 . 14 1 1 A 65 65 ASP C C 57 176.322 176.323 -0.001 1
1 792 . 14 1 1 A 65 65 ASP CA C 57 52.911 52.924 -0.013 1
1 793 . 14 1 1 A 65 65 ASP CB C 57 41.216 42.376 -1.160 1
1 794 . 14 1 1 A 65 65 ASP N N 57 120.574 119.981 0.593 1
1 795 . 14 1 1 A 66 66 ASN H H 58 8.457 8.381 0.076 1
1 796 . 14 1 1 A 66 66 ASN HA H 58 4.580 4.432 0.148 1
1 801 . 14 1 1 A 66 66 ASN C C 58 174.296 175.815 -1.519 1
1 802 . 14 1 1 A 66 66 ASN CA C 58 54.146 54.016 0.130 1
1 803 . 14 1 1 A 66 66 ASN CB C 58 37.538 38.380 -0.842 1
1 804 . 14 1 1 A 66 66 ASN N N 58 122.233 118.080 4.153 1
1 806 . 14 1 1 A 67 67 THR H H 59 8.411 8.529 -0.118 1
1 807 . 14 1 1 A 67 67 THR HA H 59 4.284 4.193 0.091 1
1 812 . 14 1 1 A 67 67 THR C C 59 175.932 173.787 2.145 1
1 813 . 14 1 1 A 67 67 THR CA C 59 62.159 63.167 -1.008 1
1 814 . 14 1 1 A 67 67 THR CB C 59 70.025 68.661 1.364 1
1 816 . 14 1 1 A 67 67 THR N N 59 104.777 116.792 -12.015 1
1 817 . 14 1 1 A 68 68 ARG H H 60 7.589 8.446 -0.857 1
1 818 . 14 1 1 A 68 68 ARG HA H 60 5.044 3.845 1.199 1
1 825 . 14 1 1 A 68 68 ARG C C 60 176.482 175.585 0.897 1
1 826 . 14 1 1 A 68 68 ARG CA C 60 56.516 56.590 -0.074 1
1 827 . 14 1 1 A 68 68 ARG CB C 60 34.348 27.721 6.627 1
1 830 . 14 1 1 A 68 68 ARG N N 60 122.336 123.533 -1.197 1
1 831 . 14 1 1 A 69 69 MET H H 61 9.018 7.841 1.177 1
1 832 . 14 1 1 A 69 69 MET HA H 61 4.997 4.955 0.042 1
1 840 . 14 1 1 A 69 69 MET C C 61 172.463 173.300 -0.837 1
1 841 . 14 1 1 A 69 69 MET CA C 61 55.330 53.304 2.026 1
1 842 . 14 1 1 A 69 69 MET CB C 61 37.234 36.030 1.204 1
1 845 . 14 1 1 A 69 69 MET N N 61 119.640 121.398 -1.758 1
1 846 . 14 1 1 A 70 70 GLU H H 62 8.996 8.954 0.042 1
1 847 . 14 1 1 A 70 70 GLU HA H 62 5.365 5.087 0.278 1
1 852 . 14 1 1 A 70 70 GLU C C 62 173.523 174.912 -1.389 1
1 853 . 14 1 1 A 70 70 GLU CA C 62 54.326 55.040 -0.714 1
1 854 . 14 1 1 A 70 70 GLU CB C 62 33.915 32.870 1.045 1
1 856 . 14 1 1 A 70 70 GLU N N 62 122.200 121.508 0.692 1
1 857 . 14 1 1 A 71 71 LEU H H 63 8.763 9.425 -0.662 1
1 858 . 14 1 1 A 71 71 LEU HA H 63 5.222 5.260 -0.038 1
1 868 . 14 1 1 A 71 71 LEU C C 63 175.719 175.178 0.541 1
1 869 . 14 1 1 A 71 71 LEU CA C 63 53.222 53.321 -0.099 1
1 870 . 14 1 1 A 71 71 LEU CB C 63 43.781 43.658 0.123 1
1 874 . 14 1 1 A 71 71 LEU N N 63 123.741 126.620 -2.879 1
1 875 . 14 1 1 A 72 72 ILE H H 64 9.006 9.483 -0.477 1
1 876 . 14 1 1 A 72 72 ILE HA H 64 4.316 5.081 -0.765 1
1 886 . 14 1 1 A 72 72 ILE C C 64 175.349 173.585 1.764 1
1 887 . 14 1 1 A 72 72 ILE CA C 64 60.921 60.268 0.653 1
1 888 . 14 1 1 A 72 72 ILE CB C 64 39.919 40.907 -0.988 1
1 892 . 14 1 1 A 72 72 ILE N N 64 123.633 126.609 -2.976 1
1 893 . 14 1 1 A 73 73 ILE H H 65 8.601 9.048 -0.447 1
1 894 . 14 1 1 A 73 73 ILE HA H 65 4.854 4.752 0.102 1
1 904 . 14 1 1 A 73 73 ILE CA C 65 58.440 57.395 1.045 1
1 905 . 14 1 1 A 73 73 ILE CB C 65 39.820 41.301 -1.481 1
1 909 . 14 1 1 A 73 73 ILE N N 65 128.410 129.649 -1.239 1
1 910 . 14 1 1 A 74 74 PRO HA H 66 4.265 4.307 -0.042 1
1 917 . 14 1 1 A 74 74 PRO C C 66 177.170 177.360 -0.190 1
1 918 . 14 1 1 A 74 74 PRO CA C 66 64.500 63.740 0.760 1
1 919 . 14 1 1 A 74 74 PRO CB C 66 31.826 31.348 0.478 1
1 922 . 14 1 1 A 75 75 GLY H H 67 8.704 8.680 0.024 1
1 923 . 14 1 1 A 75 75 GLY HA2 H 67 3.753 3.961 -0.208 1
1 924 . 14 1 1 A 75 75 GLY HA3 H 67 4.251 3.981 0.270 1
1 925 . 14 1 1 A 75 75 GLY C C 67 174.192 175.438 -1.246 1
1 926 . 14 1 1 A 75 75 GLY CA C 67 45.479 45.711 -0.232 1
1 927 . 14 1 1 A 75 75 GLY N N 67 111.825 112.609 -0.784 1
1 928 . 14 1 1 A 76 76 GLU H H 68 8.258 8.369 -0.111 1
1 929 . 14 1 1 A 76 76 GLU HA H 68 4.483 4.394 0.089 1
1 934 . 14 1 1 A 76 76 GLU C C 68 175.838 177.165 -1.327 1
1 935 . 14 1 1 A 76 76 GLU CA C 68 56.178 58.582 -2.404 1
1 936 . 14 1 1 A 76 76 GLU CB C 68 31.066 30.664 0.402 1
1 938 . 14 1 1 A 76 76 GLU N N 68 118.446 120.852 -2.406 1
1 939 . 14 1 1 A 77 77 GLN H H 69 8.102 8.329 -0.227 1
1 940 . 14 1 1 A 77 77 GLN HA H 69 4.556 4.422 0.134 1
1 947 . 14 1 1 A 77 77 GLN C C 69 175.179 175.206 -0.027 1
1 948 . 14 1 1 A 77 77 GLN CA C 69 55.633 56.279 -0.646 1
1 949 . 14 1 1 A 77 77 GLN CB C 69 31.116 28.628 2.488 1
1 951 . 14 1 1 A 77 77 GLN N N 69 117.826 118.925 -1.099 1
1 953 . 14 1 1 A 78 78 HIS H H 70 8.857 8.907 -0.050 1
1 954 . 14 1 1 A 78 78 HIS HA H 70 4.923 4.186 0.737 1
1 957 . 14 1 1 A 78 78 HIS C C 70 173.113 173.845 -0.732 1
1 958 . 14 1 1 A 78 78 HIS CA C 70 54.623 56.826 -2.203 1
1 959 . 14 1 1 A 78 78 HIS CB C 70 30.231 28.804 1.427 1
1 960 . 14 1 1 A 78 78 HIS N N 70 120.752 119.293 1.459 1
1 961 . 14 1 1 A 79 79 PHE H H 71 9.120 7.467 1.653 1
1 962 . 14 1 1 A 79 79 PHE HA H 71 4.797 4.511 0.286 1
1 967 . 14 1 1 A 79 79 PHE C C 71 174.341 174.064 0.277 1
1 968 . 14 1 1 A 79 79 PHE CA C 71 56.191 56.654 -0.463 1
1 969 . 14 1 1 A 79 79 PHE CB C 71 40.983 39.412 1.571 1
1 970 . 14 1 1 A 79 79 PHE N N 71 124.577 119.384 5.193 1
1 971 . 14 1 1 A 80 80 TYR H H 72 8.883 8.940 -0.057 1
1 972 . 14 1 1 A 80 80 TYR HA H 72 5.142 5.235 -0.093 1
1 979 . 14 1 1 A 80 80 TYR C C 72 175.115 173.983 1.132 1
1 980 . 14 1 1 A 80 80 TYR CA C 72 57.353 56.432 0.921 1
1 981 . 14 1 1 A 80 80 TYR CB C 72 39.753 41.232 -1.479 1
1 986 . 14 1 1 A 80 80 TYR N N 72 124.010 125.362 -1.352 1
1 987 . 14 1 1 A 81 81 MET H H 73 8.824 8.557 0.267 1
1 988 . 14 1 1 A 81 81 MET HA H 73 5.983 5.307 0.676 1
1 996 . 14 1 1 A 81 81 MET C C 73 175.053 174.626 0.427 1
1 997 . 14 1 1 A 81 81 MET CA C 73 54.453 53.732 0.721 1
1 998 . 14 1 1 A 81 81 MET CB C 73 38.584 35.680 2.904 1
1 1001 . 14 1 1 A 81 81 MET N N 73 120.151 126.148 -5.997 1
1 1002 . 14 1 1 A 82 82 LYS H H 74 9.103 8.861 0.242 1
1 1003 . 14 1 1 A 82 82 LYS HA H 74 4.800 4.830 -0.030 1
1 1012 . 14 1 1 A 82 82 LYS C C 74 174.244 175.991 -1.747 1
1 1013 . 14 1 1 A 82 82 LYS CA C 74 55.314 54.566 0.748 1
1 1014 . 14 1 1 A 82 82 LYS CB C 74 36.251 35.822 0.429 1
1 1018 . 14 1 1 A 82 82 LYS N N 74 121.097 123.779 -2.682 1
1 1019 . 14 1 1 A 83 83 ALA H H 75 8.740 8.498 0.242 1
1 1020 . 14 1 1 A 83 83 ALA HA H 75 4.786 4.708 0.078 1
1 1024 . 14 1 1 A 83 83 ALA C C 75 177.126 178.158 -1.032 1
1 1025 . 14 1 1 A 83 83 ALA CA C 75 49.893 51.198 -1.305 1
1 1026 . 14 1 1 A 83 83 ALA CB C 75 21.311 20.230 1.081 1
1 1027 . 14 1 1 A 83 83 ALA N N 75 126.624 128.271 -1.647 1
1 1028 . 14 1 1 A 84 84 VAL H H 76 9.105 8.709 0.396 1
1 1029 . 14 1 1 A 84 84 VAL HA H 76 3.835 3.887 -0.052 1
1 1037 . 14 1 1 A 84 84 VAL C C 76 175.635 176.027 -0.392 1
1 1038 . 14 1 1 A 84 84 VAL CA C 76 64.888 65.834 -0.946 1
1 1039 . 14 1 1 A 84 84 VAL CB C 76 32.097 32.188 -0.091 1
1 1042 . 14 1 1 A 84 84 VAL N N 76 115.195 119.023 -3.828 1
1 1043 . 14 1 1 A 85 85 ASN H H 77 7.278 7.963 -0.685 1
1 1044 . 14 1 1 A 85 85 ASN HA H 77 4.476 5.014 -0.538 1
1 1049 . 14 1 1 A 85 85 ASN C C 77 174.796 175.495 -0.699 1
1 1050 . 14 1 1 A 85 85 ASN CA C 77 52.193 51.351 0.842 1
1 1051 . 14 1 1 A 85 85 ASN CB C 77 39.702 40.551 -0.849 1
1 1052 . 14 1 1 A 85 85 ASN N N 77 109.430 115.433 -6.003 1
1 1054 . 14 1 1 A 86 86 ALA H H 78 8.681 8.784 -0.103 1
1 1055 . 14 1 1 A 86 86 ALA HA H 78 4.195 4.020 0.175 1
1 1059 . 14 1 1 A 86 86 ALA C C 78 180.157 180.096 0.061 1
1 1060 . 14 1 1 A 86 86 ALA CA C 78 54.919 55.519 -0.600 1
1 1061 . 14 1 1 A 86 86 ALA CB C 78 18.721 18.059 0.662 1
1 1062 . 14 1 1 A 86 86 ALA N N 78 121.886 121.556 0.330 1
1 1063 . 14 1 1 A 87 87 ALA H H 79 8.386 8.044 0.342 1
1 1064 . 14 1 1 A 87 87 ALA HA H 79 4.200 4.039 0.161 1
1 1068 . 14 1 1 A 87 87 ALA C C 79 181.167 179.925 1.242 1
1 1069 . 14 1 1 A 87 87 ALA CA C 79 55.195 55.219 -0.024 1
1 1070 . 14 1 1 A 87 87 ALA CB C 79 17.663 17.980 -0.317 1
1 1071 . 14 1 1 A 87 87 ALA N N 79 123.939 120.007 3.932 1
1 1072 . 14 1 1 A 88 88 GLU H H 80 8.743 8.139 0.604 1
1 1073 . 14 1 1 A 88 88 GLU HA H 80 4.260 4.039 0.221 1
1 1078 . 14 1 1 A 88 88 GLU C C 80 178.848 179.276 -0.428 1
1 1079 . 14 1 1 A 88 88 GLU CA C 80 59.191 59.498 -0.307 1
1 1080 . 14 1 1 A 88 88 GLU CB C 80 29.898 29.373 0.525 1
1 1082 . 14 1 1 A 88 88 GLU N N 80 119.694 118.023 1.671 1
1 1083 . 14 1 1 A 89 89 ARG H H 81 7.936 8.339 -0.403 1
1 1084 . 14 1 1 A 89 89 ARG HA H 81 3.780 4.050 -0.270 1
1 1087 . 14 1 1 A 89 89 ARG C C 81 177.596 178.687 -1.091 1
1 1088 . 14 1 1 A 89 89 ARG CA C 81 61.042 59.545 1.497 1
1 1089 . 14 1 1 A 89 89 ARG CB C 81 29.630 29.850 -0.220 1
1 1090 . 14 1 1 A 89 89 ARG N N 81 119.080 120.723 -1.643 1
1 1091 . 14 1 1 A 90 90 GLN H H 82 8.063 8.101 -0.038 1
1 1092 . 14 1 1 A 90 90 GLN HA H 82 4.039 4.035 0.004 1
1 1099 . 14 1 1 A 90 90 GLN C C 82 177.419 178.212 -0.793 1
1 1100 . 14 1 1 A 90 90 GLN CA C 82 59.069 59.057 0.012 1
1 1101 . 14 1 1 A 90 90 GLN CB C 82 27.786 28.261 -0.475 1
1 1103 . 14 1 1 A 90 90 GLN N N 82 118.390 118.470 -0.080 1
1 1105 . 14 1 1 A 91 91 ARG H H 83 7.700 7.671 0.029 1
1 1106 . 14 1 1 A 91 91 ARG HA H 83 3.961 3.987 -0.026 1
1 1114 . 14 1 1 A 91 91 ARG C C 83 180.016 179.002 1.014 1
1 1115 . 14 1 1 A 91 91 ARG CA C 83 59.750 59.544 0.206 1
1 1116 . 14 1 1 A 91 91 ARG CB C 83 30.401 29.694 0.707 1
1 1119 . 14 1 1 A 91 91 ARG N N 83 117.912 118.813 -0.901 1
1 1121 . 14 1 1 A 92 92 TRP H H 84 7.895 7.665 0.230 1
1 1122 . 14 1 1 A 92 92 TRP HA H 84 4.115 4.517 -0.402 1
1 1130 . 14 1 1 A 92 92 TRP C C 84 178.111 179.196 -1.085 1
1 1131 . 14 1 1 A 92 92 TRP CA C 84 61.633 59.858 1.775 1
1 1132 . 14 1 1 A 92 92 TRP CB C 84 29.032 29.502 -0.470 1
1 1137 . 14 1 1 A 92 92 TRP N N 84 119.237 121.091 -1.854 1
1 1139 . 14 1 1 A 93 93 LEU H H 85 8.988 8.572 0.416 1
1 1140 . 14 1 1 A 93 93 LEU HA H 85 3.978 3.984 -0.006 1
1 1150 . 14 1 1 A 93 93 LEU C C 85 180.925 179.780 1.145 1
1 1151 . 14 1 1 A 93 93 LEU CA C 85 58.716 57.784 0.932 1
1 1152 . 14 1 1 A 93 93 LEU CB C 85 41.506 41.423 0.083 1
1 1156 . 14 1 1 A 93 93 LEU N N 85 119.853 120.140 -0.287 1
1 1157 . 14 1 1 A 94 94 VAL H H 86 8.233 8.549 -0.316 1
1 1158 . 14 1 1 A 94 94 VAL HA H 86 3.695 3.503 0.192 1
1 1166 . 14 1 1 A 94 94 VAL C C 86 178.733 177.771 0.962 1
1 1167 . 14 1 1 A 94 94 VAL CA C 86 66.250 66.601 -0.351 1
1 1168 . 14 1 1 A 94 94 VAL CB C 86 31.886 31.507 0.379 1
1 1171 . 14 1 1 A 94 94 VAL N N 86 120.164 120.078 0.086 1
1 1172 . 14 1 1 A 95 95 ALA H H 87 7.345 7.810 -0.465 1
1 1173 . 14 1 1 A 95 95 ALA HA H 87 4.113 3.992 0.121 1
1 1177 . 14 1 1 A 95 95 ALA C C 87 180.055 180.264 -0.209 1
1 1178 . 14 1 1 A 95 95 ALA CA C 87 55.410 55.424 -0.014 1
1 1179 . 14 1 1 A 95 95 ALA CB C 87 18.816 18.467 0.349 1
1 1180 . 14 1 1 A 95 95 ALA N N 87 123.818 121.624 2.194 1
1 1181 . 14 1 1 A 96 96 LEU H H 88 9.342 8.796 0.546 1
1 1182 . 14 1 1 A 96 96 LEU HA H 88 4.003 4.006 -0.003 1
1 1192 . 14 1 1 A 96 96 LEU C C 88 179.349 179.566 -0.217 1
1 1193 . 14 1 1 A 96 96 LEU CA C 88 57.786 58.097 -0.311 1
1 1194 . 14 1 1 A 96 96 LEU CB C 88 41.848 41.829 0.019 1
1 1198 . 14 1 1 A 96 96 LEU N N 88 117.857 118.493 -0.636 1
1 1199 . 14 1 1 A 97 97 GLY H H 89 8.252 8.424 -0.172 1
1 1200 . 14 1 1 A 97 97 GLY HA2 H 89 3.819 3.846 -0.027 1
1 1201 . 14 1 1 A 97 97 GLY HA3 H 89 3.948 3.846 0.102 1
1 1202 . 14 1 1 A 97 97 GLY C C 89 176.463 176.336 0.127 1
1 1203 . 14 1 1 A 97 97 GLY CA C 89 46.620 47.359 -0.739 1
1 1204 . 14 1 1 A 97 97 GLY N N 89 105.618 106.390 -0.772 1
1 1205 . 14 1 1 A 98 98 SER H H 90 8.068 7.758 0.310 1
1 1206 . 14 1 1 A 98 98 SER HA H 90 4.377 4.150 0.227 1
1 1209 . 14 1 1 A 98 98 SER C C 90 176.144 176.484 -0.340 1
1 1210 . 14 1 1 A 98 98 SER CA C 90 60.842 61.602 -0.760 1
1 1211 . 14 1 1 A 98 98 SER CB C 90 63.116 62.459 0.657 1
1 1212 . 14 1 1 A 98 98 SER N N 90 117.602 116.515 1.087 1
1 1213 . 14 1 1 A 99 99 SER H H 91 8.036 7.686 0.350 1
1 1214 . 14 1 1 A 99 99 SER HA H 91 4.324 4.181 0.143 1
1 1217 . 14 1 1 A 99 99 SER C C 91 175.818 177.167 -1.349 1
1 1218 . 14 1 1 A 99 99 SER CA C 91 60.720 61.288 -0.568 1
1 1219 . 14 1 1 A 99 99 SER CB C 91 63.831 63.034 0.797 1
1 1220 . 14 1 1 A 99 99 SER N N 91 116.877 117.605 -0.728 1
1 1221 . 14 1 1 A 100 100 LYS H H 92 7.838 7.576 0.262 1
1 1222 . 14 1 1 A 100 100 LYS HA H 92 4.068 4.051 0.017 1
1 1231 . 14 1 1 A 100 100 LYS C C 92 177.235 177.775 -0.540 1
1 1232 . 14 1 1 A 100 100 LYS CA C 92 58.121 58.440 -0.319 1
1 1233 . 14 1 1 A 100 100 LYS CB C 92 32.263 32.066 0.197 1
1 1237 . 14 1 1 A 100 100 LYS N N 92 119.456 121.592 -2.136 1
1 1238 . 14 1 1 A 101 101 ALA H H 93 7.924 7.425 0.499 1
1 1239 . 14 1 1 A 101 101 ALA HA H 93 4.321 4.301 0.020 1
1 1243 . 14 1 1 A 101 101 ALA C C 93 178.323 178.412 -0.089 1
1 1244 . 14 1 1 A 101 101 ALA CA C 93 53.435 52.536 0.899 1
1 1245 . 14 1 1 A 101 101 ALA CB C 93 18.969 18.677 0.292 1
1 1246 . 14 1 1 A 101 101 ALA N N 93 122.054 121.190 0.864 1
1 1247 . 14 1 1 A 102 102 SER H H 94 8.061 8.610 -0.549 1
1 1248 . 14 1 1 A 102 102 SER HA H 94 4.451 4.175 0.276 1
1 1251 . 14 1 1 A 102 102 SER C C 94 174.773 173.966 0.807 1
1 1252 . 14 1 1 A 102 102 SER CA C 94 59.086 58.932 0.154 1
1 1253 . 14 1 1 A 102 102 SER CB C 94 63.766 60.780 2.986 1
1 1254 . 14 1 1 A 102 102 SER N N 94 114.102 118.030 -3.928 1
1 1255 . 14 1 1 A 103 103 LEU H H 95 8.053 7.991 0.062 1
1 1256 . 14 1 1 A 103 103 LEU HA H 95 4.507 4.820 -0.313 1
1 1266 . 14 1 1 A 103 103 LEU C C 95 177.589 176.305 1.284 1
1 1267 . 14 1 1 A 103 103 LEU CA C 95 55.398 53.783 1.615 1
1 1268 . 14 1 1 A 103 103 LEU CB C 95 42.435 44.519 -2.084 1
1 1272 . 14 1 1 A 103 103 LEU N N 95 123.264 125.016 -1.752 1
1 1273 . 14 1 1 A 104 104 THR H H 96 8.045 8.581 -0.536 1
1 1274 . 14 1 1 A 104 104 THR HA H 96 4.383 4.474 -0.091 1
1 1279 . 14 1 1 A 104 104 THR C C 96 174.128 173.864 0.264 1
1 1280 . 14 1 1 A 104 104 THR CA C 96 61.982 61.462 0.520 1
1 1281 . 14 1 1 A 104 104 THR CB C 96 69.938 69.871 0.067 1
1 1283 . 14 1 1 A 104 104 THR N N 96 113.833 115.787 -1.954 1
1 1284 . 14 1 1 A 105 105 ASP H H 97 8.346 8.821 -0.475 1
1 1285 . 14 1 1 A 105 105 ASP HA H 97 4.740 4.628 0.112 1
1 1288 . 14 1 1 A 105 105 ASP C C 97 176.310 175.109 1.201 1
1 1289 . 14 1 1 A 105 105 ASP CA C 97 54.300 54.523 -0.223 1
1 1290 . 14 1 1 A 105 105 ASP CB C 97 41.174 40.665 0.509 1
1 1291 . 14 1 1 A 105 105 ASP N N 97 123.107 120.801 2.306 1
1 1292 . 14 1 1 A 106 106 THR H H 98 8.147 8.301 -0.154 1
1 1293 . 14 1 1 A 106 106 THR HA H 98 4.355 4.400 -0.045 1
1 1298 . 14 1 1 A 106 106 THR C C 98 174.523 174.267 0.256 1
1 1299 . 14 1 1 A 106 106 THR CA C 98 61.937 61.945 -0.008 1
1 1300 . 14 1 1 A 106 106 THR CB C 98 69.656 69.539 0.117 1
1 1302 . 14 1 1 A 106 106 THR N N 98 114.857 114.098 0.759 1
1 1303 . 14 1 1 A 107 107 ARG H H 99 8.385 8.601 -0.216 1
1 1304 . 14 1 1 A 107 107 ARG HA H 99 4.442 4.812 -0.370 1
1 1312 . 14 1 1 A 107 107 ARG C C 99 175.764 176.180 -0.416 1
1 1313 . 14 1 1 A 107 107 ARG CA C 99 56.311 54.928 1.383 1
1 1314 . 14 1 1 A 107 107 ARG CB C 99 30.745 32.980 -2.235 1
1 1317 . 14 1 1 A 107 107 ARG N N 99 123.999 125.106 -1.107 1
1 1 . 15 1 1 A 2 2 PRO HA H -6 4.460 4.781 -0.321 1
1 8 . 15 1 1 A 2 2 PRO C C -6 176.875 174.829 2.046 1
1 9 . 15 1 1 A 2 2 PRO CA C -6 63.159 62.415 0.744 1
1 10 . 15 1 1 A 2 2 PRO CB C -6 32.292 29.278 3.014 1
1 13 . 15 1 1 A 3 3 LEU H H -5 8.483 8.636 -0.153 1
1 14 . 15 1 1 A 3 3 LEU HA H -5 4.334 4.804 -0.470 1
1 24 . 15 1 1 A 3 3 LEU C C -5 177.797 176.818 0.979 1
1 25 . 15 1 1 A 3 3 LEU CA C -5 55.474 53.374 2.100 1
1 26 . 15 1 1 A 3 3 LEU CB C -5 42.239 43.981 -1.742 1
1 30 . 15 1 1 A 3 3 LEU N N -5 122.315 124.629 -2.314 1
1 31 . 15 1 1 A 4 4 GLY H H -4 8.393 8.795 -0.402 1
1 32 . 15 1 1 A 4 4 GLY HA2 H -4 3.978 3.980 -0.002 1
1 33 . 15 1 1 A 4 4 GLY HA3 H -4 3.978 3.980 -0.002 1
1 34 . 15 1 1 A 4 4 GLY C C -4 173.730 174.117 -0.387 1
1 35 . 15 1 1 A 4 4 GLY CA C -4 45.158 45.566 -0.408 1
1 36 . 15 1 1 A 4 4 GLY N N -4 109.911 115.289 -5.378 1
1 37 . 15 1 1 A 5 5 SER H H -3 8.162 7.800 0.362 1
1 38 . 15 1 1 A 5 5 SER HA H -3 4.764 4.677 0.087 1
1 41 . 15 1 1 A 5 5 SER CA C -3 56.323 56.396 -0.073 1
1 42 . 15 1 1 A 5 5 SER CB C -3 63.515 63.894 -0.379 1
1 43 . 15 1 1 A 5 5 SER N N -3 116.873 117.236 -0.363 1
1 44 . 15 1 1 A 6 6 PRO HA H -2 4.399 4.615 -0.216 1
1 47 . 15 1 1 A 6 6 PRO C C -2 176.587 176.383 0.204 1
1 48 . 15 1 1 A 6 6 PRO CA C -2 63.552 62.719 0.833 1
1 49 . 15 1 1 A 6 6 PRO CB C -2 31.997 32.016 -0.019 1
1 50 . 15 1 1 A 7 7 GLU H H -1 8.364 8.718 -0.354 1
1 51 . 15 1 1 A 7 7 GLU HA H -1 4.285 4.521 -0.236 1
1 56 . 15 1 1 A 7 7 GLU C C -1 174.954 175.214 -0.260 1
1 57 . 15 1 1 A 7 7 GLU CA C -1 56.486 55.817 0.669 1
1 58 . 15 1 1 A 7 7 GLU CB C -1 29.924 28.360 1.564 1
1 60 . 15 1 1 A 7 7 GLU N N -1 119.665 121.588 -1.923 1
1 61 . 15 1 1 A 8 8 PHE H H 0 7.872 8.843 -0.971 1
1 62 . 15 1 1 A 8 8 PHE HA H 0 5.204 5.806 -0.602 1
1 67 . 15 1 1 A 8 8 PHE C C 0 174.670 173.627 1.043 1
1 68 . 15 1 1 A 8 8 PHE CA C 0 56.861 56.111 0.750 1
1 69 . 15 1 1 A 8 8 PHE CB C 0 41.874 42.169 -0.295 1
1 72 . 15 1 1 A 8 8 PHE N N 0 122.497 125.761 -3.264 1
1 73 . 15 1 1 A 9 9 MET H H 1 7.833 8.755 -0.922 1
1 74 . 15 1 1 A 9 9 MET HA H 1 4.095 4.690 -0.595 1
1 82 . 15 1 1 A 9 9 MET C C 1 171.191 173.542 -2.351 1
1 83 . 15 1 1 A 9 9 MET CA C 1 54.613 53.878 0.735 1
1 84 . 15 1 1 A 9 9 MET CB C 1 34.867 35.414 -0.547 1
1 87 . 15 1 1 A 9 9 MET N N 1 127.163 127.525 -0.362 1
1 88 . 15 1 1 A 10 10 GLU H H 2 7.698 8.551 -0.853 1
1 89 . 15 1 1 A 10 10 GLU HA H 2 5.603 5.174 0.429 1
1 94 . 15 1 1 A 10 10 GLU C C 2 174.743 174.334 0.409 1
1 95 . 15 1 1 A 10 10 GLU CA C 2 53.345 54.270 -0.925 1
1 96 . 15 1 1 A 10 10 GLU CB C 2 32.408 33.679 -1.271 1
1 98 . 15 1 1 A 10 10 GLU N N 2 118.654 121.540 -2.886 1
1 99 . 15 1 1 A 11 11 GLY H H 3 7.994 7.353 0.641 1
1 100 . 15 1 1 A 11 11 GLY HA2 H 3 3.115 3.413 -0.298 1
1 101 . 15 1 1 A 11 11 GLY HA3 H 3 4.377 4.112 0.265 1
1 102 . 15 1 1 A 11 11 GLY C C 3 170.878 171.673 -0.795 1
1 103 . 15 1 1 A 11 11 GLY CA C 3 45.086 44.931 0.155 1
1 104 . 15 1 1 A 11 11 GLY N N 3 108.296 106.015 2.281 1
1 105 . 15 1 1 A 12 12 VAL H H 4 8.463 8.562 -0.099 1
1 106 . 15 1 1 A 12 12 VAL HA H 4 4.969 5.614 -0.645 1
1 114 . 15 1 1 A 12 12 VAL C C 4 177.805 174.242 3.563 1
1 115 . 15 1 1 A 12 12 VAL CA C 4 62.373 59.232 3.141 1
1 116 . 15 1 1 A 12 12 VAL CB C 4 33.152 35.168 -2.016 1
1 119 . 15 1 1 A 12 12 VAL N N 4 119.624 116.247 3.377 1
1 120 . 15 1 1 A 13 13 LEU H H 5 8.647 8.954 -0.307 1
1 121 . 15 1 1 A 13 13 LEU HA H 5 4.382 5.159 -0.777 1
1 131 . 15 1 1 A 13 13 LEU C C 5 175.407 176.014 -0.607 1
1 132 . 15 1 1 A 13 13 LEU CA C 5 54.139 53.679 0.460 1
1 133 . 15 1 1 A 13 13 LEU CB C 5 46.374 45.648 0.726 1
1 137 . 15 1 1 A 13 13 LEU N N 5 125.806 122.535 3.271 1
1 138 . 15 1 1 A 14 14 TYR H H 6 9.007 9.613 -0.606 1
1 139 . 15 1 1 A 14 14 TYR HA H 6 5.026 5.290 -0.264 1
1 144 . 15 1 1 A 14 14 TYR C C 6 175.047 175.304 -0.257 1
1 145 . 15 1 1 A 14 14 TYR CA C 6 57.484 58.751 -1.267 1
1 146 . 15 1 1 A 14 14 TYR CB C 6 39.400 37.926 1.474 1
1 147 . 15 1 1 A 14 14 TYR N N 6 118.975 121.868 -2.893 1
1 148 . 15 1 1 A 15 15 LYS H H 7 9.549 8.993 0.556 1
1 149 . 15 1 1 A 15 15 LYS HA H 7 5.467 5.091 0.376 1
1 158 . 15 1 1 A 15 15 LYS C C 7 175.772 176.648 -0.876 1
1 159 . 15 1 1 A 15 15 LYS CA C 7 54.136 54.939 -0.803 1
1 160 . 15 1 1 A 15 15 LYS CB C 7 37.043 34.575 2.468 1
1 164 . 15 1 1 A 15 15 LYS N N 7 123.867 126.320 -2.453 1
1 165 . 15 1 1 A 16 16 TRP H H 8 8.355 9.188 -0.833 1
1 166 . 15 1 1 A 16 16 TRP HA H 8 3.893 4.914 -1.021 1
1 175 . 15 1 1 A 16 16 TRP C C 8 176.038 176.413 -0.375 1
1 176 . 15 1 1 A 16 16 TRP CA C 8 57.880 58.189 -0.309 1
1 177 . 15 1 1 A 16 16 TRP CB C 8 29.347 30.583 -1.236 1
1 183 . 15 1 1 A 16 16 TRP N N 8 129.111 129.477 -0.366 1
1 185 . 15 1 1 A 17 17 THR H H 9 6.754 8.225 -1.471 1
1 186 . 15 1 1 A 17 17 THR HA H 9 4.127 4.484 -0.357 1
1 191 . 15 1 1 A 17 17 THR C C 9 172.153 174.269 -2.116 1
1 192 . 15 1 1 A 17 17 THR CA C 9 61.413 62.002 -0.589 1
1 193 . 15 1 1 A 17 17 THR CB C 9 69.317 69.478 -0.161 1
1 195 . 15 1 1 A 17 17 THR N N 9 121.030 118.076 2.954 1
1 196 . 15 1 1 A 18 18 ASN H H 10 7.418 7.076 0.342 1
1 197 . 15 1 1 A 18 18 ASN HA H 10 4.051 5.136 -1.085 1
1 202 . 15 1 1 A 18 18 ASN C C 10 174.308 175.375 -1.067 1
1 203 . 15 1 1 A 18 18 ASN CA C 10 52.089 51.620 0.469 1
1 204 . 15 1 1 A 18 18 ASN CB C 10 39.339 41.971 -2.632 1
1 205 . 15 1 1 A 18 18 ASN N N 10 115.655 116.889 -1.234 1
1 207 . 15 1 1 A 19 19 TYR H H 11 8.348 9.220 -0.872 1
1 208 . 15 1 1 A 19 19 TYR HA H 11 4.284 4.499 -0.215 1
1 215 . 15 1 1 A 19 19 TYR C C 11 175.974 177.191 -1.217 1
1 216 . 15 1 1 A 19 19 TYR CA C 11 60.774 60.276 0.498 1
1 217 . 15 1 1 A 19 19 TYR CB C 11 37.815 38.033 -0.218 1
1 222 . 15 1 1 A 19 19 TYR N N 11 115.508 121.316 -5.808 1
1 223 . 15 1 1 A 20 20 LEU H H 12 7.827 7.526 0.301 1
1 224 . 15 1 1 A 20 20 LEU HA H 12 4.091 3.878 0.213 1
1 234 . 15 1 1 A 20 20 LEU C C 12 178.711 178.511 0.200 1
1 235 . 15 1 1 A 20 20 LEU CA C 12 56.966 57.557 -0.591 1
1 236 . 15 1 1 A 20 20 LEU CB C 12 41.922 41.767 0.155 1
1 240 . 15 1 1 A 20 20 LEU N N 12 120.867 122.015 -1.148 1
1 241 . 15 1 1 A 21 21 THR H H 13 7.651 7.675 -0.024 1
1 242 . 15 1 1 A 21 21 THR HA H 13 4.162 4.285 -0.123 1
1 247 . 15 1 1 A 21 21 THR C C 13 175.842 174.435 1.407 1
1 248 . 15 1 1 A 21 21 THR CA C 13 62.159 62.280 -0.121 1
1 249 . 15 1 1 A 21 21 THR CB C 13 69.191 70.411 -1.220 1
1 251 . 15 1 1 A 21 21 THR N N 13 108.304 106.937 1.367 1
1 252 . 15 1 1 A 22 22 GLY H H 14 7.679 7.973 -0.294 1
1 253 . 15 1 1 A 22 22 GLY HA2 H 14 2.802 3.454 -0.652 1
1 254 . 15 1 1 A 22 22 GLY HA3 H 14 3.715 3.907 -0.192 1
1 255 . 15 1 1 A 22 22 GLY C C 14 175.108 173.372 1.736 1
1 256 . 15 1 1 A 22 22 GLY CA C 14 46.131 46.246 -0.115 1
1 257 . 15 1 1 A 22 22 GLY N N 14 109.901 110.144 -0.243 1
1 258 . 15 1 1 A 23 23 TRP H H 15 8.817 8.200 0.617 1
1 259 . 15 1 1 A 23 23 TRP HA H 15 4.724 5.372 -0.648 1
1 268 . 15 1 1 A 23 23 TRP C C 15 176.569 175.300 1.269 1
1 269 . 15 1 1 A 23 23 TRP CA C 15 56.897 55.127 1.770 1
1 270 . 15 1 1 A 23 23 TRP CB C 15 29.825 32.433 -2.608 1
1 275 . 15 1 1 A 23 23 TRP N N 15 126.927 122.444 4.483 1
1 277 . 15 1 1 A 24 24 GLN H H 16 8.931 9.064 -0.133 1
1 278 . 15 1 1 A 24 24 GLN HA H 16 5.186 4.180 1.006 1
1 285 . 15 1 1 A 24 24 GLN CA C 16 52.369 51.672 0.697 1
1 286 . 15 1 1 A 24 24 GLN CB C 16 31.536 30.597 0.939 1
1 288 . 15 1 1 A 24 24 GLN N N 16 122.710 120.332 2.378 1
1 290 . 15 1 1 A 25 25 PRO HA H 17 4.206 4.996 -0.790 1
1 297 . 15 1 1 A 25 25 PRO C C 17 176.918 176.004 0.914 1
1 298 . 15 1 1 A 25 25 PRO CA C 17 62.894 63.172 -0.278 1
1 299 . 15 1 1 A 25 25 PRO CB C 17 31.444 31.654 -0.210 1
1 302 . 15 1 1 A 26 26 ARG H H 18 9.041 8.559 0.482 1
1 303 . 15 1 1 A 26 26 ARG HA H 18 4.857 4.885 -0.028 1
1 310 . 15 1 1 A 26 26 ARG C C 18 173.102 174.388 -1.286 1
1 311 . 15 1 1 A 26 26 ARG CA C 18 53.273 54.469 -1.196 1
1 312 . 15 1 1 A 26 26 ARG CB C 18 34.254 33.896 0.358 1
1 315 . 15 1 1 A 26 26 ARG N N 18 123.602 123.135 0.467 1
1 316 . 15 1 1 A 27 27 TRP H H 19 8.375 8.768 -0.393 1
1 317 . 15 1 1 A 27 27 TRP HA H 19 5.077 5.369 -0.292 1
1 326 . 15 1 1 A 27 27 TRP C C 19 174.728 174.745 -0.017 1
1 327 . 15 1 1 A 27 27 TRP CA C 19 56.157 56.336 -0.179 1
1 328 . 15 1 1 A 27 27 TRP CB C 19 31.116 30.978 0.138 1
1 334 . 15 1 1 A 27 27 TRP N N 19 121.669 125.168 -3.499 1
1 336 . 15 1 1 A 28 28 PHE H H 20 9.016 9.374 -0.358 1
1 337 . 15 1 1 A 28 28 PHE HA H 20 5.385 5.600 -0.215 1
1 345 . 15 1 1 A 28 28 PHE C C 20 174.685 174.367 0.318 1
1 346 . 15 1 1 A 28 28 PHE CA C 20 56.699 56.831 -0.132 1
1 347 . 15 1 1 A 28 28 PHE CB C 20 43.155 43.024 0.131 1
1 353 . 15 1 1 A 28 28 PHE N N 20 128.520 126.415 2.105 1
1 354 . 15 1 1 A 29 29 VAL H H 21 9.058 9.242 -0.184 1
1 355 . 15 1 1 A 29 29 VAL HA H 21 4.681 5.137 -0.456 1
1 363 . 15 1 1 A 29 29 VAL C C 21 174.804 174.005 0.799 1
1 364 . 15 1 1 A 29 29 VAL CA C 21 61.719 59.868 1.851 1
1 365 . 15 1 1 A 29 29 VAL CB C 21 36.416 35.580 0.836 1
1 368 . 15 1 1 A 29 29 VAL N N 21 117.562 116.458 1.104 1
1 369 . 15 1 1 A 30 30 LEU H H 22 9.543 9.475 0.068 1
1 370 . 15 1 1 A 30 30 LEU HA H 22 5.311 5.347 -0.036 1
1 380 . 15 1 1 A 30 30 LEU C C 22 173.506 174.985 -1.479 1
1 381 . 15 1 1 A 30 30 LEU CA C 22 53.213 53.909 -0.696 1
1 382 . 15 1 1 A 30 30 LEU CB C 22 44.939 44.255 0.684 1
1 386 . 15 1 1 A 30 30 LEU N N 22 131.939 127.510 4.429 1
1 387 . 15 1 1 A 31 31 ASP H H 23 8.513 9.413 -0.900 1
1 388 . 15 1 1 A 31 31 ASP HA H 23 5.151 5.260 -0.109 1
1 391 . 15 1 1 A 31 31 ASP C C 23 176.940 175.005 1.935 1
1 392 . 15 1 1 A 31 31 ASP CA C 23 53.671 53.951 -0.280 1
1 393 . 15 1 1 A 31 31 ASP CB C 23 43.770 43.499 0.271 1
1 394 . 15 1 1 A 31 31 ASP N N 23 121.978 125.146 -3.168 1
1 395 . 15 1 1 A 32 32 ASN H H 24 9.280 9.188 0.092 1
1 396 . 15 1 1 A 32 32 ASN HA H 24 4.421 4.564 -0.143 1
1 401 . 15 1 1 A 32 32 ASN C C 24 175.044 175.474 -0.430 1
1 402 . 15 1 1 A 32 32 ASN CA C 24 54.362 54.446 -0.084 1
1 403 . 15 1 1 A 32 32 ASN CB C 24 37.804 37.420 0.384 1
1 404 . 15 1 1 A 32 32 ASN N N 24 125.653 126.057 -0.404 1
1 406 . 15 1 1 A 33 33 GLY H H 25 8.997 8.606 0.391 1
1 407 . 15 1 1 A 33 33 GLY HA2 H 25 3.581 3.826 -0.245 1
1 408 . 15 1 1 A 33 33 GLY HA3 H 25 4.154 3.828 0.326 1
1 409 . 15 1 1 A 33 33 GLY C C 25 173.215 173.745 -0.530 1
1 410 . 15 1 1 A 33 33 GLY CA C 25 45.930 45.478 0.452 1
1 411 . 15 1 1 A 33 33 GLY N N 25 102.623 104.362 -1.739 1
1 412 . 15 1 1 A 34 34 ILE H H 26 7.955 8.042 -0.087 1
1 413 . 15 1 1 A 34 34 ILE HA H 26 4.771 4.428 0.343 1
1 423 . 15 1 1 A 34 34 ILE C C 26 174.753 173.859 0.894 1
1 424 . 15 1 1 A 34 34 ILE CA C 26 59.201 60.506 -1.305 1
1 425 . 15 1 1 A 34 34 ILE CB C 26 39.393 40.539 -1.146 1
1 429 . 15 1 1 A 34 34 ILE N N 26 122.350 122.819 -0.469 1
1 430 . 15 1 1 A 35 35 LEU H H 27 9.274 9.547 -0.273 1
1 431 . 15 1 1 A 35 35 LEU HA H 27 5.441 5.462 -0.021 1
1 441 . 15 1 1 A 35 35 LEU C C 27 175.131 175.100 0.031 1
1 442 . 15 1 1 A 35 35 LEU CA C 27 53.160 53.587 -0.427 1
1 443 . 15 1 1 A 35 35 LEU CB C 27 44.532 44.626 -0.094 1
1 447 . 15 1 1 A 35 35 LEU N N 27 132.013 131.051 0.962 1
1 448 . 15 1 1 A 36 36 SER H H 28 9.668 9.396 0.272 1
1 449 . 15 1 1 A 36 36 SER HA H 28 5.379 5.221 0.158 1
1 452 . 15 1 1 A 36 36 SER C C 28 171.968 173.577 -1.609 1
1 453 . 15 1 1 A 36 36 SER CA C 28 57.345 57.595 -0.250 1
1 454 . 15 1 1 A 36 36 SER CB C 28 66.044 64.946 1.098 1
1 455 . 15 1 1 A 36 36 SER N N 28 123.682 124.873 -1.191 1
1 456 . 15 1 1 A 37 37 TYR H H 29 7.452 8.363 -0.911 1
1 457 . 15 1 1 A 37 37 TYR HA H 29 5.658 5.674 -0.016 1
1 464 . 15 1 1 A 37 37 TYR C C 29 172.731 173.894 -1.163 1
1 465 . 15 1 1 A 37 37 TYR CA C 29 54.632 55.118 -0.486 1
1 466 . 15 1 1 A 37 37 TYR CB C 29 39.599 41.503 -1.904 1
1 471 . 15 1 1 A 37 37 TYR N N 29 115.554 121.036 -5.482 1
1 472 . 15 1 1 A 38 38 TYR H H 30 9.116 8.921 0.195 1
1 473 . 15 1 1 A 38 38 TYR HA H 30 4.626 4.924 -0.298 1
1 480 . 15 1 1 A 38 38 TYR C C 30 175.771 175.621 0.150 1
1 481 . 15 1 1 A 38 38 TYR CA C 30 56.194 56.901 -0.707 1
1 482 . 15 1 1 A 38 38 TYR CB C 30 43.253 42.675 0.578 1
1 487 . 15 1 1 A 38 38 TYR N N 30 117.937 119.648 -1.711 1
1 488 . 15 1 1 A 39 39 ASP H H 31 9.474 9.279 0.195 1
1 489 . 15 1 1 A 39 39 ASP HA H 31 4.624 4.606 0.018 1
1 492 . 15 1 1 A 39 39 ASP C C 31 176.264 175.910 0.354 1
1 493 . 15 1 1 A 39 39 ASP CA C 31 58.144 56.226 1.918 1
1 494 . 15 1 1 A 39 39 ASP CB C 31 40.399 42.031 -1.632 1
1 495 . 15 1 1 A 39 39 ASP N N 31 121.988 122.025 -0.037 1
1 496 . 15 1 1 A 40 40 SER H H 32 7.511 8.000 -0.489 1
1 497 . 15 1 1 A 40 40 SER HA H 32 4.567 4.606 -0.039 1
1 500 . 15 1 1 A 40 40 SER C C 32 173.752 174.067 -0.315 1
1 501 . 15 1 1 A 40 40 SER CA C 32 57.211 56.991 0.220 1
1 502 . 15 1 1 A 40 40 SER CB C 32 65.547 65.018 0.529 1
1 503 . 15 1 1 A 40 40 SER N N 32 107.441 108.497 -1.056 1
1 504 . 15 1 1 A 41 41 GLN H H 33 8.828 8.552 0.276 1
1 505 . 15 1 1 A 41 41 GLN HA H 33 2.511 3.163 -0.652 1
1 512 . 15 1 1 A 41 41 GLN C C 33 177.001 176.970 0.031 1
1 513 . 15 1 1 A 41 41 GLN CA C 33 58.261 58.802 -0.541 1
1 514 . 15 1 1 A 41 41 GLN CB C 33 27.168 27.969 -0.801 1
1 516 . 15 1 1 A 41 41 GLN N N 33 123.170 119.261 3.909 1
1 518 . 15 1 1 A 42 42 ASP H H 34 7.774 8.304 -0.530 1
1 519 . 15 1 1 A 42 42 ASP HA H 34 4.289 4.271 0.018 1
1 522 . 15 1 1 A 42 42 ASP C C 34 176.567 177.774 -1.207 1
1 523 . 15 1 1 A 42 42 ASP CA C 34 55.710 57.937 -2.227 1
1 524 . 15 1 1 A 42 42 ASP CB C 34 40.459 42.416 -1.957 1
1 525 . 15 1 1 A 42 42 ASP N N 34 116.558 119.347 -2.789 1
1 526 . 15 1 1 A 43 43 ASP H H 35 7.388 8.011 -0.623 1
1 527 . 15 1 1 A 43 43 ASP HA H 35 4.755 4.375 0.380 1
1 530 . 15 1 1 A 43 43 ASP C C 35 177.129 178.821 -1.692 1
1 531 . 15 1 1 A 43 43 ASP CA C 35 54.563 56.343 -1.780 1
1 532 . 15 1 1 A 43 43 ASP CB C 35 42.434 40.853 1.581 1
1 533 . 15 1 1 A 43 43 ASP N N 35 117.173 119.422 -2.249 1
1 534 . 15 1 1 A 44 44 VAL H H 36 7.063 7.485 -0.422 1
1 535 . 15 1 1 A 44 44 VAL HA H 36 3.372 1.948 1.424 1
1 543 . 15 1 1 A 44 44 VAL C C 36 178.169 177.627 0.542 1
1 544 . 15 1 1 A 44 44 VAL CA C 36 65.325 65.678 -0.353 1
1 545 . 15 1 1 A 44 44 VAL CB C 36 31.179 30.877 0.302 1
1 548 . 15 1 1 A 44 44 VAL N N 36 121.695 119.228 2.467 1
1 549 . 15 1 1 A 45 45 CYS H H 37 8.133 8.112 0.021 1
1 550 . 15 1 1 A 45 45 CYS HA H 37 4.425 4.098 0.327 1
1 553 . 15 1 1 A 45 45 CYS C C 37 175.083 177.091 -2.008 1
1 554 . 15 1 1 A 45 45 CYS CA C 37 59.202 62.244 -3.042 1
1 555 . 15 1 1 A 45 45 CYS CB C 37 27.101 27.034 0.067 1
1 556 . 15 1 1 A 45 45 CYS N N 37 115.191 119.624 -4.433 1
1 557 . 15 1 1 A 46 46 LYS H H 38 7.844 7.672 0.172 1
1 558 . 15 1 1 A 46 46 LYS HA H 38 4.428 4.108 0.320 1
1 567 . 15 1 1 A 46 46 LYS C C 38 177.049 177.303 -0.254 1
1 568 . 15 1 1 A 46 46 LYS CA C 38 56.787 57.614 -0.827 1
1 569 . 15 1 1 A 46 46 LYS CB C 38 33.119 32.922 0.197 1
1 573 . 15 1 1 A 46 46 LYS N N 38 121.496 117.769 3.727 1
1 574 . 15 1 1 A 47 47 GLY H H 39 7.759 7.634 0.125 1
1 575 . 15 1 1 A 47 47 GLY HA2 H 39 4.022 4.161 -0.139 1
1 576 . 15 1 1 A 47 47 GLY HA3 H 39 4.542 4.333 0.209 1
1 577 . 15 1 1 A 47 47 GLY C C 39 173.037 173.244 -0.207 1
1 578 . 15 1 1 A 47 47 GLY CA C 39 44.261 45.002 -0.741 1
1 579 . 15 1 1 A 47 47 GLY N N 39 107.270 105.725 1.545 1
1 580 . 15 1 1 A 48 48 SER H H 40 8.478 8.547 -0.069 1
1 581 . 15 1 1 A 48 48 SER HA H 40 3.783 4.304 -0.521 1
1 584 . 15 1 1 A 48 48 SER C C 40 175.221 174.361 0.860 1
1 585 . 15 1 1 A 48 48 SER CA C 40 57.947 59.069 -1.122 1
1 586 . 15 1 1 A 48 48 SER CB C 40 63.811 63.124 0.687 1
1 587 . 15 1 1 A 48 48 SER N N 40 116.121 118.211 -2.090 1
1 588 . 15 1 1 A 49 49 LYS H H 41 8.394 8.666 -0.272 1
1 589 . 15 1 1 A 49 49 LYS HA H 41 4.188 4.404 -0.216 1
1 598 . 15 1 1 A 49 49 LYS C C 41 176.470 176.434 0.036 1
1 599 . 15 1 1 A 49 49 LYS CA C 41 55.331 56.786 -1.455 1
1 600 . 15 1 1 A 49 49 LYS CB C 41 32.293 33.037 -0.744 1
1 604 . 15 1 1 A 49 49 LYS N N 41 120.990 124.989 -3.999 1
1 605 . 15 1 1 A 50 50 GLY H H 42 6.747 7.395 -0.648 1
1 606 . 15 1 1 A 50 50 GLY HA2 H 42 3.531 4.080 -0.549 1
1 607 . 15 1 1 A 50 50 GLY HA3 H 42 3.884 4.138 -0.254 1
1 608 . 15 1 1 A 50 50 GLY C C 42 170.967 171.670 -0.703 1
1 609 . 15 1 1 A 50 50 GLY CA C 42 45.060 44.730 0.330 1
1 610 . 15 1 1 A 50 50 GLY N N 42 106.048 105.798 0.250 1
1 611 . 15 1 1 A 51 51 SER H H 43 8.158 8.857 -0.699 1
1 612 . 15 1 1 A 51 51 SER HA H 43 5.343 5.138 0.205 1
1 615 . 15 1 1 A 51 51 SER C C 43 172.787 172.444 0.343 1
1 616 . 15 1 1 A 51 51 SER CA C 43 57.639 57.273 0.366 1
1 617 . 15 1 1 A 51 51 SER CB C 43 65.897 66.955 -1.058 1
1 618 . 15 1 1 A 51 51 SER N N 43 113.080 118.201 -5.121 1
1 619 . 15 1 1 A 52 52 ILE H H 44 9.306 9.130 0.176 1
1 620 . 15 1 1 A 52 52 ILE HA H 44 4.203 4.714 -0.511 1
1 630 . 15 1 1 A 52 52 ILE C C 44 174.340 174.689 -0.349 1
1 631 . 15 1 1 A 52 52 ILE CA C 44 60.326 60.453 -0.127 1
1 632 . 15 1 1 A 52 52 ILE CB C 44 42.302 39.141 3.161 1
1 636 . 15 1 1 A 52 52 ILE N N 44 123.385 122.093 1.292 1
1 637 . 15 1 1 A 53 53 LYS H H 45 8.495 8.705 -0.210 1
1 638 . 15 1 1 A 53 53 LYS HA H 45 4.444 4.604 -0.160 1
1 647 . 15 1 1 A 53 53 LYS C C 45 176.283 176.350 -0.067 1
1 648 . 15 1 1 A 53 53 LYS CA C 45 56.255 56.309 -0.054 1
1 649 . 15 1 1 A 53 53 LYS CB C 45 32.258 32.572 -0.314 1
1 653 . 15 1 1 A 53 53 LYS N N 45 127.498 129.232 -1.734 1
1 654 . 15 1 1 A 54 54 MET H H 46 8.190 8.593 -0.403 1
1 655 . 15 1 1 A 54 54 MET HA H 46 4.585 4.138 0.447 1
1 663 . 15 1 1 A 54 54 MET C C 46 178.779 178.021 0.758 1
1 664 . 15 1 1 A 54 54 MET CA C 46 55.549 58.651 -3.102 1
1 665 . 15 1 1 A 54 54 MET CB C 46 29.465 31.848 -2.383 1
1 668 . 15 1 1 A 54 54 MET N N 46 123.817 125.550 -1.733 1
1 669 . 15 1 1 A 55 55 ALA H H 47 8.860 7.789 1.071 1
1 670 . 15 1 1 A 55 55 ALA HA H 47 4.142 4.155 -0.013 1
1 674 . 15 1 1 A 55 55 ALA C C 47 178.752 177.860 0.892 1
1 675 . 15 1 1 A 55 55 ALA CA C 47 55.004 54.293 0.711 1
1 676 . 15 1 1 A 55 55 ALA CB C 47 19.312 18.407 0.905 1
1 677 . 15 1 1 A 55 55 ALA N N 47 119.194 121.000 -1.806 1
1 678 . 15 1 1 A 56 56 VAL H H 48 7.127 7.988 -0.861 1
1 679 . 15 1 1 A 56 56 VAL HA H 48 4.592 4.378 0.214 1
1 687 . 15 1 1 A 56 56 VAL C C 48 174.965 175.578 -0.613 1
1 688 . 15 1 1 A 56 56 VAL CA C 48 60.038 61.522 -1.484 1
1 689 . 15 1 1 A 56 56 VAL CB C 48 31.878 33.564 -1.686 1
1 692 . 15 1 1 A 56 56 VAL N N 48 105.989 116.848 -10.859 1
1 693 . 15 1 1 A 57 57 CYS H H 49 7.414 7.621 -0.207 1
1 694 . 15 1 1 A 57 57 CYS HA H 49 4.897 5.230 -0.333 1
1 697 . 15 1 1 A 57 57 CYS C C 49 173.836 173.073 0.763 1
1 698 . 15 1 1 A 57 57 CYS CA C 49 58.123 57.353 0.770 1
1 699 . 15 1 1 A 57 57 CYS CB C 49 30.078 30.796 -0.718 1
1 700 . 15 1 1 A 57 57 CYS N N 49 119.973 120.573 -0.600 1
1 701 . 15 1 1 A 58 58 GLU H H 50 8.852 9.012 -0.160 1
1 702 . 15 1 1 A 58 58 GLU HA H 50 4.674 4.694 -0.020 1
1 707 . 15 1 1 A 58 58 GLU C C 50 175.085 175.196 -0.111 1
1 708 . 15 1 1 A 58 58 GLU CA C 50 54.809 56.188 -1.379 1
1 709 . 15 1 1 A 58 58 GLU CB C 50 31.856 31.076 0.780 1
1 711 . 15 1 1 A 58 58 GLU N N 50 124.719 125.801 -1.082 1
1 712 . 15 1 1 A 59 59 ILE H H 51 8.731 8.782 -0.051 1
1 713 . 15 1 1 A 59 59 ILE HA H 51 4.625 4.907 -0.282 1
1 723 . 15 1 1 A 59 59 ILE C C 51 175.513 174.390 1.123 1
1 724 . 15 1 1 A 59 59 ILE CA C 51 60.675 60.139 0.536 1
1 725 . 15 1 1 A 59 59 ILE CB C 51 39.717 39.893 -0.176 1
1 729 . 15 1 1 A 59 59 ILE N N 51 124.286 125.005 -0.719 1
1 730 . 15 1 1 A 60 60 LYS H H 52 9.212 9.221 -0.009 1
1 731 . 15 1 1 A 60 60 LYS HA H 52 4.829 4.577 0.252 1
1 740 . 15 1 1 A 60 60 LYS C C 52 175.594 175.314 0.280 1
1 741 . 15 1 1 A 60 60 LYS CA C 52 54.490 55.967 -1.477 1
1 742 . 15 1 1 A 60 60 LYS CB C 52 34.908 32.870 2.038 1
1 746 . 15 1 1 A 60 60 LYS N N 52 128.004 129.024 -1.020 1
1 747 . 15 1 1 A 61 61 VAL H H 53 8.776 8.779 -0.003 1
1 748 . 15 1 1 A 61 61 VAL HA H 53 4.087 4.790 -0.703 1
1 756 . 15 1 1 A 61 61 VAL C C 53 175.262 174.734 0.528 1
1 757 . 15 1 1 A 61 61 VAL CA C 53 62.067 61.249 0.818 1
1 758 . 15 1 1 A 61 61 VAL CB C 53 33.296 34.253 -0.957 1
1 761 . 15 1 1 A 61 61 VAL N N 53 124.000 124.588 -0.588 1
1 762 . 15 1 1 A 62 62 HIS H H 54 7.677 8.895 -1.218 1
1 763 . 15 1 1 A 62 62 HIS HA H 54 4.456 4.964 -0.508 1
1 766 . 15 1 1 A 62 62 HIS C C 54 176.465 174.906 1.559 1
1 767 . 15 1 1 A 62 62 HIS CA C 54 57.986 54.715 3.271 1
1 768 . 15 1 1 A 62 62 HIS CB C 54 32.369 32.408 -0.039 1
1 769 . 15 1 1 A 62 62 HIS N N 54 127.177 125.640 1.537 1
1 770 . 15 1 1 A 63 63 SER H H 55 8.552 8.763 -0.211 1
1 771 . 15 1 1 A 63 63 SER HA H 55 4.251 4.071 0.180 1
1 774 . 15 1 1 A 63 63 SER C C 55 174.509 173.585 0.924 1
1 775 . 15 1 1 A 63 63 SER CA C 55 60.312 60.621 -0.309 1
1 776 . 15 1 1 A 63 63 SER CB C 55 63.609 61.915 1.694 1
1 777 . 15 1 1 A 63 63 SER N N 55 120.508 115.371 5.137 1
1 778 . 15 1 1 A 64 64 ALA H H 56 8.807 8.406 0.401 1
1 779 . 15 1 1 A 64 64 ALA HA H 56 4.553 4.689 -0.136 1
1 783 . 15 1 1 A 64 64 ALA C C 56 176.763 176.638 0.125 1
1 784 . 15 1 1 A 64 64 ALA CA C 56 53.183 50.678 2.505 1
1 785 . 15 1 1 A 64 64 ALA CB C 56 20.619 19.155 1.464 1
1 786 . 15 1 1 A 64 64 ALA N N 56 124.728 124.917 -0.189 1
1 787 . 15 1 1 A 65 65 ASP H H 57 8.762 7.969 0.793 1
1 788 . 15 1 1 A 65 65 ASP HA H 57 4.689 4.887 -0.198 1
1 791 . 15 1 1 A 65 65 ASP C C 57 176.322 176.162 0.160 1
1 792 . 15 1 1 A 65 65 ASP CA C 57 52.911 53.486 -0.575 1
1 793 . 15 1 1 A 65 65 ASP CB C 57 41.216 42.502 -1.286 1
1 794 . 15 1 1 A 65 65 ASP N N 57 120.574 119.829 0.745 1
1 795 . 15 1 1 A 66 66 ASN H H 58 8.457 8.644 -0.187 1
1 796 . 15 1 1 A 66 66 ASN HA H 58 4.580 4.900 -0.320 1
1 801 . 15 1 1 A 66 66 ASN C C 58 174.296 174.518 -0.222 1
1 802 . 15 1 1 A 66 66 ASN CA C 58 54.146 52.554 1.592 1
1 803 . 15 1 1 A 66 66 ASN CB C 58 37.538 39.822 -2.284 1
1 804 . 15 1 1 A 66 66 ASN N N 58 122.233 117.602 4.631 1
1 806 . 15 1 1 A 67 67 THR H H 59 8.411 8.335 0.076 1
1 807 . 15 1 1 A 67 67 THR HA H 59 4.284 4.283 0.001 1
1 812 . 15 1 1 A 67 67 THR C C 59 175.932 174.176 1.756 1
1 813 . 15 1 1 A 67 67 THR CA C 59 62.159 61.903 0.256 1
1 814 . 15 1 1 A 67 67 THR CB C 59 70.025 68.687 1.338 1
1 816 . 15 1 1 A 67 67 THR N N 59 104.777 113.957 -9.180 1
1 817 . 15 1 1 A 68 68 ARG H H 60 7.589 8.465 -0.876 1
1 818 . 15 1 1 A 68 68 ARG HA H 60 5.044 5.020 0.024 1
1 825 . 15 1 1 A 68 68 ARG C C 60 176.482 174.409 2.073 1
1 826 . 15 1 1 A 68 68 ARG CA C 60 56.516 55.133 1.383 1
1 827 . 15 1 1 A 68 68 ARG CB C 60 34.348 31.699 2.649 1
1 830 . 15 1 1 A 68 68 ARG N N 60 122.336 124.494 -2.158 1
1 831 . 15 1 1 A 69 69 MET H H 61 9.018 8.269 0.749 1
1 832 . 15 1 1 A 69 69 MET HA H 61 4.997 5.217 -0.220 1
1 840 . 15 1 1 A 69 69 MET C C 61 172.463 174.333 -1.870 1
1 841 . 15 1 1 A 69 69 MET CA C 61 55.330 54.098 1.232 1
1 842 . 15 1 1 A 69 69 MET CB C 61 37.234 37.067 0.167 1
1 845 . 15 1 1 A 69 69 MET N N 61 119.640 123.629 -3.989 1
1 846 . 15 1 1 A 70 70 GLU H H 62 8.996 9.022 -0.026 1
1 847 . 15 1 1 A 70 70 GLU HA H 62 5.365 5.045 0.320 1
1 852 . 15 1 1 A 70 70 GLU C C 62 173.523 174.823 -1.300 1
1 853 . 15 1 1 A 70 70 GLU CA C 62 54.326 54.710 -0.384 1
1 854 . 15 1 1 A 70 70 GLU CB C 62 33.915 33.386 0.529 1
1 856 . 15 1 1 A 70 70 GLU N N 62 122.200 124.448 -2.248 1
1 857 . 15 1 1 A 71 71 LEU H H 63 8.763 9.227 -0.464 1
1 858 . 15 1 1 A 71 71 LEU HA H 63 5.222 5.203 0.019 1
1 868 . 15 1 1 A 71 71 LEU C C 63 175.719 174.919 0.800 1
1 869 . 15 1 1 A 71 71 LEU CA C 63 53.222 53.586 -0.364 1
1 870 . 15 1 1 A 71 71 LEU CB C 63 43.781 42.881 0.900 1
1 874 . 15 1 1 A 71 71 LEU N N 63 123.741 127.124 -3.383 1
1 875 . 15 1 1 A 72 72 ILE H H 64 9.006 9.308 -0.302 1
1 876 . 15 1 1 A 72 72 ILE HA H 64 4.316 5.089 -0.773 1
1 886 . 15 1 1 A 72 72 ILE C C 64 175.349 173.551 1.798 1
1 887 . 15 1 1 A 72 72 ILE CA C 64 60.921 60.275 0.646 1
1 888 . 15 1 1 A 72 72 ILE CB C 64 39.919 40.927 -1.008 1
1 892 . 15 1 1 A 72 72 ILE N N 64 123.633 126.558 -2.925 1
1 893 . 15 1 1 A 73 73 ILE H H 65 8.601 9.048 -0.447 1
1 894 . 15 1 1 A 73 73 ILE HA H 65 4.854 4.795 0.059 1
1 904 . 15 1 1 A 73 73 ILE CA C 65 58.440 57.404 1.036 1
1 905 . 15 1 1 A 73 73 ILE CB C 65 39.820 41.165 -1.345 1
1 909 . 15 1 1 A 73 73 ILE N N 65 128.410 129.657 -1.247 1
1 910 . 15 1 1 A 74 74 PRO HA H 66 4.265 4.285 -0.020 1
1 917 . 15 1 1 A 74 74 PRO C C 66 177.170 177.434 -0.264 1
1 918 . 15 1 1 A 74 74 PRO CA C 66 64.500 64.145 0.355 1
1 919 . 15 1 1 A 74 74 PRO CB C 66 31.826 31.480 0.346 1
1 922 . 15 1 1 A 75 75 GLY H H 67 8.704 8.496 0.208 1
1 923 . 15 1 1 A 75 75 GLY HA2 H 67 3.753 3.942 -0.189 1
1 924 . 15 1 1 A 75 75 GLY HA3 H 67 4.251 3.955 0.296 1
1 925 . 15 1 1 A 75 75 GLY C C 67 174.192 175.312 -1.120 1
1 926 . 15 1 1 A 75 75 GLY CA C 67 45.479 45.698 -0.219 1
1 927 . 15 1 1 A 75 75 GLY N N 67 111.825 112.174 -0.349 1
1 928 . 15 1 1 A 76 76 GLU H H 68 8.258 7.678 0.580 1
1 929 . 15 1 1 A 76 76 GLU HA H 68 4.483 4.388 0.095 1
1 934 . 15 1 1 A 76 76 GLU C C 68 175.838 177.111 -1.273 1
1 935 . 15 1 1 A 76 76 GLU CA C 68 56.178 58.284 -2.106 1
1 936 . 15 1 1 A 76 76 GLU CB C 68 31.066 30.282 0.784 1
1 938 . 15 1 1 A 76 76 GLU N N 68 118.446 119.219 -0.773 1
1 939 . 15 1 1 A 77 77 GLN H H 69 8.102 7.870 0.232 1
1 940 . 15 1 1 A 77 77 GLN HA H 69 4.556 4.369 0.187 1
1 947 . 15 1 1 A 77 77 GLN C C 69 175.179 175.175 0.004 1
1 948 . 15 1 1 A 77 77 GLN CA C 69 55.633 56.849 -1.216 1
1 949 . 15 1 1 A 77 77 GLN CB C 69 31.116 29.004 2.112 1
1 951 . 15 1 1 A 77 77 GLN N N 69 117.826 119.459 -1.633 1
1 953 . 15 1 1 A 78 78 HIS H H 70 8.857 8.857 0.000 1
1 954 . 15 1 1 A 78 78 HIS HA H 70 4.923 4.104 0.819 1
1 957 . 15 1 1 A 78 78 HIS C C 70 173.113 173.726 -0.613 1
1 958 . 15 1 1 A 78 78 HIS CA C 70 54.623 56.697 -2.074 1
1 959 . 15 1 1 A 78 78 HIS CB C 70 30.231 27.963 2.268 1
1 960 . 15 1 1 A 78 78 HIS N N 70 120.752 118.501 2.251 1
1 961 . 15 1 1 A 79 79 PHE H H 71 9.120 7.679 1.441 1
1 962 . 15 1 1 A 79 79 PHE HA H 71 4.797 4.982 -0.185 1
1 967 . 15 1 1 A 79 79 PHE C C 71 174.341 173.668 0.673 1
1 968 . 15 1 1 A 79 79 PHE CA C 71 56.191 56.391 -0.200 1
1 969 . 15 1 1 A 79 79 PHE CB C 71 40.983 40.233 0.750 1
1 970 . 15 1 1 A 79 79 PHE N N 71 124.577 118.646 5.931 1
1 971 . 15 1 1 A 80 80 TYR H H 72 8.883 9.108 -0.225 1
1 972 . 15 1 1 A 80 80 TYR HA H 72 5.142 5.277 -0.135 1
1 979 . 15 1 1 A 80 80 TYR C C 72 175.115 174.102 1.013 1
1 980 . 15 1 1 A 80 80 TYR CA C 72 57.353 56.718 0.635 1
1 981 . 15 1 1 A 80 80 TYR CB C 72 39.753 41.773 -2.020 1
1 986 . 15 1 1 A 80 80 TYR N N 72 124.010 125.571 -1.561 1
1 987 . 15 1 1 A 81 81 MET H H 73 8.824 8.054 0.770 1
1 988 . 15 1 1 A 81 81 MET HA H 73 5.983 5.025 0.958 1
1 996 . 15 1 1 A 81 81 MET C C 73 175.053 174.239 0.814 1
1 997 . 15 1 1 A 81 81 MET CA C 73 54.453 53.877 0.576 1
1 998 . 15 1 1 A 81 81 MET CB C 73 38.584 36.398 2.186 1
1 1001 . 15 1 1 A 81 81 MET N N 73 120.151 125.343 -5.192 1
1 1002 . 15 1 1 A 82 82 LYS H H 74 9.103 8.756 0.347 1
1 1003 . 15 1 1 A 82 82 LYS HA H 74 4.800 4.695 0.105 1
1 1012 . 15 1 1 A 82 82 LYS C C 74 174.244 175.787 -1.543 1
1 1013 . 15 1 1 A 82 82 LYS CA C 74 55.314 54.621 0.693 1
1 1014 . 15 1 1 A 82 82 LYS CB C 74 36.251 35.865 0.386 1
1 1018 . 15 1 1 A 82 82 LYS N N 74 121.097 123.494 -2.397 1
1 1019 . 15 1 1 A 83 83 ALA H H 75 8.740 8.560 0.180 1
1 1020 . 15 1 1 A 83 83 ALA HA H 75 4.786 4.599 0.187 1
1 1024 . 15 1 1 A 83 83 ALA C C 75 177.126 178.171 -1.045 1
1 1025 . 15 1 1 A 83 83 ALA CA C 75 49.893 51.771 -1.878 1
1 1026 . 15 1 1 A 83 83 ALA CB C 75 21.311 20.081 1.230 1
1 1027 . 15 1 1 A 83 83 ALA N N 75 126.624 127.655 -1.031 1
1 1028 . 15 1 1 A 84 84 VAL H H 76 9.105 8.673 0.432 1
1 1029 . 15 1 1 A 84 84 VAL HA H 76 3.835 3.960 -0.125 1
1 1037 . 15 1 1 A 84 84 VAL C C 76 175.635 176.008 -0.373 1
1 1038 . 15 1 1 A 84 84 VAL CA C 76 64.888 65.460 -0.572 1
1 1039 . 15 1 1 A 84 84 VAL CB C 76 32.097 32.273 -0.176 1
1 1042 . 15 1 1 A 84 84 VAL N N 76 115.195 119.155 -3.960 1
1 1043 . 15 1 1 A 85 85 ASN H H 77 7.278 7.973 -0.695 1
1 1044 . 15 1 1 A 85 85 ASN HA H 77 4.476 5.021 -0.545 1
1 1049 . 15 1 1 A 85 85 ASN C C 77 174.796 175.301 -0.505 1
1 1050 . 15 1 1 A 85 85 ASN CA C 77 52.193 51.322 0.871 1
1 1051 . 15 1 1 A 85 85 ASN CB C 77 39.702 40.809 -1.107 1
1 1052 . 15 1 1 A 85 85 ASN N N 77 109.430 115.404 -5.974 1
1 1054 . 15 1 1 A 86 86 ALA H H 78 8.681 8.879 -0.198 1
1 1055 . 15 1 1 A 86 86 ALA HA H 78 4.195 3.993 0.202 1
1 1059 . 15 1 1 A 86 86 ALA C C 78 180.157 179.993 0.164 1
1 1060 . 15 1 1 A 86 86 ALA CA C 78 54.919 55.441 -0.522 1
1 1061 . 15 1 1 A 86 86 ALA CB C 78 18.721 18.263 0.458 1
1 1062 . 15 1 1 A 86 86 ALA N N 78 121.886 122.023 -0.137 1
1 1063 . 15 1 1 A 87 87 ALA H H 79 8.386 8.155 0.231 1
1 1064 . 15 1 1 A 87 87 ALA HA H 79 4.200 4.002 0.198 1
1 1068 . 15 1 1 A 87 87 ALA C C 79 181.167 180.069 1.098 1
1 1069 . 15 1 1 A 87 87 ALA CA C 79 55.195 55.258 -0.063 1
1 1070 . 15 1 1 A 87 87 ALA CB C 79 17.663 18.271 -0.608 1
1 1071 . 15 1 1 A 87 87 ALA N N 79 123.939 120.035 3.904 1
1 1072 . 15 1 1 A 88 88 GLU H H 80 8.743 7.955 0.788 1
1 1073 . 15 1 1 A 88 88 GLU HA H 80 4.260 4.056 0.204 1
1 1078 . 15 1 1 A 88 88 GLU C C 80 178.848 179.316 -0.468 1
1 1079 . 15 1 1 A 88 88 GLU CA C 80 59.191 59.449 -0.258 1
1 1080 . 15 1 1 A 88 88 GLU CB C 80 29.898 29.228 0.670 1
1 1082 . 15 1 1 A 88 88 GLU N N 80 119.694 117.947 1.747 1
1 1083 . 15 1 1 A 89 89 ARG H H 81 7.936 8.215 -0.279 1
1 1084 . 15 1 1 A 89 89 ARG HA H 81 3.780 4.052 -0.272 1
1 1087 . 15 1 1 A 89 89 ARG C C 81 177.596 178.730 -1.134 1
1 1088 . 15 1 1 A 89 89 ARG CA C 81 61.042 59.362 1.680 1
1 1089 . 15 1 1 A 89 89 ARG CB C 81 29.630 29.863 -0.233 1
1 1090 . 15 1 1 A 89 89 ARG N N 81 119.080 121.038 -1.958 1
1 1091 . 15 1 1 A 90 90 GLN H H 82 8.063 7.727 0.336 1
1 1092 . 15 1 1 A 90 90 GLN HA H 82 4.039 4.046 -0.007 1
1 1099 . 15 1 1 A 90 90 GLN C C 82 177.419 178.299 -0.880 1
1 1100 . 15 1 1 A 90 90 GLN CA C 82 59.069 59.019 0.050 1
1 1101 . 15 1 1 A 90 90 GLN CB C 82 27.786 28.406 -0.620 1
1 1103 . 15 1 1 A 90 90 GLN N N 82 118.390 118.512 -0.122 1
1 1105 . 15 1 1 A 91 91 ARG H H 83 7.700 7.644 0.056 1
1 1106 . 15 1 1 A 91 91 ARG HA H 83 3.961 3.975 -0.014 1
1 1114 . 15 1 1 A 91 91 ARG C C 83 180.016 178.992 1.024 1
1 1115 . 15 1 1 A 91 91 ARG CA C 83 59.750 59.493 0.257 1
1 1116 . 15 1 1 A 91 91 ARG CB C 83 30.401 29.599 0.802 1
1 1119 . 15 1 1 A 91 91 ARG N N 83 117.912 118.621 -0.709 1
1 1121 . 15 1 1 A 92 92 TRP H H 84 7.895 7.773 0.122 1
1 1122 . 15 1 1 A 92 92 TRP HA H 84 4.115 4.479 -0.364 1
1 1130 . 15 1 1 A 92 92 TRP C C 84 178.111 179.182 -1.071 1
1 1131 . 15 1 1 A 92 92 TRP CA C 84 61.633 59.832 1.801 1
1 1132 . 15 1 1 A 92 92 TRP CB C 84 29.032 29.494 -0.462 1
1 1137 . 15 1 1 A 92 92 TRP N N 84 119.237 121.069 -1.832 1
1 1139 . 15 1 1 A 93 93 LEU H H 85 8.988 8.502 0.486 1
1 1140 . 15 1 1 A 93 93 LEU HA H 85 3.978 4.018 -0.040 1
1 1150 . 15 1 1 A 93 93 LEU C C 85 180.925 179.649 1.276 1
1 1151 . 15 1 1 A 93 93 LEU CA C 85 58.716 57.866 0.850 1
1 1152 . 15 1 1 A 93 93 LEU CB C 85 41.506 41.155 0.351 1
1 1156 . 15 1 1 A 93 93 LEU N N 85 119.853 120.137 -0.284 1
1 1157 . 15 1 1 A 94 94 VAL H H 86 8.233 8.311 -0.078 1
1 1158 . 15 1 1 A 94 94 VAL HA H 86 3.695 3.521 0.174 1
1 1166 . 15 1 1 A 94 94 VAL C C 86 178.733 177.895 0.838 1
1 1167 . 15 1 1 A 94 94 VAL CA C 86 66.250 66.581 -0.331 1
1 1168 . 15 1 1 A 94 94 VAL CB C 86 31.886 31.526 0.360 1
1 1171 . 15 1 1 A 94 94 VAL N N 86 120.164 119.831 0.333 1
1 1172 . 15 1 1 A 95 95 ALA H H 87 7.345 7.661 -0.316 1
1 1173 . 15 1 1 A 95 95 ALA HA H 87 4.113 4.029 0.084 1
1 1177 . 15 1 1 A 95 95 ALA C C 87 180.055 180.474 -0.419 1
1 1178 . 15 1 1 A 95 95 ALA CA C 87 55.410 55.400 0.010 1
1 1179 . 15 1 1 A 95 95 ALA CB C 87 18.816 18.528 0.288 1
1 1180 . 15 1 1 A 95 95 ALA N N 87 123.818 121.585 2.233 1
1 1181 . 15 1 1 A 96 96 LEU H H 88 9.342 8.782 0.560 1
1 1182 . 15 1 1 A 96 96 LEU HA H 88 4.003 3.955 0.048 1
1 1192 . 15 1 1 A 96 96 LEU C C 88 179.349 179.451 -0.102 1
1 1193 . 15 1 1 A 96 96 LEU CA C 88 57.786 58.255 -0.469 1
1 1194 . 15 1 1 A 96 96 LEU CB C 88 41.848 41.778 0.070 1
1 1198 . 15 1 1 A 96 96 LEU N N 88 117.857 118.431 -0.574 1
1 1199 . 15 1 1 A 97 97 GLY H H 89 8.252 8.430 -0.178 1
1 1200 . 15 1 1 A 97 97 GLY HA2 H 89 3.819 3.838 -0.019 1
1 1201 . 15 1 1 A 97 97 GLY HA3 H 89 3.948 3.842 0.106 1
1 1202 . 15 1 1 A 97 97 GLY C C 89 176.463 175.873 0.590 1
1 1203 . 15 1 1 A 97 97 GLY CA C 89 46.620 47.383 -0.763 1
1 1204 . 15 1 1 A 97 97 GLY N N 89 105.618 105.936 -0.318 1
1 1205 . 15 1 1 A 98 98 SER H H 90 8.068 8.255 -0.187 1
1 1206 . 15 1 1 A 98 98 SER HA H 90 4.377 4.159 0.218 1
1 1209 . 15 1 1 A 98 98 SER C C 90 176.144 176.662 -0.518 1
1 1210 . 15 1 1 A 98 98 SER CA C 90 60.842 61.380 -0.538 1
1 1211 . 15 1 1 A 98 98 SER CB C 90 63.116 62.823 0.293 1
1 1212 . 15 1 1 A 98 98 SER N N 90 117.602 117.379 0.223 1
1 1213 . 15 1 1 A 99 99 SER H H 91 8.036 7.786 0.250 1
1 1214 . 15 1 1 A 99 99 SER HA H 91 4.324 4.187 0.137 1
1 1217 . 15 1 1 A 99 99 SER C C 91 175.818 177.100 -1.282 1
1 1218 . 15 1 1 A 99 99 SER CA C 91 60.720 61.280 -0.560 1
1 1219 . 15 1 1 A 99 99 SER CB C 91 63.831 63.229 0.602 1
1 1220 . 15 1 1 A 99 99 SER N N 91 116.877 115.683 1.194 1
1 1221 . 15 1 1 A 100 100 LYS H H 92 7.838 7.838 0.000 1
1 1222 . 15 1 1 A 100 100 LYS HA H 92 4.068 4.058 0.010 1
1 1231 . 15 1 1 A 100 100 LYS C C 92 177.235 177.409 -0.174 1
1 1232 . 15 1 1 A 100 100 LYS CA C 92 58.121 58.653 -0.532 1
1 1233 . 15 1 1 A 100 100 LYS CB C 92 32.263 32.019 0.244 1
1 1237 . 15 1 1 A 100 100 LYS N N 92 119.456 121.713 -2.257 1
1 1238 . 15 1 1 A 101 101 ALA H H 93 7.924 7.513 0.411 1
1 1239 . 15 1 1 A 101 101 ALA HA H 93 4.321 4.371 -0.050 1
1 1243 . 15 1 1 A 101 101 ALA C C 93 178.323 177.822 0.501 1
1 1244 . 15 1 1 A 101 101 ALA CA C 93 53.435 52.263 1.172 1
1 1245 . 15 1 1 A 101 101 ALA CB C 93 18.969 18.885 0.084 1
1 1246 . 15 1 1 A 101 101 ALA N N 93 122.054 119.795 2.259 1
1 1247 . 15 1 1 A 102 102 SER H H 94 8.061 8.337 -0.276 1
1 1248 . 15 1 1 A 102 102 SER HA H 94 4.451 4.045 0.406 1
1 1251 . 15 1 1 A 102 102 SER C C 94 174.773 173.974 0.799 1
1 1252 . 15 1 1 A 102 102 SER CA C 94 59.086 59.064 0.022 1
1 1253 . 15 1 1 A 102 102 SER CB C 94 63.766 61.618 2.148 1
1 1254 . 15 1 1 A 102 102 SER N N 94 114.102 118.001 -3.899 1
1 1255 . 15 1 1 A 103 103 LEU H H 95 8.053 7.954 0.099 1
1 1256 . 15 1 1 A 103 103 LEU HA H 95 4.507 4.485 0.022 1
1 1266 . 15 1 1 A 103 103 LEU C C 95 177.589 176.212 1.377 1
1 1267 . 15 1 1 A 103 103 LEU CA C 95 55.398 54.717 0.681 1
1 1268 . 15 1 1 A 103 103 LEU CB C 95 42.435 44.102 -1.667 1
1 1272 . 15 1 1 A 103 103 LEU N N 95 123.264 122.977 0.287 1
1 1273 . 15 1 1 A 104 104 THR H H 96 8.045 8.609 -0.564 1
1 1274 . 15 1 1 A 104 104 THR HA H 96 4.383 4.431 -0.048 1
1 1279 . 15 1 1 A 104 104 THR C C 96 174.128 173.870 0.258 1
1 1280 . 15 1 1 A 104 104 THR CA C 96 61.982 61.152 0.830 1
1 1281 . 15 1 1 A 104 104 THR CB C 96 69.938 70.246 -0.308 1
1 1283 . 15 1 1 A 104 104 THR N N 96 113.833 115.717 -1.884 1
1 1284 . 15 1 1 A 105 105 ASP H H 97 8.346 8.782 -0.436 1
1 1285 . 15 1 1 A 105 105 ASP HA H 97 4.740 4.600 0.140 1
1 1288 . 15 1 1 A 105 105 ASP C C 97 176.310 175.295 1.015 1
1 1289 . 15 1 1 A 105 105 ASP CA C 97 54.300 54.553 -0.253 1
1 1290 . 15 1 1 A 105 105 ASP CB C 97 41.174 40.487 0.687 1
1 1291 . 15 1 1 A 105 105 ASP N N 97 123.107 120.430 2.677 1
1 1292 . 15 1 1 A 106 106 THR H H 98 8.147 8.443 -0.296 1
1 1293 . 15 1 1 A 106 106 THR HA H 98 4.355 4.517 -0.162 1
1 1298 . 15 1 1 A 106 106 THR C C 98 174.523 174.323 0.200 1
1 1299 . 15 1 1 A 106 106 THR CA C 98 61.937 61.398 0.539 1
1 1300 . 15 1 1 A 106 106 THR CB C 98 69.656 68.236 1.420 1
1 1302 . 15 1 1 A 106 106 THR N N 98 114.857 115.217 -0.360 1
1 1303 . 15 1 1 A 107 107 ARG H H 99 8.385 8.197 0.188 1
1 1304 . 15 1 1 A 107 107 ARG HA H 99 4.442 4.364 0.078 1
1 1312 . 15 1 1 A 107 107 ARG C C 99 175.764 176.281 -0.517 1
1 1313 . 15 1 1 A 107 107 ARG CA C 99 56.311 57.067 -0.756 1
1 1314 . 15 1 1 A 107 107 ARG CB C 99 30.745 30.813 -0.068 1
1 1317 . 15 1 1 A 107 107 ARG N N 99 123.999 127.351 -3.352 1
1 1 . 16 1 1 A 2 2 PRO HA H -6 4.460 4.469 -0.009 1
1 8 . 16 1 1 A 2 2 PRO C C -6 176.875 176.330 0.545 1
1 9 . 16 1 1 A 2 2 PRO CA C -6 63.159 62.869 0.290 1
1 10 . 16 1 1 A 2 2 PRO CB C -6 32.292 31.901 0.391 1
1 13 . 16 1 1 A 3 3 LEU H H -5 8.483 8.333 0.150 1
1 14 . 16 1 1 A 3 3 LEU HA H -5 4.334 4.146 0.188 1
1 24 . 16 1 1 A 3 3 LEU C C -5 177.797 177.379 0.418 1
1 25 . 16 1 1 A 3 3 LEU CA C -5 55.474 56.037 -0.563 1
1 26 . 16 1 1 A 3 3 LEU CB C -5 42.239 42.030 0.209 1
1 30 . 16 1 1 A 3 3 LEU N N -5 122.315 123.901 -1.586 1
1 31 . 16 1 1 A 4 4 GLY H H -4 8.393 8.807 -0.414 1
1 32 . 16 1 1 A 4 4 GLY HA2 H -4 3.978 3.887 0.091 1
1 33 . 16 1 1 A 4 4 GLY HA3 H -4 3.978 3.906 0.072 1
1 34 . 16 1 1 A 4 4 GLY C C -4 173.730 174.091 -0.361 1
1 35 . 16 1 1 A 4 4 GLY CA C -4 45.158 47.333 -2.175 1
1 36 . 16 1 1 A 4 4 GLY N N -4 109.911 115.842 -5.931 1
1 37 . 16 1 1 A 5 5 SER H H -3 8.162 8.038 0.124 1
1 38 . 16 1 1 A 5 5 SER HA H -3 4.764 4.677 0.087 1
1 41 . 16 1 1 A 5 5 SER CA C -3 56.323 59.380 -3.057 1
1 42 . 16 1 1 A 5 5 SER CB C -3 63.515 65.922 -2.407 1
1 43 . 16 1 1 A 5 5 SER N N -3 116.873 119.735 -2.862 1
1 44 . 16 1 1 A 6 6 PRO HA H -2 4.399 4.506 -0.107 1
1 47 . 16 1 1 A 6 6 PRO C C -2 176.587 176.262 0.325 1
1 48 . 16 1 1 A 6 6 PRO CA C -2 63.552 63.128 0.424 1
1 49 . 16 1 1 A 6 6 PRO CB C -2 31.997 31.614 0.383 1
1 50 . 16 1 1 A 7 7 GLU H H -1 8.364 8.665 -0.301 1
1 51 . 16 1 1 A 7 7 GLU HA H -1 4.285 4.505 -0.220 1
1 56 . 16 1 1 A 7 7 GLU C C -1 174.954 175.799 -0.845 1
1 57 . 16 1 1 A 7 7 GLU CA C -1 56.486 55.593 0.893 1
1 58 . 16 1 1 A 7 7 GLU CB C -1 29.924 28.413 1.511 1
1 60 . 16 1 1 A 7 7 GLU N N -1 119.665 123.525 -3.860 1
1 61 . 16 1 1 A 8 8 PHE H H 0 7.872 8.375 -0.503 1
1 62 . 16 1 1 A 8 8 PHE HA H 0 5.204 5.922 -0.718 1
1 67 . 16 1 1 A 8 8 PHE C C 0 174.670 174.080 0.590 1
1 68 . 16 1 1 A 8 8 PHE CA C 0 56.861 55.402 1.459 1
1 69 . 16 1 1 A 8 8 PHE CB C 0 41.874 40.940 0.934 1
1 72 . 16 1 1 A 8 8 PHE N N 0 122.497 120.209 2.288 1
1 73 . 16 1 1 A 9 9 MET H H 1 7.833 9.116 -1.283 1
1 74 . 16 1 1 A 9 9 MET HA H 1 4.095 4.871 -0.776 1
1 82 . 16 1 1 A 9 9 MET C C 1 171.191 173.973 -2.782 1
1 83 . 16 1 1 A 9 9 MET CA C 1 54.613 54.196 0.417 1
1 84 . 16 1 1 A 9 9 MET CB C 1 34.867 35.472 -0.605 1
1 87 . 16 1 1 A 9 9 MET N N 1 127.163 122.367 4.796 1
1 88 . 16 1 1 A 10 10 GLU H H 2 7.698 8.741 -1.043 1
1 89 . 16 1 1 A 10 10 GLU HA H 2 5.603 5.560 0.043 1
1 94 . 16 1 1 A 10 10 GLU C C 2 174.743 174.532 0.211 1
1 95 . 16 1 1 A 10 10 GLU CA C 2 53.345 54.606 -1.261 1
1 96 . 16 1 1 A 10 10 GLU CB C 2 32.408 33.473 -1.065 1
1 98 . 16 1 1 A 10 10 GLU N N 2 118.654 121.913 -3.259 1
1 99 . 16 1 1 A 11 11 GLY H H 3 7.994 7.693 0.301 1
1 100 . 16 1 1 A 11 11 GLY HA2 H 3 3.115 3.522 -0.407 1
1 101 . 16 1 1 A 11 11 GLY HA3 H 3 4.377 4.214 0.163 1
1 102 . 16 1 1 A 11 11 GLY C C 3 170.878 171.401 -0.523 1
1 103 . 16 1 1 A 11 11 GLY CA C 3 45.086 45.413 -0.327 1
1 104 . 16 1 1 A 11 11 GLY N N 3 108.296 106.267 2.029 1
1 105 . 16 1 1 A 12 12 VAL H H 4 8.463 8.387 0.076 1
1 106 . 16 1 1 A 12 12 VAL HA H 4 4.969 5.392 -0.423 1
1 114 . 16 1 1 A 12 12 VAL C C 4 177.805 175.227 2.578 1
1 115 . 16 1 1 A 12 12 VAL CA C 4 62.373 61.058 1.315 1
1 116 . 16 1 1 A 12 12 VAL CB C 4 33.152 34.620 -1.468 1
1 119 . 16 1 1 A 12 12 VAL N N 4 119.624 119.928 -0.304 1
1 120 . 16 1 1 A 13 13 LEU H H 5 8.647 9.248 -0.601 1
1 121 . 16 1 1 A 13 13 LEU HA H 5 4.382 5.388 -1.006 1
1 131 . 16 1 1 A 13 13 LEU C C 5 175.407 176.218 -0.811 1
1 132 . 16 1 1 A 13 13 LEU CA C 5 54.139 53.503 0.636 1
1 133 . 16 1 1 A 13 13 LEU CB C 5 46.374 44.834 1.540 1
1 137 . 16 1 1 A 13 13 LEU N N 5 125.806 127.048 -1.242 1
1 138 . 16 1 1 A 14 14 TYR H H 6 9.007 9.473 -0.466 1
1 139 . 16 1 1 A 14 14 TYR HA H 6 5.026 5.295 -0.269 1
1 144 . 16 1 1 A 14 14 TYR C C 6 175.047 175.306 -0.259 1
1 145 . 16 1 1 A 14 14 TYR CA C 6 57.484 58.609 -1.125 1
1 146 . 16 1 1 A 14 14 TYR CB C 6 39.400 37.881 1.519 1
1 147 . 16 1 1 A 14 14 TYR N N 6 118.975 122.279 -3.304 1
1 148 . 16 1 1 A 15 15 LYS H H 7 9.549 9.056 0.493 1
1 149 . 16 1 1 A 15 15 LYS HA H 7 5.467 5.164 0.303 1
1 158 . 16 1 1 A 15 15 LYS C C 7 175.772 176.449 -0.677 1
1 159 . 16 1 1 A 15 15 LYS CA C 7 54.136 55.115 -0.979 1
1 160 . 16 1 1 A 15 15 LYS CB C 7 37.043 34.166 2.877 1
1 164 . 16 1 1 A 15 15 LYS N N 7 123.867 126.764 -2.897 1
1 165 . 16 1 1 A 16 16 TRP H H 8 8.355 9.158 -0.803 1
1 166 . 16 1 1 A 16 16 TRP HA H 8 3.893 4.930 -1.037 1
1 175 . 16 1 1 A 16 16 TRP C C 8 176.038 176.332 -0.294 1
1 176 . 16 1 1 A 16 16 TRP CA C 8 57.880 58.272 -0.392 1
1 177 . 16 1 1 A 16 16 TRP CB C 8 29.347 30.450 -1.103 1
1 183 . 16 1 1 A 16 16 TRP N N 8 129.111 129.768 -0.657 1
1 185 . 16 1 1 A 17 17 THR H H 9 6.754 8.311 -1.557 1
1 186 . 16 1 1 A 17 17 THR HA H 9 4.127 4.229 -0.102 1
1 191 . 16 1 1 A 17 17 THR C C 9 172.153 173.757 -1.604 1
1 192 . 16 1 1 A 17 17 THR CA C 9 61.413 61.625 -0.212 1
1 193 . 16 1 1 A 17 17 THR CB C 9 69.317 69.140 0.177 1
1 195 . 16 1 1 A 17 17 THR N N 9 121.030 117.858 3.172 1
1 196 . 16 1 1 A 18 18 ASN H H 10 7.418 6.996 0.422 1
1 197 . 16 1 1 A 18 18 ASN HA H 10 4.051 5.053 -1.002 1
1 202 . 16 1 1 A 18 18 ASN C C 10 174.308 175.238 -0.930 1
1 203 . 16 1 1 A 18 18 ASN CA C 10 52.089 51.056 1.033 1
1 204 . 16 1 1 A 18 18 ASN CB C 10 39.339 41.506 -2.167 1
1 205 . 16 1 1 A 18 18 ASN N N 10 115.655 117.008 -1.353 1
1 207 . 16 1 1 A 19 19 TYR H H 11 8.348 9.036 -0.688 1
1 208 . 16 1 1 A 19 19 TYR HA H 11 4.284 4.521 -0.237 1
1 215 . 16 1 1 A 19 19 TYR C C 11 175.974 177.696 -1.722 1
1 216 . 16 1 1 A 19 19 TYR CA C 11 60.774 60.432 0.342 1
1 217 . 16 1 1 A 19 19 TYR CB C 11 37.815 37.776 0.039 1
1 222 . 16 1 1 A 19 19 TYR N N 11 115.508 120.895 -5.387 1
1 223 . 16 1 1 A 20 20 LEU H H 12 7.827 7.593 0.234 1
1 224 . 16 1 1 A 20 20 LEU HA H 12 4.091 3.913 0.178 1
1 234 . 16 1 1 A 20 20 LEU C C 12 178.711 178.963 -0.252 1
1 235 . 16 1 1 A 20 20 LEU CA C 12 56.966 57.584 -0.618 1
1 236 . 16 1 1 A 20 20 LEU CB C 12 41.922 41.572 0.350 1
1 240 . 16 1 1 A 20 20 LEU N N 12 120.867 122.330 -1.463 1
1 241 . 16 1 1 A 21 21 THR H H 13 7.651 7.617 0.034 1
1 242 . 16 1 1 A 21 21 THR HA H 13 4.162 4.256 -0.094 1
1 247 . 16 1 1 A 21 21 THR C C 13 175.842 174.332 1.510 1
1 248 . 16 1 1 A 21 21 THR CA C 13 62.159 62.454 -0.295 1
1 249 . 16 1 1 A 21 21 THR CB C 13 69.191 70.334 -1.143 1
1 251 . 16 1 1 A 21 21 THR N N 13 108.304 107.508 0.796 1
1 252 . 16 1 1 A 22 22 GLY H H 14 7.679 7.622 0.057 1
1 253 . 16 1 1 A 22 22 GLY HA2 H 14 2.802 3.777 -0.975 1
1 254 . 16 1 1 A 22 22 GLY HA3 H 14 3.715 4.006 -0.291 1
1 255 . 16 1 1 A 22 22 GLY C C 14 175.108 173.432 1.676 1
1 256 . 16 1 1 A 22 22 GLY CA C 14 46.131 46.422 -0.291 1
1 257 . 16 1 1 A 22 22 GLY N N 14 109.901 109.874 0.027 1
1 258 . 16 1 1 A 23 23 TRP H H 15 8.817 8.222 0.595 1
1 259 . 16 1 1 A 23 23 TRP HA H 15 4.724 5.588 -0.864 1
1 268 . 16 1 1 A 23 23 TRP C C 15 176.569 175.237 1.332 1
1 269 . 16 1 1 A 23 23 TRP CA C 15 56.897 54.853 2.044 1
1 270 . 16 1 1 A 23 23 TRP CB C 15 29.825 33.086 -3.261 1
1 275 . 16 1 1 A 23 23 TRP N N 15 126.927 121.286 5.641 1
1 277 . 16 1 1 A 24 24 GLN H H 16 8.931 9.194 -0.263 1
1 278 . 16 1 1 A 24 24 GLN HA H 16 5.186 4.242 0.944 1
1 285 . 16 1 1 A 24 24 GLN CA C 16 52.369 51.684 0.685 1
1 286 . 16 1 1 A 24 24 GLN CB C 16 31.536 30.849 0.687 1
1 288 . 16 1 1 A 24 24 GLN N N 16 122.710 120.061 2.649 1
1 290 . 16 1 1 A 25 25 PRO HA H 17 4.206 5.311 -1.105 1
1 297 . 16 1 1 A 25 25 PRO C C 17 176.918 176.116 0.802 1
1 298 . 16 1 1 A 25 25 PRO CA C 17 62.894 62.247 0.647 1
1 299 . 16 1 1 A 25 25 PRO CB C 17 31.444 30.755 0.689 1
1 302 . 16 1 1 A 26 26 ARG H H 18 9.041 8.501 0.540 1
1 303 . 16 1 1 A 26 26 ARG HA H 18 4.857 4.836 0.021 1
1 310 . 16 1 1 A 26 26 ARG C C 18 173.102 175.218 -2.116 1
1 311 . 16 1 1 A 26 26 ARG CA C 18 53.273 55.733 -2.460 1
1 312 . 16 1 1 A 26 26 ARG CB C 18 34.254 31.803 2.451 1
1 315 . 16 1 1 A 26 26 ARG N N 18 123.602 123.602 0.000 1
1 316 . 16 1 1 A 27 27 TRP H H 19 8.375 8.674 -0.299 1
1 317 . 16 1 1 A 27 27 TRP HA H 19 5.077 5.442 -0.365 1
1 326 . 16 1 1 A 27 27 TRP C C 19 174.728 174.824 -0.096 1
1 327 . 16 1 1 A 27 27 TRP CA C 19 56.157 56.403 -0.246 1
1 328 . 16 1 1 A 27 27 TRP CB C 19 31.116 30.866 0.250 1
1 334 . 16 1 1 A 27 27 TRP N N 19 121.669 125.039 -3.370 1
1 336 . 16 1 1 A 28 28 PHE H H 20 9.016 9.552 -0.536 1
1 337 . 16 1 1 A 28 28 PHE HA H 20 5.385 5.478 -0.093 1
1 345 . 16 1 1 A 28 28 PHE C C 20 174.685 174.705 -0.020 1
1 346 . 16 1 1 A 28 28 PHE CA C 20 56.699 56.605 0.094 1
1 347 . 16 1 1 A 28 28 PHE CB C 20 43.155 41.952 1.203 1
1 353 . 16 1 1 A 28 28 PHE N N 20 128.520 126.838 1.682 1
1 354 . 16 1 1 A 29 29 VAL H H 21 9.058 9.342 -0.284 1
1 355 . 16 1 1 A 29 29 VAL HA H 21 4.681 5.381 -0.700 1
1 363 . 16 1 1 A 29 29 VAL C C 21 174.804 174.085 0.719 1
1 364 . 16 1 1 A 29 29 VAL CA C 21 61.719 59.868 1.851 1
1 365 . 16 1 1 A 29 29 VAL CB C 21 36.416 35.805 0.611 1
1 368 . 16 1 1 A 29 29 VAL N N 21 117.562 116.588 0.974 1
1 369 . 16 1 1 A 30 30 LEU H H 22 9.543 9.560 -0.017 1
1 370 . 16 1 1 A 30 30 LEU HA H 22 5.311 5.308 0.003 1
1 380 . 16 1 1 A 30 30 LEU C C 22 173.506 175.029 -1.523 1
1 381 . 16 1 1 A 30 30 LEU CA C 22 53.213 53.993 -0.780 1
1 382 . 16 1 1 A 30 30 LEU CB C 22 44.939 44.185 0.754 1
1 386 . 16 1 1 A 30 30 LEU N N 22 131.939 127.609 4.330 1
1 387 . 16 1 1 A 31 31 ASP H H 23 8.513 9.523 -1.010 1
1 388 . 16 1 1 A 31 31 ASP HA H 23 5.151 5.093 0.058 1
1 391 . 16 1 1 A 31 31 ASP C C 23 176.940 175.564 1.376 1
1 392 . 16 1 1 A 31 31 ASP CA C 23 53.671 53.742 -0.071 1
1 393 . 16 1 1 A 31 31 ASP CB C 23 43.770 43.218 0.552 1
1 394 . 16 1 1 A 31 31 ASP N N 23 121.978 124.830 -2.852 1
1 395 . 16 1 1 A 32 32 ASN H H 24 9.280 9.523 -0.243 1
1 396 . 16 1 1 A 32 32 ASN HA H 24 4.421 4.400 0.021 1
1 401 . 16 1 1 A 32 32 ASN C C 24 175.044 174.507 0.537 1
1 402 . 16 1 1 A 32 32 ASN CA C 24 54.362 54.121 0.241 1
1 403 . 16 1 1 A 32 32 ASN CB C 24 37.804 37.665 0.139 1
1 404 . 16 1 1 A 32 32 ASN N N 24 125.653 125.345 0.308 1
1 406 . 16 1 1 A 33 33 GLY H H 25 8.997 8.627 0.370 1
1 407 . 16 1 1 A 33 33 GLY HA2 H 25 3.581 3.870 -0.289 1
1 408 . 16 1 1 A 33 33 GLY HA3 H 25 4.154 3.873 0.281 1
1 409 . 16 1 1 A 33 33 GLY C C 25 173.215 173.801 -0.586 1
1 410 . 16 1 1 A 33 33 GLY CA C 25 45.930 45.428 0.502 1
1 411 . 16 1 1 A 33 33 GLY N N 25 102.623 104.706 -2.083 1
1 412 . 16 1 1 A 34 34 ILE H H 26 7.955 7.839 0.116 1
1 413 . 16 1 1 A 34 34 ILE HA H 26 4.771 4.527 0.244 1
1 423 . 16 1 1 A 34 34 ILE C C 26 174.753 173.675 1.078 1
1 424 . 16 1 1 A 34 34 ILE CA C 26 59.201 60.520 -1.319 1
1 425 . 16 1 1 A 34 34 ILE CB C 26 39.393 40.618 -1.225 1
1 429 . 16 1 1 A 34 34 ILE N N 26 122.350 122.707 -0.357 1
1 430 . 16 1 1 A 35 35 LEU H H 27 9.274 9.597 -0.323 1
1 431 . 16 1 1 A 35 35 LEU HA H 27 5.441 5.503 -0.062 1
1 441 . 16 1 1 A 35 35 LEU C C 27 175.131 175.108 0.023 1
1 442 . 16 1 1 A 35 35 LEU CA C 27 53.160 53.424 -0.264 1
1 443 . 16 1 1 A 35 35 LEU CB C 27 44.532 44.525 0.007 1
1 447 . 16 1 1 A 35 35 LEU N N 27 132.013 131.126 0.887 1
1 448 . 16 1 1 A 36 36 SER H H 28 9.668 9.236 0.432 1
1 449 . 16 1 1 A 36 36 SER HA H 28 5.379 5.260 0.119 1
1 452 . 16 1 1 A 36 36 SER C C 28 171.968 173.136 -1.168 1
1 453 . 16 1 1 A 36 36 SER CA C 28 57.345 57.368 -0.023 1
1 454 . 16 1 1 A 36 36 SER CB C 28 66.044 65.388 0.656 1
1 455 . 16 1 1 A 36 36 SER N N 28 123.682 124.848 -1.166 1
1 456 . 16 1 1 A 37 37 TYR H H 29 7.452 8.269 -0.817 1
1 457 . 16 1 1 A 37 37 TYR HA H 29 5.658 5.541 0.117 1
1 464 . 16 1 1 A 37 37 TYR C C 29 172.731 173.934 -1.203 1
1 465 . 16 1 1 A 37 37 TYR CA C 29 54.632 54.990 -0.358 1
1 466 . 16 1 1 A 37 37 TYR CB C 29 39.599 41.340 -1.741 1
1 471 . 16 1 1 A 37 37 TYR N N 29 115.554 120.228 -4.674 1
1 472 . 16 1 1 A 38 38 TYR H H 30 9.116 9.601 -0.485 1
1 473 . 16 1 1 A 38 38 TYR HA H 30 4.626 4.952 -0.326 1
1 480 . 16 1 1 A 38 38 TYR C C 30 175.771 175.784 -0.013 1
1 481 . 16 1 1 A 38 38 TYR CA C 30 56.194 56.815 -0.621 1
1 482 . 16 1 1 A 38 38 TYR CB C 30 43.253 43.133 0.120 1
1 487 . 16 1 1 A 38 38 TYR N N 30 117.937 119.532 -1.595 1
1 488 . 16 1 1 A 39 39 ASP H H 31 9.474 9.131 0.343 1
1 489 . 16 1 1 A 39 39 ASP HA H 31 4.624 4.525 0.099 1
1 492 . 16 1 1 A 39 39 ASP C C 31 176.264 176.087 0.177 1
1 493 . 16 1 1 A 39 39 ASP CA C 31 58.144 56.963 1.181 1
1 494 . 16 1 1 A 39 39 ASP CB C 31 40.399 42.644 -2.245 1
1 495 . 16 1 1 A 39 39 ASP N N 31 121.988 121.485 0.503 1
1 496 . 16 1 1 A 40 40 SER H H 32 7.511 7.777 -0.266 1
1 497 . 16 1 1 A 40 40 SER HA H 32 4.567 4.689 -0.122 1
1 500 . 16 1 1 A 40 40 SER C C 32 173.752 173.783 -0.031 1
1 501 . 16 1 1 A 40 40 SER CA C 32 57.211 57.397 -0.186 1
1 502 . 16 1 1 A 40 40 SER CB C 32 65.547 66.417 -0.870 1
1 503 . 16 1 1 A 40 40 SER N N 32 107.441 111.522 -4.081 1
1 504 . 16 1 1 A 41 41 GLN H H 33 8.828 8.015 0.813 1
1 505 . 16 1 1 A 41 41 GLN HA H 33 2.511 3.162 -0.651 1
1 512 . 16 1 1 A 41 41 GLN C C 33 177.001 176.409 0.592 1
1 513 . 16 1 1 A 41 41 GLN CA C 33 58.261 58.466 -0.205 1
1 514 . 16 1 1 A 41 41 GLN CB C 33 27.168 27.656 -0.488 1
1 516 . 16 1 1 A 41 41 GLN N N 33 123.170 122.201 0.969 1
1 518 . 16 1 1 A 42 42 ASP H H 34 7.774 8.227 -0.453 1
1 519 . 16 1 1 A 42 42 ASP HA H 34 4.289 4.243 0.046 1
1 522 . 16 1 1 A 42 42 ASP C C 34 176.567 177.604 -1.037 1
1 523 . 16 1 1 A 42 42 ASP CA C 34 55.710 57.676 -1.966 1
1 524 . 16 1 1 A 42 42 ASP CB C 34 40.459 42.003 -1.544 1
1 525 . 16 1 1 A 42 42 ASP N N 34 116.558 119.710 -3.152 1
1 526 . 16 1 1 A 43 43 ASP H H 35 7.388 7.813 -0.425 1
1 527 . 16 1 1 A 43 43 ASP HA H 35 4.755 4.360 0.395 1
1 530 . 16 1 1 A 43 43 ASP C C 35 177.129 178.501 -1.372 1
1 531 . 16 1 1 A 43 43 ASP CA C 35 54.563 56.122 -1.559 1
1 532 . 16 1 1 A 43 43 ASP CB C 35 42.434 40.820 1.614 1
1 533 . 16 1 1 A 43 43 ASP N N 35 117.173 119.125 -1.952 1
1 534 . 16 1 1 A 44 44 VAL H H 36 7.063 7.333 -0.270 1
1 535 . 16 1 1 A 44 44 VAL HA H 36 3.372 1.702 1.670 1
1 543 . 16 1 1 A 44 44 VAL C C 36 178.169 177.725 0.444 1
1 544 . 16 1 1 A 44 44 VAL CA C 36 65.325 65.775 -0.450 1
1 545 . 16 1 1 A 44 44 VAL CB C 36 31.179 30.786 0.393 1
1 548 . 16 1 1 A 44 44 VAL N N 36 121.695 118.603 3.092 1
1 549 . 16 1 1 A 45 45 CYS H H 37 8.133 8.001 0.132 1
1 550 . 16 1 1 A 45 45 CYS HA H 37 4.425 4.167 0.258 1
1 553 . 16 1 1 A 45 45 CYS C C 37 175.083 176.965 -1.882 1
1 554 . 16 1 1 A 45 45 CYS CA C 37 59.202 62.036 -2.834 1
1 555 . 16 1 1 A 45 45 CYS CB C 37 27.101 27.195 -0.094 1
1 556 . 16 1 1 A 45 45 CYS N N 37 115.191 119.395 -4.204 1
1 557 . 16 1 1 A 46 46 LYS H H 38 7.844 7.445 0.399 1
1 558 . 16 1 1 A 46 46 LYS HA H 38 4.428 4.147 0.281 1
1 567 . 16 1 1 A 46 46 LYS C C 38 177.049 177.815 -0.766 1
1 568 . 16 1 1 A 46 46 LYS CA C 38 56.787 56.856 -0.069 1
1 569 . 16 1 1 A 46 46 LYS CB C 38 33.119 32.735 0.384 1
1 573 . 16 1 1 A 46 46 LYS N N 38 121.496 117.592 3.904 1
1 574 . 16 1 1 A 47 47 GLY H H 39 7.759 7.755 0.004 1
1 575 . 16 1 1 A 47 47 GLY HA2 H 39 4.022 4.066 -0.044 1
1 576 . 16 1 1 A 47 47 GLY HA3 H 39 4.542 4.208 0.334 1
1 577 . 16 1 1 A 47 47 GLY C C 39 173.037 174.111 -1.074 1
1 578 . 16 1 1 A 47 47 GLY CA C 39 44.261 45.239 -0.978 1
1 579 . 16 1 1 A 47 47 GLY N N 39 107.270 107.756 -0.486 1
1 580 . 16 1 1 A 48 48 SER H H 40 8.478 8.339 0.139 1
1 581 . 16 1 1 A 48 48 SER HA H 40 3.783 4.468 -0.685 1
1 584 . 16 1 1 A 48 48 SER C C 40 175.221 174.918 0.303 1
1 585 . 16 1 1 A 48 48 SER CA C 40 57.947 58.360 -0.413 1
1 586 . 16 1 1 A 48 48 SER CB C 40 63.811 63.176 0.635 1
1 587 . 16 1 1 A 48 48 SER N N 40 116.121 118.259 -2.138 1
1 588 . 16 1 1 A 49 49 LYS H H 41 8.394 9.032 -0.638 1
1 589 . 16 1 1 A 49 49 LYS HA H 41 4.188 4.276 -0.088 1
1 598 . 16 1 1 A 49 49 LYS C C 41 176.470 176.853 -0.383 1
1 599 . 16 1 1 A 49 49 LYS CA C 41 55.331 57.282 -1.951 1
1 600 . 16 1 1 A 49 49 LYS CB C 41 32.293 32.945 -0.652 1
1 604 . 16 1 1 A 49 49 LYS N N 41 120.990 124.425 -3.435 1
1 605 . 16 1 1 A 50 50 GLY H H 42 6.747 7.747 -1.000 1
1 606 . 16 1 1 A 50 50 GLY HA2 H 42 3.531 4.157 -0.626 1
1 607 . 16 1 1 A 50 50 GLY HA3 H 42 3.884 4.163 -0.279 1
1 608 . 16 1 1 A 50 50 GLY C C 42 170.967 172.481 -1.514 1
1 609 . 16 1 1 A 50 50 GLY CA C 42 45.060 45.036 0.024 1
1 610 . 16 1 1 A 50 50 GLY N N 42 106.048 107.784 -1.736 1
1 611 . 16 1 1 A 51 51 SER H H 43 8.158 8.987 -0.829 1
1 612 . 16 1 1 A 51 51 SER HA H 43 5.343 5.137 0.206 1
1 615 . 16 1 1 A 51 51 SER C C 43 172.787 172.906 -0.119 1
1 616 . 16 1 1 A 51 51 SER CA C 43 57.639 57.576 0.063 1
1 617 . 16 1 1 A 51 51 SER CB C 43 65.897 66.268 -0.371 1
1 618 . 16 1 1 A 51 51 SER N N 43 113.080 122.709 -9.629 1
1 619 . 16 1 1 A 52 52 ILE H H 44 9.306 9.108 0.198 1
1 620 . 16 1 1 A 52 52 ILE HA H 44 4.203 4.715 -0.512 1
1 630 . 16 1 1 A 52 52 ILE C C 44 174.340 174.646 -0.306 1
1 631 . 16 1 1 A 52 52 ILE CA C 44 60.326 60.314 0.012 1
1 632 . 16 1 1 A 52 52 ILE CB C 44 42.302 39.771 2.531 1
1 636 . 16 1 1 A 52 52 ILE N N 44 123.385 121.991 1.394 1
1 637 . 16 1 1 A 53 53 LYS H H 45 8.495 8.700 -0.205 1
1 638 . 16 1 1 A 53 53 LYS HA H 45 4.444 4.605 -0.161 1
1 647 . 16 1 1 A 53 53 LYS C C 45 176.283 176.319 -0.036 1
1 648 . 16 1 1 A 53 53 LYS CA C 45 56.255 56.304 -0.049 1
1 649 . 16 1 1 A 53 53 LYS CB C 45 32.258 32.491 -0.233 1
1 653 . 16 1 1 A 53 53 LYS N N 45 127.498 129.087 -1.589 1
1 654 . 16 1 1 A 54 54 MET H H 46 8.190 8.764 -0.574 1
1 655 . 16 1 1 A 54 54 MET HA H 46 4.585 4.199 0.386 1
1 663 . 16 1 1 A 54 54 MET C C 46 178.779 177.976 0.803 1
1 664 . 16 1 1 A 54 54 MET CA C 46 55.549 58.625 -3.076 1
1 665 . 16 1 1 A 54 54 MET CB C 46 29.465 31.803 -2.338 1
1 668 . 16 1 1 A 54 54 MET N N 46 123.817 125.416 -1.599 1
1 669 . 16 1 1 A 55 55 ALA H H 47 8.860 7.718 1.142 1
1 670 . 16 1 1 A 55 55 ALA HA H 47 4.142 4.162 -0.020 1
1 674 . 16 1 1 A 55 55 ALA C C 47 178.752 177.868 0.884 1
1 675 . 16 1 1 A 55 55 ALA CA C 47 55.004 54.289 0.715 1
1 676 . 16 1 1 A 55 55 ALA CB C 47 19.312 18.432 0.880 1
1 677 . 16 1 1 A 55 55 ALA N N 47 119.194 121.015 -1.821 1
1 678 . 16 1 1 A 56 56 VAL H H 48 7.127 7.936 -0.809 1
1 679 . 16 1 1 A 56 56 VAL HA H 48 4.592 4.380 0.212 1
1 687 . 16 1 1 A 56 56 VAL C C 48 174.965 175.622 -0.657 1
1 688 . 16 1 1 A 56 56 VAL CA C 48 60.038 61.523 -1.485 1
1 689 . 16 1 1 A 56 56 VAL CB C 48 31.878 33.577 -1.699 1
1 692 . 16 1 1 A 56 56 VAL N N 48 105.989 116.870 -10.881 1
1 693 . 16 1 1 A 57 57 CYS H H 49 7.414 7.563 -0.149 1
1 694 . 16 1 1 A 57 57 CYS HA H 49 4.897 5.081 -0.184 1
1 697 . 16 1 1 A 57 57 CYS C C 49 173.836 172.999 0.837 1
1 698 . 16 1 1 A 57 57 CYS CA C 49 58.123 57.260 0.863 1
1 699 . 16 1 1 A 57 57 CYS CB C 49 30.078 30.820 -0.742 1
1 700 . 16 1 1 A 57 57 CYS N N 49 119.973 121.125 -1.152 1
1 701 . 16 1 1 A 58 58 GLU H H 50 8.852 8.916 -0.064 1
1 702 . 16 1 1 A 58 58 GLU HA H 50 4.674 4.750 -0.076 1
1 707 . 16 1 1 A 58 58 GLU C C 50 175.085 175.114 -0.029 1
1 708 . 16 1 1 A 58 58 GLU CA C 50 54.809 56.054 -1.245 1
1 709 . 16 1 1 A 58 58 GLU CB C 50 31.856 30.867 0.989 1
1 711 . 16 1 1 A 58 58 GLU N N 50 124.719 125.604 -0.885 1
1 712 . 16 1 1 A 59 59 ILE H H 51 8.731 8.815 -0.084 1
1 713 . 16 1 1 A 59 59 ILE HA H 51 4.625 4.910 -0.285 1
1 723 . 16 1 1 A 59 59 ILE C C 51 175.513 174.413 1.100 1
1 724 . 16 1 1 A 59 59 ILE CA C 51 60.675 60.225 0.450 1
1 725 . 16 1 1 A 59 59 ILE CB C 51 39.717 39.919 -0.202 1
1 729 . 16 1 1 A 59 59 ILE N N 51 124.286 125.498 -1.212 1
1 730 . 16 1 1 A 60 60 LYS H H 52 9.212 9.262 -0.050 1
1 731 . 16 1 1 A 60 60 LYS HA H 52 4.829 4.671 0.158 1
1 740 . 16 1 1 A 60 60 LYS C C 52 175.594 175.259 0.335 1
1 741 . 16 1 1 A 60 60 LYS CA C 52 54.490 56.026 -1.536 1
1 742 . 16 1 1 A 60 60 LYS CB C 52 34.908 32.806 2.102 1
1 746 . 16 1 1 A 60 60 LYS N N 52 128.004 129.134 -1.130 1
1 747 . 16 1 1 A 61 61 VAL H H 53 8.776 8.849 -0.073 1
1 748 . 16 1 1 A 61 61 VAL HA H 53 4.087 4.585 -0.498 1
1 756 . 16 1 1 A 61 61 VAL C C 53 175.262 174.958 0.304 1
1 757 . 16 1 1 A 61 61 VAL CA C 53 62.067 61.669 0.398 1
1 758 . 16 1 1 A 61 61 VAL CB C 53 33.296 34.146 -0.850 1
1 761 . 16 1 1 A 61 61 VAL N N 53 124.000 124.415 -0.415 1
1 762 . 16 1 1 A 62 62 HIS H H 54 7.677 8.992 -1.315 1
1 763 . 16 1 1 A 62 62 HIS HA H 54 4.456 4.709 -0.253 1
1 766 . 16 1 1 A 62 62 HIS C C 54 176.465 174.571 1.894 1
1 767 . 16 1 1 A 62 62 HIS CA C 54 57.986 54.989 2.997 1
1 768 . 16 1 1 A 62 62 HIS CB C 54 32.369 30.550 1.819 1
1 769 . 16 1 1 A 62 62 HIS N N 54 127.177 127.623 -0.446 1
1 770 . 16 1 1 A 63 63 SER H H 55 8.552 8.055 0.497 1
1 771 . 16 1 1 A 63 63 SER HA H 55 4.251 3.980 0.271 1
1 774 . 16 1 1 A 63 63 SER C C 55 174.509 173.544 0.965 1
1 775 . 16 1 1 A 63 63 SER CA C 55 60.312 58.756 1.556 1
1 776 . 16 1 1 A 63 63 SER CB C 55 63.609 61.220 2.389 1
1 777 . 16 1 1 A 63 63 SER N N 55 120.508 111.408 9.100 1
1 778 . 16 1 1 A 64 64 ALA H H 56 8.807 7.750 1.057 1
1 779 . 16 1 1 A 64 64 ALA HA H 56 4.553 4.479 0.074 1
1 783 . 16 1 1 A 64 64 ALA C C 56 176.763 176.944 -0.181 1
1 784 . 16 1 1 A 64 64 ALA CA C 56 53.183 51.488 1.695 1
1 785 . 16 1 1 A 64 64 ALA CB C 56 20.619 20.424 0.195 1
1 786 . 16 1 1 A 64 64 ALA N N 56 124.728 120.909 3.819 1
1 787 . 16 1 1 A 65 65 ASP H H 57 8.762 8.588 0.174 1
1 788 . 16 1 1 A 65 65 ASP HA H 57 4.689 4.652 0.037 1
1 791 . 16 1 1 A 65 65 ASP C C 57 176.322 176.353 -0.031 1
1 792 . 16 1 1 A 65 65 ASP CA C 57 52.911 53.757 -0.846 1
1 793 . 16 1 1 A 65 65 ASP CB C 57 41.216 41.794 -0.578 1
1 794 . 16 1 1 A 65 65 ASP N N 57 120.574 118.210 2.364 1
1 795 . 16 1 1 A 66 66 ASN H H 58 8.457 8.563 -0.106 1
1 796 . 16 1 1 A 66 66 ASN HA H 58 4.580 4.402 0.178 1
1 801 . 16 1 1 A 66 66 ASN C C 58 174.296 176.251 -1.955 1
1 802 . 16 1 1 A 66 66 ASN CA C 58 54.146 54.042 0.104 1
1 803 . 16 1 1 A 66 66 ASN CB C 58 37.538 38.249 -0.711 1
1 804 . 16 1 1 A 66 66 ASN N N 58 122.233 118.500 3.733 1
1 806 . 16 1 1 A 67 67 THR H H 59 8.411 8.747 -0.336 1
1 807 . 16 1 1 A 67 67 THR HA H 59 4.284 3.946 0.338 1
1 812 . 16 1 1 A 67 67 THR C C 59 175.932 173.398 2.534 1
1 813 . 16 1 1 A 67 67 THR CA C 59 62.159 62.903 -0.744 1
1 814 . 16 1 1 A 67 67 THR CB C 59 70.025 66.385 3.640 1
1 816 . 16 1 1 A 67 67 THR N N 59 104.777 117.975 -13.198 1
1 817 . 16 1 1 A 68 68 ARG H H 60 7.589 7.434 0.155 1
1 818 . 16 1 1 A 68 68 ARG HA H 60 5.044 4.616 0.428 1
1 825 . 16 1 1 A 68 68 ARG C C 60 176.482 175.035 1.447 1
1 826 . 16 1 1 A 68 68 ARG CA C 60 56.516 54.732 1.784 1
1 827 . 16 1 1 A 68 68 ARG CB C 60 34.348 31.371 2.977 1
1 830 . 16 1 1 A 68 68 ARG N N 60 122.336 121.201 1.135 1
1 831 . 16 1 1 A 69 69 MET H H 61 9.018 7.868 1.150 1
1 832 . 16 1 1 A 69 69 MET HA H 61 4.997 5.121 -0.124 1
1 840 . 16 1 1 A 69 69 MET C C 61 172.463 174.565 -2.102 1
1 841 . 16 1 1 A 69 69 MET CA C 61 55.330 53.932 1.398 1
1 842 . 16 1 1 A 69 69 MET CB C 61 37.234 37.204 0.030 1
1 845 . 16 1 1 A 69 69 MET N N 61 119.640 123.619 -3.979 1
1 846 . 16 1 1 A 70 70 GLU H H 62 8.996 8.831 0.165 1
1 847 . 16 1 1 A 70 70 GLU HA H 62 5.365 5.014 0.351 1
1 852 . 16 1 1 A 70 70 GLU C C 62 173.523 174.687 -1.164 1
1 853 . 16 1 1 A 70 70 GLU CA C 62 54.326 54.879 -0.553 1
1 854 . 16 1 1 A 70 70 GLU CB C 62 33.915 33.477 0.438 1
1 856 . 16 1 1 A 70 70 GLU N N 62 122.200 123.419 -1.219 1
1 857 . 16 1 1 A 71 71 LEU H H 63 8.763 9.258 -0.495 1
1 858 . 16 1 1 A 71 71 LEU HA H 63 5.222 5.287 -0.065 1
1 868 . 16 1 1 A 71 71 LEU C C 63 175.719 174.946 0.773 1
1 869 . 16 1 1 A 71 71 LEU CA C 63 53.222 53.643 -0.421 1
1 870 . 16 1 1 A 71 71 LEU CB C 63 43.781 43.135 0.646 1
1 874 . 16 1 1 A 71 71 LEU N N 63 123.741 127.077 -3.336 1
1 875 . 16 1 1 A 72 72 ILE H H 64 9.006 9.387 -0.381 1
1 876 . 16 1 1 A 72 72 ILE HA H 64 4.316 5.107 -0.791 1
1 886 . 16 1 1 A 72 72 ILE C C 64 175.349 173.459 1.890 1
1 887 . 16 1 1 A 72 72 ILE CA C 64 60.921 60.291 0.630 1
1 888 . 16 1 1 A 72 72 ILE CB C 64 39.919 40.893 -0.974 1
1 892 . 16 1 1 A 72 72 ILE N N 64 123.633 126.744 -3.111 1
1 893 . 16 1 1 A 73 73 ILE H H 65 8.601 9.064 -0.463 1
1 894 . 16 1 1 A 73 73 ILE HA H 65 4.854 4.824 0.030 1
1 904 . 16 1 1 A 73 73 ILE CA C 65 58.440 57.405 1.035 1
1 905 . 16 1 1 A 73 73 ILE CB C 65 39.820 41.171 -1.351 1
1 909 . 16 1 1 A 73 73 ILE N N 65 128.410 129.718 -1.308 1
1 910 . 16 1 1 A 74 74 PRO HA H 66 4.265 4.302 -0.037 1
1 917 . 16 1 1 A 74 74 PRO C C 66 177.170 177.435 -0.265 1
1 918 . 16 1 1 A 74 74 PRO CA C 66 64.500 64.224 0.276 1
1 919 . 16 1 1 A 74 74 PRO CB C 66 31.826 31.486 0.340 1
1 922 . 16 1 1 A 75 75 GLY H H 67 8.704 8.840 -0.136 1
1 923 . 16 1 1 A 75 75 GLY HA2 H 67 3.753 3.943 -0.190 1
1 924 . 16 1 1 A 75 75 GLY HA3 H 67 4.251 3.955 0.296 1
1 925 . 16 1 1 A 75 75 GLY C C 67 174.192 175.053 -0.861 1
1 926 . 16 1 1 A 75 75 GLY CA C 67 45.479 45.524 -0.045 1
1 927 . 16 1 1 A 75 75 GLY N N 67 111.825 112.572 -0.747 1
1 928 . 16 1 1 A 76 76 GLU H H 68 8.258 7.758 0.500 1
1 929 . 16 1 1 A 76 76 GLU HA H 68 4.483 4.598 -0.115 1
1 934 . 16 1 1 A 76 76 GLU C C 68 175.838 176.751 -0.913 1
1 935 . 16 1 1 A 76 76 GLU CA C 68 56.178 58.008 -1.830 1
1 936 . 16 1 1 A 76 76 GLU CB C 68 31.066 30.799 0.267 1
1 938 . 16 1 1 A 76 76 GLU N N 68 118.446 119.889 -1.443 1
1 939 . 16 1 1 A 77 77 GLN H H 69 8.102 8.133 -0.031 1
1 940 . 16 1 1 A 77 77 GLN HA H 69 4.556 4.402 0.154 1
1 947 . 16 1 1 A 77 77 GLN C C 69 175.179 175.661 -0.482 1
1 948 . 16 1 1 A 77 77 GLN CA C 69 55.633 57.322 -1.689 1
1 949 . 16 1 1 A 77 77 GLN CB C 69 31.116 28.449 2.667 1
1 951 . 16 1 1 A 77 77 GLN N N 69 117.826 119.684 -1.858 1
1 953 . 16 1 1 A 78 78 HIS H H 70 8.857 8.888 -0.031 1
1 954 . 16 1 1 A 78 78 HIS HA H 70 4.923 4.117 0.806 1
1 957 . 16 1 1 A 78 78 HIS C C 70 173.113 173.723 -0.610 1
1 958 . 16 1 1 A 78 78 HIS CA C 70 54.623 56.673 -2.050 1
1 959 . 16 1 1 A 78 78 HIS CB C 70 30.231 27.942 2.289 1
1 960 . 16 1 1 A 78 78 HIS N N 70 120.752 119.494 1.258 1
1 961 . 16 1 1 A 79 79 PHE H H 71 9.120 7.786 1.334 1
1 962 . 16 1 1 A 79 79 PHE HA H 71 4.797 5.003 -0.206 1
1 967 . 16 1 1 A 79 79 PHE C C 71 174.341 173.824 0.517 1
1 968 . 16 1 1 A 79 79 PHE CA C 71 56.191 56.449 -0.258 1
1 969 . 16 1 1 A 79 79 PHE CB C 71 40.983 40.109 0.874 1
1 970 . 16 1 1 A 79 79 PHE N N 71 124.577 119.037 5.540 1
1 971 . 16 1 1 A 80 80 TYR H H 72 8.883 9.148 -0.265 1
1 972 . 16 1 1 A 80 80 TYR HA H 72 5.142 5.312 -0.170 1
1 979 . 16 1 1 A 80 80 TYR C C 72 175.115 173.932 1.183 1
1 980 . 16 1 1 A 80 80 TYR CA C 72 57.353 56.565 0.788 1
1 981 . 16 1 1 A 80 80 TYR CB C 72 39.753 41.998 -2.245 1
1 986 . 16 1 1 A 80 80 TYR N N 72 124.010 125.586 -1.576 1
1 987 . 16 1 1 A 81 81 MET H H 73 8.824 8.417 0.407 1
1 988 . 16 1 1 A 81 81 MET HA H 73 5.983 5.208 0.775 1
1 996 . 16 1 1 A 81 81 MET C C 73 175.053 174.598 0.455 1
1 997 . 16 1 1 A 81 81 MET CA C 73 54.453 53.653 0.800 1
1 998 . 16 1 1 A 81 81 MET CB C 73 38.584 36.153 2.431 1
1 1001 . 16 1 1 A 81 81 MET N N 73 120.151 124.917 -4.766 1
1 1002 . 16 1 1 A 82 82 LYS H H 74 9.103 8.640 0.463 1
1 1003 . 16 1 1 A 82 82 LYS HA H 74 4.800 4.701 0.099 1
1 1012 . 16 1 1 A 82 82 LYS C C 74 174.244 175.784 -1.540 1
1 1013 . 16 1 1 A 82 82 LYS CA C 74 55.314 54.682 0.632 1
1 1014 . 16 1 1 A 82 82 LYS CB C 74 36.251 35.718 0.533 1
1 1018 . 16 1 1 A 82 82 LYS N N 74 121.097 123.241 -2.144 1
1 1019 . 16 1 1 A 83 83 ALA H H 75 8.740 8.560 0.180 1
1 1020 . 16 1 1 A 83 83 ALA HA H 75 4.786 4.680 0.106 1
1 1024 . 16 1 1 A 83 83 ALA C C 75 177.126 178.316 -1.190 1
1 1025 . 16 1 1 A 83 83 ALA CA C 75 49.893 51.310 -1.417 1
1 1026 . 16 1 1 A 83 83 ALA CB C 75 21.311 20.123 1.188 1
1 1027 . 16 1 1 A 83 83 ALA N N 75 126.624 128.068 -1.444 1
1 1028 . 16 1 1 A 84 84 VAL H H 76 9.105 8.663 0.442 1
1 1029 . 16 1 1 A 84 84 VAL HA H 76 3.835 3.988 -0.153 1
1 1037 . 16 1 1 A 84 84 VAL C C 76 175.635 176.032 -0.397 1
1 1038 . 16 1 1 A 84 84 VAL CA C 76 64.888 65.627 -0.739 1
1 1039 . 16 1 1 A 84 84 VAL CB C 76 32.097 32.221 -0.124 1
1 1042 . 16 1 1 A 84 84 VAL N N 76 115.195 118.935 -3.740 1
1 1043 . 16 1 1 A 85 85 ASN H H 77 7.278 8.077 -0.799 1
1 1044 . 16 1 1 A 85 85 ASN HA H 77 4.476 5.027 -0.551 1
1 1049 . 16 1 1 A 85 85 ASN C C 77 174.796 175.247 -0.451 1
1 1050 . 16 1 1 A 85 85 ASN CA C 77 52.193 51.347 0.846 1
1 1051 . 16 1 1 A 85 85 ASN CB C 77 39.702 40.745 -1.043 1
1 1052 . 16 1 1 A 85 85 ASN N N 77 109.430 115.397 -5.967 1
1 1054 . 16 1 1 A 86 86 ALA H H 78 8.681 8.810 -0.129 1
1 1055 . 16 1 1 A 86 86 ALA HA H 78 4.195 3.998 0.197 1
1 1059 . 16 1 1 A 86 86 ALA C C 78 180.157 179.880 0.277 1
1 1060 . 16 1 1 A 86 86 ALA CA C 78 54.919 55.438 -0.519 1
1 1061 . 16 1 1 A 86 86 ALA CB C 78 18.721 18.291 0.430 1
1 1062 . 16 1 1 A 86 86 ALA N N 78 121.886 121.958 -0.072 1
1 1063 . 16 1 1 A 87 87 ALA H H 79 8.386 8.224 0.162 1
1 1064 . 16 1 1 A 87 87 ALA HA H 79 4.200 3.995 0.205 1
1 1068 . 16 1 1 A 87 87 ALA C C 79 181.167 180.250 0.917 1
1 1069 . 16 1 1 A 87 87 ALA CA C 79 55.195 55.230 -0.035 1
1 1070 . 16 1 1 A 87 87 ALA CB C 79 17.663 18.266 -0.603 1
1 1071 . 16 1 1 A 87 87 ALA N N 79 123.939 119.823 4.116 1
1 1072 . 16 1 1 A 88 88 GLU H H 80 8.743 8.328 0.415 1
1 1073 . 16 1 1 A 88 88 GLU HA H 80 4.260 4.015 0.245 1
1 1078 . 16 1 1 A 88 88 GLU C C 80 178.848 179.295 -0.447 1
1 1079 . 16 1 1 A 88 88 GLU CA C 80 59.191 59.514 -0.323 1
1 1080 . 16 1 1 A 88 88 GLU CB C 80 29.898 29.483 0.415 1
1 1082 . 16 1 1 A 88 88 GLU N N 80 119.694 117.922 1.772 1
1 1083 . 16 1 1 A 89 89 ARG H H 81 7.936 8.359 -0.423 1
1 1084 . 16 1 1 A 89 89 ARG HA H 81 3.780 4.037 -0.257 1
1 1087 . 16 1 1 A 89 89 ARG C C 81 177.596 178.736 -1.140 1
1 1088 . 16 1 1 A 89 89 ARG CA C 81 61.042 59.438 1.604 1
1 1089 . 16 1 1 A 89 89 ARG CB C 81 29.630 29.892 -0.262 1
1 1090 . 16 1 1 A 89 89 ARG N N 81 119.080 120.549 -1.469 1
1 1091 . 16 1 1 A 90 90 GLN H H 82 8.063 8.127 -0.064 1
1 1092 . 16 1 1 A 90 90 GLN HA H 82 4.039 4.039 0.000 1
1 1099 . 16 1 1 A 90 90 GLN C C 82 177.419 178.346 -0.927 1
1 1100 . 16 1 1 A 90 90 GLN CA C 82 59.069 59.045 0.024 1
1 1101 . 16 1 1 A 90 90 GLN CB C 82 27.786 28.302 -0.516 1
1 1103 . 16 1 1 A 90 90 GLN N N 82 118.390 118.491 -0.101 1
1 1105 . 16 1 1 A 91 91 ARG H H 83 7.700 7.633 0.067 1
1 1106 . 16 1 1 A 91 91 ARG HA H 83 3.961 3.946 0.015 1
1 1114 . 16 1 1 A 91 91 ARG C C 83 180.016 178.971 1.045 1
1 1115 . 16 1 1 A 91 91 ARG CA C 83 59.750 59.546 0.204 1
1 1116 . 16 1 1 A 91 91 ARG CB C 83 30.401 29.716 0.685 1
1 1119 . 16 1 1 A 91 91 ARG N N 83 117.912 118.593 -0.681 1
1 1121 . 16 1 1 A 92 92 TRP H H 84 7.895 7.860 0.035 1
1 1122 . 16 1 1 A 92 92 TRP HA H 84 4.115 4.460 -0.345 1
1 1130 . 16 1 1 A 92 92 TRP C C 84 178.111 179.148 -1.037 1
1 1131 . 16 1 1 A 92 92 TRP CA C 84 61.633 59.766 1.867 1
1 1132 . 16 1 1 A 92 92 TRP CB C 84 29.032 29.626 -0.594 1
1 1137 . 16 1 1 A 92 92 TRP N N 84 119.237 121.062 -1.825 1
1 1139 . 16 1 1 A 93 93 LEU H H 85 8.988 8.673 0.315 1
1 1140 . 16 1 1 A 93 93 LEU HA H 85 3.978 3.982 -0.004 1
1 1150 . 16 1 1 A 93 93 LEU C C 85 180.925 179.645 1.280 1
1 1151 . 16 1 1 A 93 93 LEU CA C 85 58.716 57.918 0.798 1
1 1152 . 16 1 1 A 93 93 LEU CB C 85 41.506 41.212 0.294 1
1 1156 . 16 1 1 A 93 93 LEU N N 85 119.853 120.174 -0.321 1
1 1157 . 16 1 1 A 94 94 VAL H H 86 8.233 8.331 -0.098 1
1 1158 . 16 1 1 A 94 94 VAL HA H 86 3.695 3.502 0.193 1
1 1166 . 16 1 1 A 94 94 VAL C C 86 178.733 177.735 0.998 1
1 1167 . 16 1 1 A 94 94 VAL CA C 86 66.250 66.625 -0.375 1
1 1168 . 16 1 1 A 94 94 VAL CB C 86 31.886 31.472 0.414 1
1 1171 . 16 1 1 A 94 94 VAL N N 86 120.164 119.798 0.366 1
1 1172 . 16 1 1 A 95 95 ALA H H 87 7.345 7.645 -0.300 1
1 1173 . 16 1 1 A 95 95 ALA HA H 87 4.113 3.977 0.136 1
1 1177 . 16 1 1 A 95 95 ALA C C 87 180.055 180.360 -0.305 1
1 1178 . 16 1 1 A 95 95 ALA CA C 87 55.410 55.367 0.043 1
1 1179 . 16 1 1 A 95 95 ALA CB C 87 18.816 18.391 0.425 1
1 1180 . 16 1 1 A 95 95 ALA N N 87 123.818 121.567 2.251 1
1 1181 . 16 1 1 A 96 96 LEU H H 88 9.342 8.789 0.553 1
1 1182 . 16 1 1 A 96 96 LEU HA H 88 4.003 3.951 0.052 1
1 1192 . 16 1 1 A 96 96 LEU C C 88 179.349 179.306 0.043 1
1 1193 . 16 1 1 A 96 96 LEU CA C 88 57.786 58.273 -0.487 1
1 1194 . 16 1 1 A 96 96 LEU CB C 88 41.848 41.898 -0.050 1
1 1198 . 16 1 1 A 96 96 LEU N N 88 117.857 118.446 -0.589 1
1 1199 . 16 1 1 A 97 97 GLY H H 89 8.252 8.465 -0.213 1
1 1200 . 16 1 1 A 97 97 GLY HA2 H 89 3.819 3.841 -0.022 1
1 1201 . 16 1 1 A 97 97 GLY HA3 H 89 3.948 3.846 0.102 1
1 1202 . 16 1 1 A 97 97 GLY C C 89 176.463 176.161 0.302 1
1 1203 . 16 1 1 A 97 97 GLY CA C 89 46.620 47.594 -0.974 1
1 1204 . 16 1 1 A 97 97 GLY N N 89 105.618 105.891 -0.273 1
1 1205 . 16 1 1 A 98 98 SER H H 90 8.068 7.853 0.215 1
1 1206 . 16 1 1 A 98 98 SER HA H 90 4.377 4.120 0.257 1
1 1209 . 16 1 1 A 98 98 SER C C 90 176.144 176.735 -0.591 1
1 1210 . 16 1 1 A 98 98 SER CA C 90 60.842 61.173 -0.331 1
1 1211 . 16 1 1 A 98 98 SER CB C 90 63.116 63.155 -0.039 1
1 1212 . 16 1 1 A 98 98 SER N N 90 117.602 117.143 0.459 1
1 1213 . 16 1 1 A 99 99 SER H H 91 8.036 7.651 0.385 1
1 1214 . 16 1 1 A 99 99 SER HA H 91 4.324 4.197 0.127 1
1 1217 . 16 1 1 A 99 99 SER C C 91 175.818 177.370 -1.552 1
1 1218 . 16 1 1 A 99 99 SER CA C 91 60.720 61.380 -0.660 1
1 1219 . 16 1 1 A 99 99 SER CB C 91 63.831 62.919 0.912 1
1 1220 . 16 1 1 A 99 99 SER N N 91 116.877 115.878 0.999 1
1 1221 . 16 1 1 A 100 100 LYS H H 92 7.838 7.760 0.078 1
1 1222 . 16 1 1 A 100 100 LYS HA H 92 4.068 4.062 0.006 1
1 1231 . 16 1 1 A 100 100 LYS C C 92 177.235 177.904 -0.669 1
1 1232 . 16 1 1 A 100 100 LYS CA C 92 58.121 58.751 -0.630 1
1 1233 . 16 1 1 A 100 100 LYS CB C 92 32.263 32.051 0.212 1
1 1237 . 16 1 1 A 100 100 LYS N N 92 119.456 121.271 -1.815 1
1 1238 . 16 1 1 A 101 101 ALA H H 93 7.924 7.430 0.494 1
1 1239 . 16 1 1 A 101 101 ALA HA H 93 4.321 4.250 0.071 1
1 1243 . 16 1 1 A 101 101 ALA C C 93 178.323 177.976 0.347 1
1 1244 . 16 1 1 A 101 101 ALA CA C 93 53.435 53.206 0.229 1
1 1245 . 16 1 1 A 101 101 ALA CB C 93 18.969 18.348 0.621 1
1 1246 . 16 1 1 A 101 101 ALA N N 93 122.054 120.825 1.229 1
1 1247 . 16 1 1 A 102 102 SER H H 94 8.061 8.727 -0.666 1
1 1248 . 16 1 1 A 102 102 SER HA H 94 4.451 4.022 0.429 1
1 1251 . 16 1 1 A 102 102 SER C C 94 174.773 173.349 1.424 1
1 1252 . 16 1 1 A 102 102 SER CA C 94 59.086 58.974 0.112 1
1 1253 . 16 1 1 A 102 102 SER CB C 94 63.766 61.148 2.618 1
1 1254 . 16 1 1 A 102 102 SER N N 94 114.102 115.662 -1.560 1
1 1255 . 16 1 1 A 103 103 LEU H H 95 8.053 7.732 0.321 1
1 1256 . 16 1 1 A 103 103 LEU HA H 95 4.507 4.229 0.278 1
1 1266 . 16 1 1 A 103 103 LEU C C 95 177.589 175.989 1.600 1
1 1267 . 16 1 1 A 103 103 LEU CA C 95 55.398 55.612 -0.214 1
1 1268 . 16 1 1 A 103 103 LEU CB C 95 42.435 43.086 -0.651 1
1 1272 . 16 1 1 A 103 103 LEU N N 95 123.264 121.752 1.512 1
1 1273 . 16 1 1 A 104 104 THR H H 96 8.045 8.513 -0.468 1
1 1274 . 16 1 1 A 104 104 THR HA H 96 4.383 4.472 -0.089 1
1 1279 . 16 1 1 A 104 104 THR C C 96 174.128 173.819 0.309 1
1 1280 . 16 1 1 A 104 104 THR CA C 96 61.982 61.220 0.762 1
1 1281 . 16 1 1 A 104 104 THR CB C 96 69.938 70.110 -0.172 1
1 1283 . 16 1 1 A 104 104 THR N N 96 113.833 115.350 -1.517 1
1 1284 . 16 1 1 A 105 105 ASP H H 97 8.346 8.770 -0.424 1
1 1285 . 16 1 1 A 105 105 ASP HA H 97 4.740 4.609 0.131 1
1 1288 . 16 1 1 A 105 105 ASP C C 97 176.310 175.152 1.158 1
1 1289 . 16 1 1 A 105 105 ASP CA C 97 54.300 54.444 -0.144 1
1 1290 . 16 1 1 A 105 105 ASP CB C 97 41.174 40.874 0.300 1
1 1291 . 16 1 1 A 105 105 ASP N N 97 123.107 120.684 2.423 1
1 1292 . 16 1 1 A 106 106 THR H H 98 8.147 8.404 -0.257 1
1 1293 . 16 1 1 A 106 106 THR HA H 98 4.355 4.504 -0.149 1
1 1298 . 16 1 1 A 106 106 THR C C 98 174.523 174.223 0.300 1
1 1299 . 16 1 1 A 106 106 THR CA C 98 61.937 61.490 0.447 1
1 1300 . 16 1 1 A 106 106 THR CB C 98 69.656 68.425 1.231 1
1 1302 . 16 1 1 A 106 106 THR N N 98 114.857 114.457 0.400 1
1 1303 . 16 1 1 A 107 107 ARG H H 99 8.385 8.249 0.136 1
1 1304 . 16 1 1 A 107 107 ARG HA H 99 4.442 4.523 -0.081 1
1 1312 . 16 1 1 A 107 107 ARG C C 99 175.764 176.670 -0.906 1
1 1313 . 16 1 1 A 107 107 ARG CA C 99 56.311 55.254 1.057 1
1 1314 . 16 1 1 A 107 107 ARG CB C 99 30.745 31.697 -0.952 1
1 1317 . 16 1 1 A 107 107 ARG N N 99 123.999 127.167 -3.168 1
1 1 . 17 1 1 A 2 2 PRO HA H -6 4.460 4.628 -0.168 1
1 8 . 17 1 1 A 2 2 PRO C C -6 176.875 175.530 1.345 1
1 9 . 17 1 1 A 2 2 PRO CA C -6 63.159 62.967 0.192 1
1 10 . 17 1 1 A 2 2 PRO CB C -6 32.292 31.680 0.612 1
1 13 . 17 1 1 A 3 3 LEU H H -5 8.483 8.680 -0.197 1
1 14 . 17 1 1 A 3 3 LEU HA H -5 4.334 4.780 -0.446 1
1 24 . 17 1 1 A 3 3 LEU C C -5 177.797 176.639 1.158 1
1 25 . 17 1 1 A 3 3 LEU CA C -5 55.474 53.858 1.616 1
1 26 . 17 1 1 A 3 3 LEU CB C -5 42.239 44.864 -2.625 1
1 30 . 17 1 1 A 3 3 LEU N N -5 122.315 123.785 -1.470 1
1 31 . 17 1 1 A 4 4 GLY H H -4 8.393 8.922 -0.529 1
1 32 . 17 1 1 A 4 4 GLY HA2 H -4 3.978 3.974 0.004 1
1 33 . 17 1 1 A 4 4 GLY HA3 H -4 3.978 3.975 0.003 1
1 34 . 17 1 1 A 4 4 GLY C C -4 173.730 174.251 -0.521 1
1 35 . 17 1 1 A 4 4 GLY CA C -4 45.158 45.671 -0.513 1
1 36 . 17 1 1 A 4 4 GLY N N -4 109.911 114.597 -4.686 1
1 37 . 17 1 1 A 5 5 SER H H -3 8.162 8.077 0.085 1
1 38 . 17 1 1 A 5 5 SER HA H -3 4.764 4.529 0.235 1
1 41 . 17 1 1 A 5 5 SER CA C -3 56.323 57.142 -0.819 1
1 42 . 17 1 1 A 5 5 SER CB C -3 63.515 63.376 0.139 1
1 43 . 17 1 1 A 5 5 SER N N -3 116.873 117.164 -0.291 1
1 44 . 17 1 1 A 6 6 PRO HA H -2 4.399 4.631 -0.232 1
1 47 . 17 1 1 A 6 6 PRO C C -2 176.587 177.153 -0.566 1
1 48 . 17 1 1 A 6 6 PRO CA C -2 63.552 63.132 0.420 1
1 49 . 17 1 1 A 6 6 PRO CB C -2 31.997 31.084 0.913 1
1 50 . 17 1 1 A 7 7 GLU H H -1 8.364 8.444 -0.080 1
1 51 . 17 1 1 A 7 7 GLU HA H -1 4.285 4.027 0.258 1
1 56 . 17 1 1 A 7 7 GLU C C -1 174.954 175.723 -0.769 1
1 57 . 17 1 1 A 7 7 GLU CA C -1 56.486 57.331 -0.845 1
1 58 . 17 1 1 A 7 7 GLU CB C -1 29.924 28.333 1.591 1
1 60 . 17 1 1 A 7 7 GLU N N -1 119.665 118.223 1.442 1
1 61 . 17 1 1 A 8 8 PHE H H 0 7.872 8.045 -0.173 1
1 62 . 17 1 1 A 8 8 PHE HA H 0 5.204 5.603 -0.399 1
1 67 . 17 1 1 A 8 8 PHE C C 0 174.670 173.470 1.200 1
1 68 . 17 1 1 A 8 8 PHE CA C 0 56.861 56.476 0.385 1
1 69 . 17 1 1 A 8 8 PHE CB C 0 41.874 42.436 -0.562 1
1 72 . 17 1 1 A 8 8 PHE N N 0 122.497 121.358 1.139 1
1 73 . 17 1 1 A 9 9 MET H H 1 7.833 8.288 -0.455 1
1 74 . 17 1 1 A 9 9 MET HA H 1 4.095 4.857 -0.762 1
1 82 . 17 1 1 A 9 9 MET C C 1 171.191 174.116 -2.925 1
1 83 . 17 1 1 A 9 9 MET CA C 1 54.613 53.959 0.654 1
1 84 . 17 1 1 A 9 9 MET CB C 1 34.867 35.458 -0.591 1
1 87 . 17 1 1 A 9 9 MET N N 1 127.163 126.896 0.267 1
1 88 . 17 1 1 A 10 10 GLU H H 2 7.698 8.769 -1.071 1
1 89 . 17 1 1 A 10 10 GLU HA H 2 5.603 5.222 0.381 1
1 94 . 17 1 1 A 10 10 GLU C C 2 174.743 174.566 0.177 1
1 95 . 17 1 1 A 10 10 GLU CA C 2 53.345 54.393 -1.048 1
1 96 . 17 1 1 A 10 10 GLU CB C 2 32.408 33.750 -1.342 1
1 98 . 17 1 1 A 10 10 GLU N N 2 118.654 122.145 -3.491 1
1 99 . 17 1 1 A 11 11 GLY H H 3 7.994 7.297 0.697 1
1 100 . 17 1 1 A 11 11 GLY HA2 H 3 3.115 3.634 -0.519 1
1 101 . 17 1 1 A 11 11 GLY HA3 H 3 4.377 4.184 0.193 1
1 102 . 17 1 1 A 11 11 GLY C C 3 170.878 171.890 -1.012 1
1 103 . 17 1 1 A 11 11 GLY CA C 3 45.086 44.441 0.645 1
1 104 . 17 1 1 A 11 11 GLY N N 3 108.296 106.362 1.934 1
1 105 . 17 1 1 A 12 12 VAL H H 4 8.463 8.524 -0.061 1
1 106 . 17 1 1 A 12 12 VAL HA H 4 4.969 5.554 -0.585 1
1 114 . 17 1 1 A 12 12 VAL C C 4 177.805 174.463 3.342 1
1 115 . 17 1 1 A 12 12 VAL CA C 4 62.373 59.710 2.663 1
1 116 . 17 1 1 A 12 12 VAL CB C 4 33.152 34.352 -1.200 1
1 119 . 17 1 1 A 12 12 VAL N N 4 119.624 115.042 4.582 1
1 120 . 17 1 1 A 13 13 LEU H H 5 8.647 9.182 -0.535 1
1 121 . 17 1 1 A 13 13 LEU HA H 5 4.382 4.969 -0.587 1
1 131 . 17 1 1 A 13 13 LEU C C 5 175.407 175.383 0.024 1
1 132 . 17 1 1 A 13 13 LEU CA C 5 54.139 53.585 0.554 1
1 133 . 17 1 1 A 13 13 LEU CB C 5 46.374 45.587 0.787 1
1 137 . 17 1 1 A 13 13 LEU N N 5 125.806 123.657 2.149 1
1 138 . 17 1 1 A 14 14 TYR H H 6 9.007 9.170 -0.163 1
1 139 . 17 1 1 A 14 14 TYR HA H 6 5.026 5.286 -0.260 1
1 144 . 17 1 1 A 14 14 TYR C C 6 175.047 174.693 0.354 1
1 145 . 17 1 1 A 14 14 TYR CA C 6 57.484 58.911 -1.427 1
1 146 . 17 1 1 A 14 14 TYR CB C 6 39.400 38.815 0.585 1
1 147 . 17 1 1 A 14 14 TYR N N 6 118.975 123.935 -4.960 1
1 148 . 17 1 1 A 15 15 LYS H H 7 9.549 8.935 0.614 1
1 149 . 17 1 1 A 15 15 LYS HA H 7 5.467 4.737 0.730 1
1 158 . 17 1 1 A 15 15 LYS C C 7 175.772 175.599 0.173 1
1 159 . 17 1 1 A 15 15 LYS CA C 7 54.136 54.576 -0.440 1
1 160 . 17 1 1 A 15 15 LYS CB C 7 37.043 35.138 1.905 1
1 164 . 17 1 1 A 15 15 LYS N N 7 123.867 128.283 -4.416 1
1 165 . 17 1 1 A 16 16 TRP H H 8 8.355 8.662 -0.307 1
1 166 . 17 1 1 A 16 16 TRP HA H 8 3.893 4.775 -0.882 1
1 175 . 17 1 1 A 16 16 TRP C C 8 176.038 176.391 -0.353 1
1 176 . 17 1 1 A 16 16 TRP CA C 8 57.880 57.198 0.682 1
1 177 . 17 1 1 A 16 16 TRP CB C 8 29.347 30.376 -1.029 1
1 183 . 17 1 1 A 16 16 TRP N N 8 129.111 129.745 -0.634 1
1 185 . 17 1 1 A 17 17 THR H H 9 6.754 8.605 -1.851 1
1 186 . 17 1 1 A 17 17 THR HA H 9 4.127 4.282 -0.155 1
1 191 . 17 1 1 A 17 17 THR C C 9 172.153 173.893 -1.740 1
1 192 . 17 1 1 A 17 17 THR CA C 9 61.413 61.946 -0.533 1
1 193 . 17 1 1 A 17 17 THR CB C 9 69.317 69.039 0.278 1
1 195 . 17 1 1 A 17 17 THR N N 9 121.030 119.001 2.029 1
1 196 . 17 1 1 A 18 18 ASN H H 10 7.418 7.231 0.187 1
1 197 . 17 1 1 A 18 18 ASN HA H 10 4.051 5.091 -1.040 1
1 202 . 17 1 1 A 18 18 ASN C C 10 174.308 175.403 -1.095 1
1 203 . 17 1 1 A 18 18 ASN CA C 10 52.089 51.307 0.782 1
1 204 . 17 1 1 A 18 18 ASN CB C 10 39.339 42.141 -2.802 1
1 205 . 17 1 1 A 18 18 ASN N N 10 115.655 116.979 -1.324 1
1 207 . 17 1 1 A 19 19 TYR H H 11 8.348 9.107 -0.759 1
1 208 . 17 1 1 A 19 19 TYR HA H 11 4.284 4.302 -0.018 1
1 215 . 17 1 1 A 19 19 TYR C C 11 175.974 177.377 -1.403 1
1 216 . 17 1 1 A 19 19 TYR CA C 11 60.774 60.498 0.276 1
1 217 . 17 1 1 A 19 19 TYR CB C 11 37.815 37.898 -0.083 1
1 222 . 17 1 1 A 19 19 TYR N N 11 115.508 120.960 -5.452 1
1 223 . 17 1 1 A 20 20 LEU H H 12 7.827 7.539 0.288 1
1 224 . 17 1 1 A 20 20 LEU HA H 12 4.091 3.906 0.185 1
1 234 . 17 1 1 A 20 20 LEU C C 12 178.711 179.007 -0.296 1
1 235 . 17 1 1 A 20 20 LEU CA C 12 56.966 57.533 -0.567 1
1 236 . 17 1 1 A 20 20 LEU CB C 12 41.922 41.771 0.151 1
1 240 . 17 1 1 A 20 20 LEU N N 12 120.867 122.290 -1.423 1
1 241 . 17 1 1 A 21 21 THR H H 13 7.651 7.652 -0.001 1
1 242 . 17 1 1 A 21 21 THR HA H 13 4.162 4.260 -0.098 1
1 247 . 17 1 1 A 21 21 THR C C 13 175.842 175.577 0.265 1
1 248 . 17 1 1 A 21 21 THR CA C 13 62.159 62.470 -0.311 1
1 249 . 17 1 1 A 21 21 THR CB C 13 69.191 70.313 -1.122 1
1 251 . 17 1 1 A 21 21 THR N N 13 108.304 107.164 1.140 1
1 252 . 17 1 1 A 22 22 GLY H H 14 7.679 8.623 -0.944 1
1 253 . 17 1 1 A 22 22 GLY HA2 H 14 2.802 3.716 -0.914 1
1 254 . 17 1 1 A 22 22 GLY HA3 H 14 3.715 3.970 -0.255 1
1 255 . 17 1 1 A 22 22 GLY C C 14 175.108 173.315 1.793 1
1 256 . 17 1 1 A 22 22 GLY CA C 14 46.131 46.822 -0.691 1
1 257 . 17 1 1 A 22 22 GLY N N 14 109.901 110.519 -0.618 1
1 258 . 17 1 1 A 23 23 TRP H H 15 8.817 7.527 1.290 1
1 259 . 17 1 1 A 23 23 TRP HA H 15 4.724 5.304 -0.580 1
1 268 . 17 1 1 A 23 23 TRP C C 15 176.569 173.451 3.118 1
1 269 . 17 1 1 A 23 23 TRP CA C 15 56.897 55.493 1.404 1
1 270 . 17 1 1 A 23 23 TRP CB C 15 29.825 32.596 -2.771 1
1 275 . 17 1 1 A 23 23 TRP N N 15 126.927 120.558 6.369 1
1 277 . 17 1 1 A 24 24 GLN H H 16 8.931 8.843 0.088 1
1 278 . 17 1 1 A 24 24 GLN HA H 16 5.186 4.384 0.802 1
1 285 . 17 1 1 A 24 24 GLN CA C 16 52.369 51.796 0.573 1
1 286 . 17 1 1 A 24 24 GLN CB C 16 31.536 30.795 0.741 1
1 288 . 17 1 1 A 24 24 GLN N N 16 122.710 119.909 2.801 1
1 290 . 17 1 1 A 25 25 PRO HA H 17 4.206 4.967 -0.761 1
1 297 . 17 1 1 A 25 25 PRO C C 17 176.918 176.125 0.793 1
1 298 . 17 1 1 A 25 25 PRO CA C 17 62.894 63.190 -0.296 1
1 299 . 17 1 1 A 25 25 PRO CB C 17 31.444 31.772 -0.328 1
1 302 . 17 1 1 A 26 26 ARG H H 18 9.041 8.959 0.082 1
1 303 . 17 1 1 A 26 26 ARG HA H 18 4.857 5.003 -0.146 1
1 310 . 17 1 1 A 26 26 ARG C C 18 173.102 174.572 -1.470 1
1 311 . 17 1 1 A 26 26 ARG CA C 18 53.273 54.812 -1.539 1
1 312 . 17 1 1 A 26 26 ARG CB C 18 34.254 33.242 1.012 1
1 315 . 17 1 1 A 26 26 ARG N N 18 123.602 123.805 -0.203 1
1 316 . 17 1 1 A 27 27 TRP H H 19 8.375 8.537 -0.162 1
1 317 . 17 1 1 A 27 27 TRP HA H 19 5.077 5.249 -0.172 1
1 326 . 17 1 1 A 27 27 TRP C C 19 174.728 174.782 -0.054 1
1 327 . 17 1 1 A 27 27 TRP CA C 19 56.157 56.498 -0.341 1
1 328 . 17 1 1 A 27 27 TRP CB C 19 31.116 31.360 -0.244 1
1 334 . 17 1 1 A 27 27 TRP N N 19 121.669 124.984 -3.315 1
1 336 . 17 1 1 A 28 28 PHE H H 20 9.016 9.342 -0.326 1
1 337 . 17 1 1 A 28 28 PHE HA H 20 5.385 5.435 -0.050 1
1 345 . 17 1 1 A 28 28 PHE C C 20 174.685 174.497 0.188 1
1 346 . 17 1 1 A 28 28 PHE CA C 20 56.699 56.541 0.158 1
1 347 . 17 1 1 A 28 28 PHE CB C 20 43.155 42.739 0.416 1
1 353 . 17 1 1 A 28 28 PHE N N 20 128.520 126.252 2.268 1
1 354 . 17 1 1 A 29 29 VAL H H 21 9.058 9.190 -0.132 1
1 355 . 17 1 1 A 29 29 VAL HA H 21 4.681 5.198 -0.517 1
1 363 . 17 1 1 A 29 29 VAL C C 21 174.804 173.791 1.013 1
1 364 . 17 1 1 A 29 29 VAL CA C 21 61.719 59.648 2.071 1
1 365 . 17 1 1 A 29 29 VAL CB C 21 36.416 35.819 0.597 1
1 368 . 17 1 1 A 29 29 VAL N N 21 117.562 116.261 1.301 1
1 369 . 17 1 1 A 30 30 LEU H H 22 9.543 9.016 0.527 1
1 370 . 17 1 1 A 30 30 LEU HA H 22 5.311 5.135 0.176 1
1 380 . 17 1 1 A 30 30 LEU C C 22 173.506 174.892 -1.386 1
1 381 . 17 1 1 A 30 30 LEU CA C 22 53.213 53.858 -0.645 1
1 382 . 17 1 1 A 30 30 LEU CB C 22 44.939 43.969 0.970 1
1 386 . 17 1 1 A 30 30 LEU N N 22 131.939 127.260 4.679 1
1 387 . 17 1 1 A 31 31 ASP H H 23 8.513 9.293 -0.780 1
1 388 . 17 1 1 A 31 31 ASP HA H 23 5.151 5.034 0.117 1
1 391 . 17 1 1 A 31 31 ASP C C 23 176.940 175.101 1.839 1
1 392 . 17 1 1 A 31 31 ASP CA C 23 53.671 53.395 0.276 1
1 393 . 17 1 1 A 31 31 ASP CB C 23 43.770 43.016 0.754 1
1 394 . 17 1 1 A 31 31 ASP N N 23 121.978 125.486 -3.508 1
1 395 . 17 1 1 A 32 32 ASN H H 24 9.280 9.021 0.259 1
1 396 . 17 1 1 A 32 32 ASN HA H 24 4.421 4.607 -0.186 1
1 401 . 17 1 1 A 32 32 ASN C C 24 175.044 175.491 -0.447 1
1 402 . 17 1 1 A 32 32 ASN CA C 24 54.362 54.537 -0.175 1
1 403 . 17 1 1 A 32 32 ASN CB C 24 37.804 37.323 0.481 1
1 404 . 17 1 1 A 32 32 ASN N N 24 125.653 125.986 -0.333 1
1 406 . 17 1 1 A 33 33 GLY H H 25 8.997 8.757 0.240 1
1 407 . 17 1 1 A 33 33 GLY HA2 H 25 3.581 3.841 -0.260 1
1 408 . 17 1 1 A 33 33 GLY HA3 H 25 4.154 3.843 0.311 1
1 409 . 17 1 1 A 33 33 GLY C C 25 173.215 173.678 -0.463 1
1 410 . 17 1 1 A 33 33 GLY CA C 25 45.930 45.483 0.447 1
1 411 . 17 1 1 A 33 33 GLY N N 25 102.623 102.986 -0.363 1
1 412 . 17 1 1 A 34 34 ILE H H 26 7.955 7.778 0.177 1
1 413 . 17 1 1 A 34 34 ILE HA H 26 4.771 4.435 0.336 1
1 423 . 17 1 1 A 34 34 ILE C C 26 174.753 173.991 0.762 1
1 424 . 17 1 1 A 34 34 ILE CA C 26 59.201 60.462 -1.261 1
1 425 . 17 1 1 A 34 34 ILE CB C 26 39.393 40.452 -1.059 1
1 429 . 17 1 1 A 34 34 ILE N N 26 122.350 123.179 -0.829 1
1 430 . 17 1 1 A 35 35 LEU H H 27 9.274 9.425 -0.151 1
1 431 . 17 1 1 A 35 35 LEU HA H 27 5.441 5.327 0.114 1
1 441 . 17 1 1 A 35 35 LEU C C 27 175.131 175.098 0.033 1
1 442 . 17 1 1 A 35 35 LEU CA C 27 53.160 53.498 -0.338 1
1 443 . 17 1 1 A 35 35 LEU CB C 27 44.532 44.688 -0.156 1
1 447 . 17 1 1 A 35 35 LEU N N 27 132.013 130.907 1.106 1
1 448 . 17 1 1 A 36 36 SER H H 28 9.668 9.171 0.497 1
1 449 . 17 1 1 A 36 36 SER HA H 28 5.379 5.269 0.110 1
1 452 . 17 1 1 A 36 36 SER C C 28 171.968 173.555 -1.587 1
1 453 . 17 1 1 A 36 36 SER CA C 28 57.345 57.720 -0.375 1
1 454 . 17 1 1 A 36 36 SER CB C 28 66.044 64.866 1.178 1
1 455 . 17 1 1 A 36 36 SER N N 28 123.682 125.017 -1.335 1
1 456 . 17 1 1 A 37 37 TYR H H 29 7.452 8.364 -0.912 1
1 457 . 17 1 1 A 37 37 TYR HA H 29 5.658 5.522 0.136 1
1 464 . 17 1 1 A 37 37 TYR C C 29 172.731 174.024 -1.293 1
1 465 . 17 1 1 A 37 37 TYR CA C 29 54.632 55.102 -0.470 1
1 466 . 17 1 1 A 37 37 TYR CB C 29 39.599 41.377 -1.778 1
1 471 . 17 1 1 A 37 37 TYR N N 29 115.554 120.611 -5.057 1
1 472 . 17 1 1 A 38 38 TYR H H 30 9.116 9.310 -0.194 1
1 473 . 17 1 1 A 38 38 TYR HA H 30 4.626 4.915 -0.289 1
1 480 . 17 1 1 A 38 38 TYR C C 30 175.771 175.322 0.449 1
1 481 . 17 1 1 A 38 38 TYR CA C 30 56.194 56.491 -0.297 1
1 482 . 17 1 1 A 38 38 TYR CB C 30 43.253 43.231 0.022 1
1 487 . 17 1 1 A 38 38 TYR N N 30 117.937 119.563 -1.626 1
1 488 . 17 1 1 A 39 39 ASP H H 31 9.474 9.825 -0.351 1
1 489 . 17 1 1 A 39 39 ASP HA H 31 4.624 4.602 0.022 1
1 492 . 17 1 1 A 39 39 ASP C C 31 176.264 175.649 0.615 1
1 493 . 17 1 1 A 39 39 ASP CA C 31 58.144 56.167 1.977 1
1 494 . 17 1 1 A 39 39 ASP CB C 31 40.399 42.140 -1.741 1
1 495 . 17 1 1 A 39 39 ASP N N 31 121.988 122.276 -0.288 1
1 496 . 17 1 1 A 40 40 SER H H 32 7.511 7.661 -0.150 1
1 497 . 17 1 1 A 40 40 SER HA H 32 4.567 4.533 0.034 1
1 500 . 17 1 1 A 40 40 SER C C 32 173.752 173.724 0.028 1
1 501 . 17 1 1 A 40 40 SER CA C 32 57.211 56.480 0.731 1
1 502 . 17 1 1 A 40 40 SER CB C 32 65.547 64.572 0.975 1
1 503 . 17 1 1 A 40 40 SER N N 32 107.441 112.099 -4.658 1
1 504 . 17 1 1 A 41 41 GLN H H 33 8.828 8.431 0.397 1
1 505 . 17 1 1 A 41 41 GLN HA H 33 2.511 2.950 -0.439 1
1 512 . 17 1 1 A 41 41 GLN C C 33 177.001 176.338 0.663 1
1 513 . 17 1 1 A 41 41 GLN CA C 33 58.261 58.709 -0.448 1
1 514 . 17 1 1 A 41 41 GLN CB C 33 27.168 28.242 -1.074 1
1 516 . 17 1 1 A 41 41 GLN N N 33 123.170 124.288 -1.118 1
1 518 . 17 1 1 A 42 42 ASP H H 34 7.774 8.120 -0.346 1
1 519 . 17 1 1 A 42 42 ASP HA H 34 4.289 4.242 0.047 1
1 522 . 17 1 1 A 42 42 ASP C C 34 176.567 178.030 -1.463 1
1 523 . 17 1 1 A 42 42 ASP CA C 34 55.710 56.804 -1.094 1
1 524 . 17 1 1 A 42 42 ASP CB C 34 40.459 41.245 -0.786 1
1 525 . 17 1 1 A 42 42 ASP N N 34 116.558 119.883 -3.325 1
1 526 . 17 1 1 A 43 43 ASP H H 35 7.388 8.014 -0.626 1
1 527 . 17 1 1 A 43 43 ASP HA H 35 4.755 4.348 0.407 1
1 530 . 17 1 1 A 43 43 ASP C C 35 177.129 178.483 -1.354 1
1 531 . 17 1 1 A 43 43 ASP CA C 35 54.563 56.244 -1.681 1
1 532 . 17 1 1 A 43 43 ASP CB C 35 42.434 41.496 0.938 1
1 533 . 17 1 1 A 43 43 ASP N N 35 117.173 119.349 -2.176 1
1 534 . 17 1 1 A 44 44 VAL H H 36 7.063 7.556 -0.493 1
1 535 . 17 1 1 A 44 44 VAL HA H 36 3.372 1.632 1.740 1
1 543 . 17 1 1 A 44 44 VAL C C 36 178.169 178.306 -0.137 1
1 544 . 17 1 1 A 44 44 VAL CA C 36 65.325 65.582 -0.257 1
1 545 . 17 1 1 A 44 44 VAL CB C 36 31.179 30.924 0.255 1
1 548 . 17 1 1 A 44 44 VAL N N 36 121.695 118.983 2.712 1
1 549 . 17 1 1 A 45 45 CYS H H 37 8.133 7.792 0.341 1
1 550 . 17 1 1 A 45 45 CYS HA H 37 4.425 4.247 0.178 1
1 553 . 17 1 1 A 45 45 CYS C C 37 175.083 177.334 -2.251 1
1 554 . 17 1 1 A 45 45 CYS CA C 37 59.202 61.812 -2.610 1
1 555 . 17 1 1 A 45 45 CYS CB C 37 27.101 26.198 0.903 1
1 556 . 17 1 1 A 45 45 CYS N N 37 115.191 118.022 -2.831 1
1 557 . 17 1 1 A 46 46 LYS H H 38 7.844 7.311 0.533 1
1 558 . 17 1 1 A 46 46 LYS HA H 38 4.428 4.012 0.416 1
1 567 . 17 1 1 A 46 46 LYS C C 38 177.049 177.510 -0.461 1
1 568 . 17 1 1 A 46 46 LYS CA C 38 56.787 57.538 -0.751 1
1 569 . 17 1 1 A 46 46 LYS CB C 38 33.119 32.993 0.126 1
1 573 . 17 1 1 A 46 46 LYS N N 38 121.496 117.806 3.690 1
1 574 . 17 1 1 A 47 47 GLY H H 39 7.759 7.889 -0.130 1
1 575 . 17 1 1 A 47 47 GLY HA2 H 39 4.022 4.087 -0.065 1
1 576 . 17 1 1 A 47 47 GLY HA3 H 39 4.542 4.164 0.378 1
1 577 . 17 1 1 A 47 47 GLY C C 39 173.037 173.204 -0.167 1
1 578 . 17 1 1 A 47 47 GLY CA C 39 44.261 44.799 -0.538 1
1 579 . 17 1 1 A 47 47 GLY N N 39 107.270 106.435 0.835 1
1 580 . 17 1 1 A 48 48 SER H H 40 8.478 8.686 -0.208 1
1 581 . 17 1 1 A 48 48 SER HA H 40 3.783 4.728 -0.945 1
1 584 . 17 1 1 A 48 48 SER C C 40 175.221 174.992 0.229 1
1 585 . 17 1 1 A 48 48 SER CA C 40 57.947 57.841 0.106 1
1 586 . 17 1 1 A 48 48 SER CB C 40 63.811 63.785 0.026 1
1 587 . 17 1 1 A 48 48 SER N N 40 116.121 118.093 -1.972 1
1 588 . 17 1 1 A 49 49 LYS H H 41 8.394 8.789 -0.395 1
1 589 . 17 1 1 A 49 49 LYS HA H 41 4.188 4.343 -0.155 1
1 598 . 17 1 1 A 49 49 LYS C C 41 176.470 176.850 -0.380 1
1 599 . 17 1 1 A 49 49 LYS CA C 41 55.331 56.479 -1.148 1
1 600 . 17 1 1 A 49 49 LYS CB C 41 32.293 33.163 -0.870 1
1 604 . 17 1 1 A 49 49 LYS N N 41 120.990 124.431 -3.441 1
1 605 . 17 1 1 A 50 50 GLY H H 42 6.747 7.745 -0.998 1
1 606 . 17 1 1 A 50 50 GLY HA2 H 42 3.531 4.093 -0.562 1
1 607 . 17 1 1 A 50 50 GLY HA3 H 42 3.884 4.107 -0.223 1
1 608 . 17 1 1 A 50 50 GLY C C 42 170.967 172.917 -1.950 1
1 609 . 17 1 1 A 50 50 GLY CA C 42 45.060 44.592 0.468 1
1 610 . 17 1 1 A 50 50 GLY N N 42 106.048 107.861 -1.813 1
1 611 . 17 1 1 A 51 51 SER H H 43 8.158 8.958 -0.800 1
1 612 . 17 1 1 A 51 51 SER HA H 43 5.343 5.113 0.230 1
1 615 . 17 1 1 A 51 51 SER C C 43 172.787 172.232 0.555 1
1 616 . 17 1 1 A 51 51 SER CA C 43 57.639 57.509 0.130 1
1 617 . 17 1 1 A 51 51 SER CB C 43 65.897 67.594 -1.697 1
1 618 . 17 1 1 A 51 51 SER N N 43 113.080 118.953 -5.873 1
1 619 . 17 1 1 A 52 52 ILE H H 44 9.306 9.158 0.148 1
1 620 . 17 1 1 A 52 52 ILE HA H 44 4.203 4.719 -0.516 1
1 630 . 17 1 1 A 52 52 ILE C C 44 174.340 174.757 -0.417 1
1 631 . 17 1 1 A 52 52 ILE CA C 44 60.326 60.433 -0.107 1
1 632 . 17 1 1 A 52 52 ILE CB C 44 42.302 39.207 3.095 1
1 636 . 17 1 1 A 52 52 ILE N N 44 123.385 121.137 2.248 1
1 637 . 17 1 1 A 53 53 LYS H H 45 8.495 8.731 -0.236 1
1 638 . 17 1 1 A 53 53 LYS HA H 45 4.444 4.592 -0.148 1
1 647 . 17 1 1 A 53 53 LYS C C 45 176.283 176.414 -0.131 1
1 648 . 17 1 1 A 53 53 LYS CA C 45 56.255 56.235 0.020 1
1 649 . 17 1 1 A 53 53 LYS CB C 45 32.258 32.396 -0.138 1
1 653 . 17 1 1 A 53 53 LYS N N 45 127.498 128.935 -1.437 1
1 654 . 17 1 1 A 54 54 MET H H 46 8.190 8.436 -0.246 1
1 655 . 17 1 1 A 54 54 MET HA H 46 4.585 4.173 0.412 1
1 663 . 17 1 1 A 54 54 MET C C 46 178.779 178.145 0.634 1
1 664 . 17 1 1 A 54 54 MET CA C 46 55.549 58.602 -3.053 1
1 665 . 17 1 1 A 54 54 MET CB C 46 29.465 31.720 -2.255 1
1 668 . 17 1 1 A 54 54 MET N N 46 123.817 124.995 -1.178 1
1 669 . 17 1 1 A 55 55 ALA H H 47 8.860 7.903 0.957 1
1 670 . 17 1 1 A 55 55 ALA HA H 47 4.142 4.159 -0.017 1
1 674 . 17 1 1 A 55 55 ALA C C 47 178.752 177.877 0.875 1
1 675 . 17 1 1 A 55 55 ALA CA C 47 55.004 54.273 0.731 1
1 676 . 17 1 1 A 55 55 ALA CB C 47 19.312 18.411 0.901 1
1 677 . 17 1 1 A 55 55 ALA N N 47 119.194 121.098 -1.904 1
1 678 . 17 1 1 A 56 56 VAL H H 48 7.127 8.103 -0.976 1
1 679 . 17 1 1 A 56 56 VAL HA H 48 4.592 4.368 0.224 1
1 687 . 17 1 1 A 56 56 VAL C C 48 174.965 175.684 -0.719 1
1 688 . 17 1 1 A 56 56 VAL CA C 48 60.038 61.510 -1.472 1
1 689 . 17 1 1 A 56 56 VAL CB C 48 31.878 33.534 -1.656 1
1 692 . 17 1 1 A 56 56 VAL N N 48 105.989 116.497 -10.508 1
1 693 . 17 1 1 A 57 57 CYS H H 49 7.414 7.577 -0.163 1
1 694 . 17 1 1 A 57 57 CYS HA H 49 4.897 5.150 -0.253 1
1 697 . 17 1 1 A 57 57 CYS C C 49 173.836 173.115 0.721 1
1 698 . 17 1 1 A 57 57 CYS CA C 49 58.123 57.223 0.900 1
1 699 . 17 1 1 A 57 57 CYS CB C 49 30.078 30.898 -0.820 1
1 700 . 17 1 1 A 57 57 CYS N N 49 119.973 121.124 -1.151 1
1 701 . 17 1 1 A 58 58 GLU H H 50 8.852 8.944 -0.092 1
1 702 . 17 1 1 A 58 58 GLU HA H 50 4.674 4.736 -0.062 1
1 707 . 17 1 1 A 58 58 GLU C C 50 175.085 175.125 -0.040 1
1 708 . 17 1 1 A 58 58 GLU CA C 50 54.809 56.146 -1.337 1
1 709 . 17 1 1 A 58 58 GLU CB C 50 31.856 31.050 0.806 1
1 711 . 17 1 1 A 58 58 GLU N N 50 124.719 125.597 -0.878 1
1 712 . 17 1 1 A 59 59 ILE H H 51 8.731 8.827 -0.096 1
1 713 . 17 1 1 A 59 59 ILE HA H 51 4.625 4.958 -0.333 1
1 723 . 17 1 1 A 59 59 ILE C C 51 175.513 174.286 1.227 1
1 724 . 17 1 1 A 59 59 ILE CA C 51 60.675 60.212 0.463 1
1 725 . 17 1 1 A 59 59 ILE CB C 51 39.717 39.901 -0.184 1
1 729 . 17 1 1 A 59 59 ILE N N 51 124.286 125.076 -0.790 1
1 730 . 17 1 1 A 60 60 LYS H H 52 9.212 9.257 -0.045 1
1 731 . 17 1 1 A 60 60 LYS HA H 52 4.829 4.667 0.162 1
1 740 . 17 1 1 A 60 60 LYS C C 52 175.594 175.393 0.201 1
1 741 . 17 1 1 A 60 60 LYS CA C 52 54.490 56.025 -1.535 1
1 742 . 17 1 1 A 60 60 LYS CB C 52 34.908 32.894 2.014 1
1 746 . 17 1 1 A 60 60 LYS N N 52 128.004 129.101 -1.097 1
1 747 . 17 1 1 A 61 61 VAL H H 53 8.776 8.663 0.113 1
1 748 . 17 1 1 A 61 61 VAL HA H 53 4.087 4.877 -0.790 1
1 756 . 17 1 1 A 61 61 VAL C C 53 175.262 175.360 -0.098 1
1 757 . 17 1 1 A 61 61 VAL CA C 53 62.067 61.078 0.989 1
1 758 . 17 1 1 A 61 61 VAL CB C 53 33.296 34.745 -1.449 1
1 761 . 17 1 1 A 61 61 VAL N N 53 124.000 124.056 -0.056 1
1 762 . 17 1 1 A 62 62 HIS H H 54 7.677 8.586 -0.909 1
1 763 . 17 1 1 A 62 62 HIS HA H 54 4.456 4.726 -0.270 1
1 766 . 17 1 1 A 62 62 HIS C C 54 176.465 174.547 1.918 1
1 767 . 17 1 1 A 62 62 HIS CA C 54 57.986 56.706 1.280 1
1 768 . 17 1 1 A 62 62 HIS CB C 54 32.369 32.376 -0.007 1
1 769 . 17 1 1 A 62 62 HIS N N 54 127.177 126.500 0.677 1
1 770 . 17 1 1 A 63 63 SER H H 55 8.552 8.005 0.547 1
1 771 . 17 1 1 A 63 63 SER HA H 55 4.251 4.607 -0.356 1
1 774 . 17 1 1 A 63 63 SER C C 55 174.509 173.944 0.565 1
1 775 . 17 1 1 A 63 63 SER CA C 55 60.312 56.108 4.204 1
1 776 . 17 1 1 A 63 63 SER CB C 55 63.609 65.037 -1.428 1
1 777 . 17 1 1 A 63 63 SER N N 55 120.508 114.054 6.454 1
1 778 . 17 1 1 A 64 64 ALA H H 56 8.807 8.494 0.313 1
1 779 . 17 1 1 A 64 64 ALA HA H 56 4.553 4.507 0.046 1
1 783 . 17 1 1 A 64 64 ALA C C 56 176.763 176.702 0.061 1
1 784 . 17 1 1 A 64 64 ALA CA C 56 53.183 51.356 1.827 1
1 785 . 17 1 1 A 64 64 ALA CB C 56 20.619 17.987 2.632 1
1 786 . 17 1 1 A 64 64 ALA N N 56 124.728 127.625 -2.897 1
1 787 . 17 1 1 A 65 65 ASP H H 57 8.762 7.737 1.025 1
1 788 . 17 1 1 A 65 65 ASP HA H 57 4.689 4.733 -0.044 1
1 791 . 17 1 1 A 65 65 ASP C C 57 176.322 175.922 0.400 1
1 792 . 17 1 1 A 65 65 ASP CA C 57 52.911 53.852 -0.941 1
1 793 . 17 1 1 A 65 65 ASP CB C 57 41.216 42.041 -0.825 1
1 794 . 17 1 1 A 65 65 ASP N N 57 120.574 119.615 0.959 1
1 795 . 17 1 1 A 66 66 ASN H H 58 8.457 8.620 -0.163 1
1 796 . 17 1 1 A 66 66 ASN HA H 58 4.580 4.715 -0.135 1
1 801 . 17 1 1 A 66 66 ASN C C 58 174.296 175.742 -1.446 1
1 802 . 17 1 1 A 66 66 ASN CA C 58 54.146 53.331 0.815 1
1 803 . 17 1 1 A 66 66 ASN CB C 58 37.538 38.836 -1.298 1
1 804 . 17 1 1 A 66 66 ASN N N 58 122.233 119.485 2.748 1
1 806 . 17 1 1 A 67 67 THR H H 59 8.411 8.626 -0.215 1
1 807 . 17 1 1 A 67 67 THR HA H 59 4.284 4.042 0.242 1
1 812 . 17 1 1 A 67 67 THR C C 59 175.932 174.189 1.743 1
1 813 . 17 1 1 A 67 67 THR CA C 59 62.159 62.846 -0.687 1
1 814 . 17 1 1 A 67 67 THR CB C 59 70.025 66.403 3.622 1
1 816 . 17 1 1 A 67 67 THR N N 59 104.777 118.613 -13.836 1
1 817 . 17 1 1 A 68 68 ARG H H 60 7.589 7.658 -0.069 1
1 818 . 17 1 1 A 68 68 ARG HA H 60 5.044 5.076 -0.032 1
1 825 . 17 1 1 A 68 68 ARG C C 60 176.482 174.314 2.168 1
1 826 . 17 1 1 A 68 68 ARG CA C 60 56.516 54.795 1.721 1
1 827 . 17 1 1 A 68 68 ARG CB C 60 34.348 31.832 2.516 1
1 830 . 17 1 1 A 68 68 ARG N N 60 122.336 119.959 2.377 1
1 831 . 17 1 1 A 69 69 MET H H 61 9.018 8.219 0.799 1
1 832 . 17 1 1 A 69 69 MET HA H 61 4.997 5.121 -0.124 1
1 840 . 17 1 1 A 69 69 MET C C 61 172.463 174.522 -2.059 1
1 841 . 17 1 1 A 69 69 MET CA C 61 55.330 53.925 1.405 1
1 842 . 17 1 1 A 69 69 MET CB C 61 37.234 37.650 -0.416 1
1 845 . 17 1 1 A 69 69 MET N N 61 119.640 123.634 -3.994 1
1 846 . 17 1 1 A 70 70 GLU H H 62 8.996 8.703 0.293 1
1 847 . 17 1 1 A 70 70 GLU HA H 62 5.365 4.890 0.475 1
1 852 . 17 1 1 A 70 70 GLU C C 62 173.523 174.459 -0.936 1
1 853 . 17 1 1 A 70 70 GLU CA C 62 54.326 54.813 -0.487 1
1 854 . 17 1 1 A 70 70 GLU CB C 62 33.915 33.412 0.503 1
1 856 . 17 1 1 A 70 70 GLU N N 62 122.200 122.776 -0.576 1
1 857 . 17 1 1 A 71 71 LEU H H 63 8.763 9.516 -0.753 1
1 858 . 17 1 1 A 71 71 LEU HA H 63 5.222 5.369 -0.147 1
1 868 . 17 1 1 A 71 71 LEU C C 63 175.719 174.890 0.829 1
1 869 . 17 1 1 A 71 71 LEU CA C 63 53.222 53.620 -0.398 1
1 870 . 17 1 1 A 71 71 LEU CB C 63 43.781 42.993 0.788 1
1 874 . 17 1 1 A 71 71 LEU N N 63 123.741 127.086 -3.345 1
1 875 . 17 1 1 A 72 72 ILE H H 64 9.006 9.382 -0.376 1
1 876 . 17 1 1 A 72 72 ILE HA H 64 4.316 5.081 -0.765 1
1 886 . 17 1 1 A 72 72 ILE C C 64 175.349 173.594 1.755 1
1 887 . 17 1 1 A 72 72 ILE CA C 64 60.921 60.201 0.720 1
1 888 . 17 1 1 A 72 72 ILE CB C 64 39.919 40.789 -0.870 1
1 892 . 17 1 1 A 72 72 ILE N N 64 123.633 126.633 -3.000 1
1 893 . 17 1 1 A 73 73 ILE H H 65 8.601 9.032 -0.431 1
1 894 . 17 1 1 A 73 73 ILE HA H 65 4.854 4.759 0.095 1
1 904 . 17 1 1 A 73 73 ILE CA C 65 58.440 57.378 1.062 1
1 905 . 17 1 1 A 73 73 ILE CB C 65 39.820 41.450 -1.630 1
1 909 . 17 1 1 A 73 73 ILE N N 65 128.410 129.626 -1.216 1
1 910 . 17 1 1 A 74 74 PRO HA H 66 4.265 4.289 -0.024 1
1 917 . 17 1 1 A 74 74 PRO C C 66 177.170 177.443 -0.273 1
1 918 . 17 1 1 A 74 74 PRO CA C 66 64.500 63.873 0.627 1
1 919 . 17 1 1 A 74 74 PRO CB C 66 31.826 31.371 0.455 1
1 922 . 17 1 1 A 75 75 GLY H H 67 8.704 8.751 -0.047 1
1 923 . 17 1 1 A 75 75 GLY HA2 H 67 3.753 3.974 -0.221 1
1 924 . 17 1 1 A 75 75 GLY HA3 H 67 4.251 3.989 0.262 1
1 925 . 17 1 1 A 75 75 GLY C C 67 174.192 175.373 -1.181 1
1 926 . 17 1 1 A 75 75 GLY CA C 67 45.479 45.709 -0.230 1
1 927 . 17 1 1 A 75 75 GLY N N 67 111.825 112.601 -0.776 1
1 928 . 17 1 1 A 76 76 GLU H H 68 8.258 8.281 -0.023 1
1 929 . 17 1 1 A 76 76 GLU HA H 68 4.483 4.393 0.090 1
1 934 . 17 1 1 A 76 76 GLU C C 68 175.838 177.191 -1.353 1
1 935 . 17 1 1 A 76 76 GLU CA C 68 56.178 58.289 -2.111 1
1 936 . 17 1 1 A 76 76 GLU CB C 68 31.066 30.617 0.449 1
1 938 . 17 1 1 A 76 76 GLU N N 68 118.446 119.955 -1.509 1
1 939 . 17 1 1 A 77 77 GLN H H 69 8.102 8.317 -0.215 1
1 940 . 17 1 1 A 77 77 GLN HA H 69 4.556 4.454 0.102 1
1 947 . 17 1 1 A 77 77 GLN C C 69 175.179 175.220 -0.041 1
1 948 . 17 1 1 A 77 77 GLN CA C 69 55.633 56.443 -0.810 1
1 949 . 17 1 1 A 77 77 GLN CB C 69 31.116 28.816 2.300 1
1 951 . 17 1 1 A 77 77 GLN N N 69 117.826 118.993 -1.167 1
1 953 . 17 1 1 A 78 78 HIS H H 70 8.857 8.891 -0.034 1
1 954 . 17 1 1 A 78 78 HIS HA H 70 4.923 4.143 0.780 1
1 957 . 17 1 1 A 78 78 HIS C C 70 173.113 173.597 -0.484 1
1 958 . 17 1 1 A 78 78 HIS CA C 70 54.623 56.724 -2.101 1
1 959 . 17 1 1 A 78 78 HIS CB C 70 30.231 28.082 2.149 1
1 960 . 17 1 1 A 78 78 HIS N N 70 120.752 118.867 1.885 1
1 961 . 17 1 1 A 79 79 PHE H H 71 9.120 7.338 1.782 1
1 962 . 17 1 1 A 79 79 PHE HA H 71 4.797 4.774 0.023 1
1 967 . 17 1 1 A 79 79 PHE C C 71 174.341 174.148 0.193 1
1 968 . 17 1 1 A 79 79 PHE CA C 71 56.191 56.545 -0.354 1
1 969 . 17 1 1 A 79 79 PHE CB C 71 40.983 39.580 1.403 1
1 970 . 17 1 1 A 79 79 PHE N N 71 124.577 118.971 5.606 1
1 971 . 17 1 1 A 80 80 TYR H H 72 8.883 9.173 -0.290 1
1 972 . 17 1 1 A 80 80 TYR HA H 72 5.142 5.186 -0.044 1
1 979 . 17 1 1 A 80 80 TYR C C 72 175.115 174.261 0.854 1
1 980 . 17 1 1 A 80 80 TYR CA C 72 57.353 57.010 0.343 1
1 981 . 17 1 1 A 80 80 TYR CB C 72 39.753 41.564 -1.811 1
1 986 . 17 1 1 A 80 80 TYR N N 72 124.010 125.581 -1.571 1
1 987 . 17 1 1 A 81 81 MET H H 73 8.824 8.889 -0.065 1
1 988 . 17 1 1 A 81 81 MET HA H 73 5.983 5.147 0.836 1
1 996 . 17 1 1 A 81 81 MET C C 73 175.053 174.563 0.490 1
1 997 . 17 1 1 A 81 81 MET CA C 73 54.453 54.215 0.238 1
1 998 . 17 1 1 A 81 81 MET CB C 73 38.584 35.283 3.301 1
1 1001 . 17 1 1 A 81 81 MET N N 73 120.151 127.356 -7.205 1
1 1002 . 17 1 1 A 82 82 LYS H H 74 9.103 8.776 0.327 1
1 1003 . 17 1 1 A 82 82 LYS HA H 74 4.800 4.719 0.081 1
1 1012 . 17 1 1 A 82 82 LYS C C 74 174.244 175.450 -1.206 1
1 1013 . 17 1 1 A 82 82 LYS CA C 74 55.314 55.396 -0.082 1
1 1014 . 17 1 1 A 82 82 LYS CB C 74 36.251 36.145 0.106 1
1 1018 . 17 1 1 A 82 82 LYS N N 74 121.097 124.521 -3.424 1
1 1019 . 17 1 1 A 83 83 ALA H H 75 8.740 8.674 0.066 1
1 1020 . 17 1 1 A 83 83 ALA HA H 75 4.786 4.596 0.190 1
1 1024 . 17 1 1 A 83 83 ALA C C 75 177.126 178.530 -1.404 1
1 1025 . 17 1 1 A 83 83 ALA CA C 75 49.893 51.190 -1.297 1
1 1026 . 17 1 1 A 83 83 ALA CB C 75 21.311 19.900 1.411 1
1 1027 . 17 1 1 A 83 83 ALA N N 75 126.624 128.224 -1.600 1
1 1028 . 17 1 1 A 84 84 VAL H H 76 9.105 8.645 0.460 1
1 1029 . 17 1 1 A 84 84 VAL HA H 76 3.835 3.907 -0.072 1
1 1037 . 17 1 1 A 84 84 VAL C C 76 175.635 176.112 -0.477 1
1 1038 . 17 1 1 A 84 84 VAL CA C 76 64.888 65.251 -0.363 1
1 1039 . 17 1 1 A 84 84 VAL CB C 76 32.097 32.119 -0.022 1
1 1042 . 17 1 1 A 84 84 VAL N N 76 115.195 118.843 -3.648 1
1 1043 . 17 1 1 A 85 85 ASN H H 77 7.278 7.995 -0.717 1
1 1044 . 17 1 1 A 85 85 ASN HA H 77 4.476 5.038 -0.562 1
1 1049 . 17 1 1 A 85 85 ASN C C 77 174.796 175.313 -0.517 1
1 1050 . 17 1 1 A 85 85 ASN CA C 77 52.193 51.452 0.741 1
1 1051 . 17 1 1 A 85 85 ASN CB C 77 39.702 40.631 -0.929 1
1 1052 . 17 1 1 A 85 85 ASN N N 77 109.430 115.445 -6.015 1
1 1054 . 17 1 1 A 86 86 ALA H H 78 8.681 8.836 -0.155 1
1 1055 . 17 1 1 A 86 86 ALA HA H 78 4.195 4.039 0.156 1
1 1059 . 17 1 1 A 86 86 ALA C C 78 180.157 179.939 0.218 1
1 1060 . 17 1 1 A 86 86 ALA CA C 78 54.919 55.461 -0.542 1
1 1061 . 17 1 1 A 86 86 ALA CB C 78 18.721 18.277 0.444 1
1 1062 . 17 1 1 A 86 86 ALA N N 78 121.886 121.876 0.010 1
1 1063 . 17 1 1 A 87 87 ALA H H 79 8.386 8.144 0.242 1
1 1064 . 17 1 1 A 87 87 ALA HA H 79 4.200 4.044 0.156 1
1 1068 . 17 1 1 A 87 87 ALA C C 79 181.167 179.992 1.175 1
1 1069 . 17 1 1 A 87 87 ALA CA C 79 55.195 55.238 -0.043 1
1 1070 . 17 1 1 A 87 87 ALA CB C 79 17.663 18.129 -0.466 1
1 1071 . 17 1 1 A 87 87 ALA N N 79 123.939 119.924 4.015 1
1 1072 . 17 1 1 A 88 88 GLU H H 80 8.743 8.161 0.582 1
1 1073 . 17 1 1 A 88 88 GLU HA H 80 4.260 4.068 0.192 1
1 1078 . 17 1 1 A 88 88 GLU C C 80 178.848 179.386 -0.538 1
1 1079 . 17 1 1 A 88 88 GLU CA C 80 59.191 59.521 -0.330 1
1 1080 . 17 1 1 A 88 88 GLU CB C 80 29.898 29.311 0.587 1
1 1082 . 17 1 1 A 88 88 GLU N N 80 119.694 117.993 1.701 1
1 1083 . 17 1 1 A 89 89 ARG H H 81 7.936 8.261 -0.325 1
1 1084 . 17 1 1 A 89 89 ARG HA H 81 3.780 4.067 -0.287 1
1 1087 . 17 1 1 A 89 89 ARG C C 81 177.596 178.753 -1.157 1
1 1088 . 17 1 1 A 89 89 ARG CA C 81 61.042 59.364 1.678 1
1 1089 . 17 1 1 A 89 89 ARG CB C 81 29.630 29.895 -0.265 1
1 1090 . 17 1 1 A 89 89 ARG N N 81 119.080 120.825 -1.745 1
1 1091 . 17 1 1 A 90 90 GLN H H 82 8.063 7.933 0.130 1
1 1092 . 17 1 1 A 90 90 GLN HA H 82 4.039 4.059 -0.020 1
1 1099 . 17 1 1 A 90 90 GLN C C 82 177.419 178.320 -0.901 1
1 1100 . 17 1 1 A 90 90 GLN CA C 82 59.069 59.047 0.022 1
1 1101 . 17 1 1 A 90 90 GLN CB C 82 27.786 28.344 -0.558 1
1 1103 . 17 1 1 A 90 90 GLN N N 82 118.390 118.548 -0.158 1
1 1105 . 17 1 1 A 91 91 ARG H H 83 7.700 7.760 -0.060 1
1 1106 . 17 1 1 A 91 91 ARG HA H 83 3.961 3.966 -0.005 1
1 1114 . 17 1 1 A 91 91 ARG C C 83 180.016 178.979 1.037 1
1 1115 . 17 1 1 A 91 91 ARG CA C 83 59.750 59.557 0.193 1
1 1116 . 17 1 1 A 91 91 ARG CB C 83 30.401 29.908 0.493 1
1 1119 . 17 1 1 A 91 91 ARG N N 83 117.912 118.746 -0.834 1
1 1121 . 17 1 1 A 92 92 TRP H H 84 7.895 8.015 -0.120 1
1 1122 . 17 1 1 A 92 92 TRP HA H 84 4.115 4.491 -0.376 1
1 1130 . 17 1 1 A 92 92 TRP C C 84 178.111 179.201 -1.090 1
1 1131 . 17 1 1 A 92 92 TRP CA C 84 61.633 59.874 1.759 1
1 1132 . 17 1 1 A 92 92 TRP CB C 84 29.032 29.353 -0.321 1
1 1137 . 17 1 1 A 92 92 TRP N N 84 119.237 121.027 -1.790 1
1 1139 . 17 1 1 A 93 93 LEU H H 85 8.988 8.568 0.420 1
1 1140 . 17 1 1 A 93 93 LEU HA H 85 3.978 3.994 -0.016 1
1 1150 . 17 1 1 A 93 93 LEU C C 85 180.925 179.692 1.233 1
1 1151 . 17 1 1 A 93 93 LEU CA C 85 58.716 57.929 0.787 1
1 1152 . 17 1 1 A 93 93 LEU CB C 85 41.506 41.267 0.239 1
1 1156 . 17 1 1 A 93 93 LEU N N 85 119.853 120.277 -0.424 1
1 1157 . 17 1 1 A 94 94 VAL H H 86 8.233 8.259 -0.026 1
1 1158 . 17 1 1 A 94 94 VAL HA H 86 3.695 3.516 0.179 1
1 1166 . 17 1 1 A 94 94 VAL C C 86 178.733 177.820 0.913 1
1 1167 . 17 1 1 A 94 94 VAL CA C 86 66.250 66.654 -0.404 1
1 1168 . 17 1 1 A 94 94 VAL CB C 86 31.886 31.512 0.374 1
1 1171 . 17 1 1 A 94 94 VAL N N 86 120.164 119.834 0.330 1
1 1172 . 17 1 1 A 95 95 ALA H H 87 7.345 7.712 -0.367 1
1 1173 . 17 1 1 A 95 95 ALA HA H 87 4.113 4.025 0.088 1
1 1177 . 17 1 1 A 95 95 ALA C C 87 180.055 180.465 -0.410 1
1 1178 . 17 1 1 A 95 95 ALA CA C 87 55.410 55.377 0.033 1
1 1179 . 17 1 1 A 95 95 ALA CB C 87 18.816 18.503 0.313 1
1 1180 . 17 1 1 A 95 95 ALA N N 87 123.818 121.669 2.149 1
1 1181 . 17 1 1 A 96 96 LEU H H 88 9.342 8.695 0.647 1
1 1182 . 17 1 1 A 96 96 LEU HA H 88 4.003 4.016 -0.013 1
1 1192 . 17 1 1 A 96 96 LEU C C 88 179.349 179.347 0.002 1
1 1193 . 17 1 1 A 96 96 LEU CA C 88 57.786 58.313 -0.527 1
1 1194 . 17 1 1 A 96 96 LEU CB C 88 41.848 41.886 -0.038 1
1 1198 . 17 1 1 A 96 96 LEU N N 88 117.857 118.384 -0.527 1
1 1199 . 17 1 1 A 97 97 GLY H H 89 8.252 8.367 -0.115 1
1 1200 . 17 1 1 A 97 97 GLY HA2 H 89 3.819 3.852 -0.033 1
1 1201 . 17 1 1 A 97 97 GLY HA3 H 89 3.948 3.854 0.094 1
1 1202 . 17 1 1 A 97 97 GLY C C 89 176.463 176.337 0.126 1
1 1203 . 17 1 1 A 97 97 GLY CA C 89 46.620 47.424 -0.804 1
1 1204 . 17 1 1 A 97 97 GLY N N 89 105.618 105.821 -0.203 1
1 1205 . 17 1 1 A 98 98 SER H H 90 8.068 8.170 -0.102 1
1 1206 . 17 1 1 A 98 98 SER HA H 90 4.377 4.151 0.226 1
1 1209 . 17 1 1 A 98 98 SER C C 90 176.144 176.671 -0.527 1
1 1210 . 17 1 1 A 98 98 SER CA C 90 60.842 61.419 -0.577 1
1 1211 . 17 1 1 A 98 98 SER CB C 90 63.116 62.571 0.545 1
1 1212 . 17 1 1 A 98 98 SER N N 90 117.602 116.450 1.152 1
1 1213 . 17 1 1 A 99 99 SER H H 91 8.036 7.752 0.284 1
1 1214 . 17 1 1 A 99 99 SER HA H 91 4.324 4.181 0.143 1
1 1217 . 17 1 1 A 99 99 SER C C 91 175.818 177.069 -1.251 1
1 1218 . 17 1 1 A 99 99 SER CA C 91 60.720 61.231 -0.511 1
1 1219 . 17 1 1 A 99 99 SER CB C 91 63.831 63.008 0.823 1
1 1220 . 17 1 1 A 99 99 SER N N 91 116.877 117.799 -0.922 1
1 1221 . 17 1 1 A 100 100 LYS H H 92 7.838 7.415 0.423 1
1 1222 . 17 1 1 A 100 100 LYS HA H 92 4.068 4.051 0.017 1
1 1231 . 17 1 1 A 100 100 LYS C C 92 177.235 177.601 -0.366 1
1 1232 . 17 1 1 A 100 100 LYS CA C 92 58.121 58.598 -0.477 1
1 1233 . 17 1 1 A 100 100 LYS CB C 92 32.263 32.048 0.215 1
1 1237 . 17 1 1 A 100 100 LYS N N 92 119.456 121.849 -2.393 1
1 1238 . 17 1 1 A 101 101 ALA H H 93 7.924 7.295 0.629 1
1 1239 . 17 1 1 A 101 101 ALA HA H 93 4.321 4.396 -0.075 1
1 1243 . 17 1 1 A 101 101 ALA C C 93 178.323 177.642 0.681 1
1 1244 . 17 1 1 A 101 101 ALA CA C 93 53.435 51.845 1.590 1
1 1245 . 17 1 1 A 101 101 ALA CB C 93 18.969 17.829 1.140 1
1 1246 . 17 1 1 A 101 101 ALA N N 93 122.054 120.052 2.002 1
1 1247 . 17 1 1 A 102 102 SER H H 94 8.061 8.445 -0.384 1
1 1248 . 17 1 1 A 102 102 SER HA H 94 4.451 4.051 0.400 1
1 1251 . 17 1 1 A 102 102 SER C C 94 174.773 173.630 1.143 1
1 1252 . 17 1 1 A 102 102 SER CA C 94 59.086 59.087 -0.001 1
1 1253 . 17 1 1 A 102 102 SER CB C 94 63.766 61.651 2.115 1
1 1254 . 17 1 1 A 102 102 SER N N 94 114.102 117.803 -3.701 1
1 1255 . 17 1 1 A 103 103 LEU H H 95 8.053 7.914 0.139 1
1 1256 . 17 1 1 A 103 103 LEU HA H 95 4.507 4.691 -0.184 1
1 1266 . 17 1 1 A 103 103 LEU C C 95 177.589 175.610 1.979 1
1 1267 . 17 1 1 A 103 103 LEU CA C 95 55.398 52.319 3.079 1
1 1268 . 17 1 1 A 103 103 LEU CB C 95 42.435 44.612 -2.177 1
1 1272 . 17 1 1 A 103 103 LEU N N 95 123.264 123.635 -0.371 1
1 1273 . 17 1 1 A 104 104 THR H H 96 8.045 8.641 -0.596 1
1 1274 . 17 1 1 A 104 104 THR HA H 96 4.383 4.397 -0.014 1
1 1279 . 17 1 1 A 104 104 THR C C 96 174.128 173.842 0.286 1
1 1280 . 17 1 1 A 104 104 THR CA C 96 61.982 61.537 0.445 1
1 1281 . 17 1 1 A 104 104 THR CB C 96 69.938 70.812 -0.874 1
1 1283 . 17 1 1 A 104 104 THR N N 96 113.833 115.126 -1.293 1
1 1284 . 17 1 1 A 105 105 ASP H H 97 8.346 8.643 -0.297 1
1 1285 . 17 1 1 A 105 105 ASP HA H 97 4.740 4.613 0.127 1
1 1288 . 17 1 1 A 105 105 ASP C C 97 176.310 177.022 -0.712 1
1 1289 . 17 1 1 A 105 105 ASP CA C 97 54.300 54.067 0.233 1
1 1290 . 17 1 1 A 105 105 ASP CB C 97 41.174 41.879 -0.705 1
1 1291 . 17 1 1 A 105 105 ASP N N 97 123.107 121.097 2.010 1
1 1292 . 17 1 1 A 106 106 THR H H 98 8.147 8.817 -0.670 1
1 1293 . 17 1 1 A 106 106 THR HA H 98 4.355 4.066 0.289 1
1 1298 . 17 1 1 A 106 106 THR C C 98 174.523 173.772 0.751 1
1 1299 . 17 1 1 A 106 106 THR CA C 98 61.937 63.023 -1.086 1
1 1300 . 17 1 1 A 106 106 THR CB C 98 69.656 66.619 3.037 1
1 1302 . 17 1 1 A 106 106 THR N N 98 114.857 116.450 -1.593 1
1 1303 . 17 1 1 A 107 107 ARG H H 99 8.385 8.072 0.313 1
1 1304 . 17 1 1 A 107 107 ARG HA H 99 4.442 4.541 -0.099 1
1 1312 . 17 1 1 A 107 107 ARG C C 99 175.764 176.318 -0.554 1
1 1313 . 17 1 1 A 107 107 ARG CA C 99 56.311 55.498 0.813 1
1 1314 . 17 1 1 A 107 107 ARG CB C 99 30.745 31.504 -0.759 1
1 1317 . 17 1 1 A 107 107 ARG N N 99 123.999 121.564 2.435 1
1 1 . 18 1 1 A 2 2 PRO HA H -6 4.460 4.708 -0.248 1
1 8 . 18 1 1 A 2 2 PRO C C -6 176.875 175.279 1.596 1
1 9 . 18 1 1 A 2 2 PRO CA C -6 63.159 62.739 0.420 1
1 10 . 18 1 1 A 2 2 PRO CB C -6 32.292 31.178 1.114 1
1 13 . 18 1 1 A 3 3 LEU H H -5 8.483 8.703 -0.220 1
1 14 . 18 1 1 A 3 3 LEU HA H -5 4.334 4.721 -0.387 1
1 24 . 18 1 1 A 3 3 LEU C C -5 177.797 176.773 1.024 1
1 25 . 18 1 1 A 3 3 LEU CA C -5 55.474 53.575 1.899 1
1 26 . 18 1 1 A 3 3 LEU CB C -5 42.239 44.104 -1.865 1
1 30 . 18 1 1 A 3 3 LEU N N -5 122.315 124.389 -2.074 1
1 31 . 18 1 1 A 4 4 GLY H H -4 8.393 8.952 -0.559 1
1 32 . 18 1 1 A 4 4 GLY HA2 H -4 3.978 3.991 -0.013 1
1 33 . 18 1 1 A 4 4 GLY HA3 H -4 3.978 3.991 -0.013 1
1 34 . 18 1 1 A 4 4 GLY C C -4 173.730 174.320 -0.590 1
1 35 . 18 1 1 A 4 4 GLY CA C -4 45.158 45.775 -0.617 1
1 36 . 18 1 1 A 4 4 GLY N N -4 109.911 116.150 -6.239 1
1 37 . 18 1 1 A 5 5 SER H H -3 8.162 8.113 0.049 1
1 38 . 18 1 1 A 5 5 SER HA H -3 4.764 4.564 0.200 1
1 41 . 18 1 1 A 5 5 SER CA C -3 56.323 57.600 -1.277 1
1 42 . 18 1 1 A 5 5 SER CB C -3 63.515 63.532 -0.017 1
1 43 . 18 1 1 A 5 5 SER N N -3 116.873 117.326 -0.453 1
1 44 . 18 1 1 A 6 6 PRO HA H -2 4.399 4.632 -0.233 1
1 47 . 18 1 1 A 6 6 PRO C C -2 176.587 176.523 0.064 1
1 48 . 18 1 1 A 6 6 PRO CA C -2 63.552 63.449 0.103 1
1 49 . 18 1 1 A 6 6 PRO CB C -2 31.997 32.044 -0.047 1
1 50 . 18 1 1 A 7 7 GLU H H -1 8.364 8.546 -0.182 1
1 51 . 18 1 1 A 7 7 GLU HA H -1 4.285 4.599 -0.314 1
1 56 . 18 1 1 A 7 7 GLU C C -1 174.954 176.077 -1.123 1
1 57 . 18 1 1 A 7 7 GLU CA C -1 56.486 56.021 0.465 1
1 58 . 18 1 1 A 7 7 GLU CB C -1 29.924 30.186 -0.262 1
1 60 . 18 1 1 A 7 7 GLU N N -1 119.665 122.422 -2.757 1
1 61 . 18 1 1 A 8 8 PHE H H 0 7.872 9.075 -1.203 1
1 62 . 18 1 1 A 8 8 PHE HA H 0 5.204 5.776 -0.572 1
1 67 . 18 1 1 A 8 8 PHE C C 0 174.670 173.636 1.034 1
1 68 . 18 1 1 A 8 8 PHE CA C 0 56.861 55.382 1.479 1
1 69 . 18 1 1 A 8 8 PHE CB C 0 41.874 41.889 -0.015 1
1 72 . 18 1 1 A 8 8 PHE N N 0 122.497 123.492 -0.995 1
1 73 . 18 1 1 A 9 9 MET H H 1 7.833 8.591 -0.758 1
1 74 . 18 1 1 A 9 9 MET HA H 1 4.095 4.779 -0.684 1
1 82 . 18 1 1 A 9 9 MET C C 1 171.191 174.283 -3.092 1
1 83 . 18 1 1 A 9 9 MET CA C 1 54.613 54.141 0.472 1
1 84 . 18 1 1 A 9 9 MET CB C 1 34.867 35.317 -0.450 1
1 87 . 18 1 1 A 9 9 MET N N 1 127.163 122.310 4.853 1
1 88 . 18 1 1 A 10 10 GLU H H 2 7.698 8.768 -1.070 1
1 89 . 18 1 1 A 10 10 GLU HA H 2 5.603 5.439 0.164 1
1 94 . 18 1 1 A 10 10 GLU C C 2 174.743 174.539 0.204 1
1 95 . 18 1 1 A 10 10 GLU CA C 2 53.345 54.643 -1.298 1
1 96 . 18 1 1 A 10 10 GLU CB C 2 32.408 33.726 -1.318 1
1 98 . 18 1 1 A 10 10 GLU N N 2 118.654 122.467 -3.813 1
1 99 . 18 1 1 A 11 11 GLY H H 3 7.994 7.547 0.447 1
1 100 . 18 1 1 A 11 11 GLY HA2 H 3 3.115 3.475 -0.360 1
1 101 . 18 1 1 A 11 11 GLY HA3 H 3 4.377 4.175 0.202 1
1 102 . 18 1 1 A 11 11 GLY C C 3 170.878 171.812 -0.934 1
1 103 . 18 1 1 A 11 11 GLY CA C 3 45.086 45.200 -0.114 1
1 104 . 18 1 1 A 11 11 GLY N N 3 108.296 106.243 2.053 1
1 105 . 18 1 1 A 12 12 VAL H H 4 8.463 8.615 -0.152 1
1 106 . 18 1 1 A 12 12 VAL HA H 4 4.969 5.607 -0.638 1
1 114 . 18 1 1 A 12 12 VAL C C 4 177.805 174.359 3.446 1
1 115 . 18 1 1 A 12 12 VAL CA C 4 62.373 59.482 2.891 1
1 116 . 18 1 1 A 12 12 VAL CB C 4 33.152 34.361 -1.209 1
1 119 . 18 1 1 A 12 12 VAL N N 4 119.624 115.148 4.476 1
1 120 . 18 1 1 A 13 13 LEU H H 5 8.647 9.020 -0.373 1
1 121 . 18 1 1 A 13 13 LEU HA H 5 4.382 5.287 -0.905 1
1 131 . 18 1 1 A 13 13 LEU C C 5 175.407 176.150 -0.743 1
1 132 . 18 1 1 A 13 13 LEU CA C 5 54.139 53.611 0.528 1
1 133 . 18 1 1 A 13 13 LEU CB C 5 46.374 45.526 0.848 1
1 137 . 18 1 1 A 13 13 LEU N N 5 125.806 123.889 1.917 1
1 138 . 18 1 1 A 14 14 TYR H H 6 9.007 9.325 -0.318 1
1 139 . 18 1 1 A 14 14 TYR HA H 6 5.026 5.411 -0.385 1
1 144 . 18 1 1 A 14 14 TYR C C 6 175.047 175.317 -0.270 1
1 145 . 18 1 1 A 14 14 TYR CA C 6 57.484 58.490 -1.006 1
1 146 . 18 1 1 A 14 14 TYR CB C 6 39.400 37.822 1.578 1
1 147 . 18 1 1 A 14 14 TYR N N 6 118.975 121.489 -2.514 1
1 148 . 18 1 1 A 15 15 LYS H H 7 9.549 8.994 0.555 1
1 149 . 18 1 1 A 15 15 LYS HA H 7 5.467 5.139 0.328 1
1 158 . 18 1 1 A 15 15 LYS C C 7 175.772 176.521 -0.749 1
1 159 . 18 1 1 A 15 15 LYS CA C 7 54.136 55.014 -0.878 1
1 160 . 18 1 1 A 15 15 LYS CB C 7 37.043 34.125 2.918 1
1 164 . 18 1 1 A 15 15 LYS N N 7 123.867 126.420 -2.553 1
1 165 . 18 1 1 A 16 16 TRP H H 8 8.355 9.129 -0.774 1
1 166 . 18 1 1 A 16 16 TRP HA H 8 3.893 4.983 -1.090 1
1 175 . 18 1 1 A 16 16 TRP C C 8 176.038 176.371 -0.333 1
1 176 . 18 1 1 A 16 16 TRP CA C 8 57.880 58.084 -0.204 1
1 177 . 18 1 1 A 16 16 TRP CB C 8 29.347 30.427 -1.080 1
1 183 . 18 1 1 A 16 16 TRP N N 8 129.111 129.350 -0.239 1
1 185 . 18 1 1 A 17 17 THR H H 9 6.754 8.355 -1.601 1
1 186 . 18 1 1 A 17 17 THR HA H 9 4.127 4.448 -0.321 1
1 191 . 18 1 1 A 17 17 THR C C 9 172.153 174.145 -1.992 1
1 192 . 18 1 1 A 17 17 THR CA C 9 61.413 62.121 -0.708 1
1 193 . 18 1 1 A 17 17 THR CB C 9 69.317 69.280 0.037 1
1 195 . 18 1 1 A 17 17 THR N N 9 121.030 118.743 2.287 1
1 196 . 18 1 1 A 18 18 ASN H H 10 7.418 7.169 0.249 1
1 197 . 18 1 1 A 18 18 ASN HA H 10 4.051 5.135 -1.084 1
1 202 . 18 1 1 A 18 18 ASN C C 10 174.308 175.324 -1.016 1
1 203 . 18 1 1 A 18 18 ASN CA C 10 52.089 51.437 0.652 1
1 204 . 18 1 1 A 18 18 ASN CB C 10 39.339 42.150 -2.811 1
1 205 . 18 1 1 A 18 18 ASN N N 10 115.655 116.901 -1.246 1
1 207 . 18 1 1 A 19 19 TYR H H 11 8.348 9.151 -0.803 1
1 208 . 18 1 1 A 19 19 TYR HA H 11 4.284 4.218 0.066 1
1 215 . 18 1 1 A 19 19 TYR C C 11 175.974 177.236 -1.262 1
1 216 . 18 1 1 A 19 19 TYR CA C 11 60.774 60.265 0.509 1
1 217 . 18 1 1 A 19 19 TYR CB C 11 37.815 37.910 -0.095 1
1 222 . 18 1 1 A 19 19 TYR N N 11 115.508 120.873 -5.365 1
1 223 . 18 1 1 A 20 20 LEU H H 12 7.827 7.506 0.321 1
1 224 . 18 1 1 A 20 20 LEU HA H 12 4.091 3.862 0.229 1
1 234 . 18 1 1 A 20 20 LEU C C 12 178.711 178.646 0.065 1
1 235 . 18 1 1 A 20 20 LEU CA C 12 56.966 57.538 -0.572 1
1 236 . 18 1 1 A 20 20 LEU CB C 12 41.922 41.742 0.180 1
1 240 . 18 1 1 A 20 20 LEU N N 12 120.867 122.104 -1.237 1
1 241 . 18 1 1 A 21 21 THR H H 13 7.651 7.705 -0.054 1
1 242 . 18 1 1 A 21 21 THR HA H 13 4.162 4.274 -0.112 1
1 247 . 18 1 1 A 21 21 THR C C 13 175.842 175.289 0.553 1
1 248 . 18 1 1 A 21 21 THR CA C 13 62.159 62.342 -0.183 1
1 249 . 18 1 1 A 21 21 THR CB C 13 69.191 70.368 -1.177 1
1 251 . 18 1 1 A 21 21 THR N N 13 108.304 107.058 1.246 1
1 252 . 18 1 1 A 22 22 GLY H H 14 7.679 8.039 -0.360 1
1 253 . 18 1 1 A 22 22 GLY HA2 H 14 2.802 3.473 -0.671 1
1 254 . 18 1 1 A 22 22 GLY HA3 H 14 3.715 3.884 -0.169 1
1 255 . 18 1 1 A 22 22 GLY C C 14 175.108 173.205 1.903 1
1 256 . 18 1 1 A 22 22 GLY CA C 14 46.131 46.786 -0.655 1
1 257 . 18 1 1 A 22 22 GLY N N 14 109.901 110.632 -0.731 1
1 258 . 18 1 1 A 23 23 TRP H H 15 8.817 7.680 1.137 1
1 259 . 18 1 1 A 23 23 TRP HA H 15 4.724 5.594 -0.870 1
1 268 . 18 1 1 A 23 23 TRP C C 15 176.569 174.091 2.478 1
1 269 . 18 1 1 A 23 23 TRP CA C 15 56.897 55.223 1.674 1
1 270 . 18 1 1 A 23 23 TRP CB C 15 29.825 33.320 -3.495 1
1 275 . 18 1 1 A 23 23 TRP N N 15 126.927 121.937 4.990 1
1 277 . 18 1 1 A 24 24 GLN H H 16 8.931 9.038 -0.107 1
1 278 . 18 1 1 A 24 24 GLN HA H 16 5.186 4.281 0.905 1
1 285 . 18 1 1 A 24 24 GLN CA C 16 52.369 51.745 0.624 1
1 286 . 18 1 1 A 24 24 GLN CB C 16 31.536 30.630 0.906 1
1 288 . 18 1 1 A 24 24 GLN N N 16 122.710 119.798 2.912 1
1 290 . 18 1 1 A 25 25 PRO HA H 17 4.206 5.099 -0.893 1
1 297 . 18 1 1 A 25 25 PRO C C 17 176.918 175.595 1.323 1
1 298 . 18 1 1 A 25 25 PRO CA C 17 62.894 62.659 0.235 1
1 299 . 18 1 1 A 25 25 PRO CB C 17 31.444 30.626 0.818 1
1 302 . 18 1 1 A 26 26 ARG H H 18 9.041 8.375 0.666 1
1 303 . 18 1 1 A 26 26 ARG HA H 18 4.857 4.928 -0.071 1
1 310 . 18 1 1 A 26 26 ARG C C 18 173.102 175.247 -2.145 1
1 311 . 18 1 1 A 26 26 ARG CA C 18 53.273 54.815 -1.542 1
1 312 . 18 1 1 A 26 26 ARG CB C 18 34.254 33.438 0.816 1
1 315 . 18 1 1 A 26 26 ARG N N 18 123.602 123.131 0.471 1
1 316 . 18 1 1 A 27 27 TRP H H 19 8.375 8.438 -0.063 1
1 317 . 18 1 1 A 27 27 TRP HA H 19 5.077 5.363 -0.286 1
1 326 . 18 1 1 A 27 27 TRP C C 19 174.728 174.954 -0.226 1
1 327 . 18 1 1 A 27 27 TRP CA C 19 56.157 56.730 -0.573 1
1 328 . 18 1 1 A 27 27 TRP CB C 19 31.116 31.532 -0.416 1
1 334 . 18 1 1 A 27 27 TRP N N 19 121.669 126.998 -5.329 1
1 336 . 18 1 1 A 28 28 PHE H H 20 9.016 9.569 -0.553 1
1 337 . 18 1 1 A 28 28 PHE HA H 20 5.385 5.517 -0.132 1
1 345 . 18 1 1 A 28 28 PHE C C 20 174.685 174.615 0.070 1
1 346 . 18 1 1 A 28 28 PHE CA C 20 56.699 56.701 -0.002 1
1 347 . 18 1 1 A 28 28 PHE CB C 20 43.155 43.208 -0.053 1
1 353 . 18 1 1 A 28 28 PHE N N 20 128.520 126.189 2.331 1
1 354 . 18 1 1 A 29 29 VAL H H 21 9.058 9.434 -0.376 1
1 355 . 18 1 1 A 29 29 VAL HA H 21 4.681 5.346 -0.665 1
1 363 . 18 1 1 A 29 29 VAL C C 21 174.804 174.046 0.758 1
1 364 . 18 1 1 A 29 29 VAL CA C 21 61.719 60.008 1.711 1
1 365 . 18 1 1 A 29 29 VAL CB C 21 36.416 36.111 0.305 1
1 368 . 18 1 1 A 29 29 VAL N N 21 117.562 116.393 1.169 1
1 369 . 18 1 1 A 30 30 LEU H H 22 9.543 9.167 0.376 1
1 370 . 18 1 1 A 30 30 LEU HA H 22 5.311 5.268 0.043 1
1 380 . 18 1 1 A 30 30 LEU C C 22 173.506 175.091 -1.585 1
1 381 . 18 1 1 A 30 30 LEU CA C 22 53.213 54.091 -0.878 1
1 382 . 18 1 1 A 30 30 LEU CB C 22 44.939 44.111 0.828 1
1 386 . 18 1 1 A 30 30 LEU N N 22 131.939 127.456 4.483 1
1 387 . 18 1 1 A 31 31 ASP H H 23 8.513 9.475 -0.962 1
1 388 . 18 1 1 A 31 31 ASP HA H 23 5.151 5.086 0.065 1
1 391 . 18 1 1 A 31 31 ASP C C 23 176.940 175.670 1.270 1
1 392 . 18 1 1 A 31 31 ASP CA C 23 53.671 53.324 0.347 1
1 393 . 18 1 1 A 31 31 ASP CB C 23 43.770 42.979 0.791 1
1 394 . 18 1 1 A 31 31 ASP N N 23 121.978 125.786 -3.808 1
1 395 . 18 1 1 A 32 32 ASN H H 24 9.280 9.472 -0.192 1
1 396 . 18 1 1 A 32 32 ASN HA H 24 4.421 4.397 0.024 1
1 401 . 18 1 1 A 32 32 ASN C C 24 175.044 174.285 0.759 1
1 402 . 18 1 1 A 32 32 ASN CA C 24 54.362 54.127 0.235 1
1 403 . 18 1 1 A 32 32 ASN CB C 24 37.804 37.891 -0.087 1
1 404 . 18 1 1 A 32 32 ASN N N 24 125.653 125.346 0.307 1
1 406 . 18 1 1 A 33 33 GLY H H 25 8.997 8.564 0.433 1
1 407 . 18 1 1 A 33 33 GLY HA2 H 25 3.581 3.811 -0.230 1
1 408 . 18 1 1 A 33 33 GLY HA3 H 25 4.154 3.814 0.340 1
1 409 . 18 1 1 A 33 33 GLY C C 25 173.215 173.672 -0.457 1
1 410 . 18 1 1 A 33 33 GLY CA C 25 45.930 45.446 0.484 1
1 411 . 18 1 1 A 33 33 GLY N N 25 102.623 105.521 -2.898 1
1 412 . 18 1 1 A 34 34 ILE H H 26 7.955 7.965 -0.010 1
1 413 . 18 1 1 A 34 34 ILE HA H 26 4.771 4.378 0.393 1
1 423 . 18 1 1 A 34 34 ILE C C 26 174.753 174.111 0.642 1
1 424 . 18 1 1 A 34 34 ILE CA C 26 59.201 60.516 -1.315 1
1 425 . 18 1 1 A 34 34 ILE CB C 26 39.393 40.414 -1.021 1
1 429 . 18 1 1 A 34 34 ILE N N 26 122.350 123.218 -0.868 1
1 430 . 18 1 1 A 35 35 LEU H H 27 9.274 9.478 -0.204 1
1 431 . 18 1 1 A 35 35 LEU HA H 27 5.441 5.332 0.109 1
1 441 . 18 1 1 A 35 35 LEU C C 27 175.131 174.932 0.199 1
1 442 . 18 1 1 A 35 35 LEU CA C 27 53.160 53.703 -0.543 1
1 443 . 18 1 1 A 35 35 LEU CB C 27 44.532 44.510 0.022 1
1 447 . 18 1 1 A 35 35 LEU N N 27 132.013 130.737 1.276 1
1 448 . 18 1 1 A 36 36 SER H H 28 9.668 9.374 0.294 1
1 449 . 18 1 1 A 36 36 SER HA H 28 5.379 5.109 0.270 1
1 452 . 18 1 1 A 36 36 SER C C 28 171.968 173.516 -1.548 1
1 453 . 18 1 1 A 36 36 SER CA C 28 57.345 57.603 -0.258 1
1 454 . 18 1 1 A 36 36 SER CB C 28 66.044 65.205 0.839 1
1 455 . 18 1 1 A 36 36 SER N N 28 123.682 124.987 -1.305 1
1 456 . 18 1 1 A 37 37 TYR H H 29 7.452 8.238 -0.786 1
1 457 . 18 1 1 A 37 37 TYR HA H 29 5.658 5.696 -0.038 1
1 464 . 18 1 1 A 37 37 TYR C C 29 172.731 174.111 -1.380 1
1 465 . 18 1 1 A 37 37 TYR CA C 29 54.632 55.146 -0.514 1
1 466 . 18 1 1 A 37 37 TYR CB C 29 39.599 41.103 -1.504 1
1 471 . 18 1 1 A 37 37 TYR N N 29 115.554 121.897 -6.343 1
1 472 . 18 1 1 A 38 38 TYR H H 30 9.116 9.425 -0.309 1
1 473 . 18 1 1 A 38 38 TYR HA H 30 4.626 5.004 -0.378 1
1 480 . 18 1 1 A 38 38 TYR C C 30 175.771 175.366 0.405 1
1 481 . 18 1 1 A 38 38 TYR CA C 30 56.194 56.885 -0.691 1
1 482 . 18 1 1 A 38 38 TYR CB C 30 43.253 43.094 0.159 1
1 487 . 18 1 1 A 38 38 TYR N N 30 117.937 119.700 -1.763 1
1 488 . 18 1 1 A 39 39 ASP H H 31 9.474 9.680 -0.206 1
1 489 . 18 1 1 A 39 39 ASP HA H 31 4.624 4.568 0.056 1
1 492 . 18 1 1 A 39 39 ASP C C 31 176.264 175.644 0.620 1
1 493 . 18 1 1 A 39 39 ASP CA C 31 58.144 56.606 1.538 1
1 494 . 18 1 1 A 39 39 ASP CB C 31 40.399 41.645 -1.246 1
1 495 . 18 1 1 A 39 39 ASP N N 31 121.988 122.348 -0.360 1
1 496 . 18 1 1 A 40 40 SER H H 32 7.511 7.669 -0.158 1
1 497 . 18 1 1 A 40 40 SER HA H 32 4.567 4.588 -0.021 1
1 500 . 18 1 1 A 40 40 SER C C 32 173.752 173.755 -0.003 1
1 501 . 18 1 1 A 40 40 SER CA C 32 57.211 56.270 0.941 1
1 502 . 18 1 1 A 40 40 SER CB C 32 65.547 65.095 0.452 1
1 503 . 18 1 1 A 40 40 SER N N 32 107.441 111.914 -4.473 1
1 504 . 18 1 1 A 41 41 GLN H H 33 8.828 8.339 0.489 1
1 505 . 18 1 1 A 41 41 GLN HA H 33 2.511 3.053 -0.542 1
1 512 . 18 1 1 A 41 41 GLN C C 33 177.001 176.325 0.676 1
1 513 . 18 1 1 A 41 41 GLN CA C 33 58.261 58.677 -0.416 1
1 514 . 18 1 1 A 41 41 GLN CB C 33 27.168 27.736 -0.568 1
1 516 . 18 1 1 A 41 41 GLN N N 33 123.170 124.265 -1.095 1
1 518 . 18 1 1 A 42 42 ASP H H 34 7.774 8.158 -0.384 1
1 519 . 18 1 1 A 42 42 ASP HA H 34 4.289 4.241 0.048 1
1 522 . 18 1 1 A 42 42 ASP C C 34 176.567 177.993 -1.426 1
1 523 . 18 1 1 A 42 42 ASP CA C 34 55.710 57.003 -1.293 1
1 524 . 18 1 1 A 42 42 ASP CB C 34 40.459 41.137 -0.678 1
1 525 . 18 1 1 A 42 42 ASP N N 34 116.558 119.667 -3.109 1
1 526 . 18 1 1 A 43 43 ASP H H 35 7.388 7.970 -0.582 1
1 527 . 18 1 1 A 43 43 ASP HA H 35 4.755 4.396 0.359 1
1 530 . 18 1 1 A 43 43 ASP C C 35 177.129 178.663 -1.534 1
1 531 . 18 1 1 A 43 43 ASP CA C 35 54.563 56.319 -1.756 1
1 532 . 18 1 1 A 43 43 ASP CB C 35 42.434 41.466 0.968 1
1 533 . 18 1 1 A 43 43 ASP N N 35 117.173 119.503 -2.330 1
1 534 . 18 1 1 A 44 44 VAL H H 36 7.063 7.484 -0.421 1
1 535 . 18 1 1 A 44 44 VAL HA H 36 3.372 1.854 1.518 1
1 543 . 18 1 1 A 44 44 VAL C C 36 178.169 177.609 0.560 1
1 544 . 18 1 1 A 44 44 VAL CA C 36 65.325 65.543 -0.218 1
1 545 . 18 1 1 A 44 44 VAL CB C 36 31.179 30.751 0.428 1
1 548 . 18 1 1 A 44 44 VAL N N 36 121.695 118.955 2.740 1
1 549 . 18 1 1 A 45 45 CYS H H 37 8.133 7.784 0.349 1
1 550 . 18 1 1 A 45 45 CYS HA H 37 4.425 4.211 0.214 1
1 553 . 18 1 1 A 45 45 CYS C C 37 175.083 176.519 -1.436 1
1 554 . 18 1 1 A 45 45 CYS CA C 37 59.202 62.088 -2.886 1
1 555 . 18 1 1 A 45 45 CYS CB C 37 27.101 27.127 -0.026 1
1 556 . 18 1 1 A 45 45 CYS N N 37 115.191 119.433 -4.242 1
1 557 . 18 1 1 A 46 46 LYS H H 38 7.844 7.434 0.410 1
1 558 . 18 1 1 A 46 46 LYS HA H 38 4.428 4.255 0.173 1
1 567 . 18 1 1 A 46 46 LYS C C 38 177.049 177.546 -0.497 1
1 568 . 18 1 1 A 46 46 LYS CA C 38 56.787 56.279 0.508 1
1 569 . 18 1 1 A 46 46 LYS CB C 38 33.119 32.822 0.297 1
1 573 . 18 1 1 A 46 46 LYS N N 38 121.496 117.619 3.877 1
1 574 . 18 1 1 A 47 47 GLY H H 39 7.759 7.783 -0.024 1
1 575 . 18 1 1 A 47 47 GLY HA2 H 39 4.022 4.098 -0.076 1
1 576 . 18 1 1 A 47 47 GLY HA3 H 39 4.542 4.188 0.354 1
1 577 . 18 1 1 A 47 47 GLY C C 39 173.037 173.720 -0.683 1
1 578 . 18 1 1 A 47 47 GLY CA C 39 44.261 44.772 -0.511 1
1 579 . 18 1 1 A 47 47 GLY N N 39 107.270 107.474 -0.204 1
1 580 . 18 1 1 A 48 48 SER H H 40 8.478 8.682 -0.204 1
1 581 . 18 1 1 A 48 48 SER HA H 40 3.783 4.530 -0.747 1
1 584 . 18 1 1 A 48 48 SER C C 40 175.221 174.822 0.399 1
1 585 . 18 1 1 A 48 48 SER CA C 40 57.947 58.342 -0.395 1
1 586 . 18 1 1 A 48 48 SER CB C 40 63.811 63.419 0.392 1
1 587 . 18 1 1 A 48 48 SER N N 40 116.121 117.736 -1.615 1
1 588 . 18 1 1 A 49 49 LYS H H 41 8.394 8.800 -0.406 1
1 589 . 18 1 1 A 49 49 LYS HA H 41 4.188 4.454 -0.266 1
1 598 . 18 1 1 A 49 49 LYS C C 41 176.470 175.870 0.600 1
1 599 . 18 1 1 A 49 49 LYS CA C 41 55.331 56.543 -1.212 1
1 600 . 18 1 1 A 49 49 LYS CB C 41 32.293 32.971 -0.678 1
1 604 . 18 1 1 A 49 49 LYS N N 41 120.990 123.696 -2.706 1
1 605 . 18 1 1 A 50 50 GLY H H 42 6.747 7.677 -0.930 1
1 606 . 18 1 1 A 50 50 GLY HA2 H 42 3.531 4.093 -0.562 1
1 607 . 18 1 1 A 50 50 GLY HA3 H 42 3.884 4.177 -0.293 1
1 608 . 18 1 1 A 50 50 GLY C C 42 170.967 171.801 -0.834 1
1 609 . 18 1 1 A 50 50 GLY CA C 42 45.060 44.639 0.421 1
1 610 . 18 1 1 A 50 50 GLY N N 42 106.048 107.028 -0.980 1
1 611 . 18 1 1 A 51 51 SER H H 43 8.158 8.969 -0.811 1
1 612 . 18 1 1 A 51 51 SER HA H 43 5.343 5.133 0.210 1
1 615 . 18 1 1 A 51 51 SER C C 43 172.787 172.957 -0.170 1
1 616 . 18 1 1 A 51 51 SER CA C 43 57.639 57.315 0.324 1
1 617 . 18 1 1 A 51 51 SER CB C 43 65.897 66.354 -0.457 1
1 618 . 18 1 1 A 51 51 SER N N 43 113.080 120.777 -7.697 1
1 619 . 18 1 1 A 52 52 ILE H H 44 9.306 9.469 -0.163 1
1 620 . 18 1 1 A 52 52 ILE HA H 44 4.203 4.678 -0.475 1
1 630 . 18 1 1 A 52 52 ILE C C 44 174.340 174.593 -0.253 1
1 631 . 18 1 1 A 52 52 ILE CA C 44 60.326 60.275 0.051 1
1 632 . 18 1 1 A 52 52 ILE CB C 44 42.302 39.680 2.622 1
1 636 . 18 1 1 A 52 52 ILE N N 44 123.385 123.492 -0.107 1
1 637 . 18 1 1 A 53 53 LYS H H 45 8.495 8.672 -0.177 1
1 638 . 18 1 1 A 53 53 LYS HA H 45 4.444 4.588 -0.144 1
1 647 . 18 1 1 A 53 53 LYS C C 45 176.283 176.292 -0.009 1
1 648 . 18 1 1 A 53 53 LYS CA C 45 56.255 56.286 -0.031 1
1 649 . 18 1 1 A 53 53 LYS CB C 45 32.258 32.383 -0.125 1
1 653 . 18 1 1 A 53 53 LYS N N 45 127.498 129.062 -1.564 1
1 654 . 18 1 1 A 54 54 MET H H 46 8.190 8.522 -0.332 1
1 655 . 18 1 1 A 54 54 MET HA H 46 4.585 4.129 0.456 1
1 663 . 18 1 1 A 54 54 MET C C 46 178.779 178.043 0.736 1
1 664 . 18 1 1 A 54 54 MET CA C 46 55.549 58.661 -3.112 1
1 665 . 18 1 1 A 54 54 MET CB C 46 29.465 31.855 -2.390 1
1 668 . 18 1 1 A 54 54 MET N N 46 123.817 125.421 -1.604 1
1 669 . 18 1 1 A 55 55 ALA H H 47 8.860 7.900 0.960 1
1 670 . 18 1 1 A 55 55 ALA HA H 47 4.142 4.160 -0.018 1
1 674 . 18 1 1 A 55 55 ALA C C 47 178.752 177.780 0.972 1
1 675 . 18 1 1 A 55 55 ALA CA C 47 55.004 54.319 0.685 1
1 676 . 18 1 1 A 55 55 ALA CB C 47 19.312 18.383 0.929 1
1 677 . 18 1 1 A 55 55 ALA N N 47 119.194 121.029 -1.835 1
1 678 . 18 1 1 A 56 56 VAL H H 48 7.127 7.919 -0.792 1
1 679 . 18 1 1 A 56 56 VAL HA H 48 4.592 4.370 0.222 1
1 687 . 18 1 1 A 56 56 VAL C C 48 174.965 175.728 -0.763 1
1 688 . 18 1 1 A 56 56 VAL CA C 48 60.038 61.425 -1.387 1
1 689 . 18 1 1 A 56 56 VAL CB C 48 31.878 33.514 -1.636 1
1 692 . 18 1 1 A 56 56 VAL N N 48 105.989 116.871 -10.882 1
1 693 . 18 1 1 A 57 57 CYS H H 49 7.414 7.692 -0.278 1
1 694 . 18 1 1 A 57 57 CYS HA H 49 4.897 5.049 -0.152 1
1 697 . 18 1 1 A 57 57 CYS C C 49 173.836 172.500 1.336 1
1 698 . 18 1 1 A 57 57 CYS CA C 49 58.123 57.189 0.934 1
1 699 . 18 1 1 A 57 57 CYS CB C 49 30.078 30.707 -0.629 1
1 700 . 18 1 1 A 57 57 CYS N N 49 119.973 121.072 -1.099 1
1 701 . 18 1 1 A 58 58 GLU H H 50 8.852 9.001 -0.149 1
1 702 . 18 1 1 A 58 58 GLU HA H 50 4.674 4.755 -0.081 1
1 707 . 18 1 1 A 58 58 GLU C C 50 175.085 174.909 0.176 1
1 708 . 18 1 1 A 58 58 GLU CA C 50 54.809 55.971 -1.162 1
1 709 . 18 1 1 A 58 58 GLU CB C 50 31.856 30.771 1.085 1
1 711 . 18 1 1 A 58 58 GLU N N 50 124.719 126.728 -2.009 1
1 712 . 18 1 1 A 59 59 ILE H H 51 8.731 8.875 -0.144 1
1 713 . 18 1 1 A 59 59 ILE HA H 51 4.625 4.966 -0.341 1
1 723 . 18 1 1 A 59 59 ILE C C 51 175.513 174.210 1.303 1
1 724 . 18 1 1 A 59 59 ILE CA C 51 60.675 60.226 0.449 1
1 725 . 18 1 1 A 59 59 ILE CB C 51 39.717 39.895 -0.178 1
1 729 . 18 1 1 A 59 59 ILE N N 51 124.286 126.664 -2.378 1
1 730 . 18 1 1 A 60 60 LYS H H 52 9.212 9.297 -0.085 1
1 731 . 18 1 1 A 60 60 LYS HA H 52 4.829 4.712 0.117 1
1 740 . 18 1 1 A 60 60 LYS C C 52 175.594 175.227 0.367 1
1 741 . 18 1 1 A 60 60 LYS CA C 52 54.490 56.008 -1.518 1
1 742 . 18 1 1 A 60 60 LYS CB C 52 34.908 32.863 2.045 1
1 746 . 18 1 1 A 60 60 LYS N N 52 128.004 129.499 -1.495 1
1 747 . 18 1 1 A 61 61 VAL H H 53 8.776 8.741 0.035 1
1 748 . 18 1 1 A 61 61 VAL HA H 53 4.087 4.838 -0.751 1
1 756 . 18 1 1 A 61 61 VAL C C 53 175.262 174.916 0.346 1
1 757 . 18 1 1 A 61 61 VAL CA C 53 62.067 61.503 0.564 1
1 758 . 18 1 1 A 61 61 VAL CB C 53 33.296 34.203 -0.907 1
1 761 . 18 1 1 A 61 61 VAL N N 53 124.000 124.644 -0.644 1
1 762 . 18 1 1 A 62 62 HIS H H 54 7.677 8.859 -1.182 1
1 763 . 18 1 1 A 62 62 HIS HA H 54 4.456 4.708 -0.252 1
1 766 . 18 1 1 A 62 62 HIS C C 54 176.465 174.919 1.546 1
1 767 . 18 1 1 A 62 62 HIS CA C 54 57.986 56.944 1.042 1
1 768 . 18 1 1 A 62 62 HIS CB C 54 32.369 31.074 1.295 1
1 769 . 18 1 1 A 62 62 HIS N N 54 127.177 125.534 1.643 1
1 770 . 18 1 1 A 63 63 SER H H 55 8.552 8.705 -0.153 1
1 771 . 18 1 1 A 63 63 SER HA H 55 4.251 4.529 -0.278 1
1 774 . 18 1 1 A 63 63 SER C C 55 174.509 172.460 2.049 1
1 775 . 18 1 1 A 63 63 SER CA C 55 60.312 58.184 2.128 1
1 776 . 18 1 1 A 63 63 SER CB C 55 63.609 62.602 1.007 1
1 777 . 18 1 1 A 63 63 SER N N 55 120.508 115.605 4.903 1
1 778 . 18 1 1 A 64 64 ALA H H 56 8.807 7.495 1.312 1
1 779 . 18 1 1 A 64 64 ALA HA H 56 4.553 4.525 0.028 1
1 783 . 18 1 1 A 64 64 ALA C C 56 176.763 175.639 1.124 1
1 784 . 18 1 1 A 64 64 ALA CA C 56 53.183 51.532 1.651 1
1 785 . 18 1 1 A 64 64 ALA CB C 56 20.619 19.717 0.902 1
1 786 . 18 1 1 A 64 64 ALA N N 56 124.728 122.965 1.763 1
1 787 . 18 1 1 A 65 65 ASP H H 57 8.762 8.968 -0.206 1
1 788 . 18 1 1 A 65 65 ASP HA H 57 4.689 4.866 -0.177 1
1 791 . 18 1 1 A 65 65 ASP C C 57 176.322 175.424 0.898 1
1 792 . 18 1 1 A 65 65 ASP CA C 57 52.911 53.192 -0.281 1
1 793 . 18 1 1 A 65 65 ASP CB C 57 41.216 41.558 -0.342 1
1 794 . 18 1 1 A 65 65 ASP N N 57 120.574 126.549 -5.975 1
1 795 . 18 1 1 A 66 66 ASN H H 58 8.457 7.906 0.551 1
1 796 . 18 1 1 A 66 66 ASN HA H 58 4.580 4.825 -0.245 1
1 801 . 18 1 1 A 66 66 ASN C C 58 174.296 174.488 -0.192 1
1 802 . 18 1 1 A 66 66 ASN CA C 58 54.146 52.508 1.638 1
1 803 . 18 1 1 A 66 66 ASN CB C 58 37.538 38.942 -1.404 1
1 804 . 18 1 1 A 66 66 ASN N N 58 122.233 120.147 2.086 1
1 806 . 18 1 1 A 67 67 THR H H 59 8.411 8.319 0.092 1
1 807 . 18 1 1 A 67 67 THR HA H 59 4.284 3.923 0.361 1
1 812 . 18 1 1 A 67 67 THR C C 59 175.932 173.372 2.560 1
1 813 . 18 1 1 A 67 67 THR CA C 59 62.159 63.491 -1.332 1
1 814 . 18 1 1 A 67 67 THR CB C 59 70.025 66.616 3.409 1
1 816 . 18 1 1 A 67 67 THR N N 59 104.777 118.903 -14.126 1
1 817 . 18 1 1 A 68 68 ARG H H 60 7.589 7.842 -0.253 1
1 818 . 18 1 1 A 68 68 ARG HA H 60 5.044 4.410 0.634 1
1 825 . 18 1 1 A 68 68 ARG C C 60 176.482 175.280 1.202 1
1 826 . 18 1 1 A 68 68 ARG CA C 60 56.516 55.477 1.039 1
1 827 . 18 1 1 A 68 68 ARG CB C 60 34.348 30.500 3.848 1
1 830 . 18 1 1 A 68 68 ARG N N 60 122.336 122.357 -0.021 1
1 831 . 18 1 1 A 69 69 MET H H 61 9.018 7.878 1.140 1
1 832 . 18 1 1 A 69 69 MET HA H 61 4.997 5.107 -0.110 1
1 840 . 18 1 1 A 69 69 MET C C 61 172.463 174.458 -1.995 1
1 841 . 18 1 1 A 69 69 MET CA C 61 55.330 53.970 1.360 1
1 842 . 18 1 1 A 69 69 MET CB C 61 37.234 37.233 0.001 1
1 845 . 18 1 1 A 69 69 MET N N 61 119.640 123.448 -3.808 1
1 846 . 18 1 1 A 70 70 GLU H H 62 8.996 8.919 0.077 1
1 847 . 18 1 1 A 70 70 GLU HA H 62 5.365 5.003 0.362 1
1 852 . 18 1 1 A 70 70 GLU C C 62 173.523 174.679 -1.156 1
1 853 . 18 1 1 A 70 70 GLU CA C 62 54.326 54.824 -0.498 1
1 854 . 18 1 1 A 70 70 GLU CB C 62 33.915 33.572 0.343 1
1 856 . 18 1 1 A 70 70 GLU N N 62 122.200 123.892 -1.692 1
1 857 . 18 1 1 A 71 71 LEU H H 63 8.763 9.418 -0.655 1
1 858 . 18 1 1 A 71 71 LEU HA H 63 5.222 5.281 -0.059 1
1 868 . 18 1 1 A 71 71 LEU C C 63 175.719 175.007 0.712 1
1 869 . 18 1 1 A 71 71 LEU CA C 63 53.222 53.373 -0.151 1
1 870 . 18 1 1 A 71 71 LEU CB C 63 43.781 43.416 0.365 1
1 874 . 18 1 1 A 71 71 LEU N N 63 123.741 127.070 -3.329 1
1 875 . 18 1 1 A 72 72 ILE H H 64 9.006 9.254 -0.248 1
1 876 . 18 1 1 A 72 72 ILE HA H 64 4.316 5.099 -0.783 1
1 886 . 18 1 1 A 72 72 ILE C C 64 175.349 173.555 1.794 1
1 887 . 18 1 1 A 72 72 ILE CA C 64 60.921 60.309 0.612 1
1 888 . 18 1 1 A 72 72 ILE CB C 64 39.919 40.874 -0.955 1
1 892 . 18 1 1 A 72 72 ILE N N 64 123.633 126.623 -2.990 1
1 893 . 18 1 1 A 73 73 ILE H H 65 8.601 9.024 -0.423 1
1 894 . 18 1 1 A 73 73 ILE HA H 65 4.854 4.776 0.078 1
1 904 . 18 1 1 A 73 73 ILE CA C 65 58.440 57.390 1.050 1
1 905 . 18 1 1 A 73 73 ILE CB C 65 39.820 41.086 -1.266 1
1 909 . 18 1 1 A 73 73 ILE N N 65 128.410 129.613 -1.203 1
1 910 . 18 1 1 A 74 74 PRO HA H 66 4.265 4.309 -0.044 1
1 917 . 18 1 1 A 74 74 PRO C C 66 177.170 177.451 -0.281 1
1 918 . 18 1 1 A 74 74 PRO CA C 66 64.500 64.144 0.356 1
1 919 . 18 1 1 A 74 74 PRO CB C 66 31.826 31.495 0.331 1
1 922 . 18 1 1 A 75 75 GLY H H 67 8.704 8.850 -0.146 1
1 923 . 18 1 1 A 75 75 GLY HA2 H 67 3.753 3.983 -0.230 1
1 924 . 18 1 1 A 75 75 GLY HA3 H 67 4.251 3.996 0.255 1
1 925 . 18 1 1 A 75 75 GLY C C 67 174.192 175.442 -1.250 1
1 926 . 18 1 1 A 75 75 GLY CA C 67 45.479 45.721 -0.242 1
1 927 . 18 1 1 A 75 75 GLY N N 67 111.825 112.585 -0.760 1
1 928 . 18 1 1 A 76 76 GLU H H 68 8.258 8.296 -0.038 1
1 929 . 18 1 1 A 76 76 GLU HA H 68 4.483 4.429 0.054 1
1 934 . 18 1 1 A 76 76 GLU C C 68 175.838 177.339 -1.501 1
1 935 . 18 1 1 A 76 76 GLU CA C 68 56.178 58.871 -2.693 1
1 936 . 18 1 1 A 76 76 GLU CB C 68 31.066 30.498 0.568 1
1 938 . 18 1 1 A 76 76 GLU N N 68 118.446 120.029 -1.583 1
1 939 . 18 1 1 A 77 77 GLN H H 69 8.102 8.413 -0.311 1
1 940 . 18 1 1 A 77 77 GLN HA H 69 4.556 4.599 -0.043 1
1 947 . 18 1 1 A 77 77 GLN C C 69 175.179 175.512 -0.333 1
1 948 . 18 1 1 A 77 77 GLN CA C 69 55.633 56.658 -1.025 1
1 949 . 18 1 1 A 77 77 GLN CB C 69 31.116 28.923 2.193 1
1 951 . 18 1 1 A 77 77 GLN N N 69 117.826 119.328 -1.502 1
1 953 . 18 1 1 A 78 78 HIS H H 70 8.857 9.003 -0.146 1
1 954 . 18 1 1 A 78 78 HIS HA H 70 4.923 4.195 0.728 1
1 957 . 18 1 1 A 78 78 HIS C C 70 173.113 173.773 -0.660 1
1 958 . 18 1 1 A 78 78 HIS CA C 70 54.623 56.845 -2.222 1
1 959 . 18 1 1 A 78 78 HIS CB C 70 30.231 28.508 1.723 1
1 960 . 18 1 1 A 78 78 HIS N N 70 120.752 119.171 1.581 1
1 961 . 18 1 1 A 79 79 PHE H H 71 9.120 7.547 1.573 1
1 962 . 18 1 1 A 79 79 PHE HA H 71 4.797 4.727 0.070 1
1 967 . 18 1 1 A 79 79 PHE C C 71 174.341 174.118 0.223 1
1 968 . 18 1 1 A 79 79 PHE CA C 71 56.191 56.521 -0.330 1
1 969 . 18 1 1 A 79 79 PHE CB C 71 40.983 39.639 1.344 1
1 970 . 18 1 1 A 79 79 PHE N N 71 124.577 118.974 5.603 1
1 971 . 18 1 1 A 80 80 TYR H H 72 8.883 9.057 -0.174 1
1 972 . 18 1 1 A 80 80 TYR HA H 72 5.142 5.000 0.142 1
1 979 . 18 1 1 A 80 80 TYR C C 72 175.115 174.546 0.569 1
1 980 . 18 1 1 A 80 80 TYR CA C 72 57.353 57.570 -0.217 1
1 981 . 18 1 1 A 80 80 TYR CB C 72 39.753 40.480 -0.727 1
1 986 . 18 1 1 A 80 80 TYR N N 72 124.010 125.577 -1.567 1
1 987 . 18 1 1 A 81 81 MET H H 73 8.824 8.473 0.351 1
1 988 . 18 1 1 A 81 81 MET HA H 73 5.983 4.870 1.113 1
1 996 . 18 1 1 A 81 81 MET C C 73 175.053 173.951 1.102 1
1 997 . 18 1 1 A 81 81 MET CA C 73 54.453 53.795 0.658 1
1 998 . 18 1 1 A 81 81 MET CB C 73 38.584 35.153 3.431 1
1 1001 . 18 1 1 A 81 81 MET N N 73 120.151 126.932 -6.781 1
1 1002 . 18 1 1 A 82 82 LYS H H 74 9.103 8.357 0.746 1
1 1003 . 18 1 1 A 82 82 LYS HA H 74 4.800 4.862 -0.062 1
1 1012 . 18 1 1 A 82 82 LYS C C 74 174.244 174.876 -0.632 1
1 1013 . 18 1 1 A 82 82 LYS CA C 74 55.314 55.340 -0.026 1
1 1014 . 18 1 1 A 82 82 LYS CB C 74 36.251 35.595 0.656 1
1 1018 . 18 1 1 A 82 82 LYS N N 74 121.097 123.974 -2.877 1
1 1019 . 18 1 1 A 83 83 ALA H H 75 8.740 8.356 0.384 1
1 1020 . 18 1 1 A 83 83 ALA HA H 75 4.786 4.673 0.113 1
1 1024 . 18 1 1 A 83 83 ALA C C 75 177.126 178.273 -1.147 1
1 1025 . 18 1 1 A 83 83 ALA CA C 75 49.893 51.329 -1.436 1
1 1026 . 18 1 1 A 83 83 ALA CB C 75 21.311 20.397 0.914 1
1 1027 . 18 1 1 A 83 83 ALA N N 75 126.624 128.013 -1.389 1
1 1028 . 18 1 1 A 84 84 VAL H H 76 9.105 8.672 0.433 1
1 1029 . 18 1 1 A 84 84 VAL HA H 76 3.835 3.923 -0.088 1
1 1037 . 18 1 1 A 84 84 VAL C C 76 175.635 176.047 -0.412 1
1 1038 . 18 1 1 A 84 84 VAL CA C 76 64.888 65.799 -0.911 1
1 1039 . 18 1 1 A 84 84 VAL CB C 76 32.097 32.024 0.073 1
1 1042 . 18 1 1 A 84 84 VAL N N 76 115.195 119.357 -4.162 1
1 1043 . 18 1 1 A 85 85 ASN H H 77 7.278 7.957 -0.679 1
1 1044 . 18 1 1 A 85 85 ASN HA H 77 4.476 4.988 -0.512 1
1 1049 . 18 1 1 A 85 85 ASN C C 77 174.796 175.558 -0.762 1
1 1050 . 18 1 1 A 85 85 ASN CA C 77 52.193 51.406 0.787 1
1 1051 . 18 1 1 A 85 85 ASN CB C 77 39.702 40.765 -1.063 1
1 1052 . 18 1 1 A 85 85 ASN N N 77 109.430 115.466 -6.036 1
1 1054 . 18 1 1 A 86 86 ALA H H 78 8.681 8.754 -0.073 1
1 1055 . 18 1 1 A 86 86 ALA HA H 78 4.195 4.002 0.193 1
1 1059 . 18 1 1 A 86 86 ALA C C 78 180.157 180.114 0.043 1
1 1060 . 18 1 1 A 86 86 ALA CA C 78 54.919 55.497 -0.578 1
1 1061 . 18 1 1 A 86 86 ALA CB C 78 18.721 17.983 0.738 1
1 1062 . 18 1 1 A 86 86 ALA N N 78 121.886 121.606 0.280 1
1 1063 . 18 1 1 A 87 87 ALA H H 79 8.386 7.869 0.517 1
1 1064 . 18 1 1 A 87 87 ALA HA H 79 4.200 4.008 0.192 1
1 1068 . 18 1 1 A 87 87 ALA C C 79 181.167 179.985 1.182 1
1 1069 . 18 1 1 A 87 87 ALA CA C 79 55.195 55.223 -0.028 1
1 1070 . 18 1 1 A 87 87 ALA CB C 79 17.663 18.214 -0.551 1
1 1071 . 18 1 1 A 87 87 ALA N N 79 123.939 120.166 3.773 1
1 1072 . 18 1 1 A 88 88 GLU H H 80 8.743 7.915 0.828 1
1 1073 . 18 1 1 A 88 88 GLU HA H 80 4.260 4.062 0.198 1
1 1078 . 18 1 1 A 88 88 GLU C C 80 178.848 179.258 -0.410 1
1 1079 . 18 1 1 A 88 88 GLU CA C 80 59.191 59.436 -0.245 1
1 1080 . 18 1 1 A 88 88 GLU CB C 80 29.898 29.164 0.734 1
1 1082 . 18 1 1 A 88 88 GLU N N 80 119.694 117.973 1.721 1
1 1083 . 18 1 1 A 89 89 ARG H H 81 7.936 8.234 -0.298 1
1 1084 . 18 1 1 A 89 89 ARG HA H 81 3.780 4.044 -0.264 1
1 1087 . 18 1 1 A 89 89 ARG C C 81 177.596 178.781 -1.185 1
1 1088 . 18 1 1 A 89 89 ARG CA C 81 61.042 59.419 1.623 1
1 1089 . 18 1 1 A 89 89 ARG CB C 81 29.630 29.882 -0.252 1
1 1090 . 18 1 1 A 89 89 ARG N N 81 119.080 120.999 -1.919 1
1 1091 . 18 1 1 A 90 90 GLN H H 82 8.063 7.813 0.250 1
1 1092 . 18 1 1 A 90 90 GLN HA H 82 4.039 4.020 0.019 1
1 1099 . 18 1 1 A 90 90 GLN C C 82 177.419 178.274 -0.855 1
1 1100 . 18 1 1 A 90 90 GLN CA C 82 59.069 59.039 0.030 1
1 1101 . 18 1 1 A 90 90 GLN CB C 82 27.786 28.229 -0.443 1
1 1103 . 18 1 1 A 90 90 GLN N N 82 118.390 118.568 -0.178 1
1 1105 . 18 1 1 A 91 91 ARG H H 83 7.700 7.487 0.213 1
1 1106 . 18 1 1 A 91 91 ARG HA H 83 3.961 3.934 0.027 1
1 1114 . 18 1 1 A 91 91 ARG C C 83 180.016 178.987 1.029 1
1 1115 . 18 1 1 A 91 91 ARG CA C 83 59.750 59.547 0.203 1
1 1116 . 18 1 1 A 91 91 ARG CB C 83 30.401 29.779 0.622 1
1 1119 . 18 1 1 A 91 91 ARG N N 83 117.912 118.608 -0.696 1
1 1121 . 18 1 1 A 92 92 TRP H H 84 7.895 7.710 0.185 1
1 1122 . 18 1 1 A 92 92 TRP HA H 84 4.115 4.494 -0.379 1
1 1130 . 18 1 1 A 92 92 TRP C C 84 178.111 179.114 -1.003 1
1 1131 . 18 1 1 A 92 92 TRP CA C 84 61.633 59.833 1.800 1
1 1132 . 18 1 1 A 92 92 TRP CB C 84 29.032 29.425 -0.393 1
1 1137 . 18 1 1 A 92 92 TRP N N 84 119.237 121.010 -1.773 1
1 1139 . 18 1 1 A 93 93 LEU H H 85 8.988 8.800 0.188 1
1 1140 . 18 1 1 A 93 93 LEU HA H 85 3.978 3.999 -0.021 1
1 1150 . 18 1 1 A 93 93 LEU C C 85 180.925 179.684 1.241 1
1 1151 . 18 1 1 A 93 93 LEU CA C 85 58.716 57.862 0.854 1
1 1152 . 18 1 1 A 93 93 LEU CB C 85 41.506 41.170 0.336 1
1 1156 . 18 1 1 A 93 93 LEU N N 85 119.853 120.219 -0.366 1
1 1157 . 18 1 1 A 94 94 VAL H H 86 8.233 8.264 -0.031 1
1 1158 . 18 1 1 A 94 94 VAL HA H 86 3.695 3.500 0.195 1
1 1166 . 18 1 1 A 94 94 VAL C C 86 178.733 177.744 0.989 1
1 1167 . 18 1 1 A 94 94 VAL CA C 86 66.250 66.633 -0.383 1
1 1168 . 18 1 1 A 94 94 VAL CB C 86 31.886 31.474 0.412 1
1 1171 . 18 1 1 A 94 94 VAL N N 86 120.164 120.003 0.161 1
1 1172 . 18 1 1 A 95 95 ALA H H 87 7.345 7.649 -0.304 1
1 1173 . 18 1 1 A 95 95 ALA HA H 87 4.113 4.011 0.102 1
1 1177 . 18 1 1 A 95 95 ALA C C 87 180.055 180.327 -0.272 1
1 1178 . 18 1 1 A 95 95 ALA CA C 87 55.410 55.340 0.070 1
1 1179 . 18 1 1 A 95 95 ALA CB C 87 18.816 18.553 0.263 1
1 1180 . 18 1 1 A 95 95 ALA N N 87 123.818 121.658 2.160 1
1 1181 . 18 1 1 A 96 96 LEU H H 88 9.342 8.751 0.591 1
1 1182 . 18 1 1 A 96 96 LEU HA H 88 4.003 4.043 -0.040 1
1 1192 . 18 1 1 A 96 96 LEU C C 88 179.349 179.545 -0.196 1
1 1193 . 18 1 1 A 96 96 LEU CA C 88 57.786 58.252 -0.466 1
1 1194 . 18 1 1 A 96 96 LEU CB C 88 41.848 41.866 -0.018 1
1 1198 . 18 1 1 A 96 96 LEU N N 88 117.857 118.439 -0.582 1
1 1199 . 18 1 1 A 97 97 GLY H H 89 8.252 8.363 -0.111 1
1 1200 . 18 1 1 A 97 97 GLY HA2 H 89 3.819 3.848 -0.029 1
1 1201 . 18 1 1 A 97 97 GLY HA3 H 89 3.948 3.852 0.096 1
1 1202 . 18 1 1 A 97 97 GLY C C 89 176.463 176.036 0.427 1
1 1203 . 18 1 1 A 97 97 GLY CA C 89 46.620 47.361 -0.741 1
1 1204 . 18 1 1 A 97 97 GLY N N 89 105.618 105.971 -0.353 1
1 1205 . 18 1 1 A 98 98 SER H H 90 8.068 7.887 0.181 1
1 1206 . 18 1 1 A 98 98 SER HA H 90 4.377 4.135 0.242 1
1 1209 . 18 1 1 A 98 98 SER C C 90 176.144 176.568 -0.424 1
1 1210 . 18 1 1 A 98 98 SER CA C 90 60.842 61.292 -0.450 1
1 1211 . 18 1 1 A 98 98 SER CB C 90 63.116 63.031 0.085 1
1 1212 . 18 1 1 A 98 98 SER N N 90 117.602 117.372 0.230 1
1 1213 . 18 1 1 A 99 99 SER H H 91 8.036 7.696 0.340 1
1 1214 . 18 1 1 A 99 99 SER HA H 91 4.324 4.197 0.127 1
1 1217 . 18 1 1 A 99 99 SER C C 91 175.818 177.339 -1.521 1
1 1218 . 18 1 1 A 99 99 SER CA C 91 60.720 61.261 -0.541 1
1 1219 . 18 1 1 A 99 99 SER CB C 91 63.831 62.933 0.898 1
1 1220 . 18 1 1 A 99 99 SER N N 91 116.877 115.836 1.041 1
1 1221 . 18 1 1 A 100 100 LYS H H 92 7.838 7.628 0.210 1
1 1222 . 18 1 1 A 100 100 LYS HA H 92 4.068 4.064 0.004 1
1 1231 . 18 1 1 A 100 100 LYS C C 92 177.235 177.800 -0.565 1
1 1232 . 18 1 1 A 100 100 LYS CA C 92 58.121 58.520 -0.399 1
1 1233 . 18 1 1 A 100 100 LYS CB C 92 32.263 32.056 0.207 1
1 1237 . 18 1 1 A 100 100 LYS N N 92 119.456 121.725 -2.269 1
1 1238 . 18 1 1 A 101 101 ALA H H 93 7.924 7.278 0.646 1
1 1239 . 18 1 1 A 101 101 ALA HA H 93 4.321 4.311 0.010 1
1 1243 . 18 1 1 A 101 101 ALA C C 93 178.323 178.183 0.140 1
1 1244 . 18 1 1 A 101 101 ALA CA C 93 53.435 52.558 0.877 1
1 1245 . 18 1 1 A 101 101 ALA CB C 93 18.969 18.572 0.397 1
1 1246 . 18 1 1 A 101 101 ALA N N 93 122.054 121.057 0.997 1
1 1247 . 18 1 1 A 102 102 SER H H 94 8.061 7.997 0.064 1
1 1248 . 18 1 1 A 102 102 SER HA H 94 4.451 4.181 0.270 1
1 1251 . 18 1 1 A 102 102 SER C C 94 174.773 174.005 0.768 1
1 1252 . 18 1 1 A 102 102 SER CA C 94 59.086 58.941 0.145 1
1 1253 . 18 1 1 A 102 102 SER CB C 94 63.766 60.789 2.977 1
1 1254 . 18 1 1 A 102 102 SER N N 94 114.102 117.760 -3.658 1
1 1255 . 18 1 1 A 103 103 LEU H H 95 8.053 8.016 0.037 1
1 1256 . 18 1 1 A 103 103 LEU HA H 95 4.507 4.674 -0.167 1
1 1266 . 18 1 1 A 103 103 LEU C C 95 177.589 176.298 1.291 1
1 1267 . 18 1 1 A 103 103 LEU CA C 95 55.398 54.140 1.258 1
1 1268 . 18 1 1 A 103 103 LEU CB C 95 42.435 43.894 -1.459 1
1 1272 . 18 1 1 A 103 103 LEU N N 95 123.264 125.270 -2.006 1
1 1273 . 18 1 1 A 104 104 THR H H 96 8.045 8.542 -0.497 1
1 1274 . 18 1 1 A 104 104 THR HA H 96 4.383 4.463 -0.080 1
1 1279 . 18 1 1 A 104 104 THR C C 96 174.128 174.079 0.049 1
1 1280 . 18 1 1 A 104 104 THR CA C 96 61.982 61.057 0.925 1
1 1281 . 18 1 1 A 104 104 THR CB C 96 69.938 70.133 -0.195 1
1 1283 . 18 1 1 A 104 104 THR N N 96 113.833 115.620 -1.787 1
1 1284 . 18 1 1 A 105 105 ASP H H 97 8.346 8.695 -0.349 1
1 1285 . 18 1 1 A 105 105 ASP HA H 97 4.740 4.550 0.190 1
1 1288 . 18 1 1 A 105 105 ASP C C 97 176.310 175.224 1.086 1
1 1289 . 18 1 1 A 105 105 ASP CA C 97 54.300 54.813 -0.513 1
1 1290 . 18 1 1 A 105 105 ASP CB C 97 41.174 40.629 0.545 1
1 1291 . 18 1 1 A 105 105 ASP N N 97 123.107 120.204 2.903 1
1 1292 . 18 1 1 A 106 106 THR H H 98 8.147 8.189 -0.042 1
1 1293 . 18 1 1 A 106 106 THR HA H 98 4.355 4.271 0.084 1
1 1298 . 18 1 1 A 106 106 THR C C 98 174.523 173.778 0.745 1
1 1299 . 18 1 1 A 106 106 THR CA C 98 61.937 62.506 -0.569 1
1 1300 . 18 1 1 A 106 106 THR CB C 98 69.656 69.970 -0.314 1
1 1302 . 18 1 1 A 106 106 THR N N 98 114.857 113.975 0.882 1
1 1303 . 18 1 1 A 107 107 ARG H H 99 8.385 8.469 -0.084 1
1 1304 . 18 1 1 A 107 107 ARG HA H 99 4.442 4.693 -0.251 1
1 1312 . 18 1 1 A 107 107 ARG C C 99 175.764 174.457 1.307 1
1 1313 . 18 1 1 A 107 107 ARG CA C 99 56.311 55.323 0.988 1
1 1314 . 18 1 1 A 107 107 ARG CB C 99 30.745 33.734 -2.989 1
1 1317 . 18 1 1 A 107 107 ARG N N 99 123.999 122.901 1.098 1
1 1 . 19 1 1 A 2 2 PRO HA H -6 4.460 4.587 -0.127 1
1 8 . 19 1 1 A 2 2 PRO C C -6 176.875 175.835 1.040 1
1 9 . 19 1 1 A 2 2 PRO CA C -6 63.159 62.788 0.371 1
1 10 . 19 1 1 A 2 2 PRO CB C -6 32.292 32.348 -0.056 1
1 13 . 19 1 1 A 3 3 LEU H H -5 8.483 8.491 -0.008 1
1 14 . 19 1 1 A 3 3 LEU HA H -5 4.334 4.555 -0.221 1
1 24 . 19 1 1 A 3 3 LEU C C -5 177.797 177.118 0.679 1
1 25 . 19 1 1 A 3 3 LEU CA C -5 55.474 54.312 1.162 1
1 26 . 19 1 1 A 3 3 LEU CB C -5 42.239 42.778 -0.539 1
1 30 . 19 1 1 A 3 3 LEU N N -5 122.315 123.295 -0.980 1
1 31 . 19 1 1 A 4 4 GLY H H -4 8.393 8.924 -0.531 1
1 32 . 19 1 1 A 4 4 GLY HA2 H -4 3.978 3.888 0.090 1
1 33 . 19 1 1 A 4 4 GLY HA3 H -4 3.978 3.888 0.090 1
1 34 . 19 1 1 A 4 4 GLY C C -4 173.730 174.127 -0.397 1
1 35 . 19 1 1 A 4 4 GLY CA C -4 45.158 47.255 -2.097 1
1 36 . 19 1 1 A 4 4 GLY N N -4 109.911 116.289 -6.378 1
1 37 . 19 1 1 A 5 5 SER H H -3 8.162 8.252 -0.090 1
1 38 . 19 1 1 A 5 5 SER HA H -3 4.764 4.646 0.118 1
1 41 . 19 1 1 A 5 5 SER CA C -3 56.323 59.312 -2.989 1
1 42 . 19 1 1 A 5 5 SER CB C -3 63.515 65.820 -2.305 1
1 43 . 19 1 1 A 5 5 SER N N -3 116.873 119.461 -2.588 1
1 44 . 19 1 1 A 6 6 PRO HA H -2 4.399 4.379 0.020 1
1 47 . 19 1 1 A 6 6 PRO C C -2 176.587 175.667 0.920 1
1 48 . 19 1 1 A 6 6 PRO CA C -2 63.552 63.440 0.112 1
1 49 . 19 1 1 A 6 6 PRO CB C -2 31.997 31.709 0.288 1
1 50 . 19 1 1 A 7 7 GLU H H -1 8.364 8.728 -0.364 1
1 51 . 19 1 1 A 7 7 GLU HA H -1 4.285 4.714 -0.429 1
1 56 . 19 1 1 A 7 7 GLU C C -1 174.954 175.059 -0.105 1
1 57 . 19 1 1 A 7 7 GLU CA C -1 56.486 55.132 1.354 1
1 58 . 19 1 1 A 7 7 GLU CB C -1 29.924 29.430 0.494 1
1 60 . 19 1 1 A 7 7 GLU N N -1 119.665 123.661 -3.996 1
1 61 . 19 1 1 A 8 8 PHE H H 0 7.872 8.954 -1.082 1
1 62 . 19 1 1 A 8 8 PHE HA H 0 5.204 5.705 -0.501 1
1 67 . 19 1 1 A 8 8 PHE C C 0 174.670 173.602 1.068 1
1 68 . 19 1 1 A 8 8 PHE CA C 0 56.861 56.237 0.624 1
1 69 . 19 1 1 A 8 8 PHE CB C 0 41.874 42.575 -0.701 1
1 72 . 19 1 1 A 8 8 PHE N N 0 122.497 126.415 -3.918 1
1 73 . 19 1 1 A 9 9 MET H H 1 7.833 8.216 -0.383 1
1 74 . 19 1 1 A 9 9 MET HA H 1 4.095 4.702 -0.607 1
1 82 . 19 1 1 A 9 9 MET C C 1 171.191 173.900 -2.709 1
1 83 . 19 1 1 A 9 9 MET CA C 1 54.613 53.864 0.749 1
1 84 . 19 1 1 A 9 9 MET CB C 1 34.867 35.296 -0.429 1
1 87 . 19 1 1 A 9 9 MET N N 1 127.163 126.744 0.419 1
1 88 . 19 1 1 A 10 10 GLU H H 2 7.698 8.614 -0.916 1
1 89 . 19 1 1 A 10 10 GLU HA H 2 5.603 4.980 0.623 1
1 94 . 19 1 1 A 10 10 GLU C C 2 174.743 174.528 0.215 1
1 95 . 19 1 1 A 10 10 GLU CA C 2 53.345 54.185 -0.840 1
1 96 . 19 1 1 A 10 10 GLU CB C 2 32.408 33.718 -1.310 1
1 98 . 19 1 1 A 10 10 GLU N N 2 118.654 122.116 -3.462 1
1 99 . 19 1 1 A 11 11 GLY H H 3 7.994 7.176 0.818 1
1 100 . 19 1 1 A 11 11 GLY HA2 H 3 3.115 3.717 -0.602 1
1 101 . 19 1 1 A 11 11 GLY HA3 H 3 4.377 4.154 0.223 1
1 102 . 19 1 1 A 11 11 GLY C C 3 170.878 171.790 -0.912 1
1 103 . 19 1 1 A 11 11 GLY CA C 3 45.086 44.592 0.494 1
1 104 . 19 1 1 A 11 11 GLY N N 3 108.296 106.327 1.969 1
1 105 . 19 1 1 A 12 12 VAL H H 4 8.463 8.474 -0.011 1
1 106 . 19 1 1 A 12 12 VAL HA H 4 4.969 5.458 -0.489 1
1 114 . 19 1 1 A 12 12 VAL C C 4 177.805 174.222 3.583 1
1 115 . 19 1 1 A 12 12 VAL CA C 4 62.373 59.116 3.257 1
1 116 . 19 1 1 A 12 12 VAL CB C 4 33.152 35.625 -2.473 1
1 119 . 19 1 1 A 12 12 VAL N N 4 119.624 116.428 3.196 1
1 120 . 19 1 1 A 13 13 LEU H H 5 8.647 9.010 -0.363 1
1 121 . 19 1 1 A 13 13 LEU HA H 5 4.382 4.919 -0.537 1
1 131 . 19 1 1 A 13 13 LEU C C 5 175.407 175.322 0.085 1
1 132 . 19 1 1 A 13 13 LEU CA C 5 54.139 53.626 0.513 1
1 133 . 19 1 1 A 13 13 LEU CB C 5 46.374 45.552 0.822 1
1 137 . 19 1 1 A 13 13 LEU N N 5 125.806 122.596 3.210 1
1 138 . 19 1 1 A 14 14 TYR H H 6 9.007 9.205 -0.198 1
1 139 . 19 1 1 A 14 14 TYR HA H 6 5.026 5.130 -0.104 1
1 144 . 19 1 1 A 14 14 TYR C C 6 175.047 174.453 0.594 1
1 145 . 19 1 1 A 14 14 TYR CA C 6 57.484 58.488 -1.004 1
1 146 . 19 1 1 A 14 14 TYR CB C 6 39.400 38.946 0.454 1
1 147 . 19 1 1 A 14 14 TYR N N 6 118.975 124.865 -5.890 1
1 148 . 19 1 1 A 15 15 LYS H H 7 9.549 9.008 0.541 1
1 149 . 19 1 1 A 15 15 LYS HA H 7 5.467 4.682 0.785 1
1 158 . 19 1 1 A 15 15 LYS C C 7 175.772 175.521 0.251 1
1 159 . 19 1 1 A 15 15 LYS CA C 7 54.136 54.552 -0.416 1
1 160 . 19 1 1 A 15 15 LYS CB C 7 37.043 34.716 2.327 1
1 164 . 19 1 1 A 15 15 LYS N N 7 123.867 128.780 -4.913 1
1 165 . 19 1 1 A 16 16 TRP H H 8 8.355 8.530 -0.175 1
1 166 . 19 1 1 A 16 16 TRP HA H 8 3.893 4.872 -0.979 1
1 175 . 19 1 1 A 16 16 TRP C C 8 176.038 176.623 -0.585 1
1 176 . 19 1 1 A 16 16 TRP CA C 8 57.880 56.019 1.861 1
1 177 . 19 1 1 A 16 16 TRP CB C 8 29.347 29.538 -0.191 1
1 183 . 19 1 1 A 16 16 TRP N N 8 129.111 129.609 -0.498 1
1 185 . 19 1 1 A 17 17 THR H H 9 6.754 8.314 -1.560 1
1 186 . 19 1 1 A 17 17 THR HA H 9 4.127 4.313 -0.186 1
1 191 . 19 1 1 A 17 17 THR C C 9 172.153 173.703 -1.550 1
1 192 . 19 1 1 A 17 17 THR CA C 9 61.413 62.964 -1.551 1
1 193 . 19 1 1 A 17 17 THR CB C 9 69.317 68.512 0.805 1
1 195 . 19 1 1 A 17 17 THR N N 9 121.030 119.598 1.432 1
1 196 . 19 1 1 A 18 18 ASN H H 10 7.418 7.226 0.192 1
1 197 . 19 1 1 A 18 18 ASN HA H 10 4.051 5.003 -0.952 1
1 202 . 19 1 1 A 18 18 ASN C C 10 174.308 175.068 -0.760 1
1 203 . 19 1 1 A 18 18 ASN CA C 10 52.089 51.408 0.681 1
1 204 . 19 1 1 A 18 18 ASN CB C 10 39.339 42.222 -2.883 1
1 205 . 19 1 1 A 18 18 ASN N N 10 115.655 116.816 -1.161 1
1 207 . 19 1 1 A 19 19 TYR H H 11 8.348 9.031 -0.683 1
1 208 . 19 1 1 A 19 19 TYR HA H 11 4.284 4.298 -0.014 1
1 215 . 19 1 1 A 19 19 TYR C C 11 175.974 177.139 -1.165 1
1 216 . 19 1 1 A 19 19 TYR CA C 11 60.774 60.192 0.582 1
1 217 . 19 1 1 A 19 19 TYR CB C 11 37.815 38.051 -0.236 1
1 222 . 19 1 1 A 19 19 TYR N N 11 115.508 121.139 -5.631 1
1 223 . 19 1 1 A 20 20 LEU H H 12 7.827 7.636 0.191 1
1 224 . 19 1 1 A 20 20 LEU HA H 12 4.091 3.951 0.140 1
1 234 . 19 1 1 A 20 20 LEU C C 12 178.711 179.355 -0.644 1
1 235 . 19 1 1 A 20 20 LEU CA C 12 56.966 57.626 -0.660 1
1 236 . 19 1 1 A 20 20 LEU CB C 12 41.922 41.636 0.286 1
1 240 . 19 1 1 A 20 20 LEU N N 12 120.867 122.144 -1.277 1
1 241 . 19 1 1 A 21 21 THR H H 13 7.651 7.637 0.014 1
1 242 . 19 1 1 A 21 21 THR HA H 13 4.162 4.243 -0.081 1
1 247 . 19 1 1 A 21 21 THR C C 13 175.842 174.227 1.615 1
1 248 . 19 1 1 A 21 21 THR CA C 13 62.159 62.488 -0.329 1
1 249 . 19 1 1 A 21 21 THR CB C 13 69.191 70.234 -1.043 1
1 251 . 19 1 1 A 21 21 THR N N 13 108.304 107.516 0.788 1
1 252 . 19 1 1 A 22 22 GLY H H 14 7.679 7.843 -0.164 1
1 253 . 19 1 1 A 22 22 GLY HA2 H 14 2.802 3.815 -1.013 1
1 254 . 19 1 1 A 22 22 GLY HA3 H 14 3.715 4.049 -0.334 1
1 255 . 19 1 1 A 22 22 GLY C C 14 175.108 173.462 1.646 1
1 256 . 19 1 1 A 22 22 GLY CA C 14 46.131 44.705 1.426 1
1 257 . 19 1 1 A 22 22 GLY N N 14 109.901 109.306 0.595 1
1 258 . 19 1 1 A 23 23 TRP H H 15 8.817 8.351 0.466 1
1 259 . 19 1 1 A 23 23 TRP HA H 15 4.724 5.728 -1.004 1
1 268 . 19 1 1 A 23 23 TRP C C 15 176.569 175.763 0.806 1
1 269 . 19 1 1 A 23 23 TRP CA C 15 56.897 55.236 1.661 1
1 270 . 19 1 1 A 23 23 TRP CB C 15 29.825 32.100 -2.275 1
1 275 . 19 1 1 A 23 23 TRP N N 15 126.927 123.460 3.467 1
1 277 . 19 1 1 A 24 24 GLN H H 16 8.931 8.392 0.539 1
1 278 . 19 1 1 A 24 24 GLN HA H 16 5.186 4.224 0.962 1
1 285 . 19 1 1 A 24 24 GLN CA C 16 52.369 51.690 0.679 1
1 286 . 19 1 1 A 24 24 GLN CB C 16 31.536 30.668 0.868 1
1 288 . 19 1 1 A 24 24 GLN N N 16 122.710 121.263 1.447 1
1 290 . 19 1 1 A 25 25 PRO HA H 17 4.206 5.123 -0.917 1
1 297 . 19 1 1 A 25 25 PRO C C 17 176.918 176.218 0.700 1
1 298 . 19 1 1 A 25 25 PRO CA C 17 62.894 62.524 0.370 1
1 299 . 19 1 1 A 25 25 PRO CB C 17 31.444 31.692 -0.248 1
1 302 . 19 1 1 A 26 26 ARG H H 18 9.041 8.486 0.555 1
1 303 . 19 1 1 A 26 26 ARG HA H 18 4.857 4.809 0.048 1
1 310 . 19 1 1 A 26 26 ARG C C 18 173.102 174.398 -1.296 1
1 311 . 19 1 1 A 26 26 ARG CA C 18 53.273 54.196 -0.923 1
1 312 . 19 1 1 A 26 26 ARG CB C 18 34.254 34.422 -0.168 1
1 315 . 19 1 1 A 26 26 ARG N N 18 123.602 122.550 1.052 1
1 316 . 19 1 1 A 27 27 TRP H H 19 8.375 8.287 0.088 1
1 317 . 19 1 1 A 27 27 TRP HA H 19 5.077 5.283 -0.206 1
1 326 . 19 1 1 A 27 27 TRP C C 19 174.728 174.804 -0.076 1
1 327 . 19 1 1 A 27 27 TRP CA C 19 56.157 56.690 -0.533 1
1 328 . 19 1 1 A 27 27 TRP CB C 19 31.116 31.884 -0.768 1
1 334 . 19 1 1 A 27 27 TRP N N 19 121.669 124.523 -2.854 1
1 336 . 19 1 1 A 28 28 PHE H H 20 9.016 8.965 0.051 1
1 337 . 19 1 1 A 28 28 PHE HA H 20 5.385 5.407 -0.022 1
1 345 . 19 1 1 A 28 28 PHE C C 20 174.685 174.458 0.227 1
1 346 . 19 1 1 A 28 28 PHE CA C 20 56.699 56.339 0.360 1
1 347 . 19 1 1 A 28 28 PHE CB C 20 43.155 43.612 -0.457 1
1 353 . 19 1 1 A 28 28 PHE N N 20 128.520 126.109 2.411 1
1 354 . 19 1 1 A 29 29 VAL H H 21 9.058 9.144 -0.086 1
1 355 . 19 1 1 A 29 29 VAL HA H 21 4.681 5.187 -0.506 1
1 363 . 19 1 1 A 29 29 VAL C C 21 174.804 173.874 0.930 1
1 364 . 19 1 1 A 29 29 VAL CA C 21 61.719 59.808 1.911 1
1 365 . 19 1 1 A 29 29 VAL CB C 21 36.416 35.915 0.501 1
1 368 . 19 1 1 A 29 29 VAL N N 21 117.562 116.345 1.217 1
1 369 . 19 1 1 A 30 30 LEU H H 22 9.543 9.005 0.538 1
1 370 . 19 1 1 A 30 30 LEU HA H 22 5.311 5.260 0.051 1
1 380 . 19 1 1 A 30 30 LEU C C 22 173.506 174.772 -1.266 1
1 381 . 19 1 1 A 30 30 LEU CA C 22 53.213 53.932 -0.719 1
1 382 . 19 1 1 A 30 30 LEU CB C 22 44.939 44.035 0.904 1
1 386 . 19 1 1 A 30 30 LEU N N 22 131.939 127.250 4.689 1
1 387 . 19 1 1 A 31 31 ASP H H 23 8.513 9.290 -0.777 1
1 388 . 19 1 1 A 31 31 ASP HA H 23 5.151 5.436 -0.285 1
1 391 . 19 1 1 A 31 31 ASP C C 23 176.940 175.765 1.175 1
1 392 . 19 1 1 A 31 31 ASP CA C 23 53.671 52.676 0.995 1
1 393 . 19 1 1 A 31 31 ASP CB C 23 43.770 43.329 0.441 1
1 394 . 19 1 1 A 31 31 ASP N N 23 121.978 125.137 -3.159 1
1 395 . 19 1 1 A 32 32 ASN H H 24 9.280 9.081 0.199 1
1 396 . 19 1 1 A 32 32 ASN HA H 24 4.421 4.394 0.027 1
1 401 . 19 1 1 A 32 32 ASN C C 24 175.044 174.565 0.479 1
1 402 . 19 1 1 A 32 32 ASN CA C 24 54.362 54.110 0.252 1
1 403 . 19 1 1 A 32 32 ASN CB C 24 37.804 37.580 0.224 1
1 404 . 19 1 1 A 32 32 ASN N N 24 125.653 118.488 7.165 1
1 406 . 19 1 1 A 33 33 GLY H H 25 8.997 8.438 0.559 1
1 407 . 19 1 1 A 33 33 GLY HA2 H 25 3.581 3.864 -0.283 1
1 408 . 19 1 1 A 33 33 GLY HA3 H 25 4.154 3.864 0.290 1
1 409 . 19 1 1 A 33 33 GLY C C 25 173.215 173.771 -0.556 1
1 410 . 19 1 1 A 33 33 GLY CA C 25 45.930 45.431 0.499 1
1 411 . 19 1 1 A 33 33 GLY N N 25 102.623 104.503 -1.880 1
1 412 . 19 1 1 A 34 34 ILE H H 26 7.955 7.767 0.188 1
1 413 . 19 1 1 A 34 34 ILE HA H 26 4.771 4.412 0.359 1
1 423 . 19 1 1 A 34 34 ILE C C 26 174.753 173.798 0.955 1
1 424 . 19 1 1 A 34 34 ILE CA C 26 59.201 60.494 -1.293 1
1 425 . 19 1 1 A 34 34 ILE CB C 26 39.393 40.678 -1.285 1
1 429 . 19 1 1 A 34 34 ILE N N 26 122.350 122.703 -0.353 1
1 430 . 19 1 1 A 35 35 LEU H H 27 9.274 9.532 -0.258 1
1 431 . 19 1 1 A 35 35 LEU HA H 27 5.441 5.287 0.154 1
1 441 . 19 1 1 A 35 35 LEU C C 27 175.131 175.615 -0.484 1
1 442 . 19 1 1 A 35 35 LEU CA C 27 53.160 53.484 -0.324 1
1 443 . 19 1 1 A 35 35 LEU CB C 27 44.532 44.715 -0.183 1
1 447 . 19 1 1 A 35 35 LEU N N 27 132.013 130.634 1.379 1
1 448 . 19 1 1 A 36 36 SER H H 28 9.668 9.140 0.528 1
1 449 . 19 1 1 A 36 36 SER HA H 28 5.379 5.282 0.097 1
1 452 . 19 1 1 A 36 36 SER C C 28 171.968 173.492 -1.524 1
1 453 . 19 1 1 A 36 36 SER CA C 28 57.345 55.595 1.750 1
1 454 . 19 1 1 A 36 36 SER CB C 28 66.044 66.105 -0.061 1
1 455 . 19 1 1 A 36 36 SER N N 28 123.682 121.248 2.434 1
1 456 . 19 1 1 A 37 37 TYR H H 29 7.452 7.620 -0.168 1
1 457 . 19 1 1 A 37 37 TYR HA H 29 5.658 5.719 -0.061 1
1 464 . 19 1 1 A 37 37 TYR C C 29 172.731 173.668 -0.937 1
1 465 . 19 1 1 A 37 37 TYR CA C 29 54.632 54.968 -0.336 1
1 466 . 19 1 1 A 37 37 TYR CB C 29 39.599 41.653 -2.054 1
1 471 . 19 1 1 A 37 37 TYR N N 29 115.554 118.612 -3.058 1
1 472 . 19 1 1 A 38 38 TYR H H 30 9.116 9.234 -0.118 1
1 473 . 19 1 1 A 38 38 TYR HA H 30 4.626 4.989 -0.363 1
1 480 . 19 1 1 A 38 38 TYR C C 30 175.771 175.305 0.466 1
1 481 . 19 1 1 A 38 38 TYR CA C 30 56.194 56.978 -0.784 1
1 482 . 19 1 1 A 38 38 TYR CB C 30 43.253 42.946 0.307 1
1 487 . 19 1 1 A 38 38 TYR N N 30 117.937 119.590 -1.653 1
1 488 . 19 1 1 A 39 39 ASP H H 31 9.474 9.810 -0.336 1
1 489 . 19 1 1 A 39 39 ASP HA H 31 4.624 4.572 0.052 1
1 492 . 19 1 1 A 39 39 ASP C C 31 176.264 175.436 0.828 1
1 493 . 19 1 1 A 39 39 ASP CA C 31 58.144 56.356 1.788 1
1 494 . 19 1 1 A 39 39 ASP CB C 31 40.399 41.598 -1.199 1
1 495 . 19 1 1 A 39 39 ASP N N 31 121.988 122.185 -0.197 1
1 496 . 19 1 1 A 40 40 SER H H 32 7.511 7.877 -0.366 1
1 497 . 19 1 1 A 40 40 SER HA H 32 4.567 4.812 -0.245 1
1 500 . 19 1 1 A 40 40 SER C C 32 173.752 173.942 -0.190 1
1 501 . 19 1 1 A 40 40 SER CA C 32 57.211 57.600 -0.389 1
1 502 . 19 1 1 A 40 40 SER CB C 32 65.547 66.735 -1.188 1
1 503 . 19 1 1 A 40 40 SER N N 32 107.441 110.866 -3.425 1
1 504 . 19 1 1 A 41 41 GLN H H 33 8.828 8.365 0.463 1
1 505 . 19 1 1 A 41 41 GLN HA H 33 2.511 2.737 -0.226 1
1 512 . 19 1 1 A 41 41 GLN C C 33 177.001 176.359 0.642 1
1 513 . 19 1 1 A 41 41 GLN CA C 33 58.261 58.583 -0.322 1
1 514 . 19 1 1 A 41 41 GLN CB C 33 27.168 27.975 -0.807 1
1 516 . 19 1 1 A 41 41 GLN N N 33 123.170 122.404 0.766 1
1 518 . 19 1 1 A 42 42 ASP H H 34 7.774 8.210 -0.436 1
1 519 . 19 1 1 A 42 42 ASP HA H 34 4.289 4.274 0.015 1
1 522 . 19 1 1 A 42 42 ASP C C 34 176.567 177.922 -1.355 1
1 523 . 19 1 1 A 42 42 ASP CA C 34 55.710 57.228 -1.518 1
1 524 . 19 1 1 A 42 42 ASP CB C 34 40.459 41.417 -0.958 1
1 525 . 19 1 1 A 42 42 ASP N N 34 116.558 119.747 -3.189 1
1 526 . 19 1 1 A 43 43 ASP H H 35 7.388 8.045 -0.657 1
1 527 . 19 1 1 A 43 43 ASP HA H 35 4.755 4.416 0.339 1
1 530 . 19 1 1 A 43 43 ASP C C 35 177.129 178.364 -1.235 1
1 531 . 19 1 1 A 43 43 ASP CA C 35 54.563 55.977 -1.414 1
1 532 . 19 1 1 A 43 43 ASP CB C 35 42.434 41.020 1.414 1
1 533 . 19 1 1 A 43 43 ASP N N 35 117.173 119.271 -2.098 1
1 534 . 19 1 1 A 44 44 VAL H H 36 7.063 7.443 -0.380 1
1 535 . 19 1 1 A 44 44 VAL HA H 36 3.372 2.242 1.130 1
1 543 . 19 1 1 A 44 44 VAL C C 36 178.169 178.181 -0.012 1
1 544 . 19 1 1 A 44 44 VAL CA C 36 65.325 65.959 -0.634 1
1 545 . 19 1 1 A 44 44 VAL CB C 36 31.179 30.989 0.190 1
1 548 . 19 1 1 A 44 44 VAL N N 36 121.695 118.563 3.132 1
1 549 . 19 1 1 A 45 45 CYS H H 37 8.133 7.817 0.316 1
1 550 . 19 1 1 A 45 45 CYS HA H 37 4.425 4.333 0.092 1
1 553 . 19 1 1 A 45 45 CYS C C 37 175.083 176.154 -1.071 1
1 554 . 19 1 1 A 45 45 CYS CA C 37 59.202 61.153 -1.951 1
1 555 . 19 1 1 A 45 45 CYS CB C 37 27.101 26.361 0.740 1
1 556 . 19 1 1 A 45 45 CYS N N 37 115.191 117.521 -2.330 1
1 557 . 19 1 1 A 46 46 LYS H H 38 7.844 7.348 0.496 1
1 558 . 19 1 1 A 46 46 LYS HA H 38 4.428 4.246 0.182 1
1 567 . 19 1 1 A 46 46 LYS C C 38 177.049 177.517 -0.468 1
1 568 . 19 1 1 A 46 46 LYS CA C 38 56.787 56.328 0.459 1
1 569 . 19 1 1 A 46 46 LYS CB C 38 33.119 32.684 0.435 1
1 573 . 19 1 1 A 46 46 LYS N N 38 121.496 117.965 3.531 1
1 574 . 19 1 1 A 47 47 GLY H H 39 7.759 7.818 -0.059 1
1 575 . 19 1 1 A 47 47 GLY HA2 H 39 4.022 4.091 -0.069 1
1 576 . 19 1 1 A 47 47 GLY HA3 H 39 4.542 4.148 0.394 1
1 577 . 19 1 1 A 47 47 GLY C C 39 173.037 173.681 -0.644 1
1 578 . 19 1 1 A 47 47 GLY CA C 39 44.261 44.706 -0.445 1
1 579 . 19 1 1 A 47 47 GLY N N 39 107.270 106.979 0.291 1
1 580 . 19 1 1 A 48 48 SER H H 40 8.478 8.633 -0.155 1
1 581 . 19 1 1 A 48 48 SER HA H 40 3.783 4.593 -0.810 1
1 584 . 19 1 1 A 48 48 SER C C 40 175.221 174.254 0.967 1
1 585 . 19 1 1 A 48 48 SER CA C 40 57.947 58.263 -0.316 1
1 586 . 19 1 1 A 48 48 SER CB C 40 63.811 63.421 0.390 1
1 587 . 19 1 1 A 48 48 SER N N 40 116.121 117.272 -1.151 1
1 588 . 19 1 1 A 49 49 LYS H H 41 8.394 8.777 -0.383 1
1 589 . 19 1 1 A 49 49 LYS HA H 41 4.188 4.482 -0.294 1
1 598 . 19 1 1 A 49 49 LYS C C 41 176.470 176.911 -0.441 1
1 599 . 19 1 1 A 49 49 LYS CA C 41 55.331 56.401 -1.070 1
1 600 . 19 1 1 A 49 49 LYS CB C 41 32.293 33.691 -1.398 1
1 604 . 19 1 1 A 49 49 LYS N N 41 120.990 123.847 -2.857 1
1 605 . 19 1 1 A 50 50 GLY H H 42 6.747 7.655 -0.908 1
1 606 . 19 1 1 A 50 50 GLY HA2 H 42 3.531 3.921 -0.390 1
1 607 . 19 1 1 A 50 50 GLY HA3 H 42 3.884 4.015 -0.131 1
1 608 . 19 1 1 A 50 50 GLY C C 42 170.967 171.954 -0.987 1
1 609 . 19 1 1 A 50 50 GLY CA C 42 45.060 44.465 0.595 1
1 610 . 19 1 1 A 50 50 GLY N N 42 106.048 107.661 -1.613 1
1 611 . 19 1 1 A 51 51 SER H H 43 8.158 8.587 -0.429 1
1 612 . 19 1 1 A 51 51 SER HA H 43 5.343 4.929 0.414 1
1 615 . 19 1 1 A 51 51 SER C C 43 172.787 173.106 -0.319 1
1 616 . 19 1 1 A 51 51 SER CA C 43 57.639 56.476 1.163 1
1 617 . 19 1 1 A 51 51 SER CB C 43 65.897 66.236 -0.339 1
1 618 . 19 1 1 A 51 51 SER N N 43 113.080 115.769 -2.689 1
1 619 . 19 1 1 A 52 52 ILE H H 44 9.306 9.417 -0.111 1
1 620 . 19 1 1 A 52 52 ILE HA H 44 4.203 4.672 -0.469 1
1 630 . 19 1 1 A 52 52 ILE C C 44 174.340 174.420 -0.080 1
1 631 . 19 1 1 A 52 52 ILE CA C 44 60.326 60.436 -0.110 1
1 632 . 19 1 1 A 52 52 ILE CB C 44 42.302 39.753 2.549 1
1 636 . 19 1 1 A 52 52 ILE N N 44 123.385 121.414 1.971 1
1 637 . 19 1 1 A 53 53 LYS H H 45 8.495 8.740 -0.245 1
1 638 . 19 1 1 A 53 53 LYS HA H 45 4.444 4.586 -0.142 1
1 647 . 19 1 1 A 53 53 LYS C C 45 176.283 176.245 0.038 1
1 648 . 19 1 1 A 53 53 LYS CA C 45 56.255 56.179 0.076 1
1 649 . 19 1 1 A 53 53 LYS CB C 45 32.258 32.535 -0.277 1
1 653 . 19 1 1 A 53 53 LYS N N 45 127.498 129.108 -1.610 1
1 654 . 19 1 1 A 54 54 MET H H 46 8.190 8.652 -0.462 1
1 655 . 19 1 1 A 54 54 MET HA H 46 4.585 4.126 0.459 1
1 663 . 19 1 1 A 54 54 MET C C 46 178.779 178.154 0.625 1
1 664 . 19 1 1 A 54 54 MET CA C 46 55.549 58.654 -3.105 1
1 665 . 19 1 1 A 54 54 MET CB C 46 29.465 31.843 -2.378 1
1 668 . 19 1 1 A 54 54 MET N N 46 123.817 125.431 -1.614 1
1 669 . 19 1 1 A 55 55 ALA H H 47 8.860 7.950 0.910 1
1 670 . 19 1 1 A 55 55 ALA HA H 47 4.142 4.156 -0.014 1
1 674 . 19 1 1 A 55 55 ALA C C 47 178.752 177.850 0.902 1
1 675 . 19 1 1 A 55 55 ALA CA C 47 55.004 54.334 0.670 1
1 676 . 19 1 1 A 55 55 ALA CB C 47 19.312 18.429 0.883 1
1 677 . 19 1 1 A 55 55 ALA N N 47 119.194 121.016 -1.822 1
1 678 . 19 1 1 A 56 56 VAL H H 48 7.127 8.009 -0.882 1
1 679 . 19 1 1 A 56 56 VAL HA H 48 4.592 4.370 0.222 1
1 687 . 19 1 1 A 56 56 VAL C C 48 174.965 175.621 -0.656 1
1 688 . 19 1 1 A 56 56 VAL CA C 48 60.038 61.513 -1.475 1
1 689 . 19 1 1 A 56 56 VAL CB C 48 31.878 33.551 -1.673 1
1 692 . 19 1 1 A 56 56 VAL N N 48 105.989 116.949 -10.960 1
1 693 . 19 1 1 A 57 57 CYS H H 49 7.414 7.632 -0.218 1
1 694 . 19 1 1 A 57 57 CYS HA H 49 4.897 5.196 -0.299 1
1 697 . 19 1 1 A 57 57 CYS C C 49 173.836 173.091 0.745 1
1 698 . 19 1 1 A 57 57 CYS CA C 49 58.123 57.324 0.799 1
1 699 . 19 1 1 A 57 57 CYS CB C 49 30.078 30.770 -0.692 1
1 700 . 19 1 1 A 57 57 CYS N N 49 119.973 120.874 -0.901 1
1 701 . 19 1 1 A 58 58 GLU H H 50 8.852 8.944 -0.092 1
1 702 . 19 1 1 A 58 58 GLU HA H 50 4.674 4.774 -0.100 1
1 707 . 19 1 1 A 58 58 GLU C C 50 175.085 175.110 -0.025 1
1 708 . 19 1 1 A 58 58 GLU CA C 50 54.809 56.060 -1.251 1
1 709 . 19 1 1 A 58 58 GLU CB C 50 31.856 30.854 1.002 1
1 711 . 19 1 1 A 58 58 GLU N N 50 124.719 125.786 -1.067 1
1 712 . 19 1 1 A 59 59 ILE H H 51 8.731 8.800 -0.069 1
1 713 . 19 1 1 A 59 59 ILE HA H 51 4.625 4.955 -0.330 1
1 723 . 19 1 1 A 59 59 ILE C C 51 175.513 174.283 1.230 1
1 724 . 19 1 1 A 59 59 ILE CA C 51 60.675 60.217 0.458 1
1 725 . 19 1 1 A 59 59 ILE CB C 51 39.717 39.714 0.003 1
1 729 . 19 1 1 A 59 59 ILE N N 51 124.286 125.277 -0.991 1
1 730 . 19 1 1 A 60 60 LYS H H 52 9.212 9.236 -0.024 1
1 731 . 19 1 1 A 60 60 LYS HA H 52 4.829 4.712 0.117 1
1 740 . 19 1 1 A 60 60 LYS C C 52 175.594 175.401 0.193 1
1 741 . 19 1 1 A 60 60 LYS CA C 52 54.490 56.011 -1.521 1
1 742 . 19 1 1 A 60 60 LYS CB C 52 34.908 32.881 2.027 1
1 746 . 19 1 1 A 60 60 LYS N N 52 128.004 129.137 -1.133 1
1 747 . 19 1 1 A 61 61 VAL H H 53 8.776 8.778 -0.002 1
1 748 . 19 1 1 A 61 61 VAL HA H 53 4.087 4.835 -0.748 1
1 756 . 19 1 1 A 61 61 VAL C C 53 175.262 175.140 0.122 1
1 757 . 19 1 1 A 61 61 VAL CA C 53 62.067 61.806 0.261 1
1 758 . 19 1 1 A 61 61 VAL CB C 53 33.296 34.032 -0.736 1
1 761 . 19 1 1 A 61 61 VAL N N 53 124.000 124.062 -0.062 1
1 762 . 19 1 1 A 62 62 HIS H H 54 7.677 8.994 -1.317 1
1 763 . 19 1 1 A 62 62 HIS HA H 54 4.456 4.740 -0.284 1
1 766 . 19 1 1 A 62 62 HIS C C 54 176.465 173.999 2.466 1
1 767 . 19 1 1 A 62 62 HIS CA C 54 57.986 57.034 0.952 1
1 768 . 19 1 1 A 62 62 HIS CB C 54 32.369 32.288 0.081 1
1 769 . 19 1 1 A 62 62 HIS N N 54 127.177 127.743 -0.566 1
1 770 . 19 1 1 A 63 63 SER H H 55 8.552 7.915 0.637 1
1 771 . 19 1 1 A 63 63 SER HA H 55 4.251 4.624 -0.373 1
1 774 . 19 1 1 A 63 63 SER C C 55 174.509 173.321 1.188 1
1 775 . 19 1 1 A 63 63 SER CA C 55 60.312 57.122 3.190 1
1 776 . 19 1 1 A 63 63 SER CB C 55 63.609 66.903 -3.294 1
1 777 . 19 1 1 A 63 63 SER N N 55 120.508 111.099 9.409 1
1 778 . 19 1 1 A 64 64 ALA H H 56 8.807 8.438 0.369 1
1 779 . 19 1 1 A 64 64 ALA HA H 56 4.553 3.893 0.660 1
1 783 . 19 1 1 A 64 64 ALA C C 56 176.763 176.442 0.321 1
1 784 . 19 1 1 A 64 64 ALA CA C 56 53.183 52.670 0.513 1
1 785 . 19 1 1 A 64 64 ALA CB C 56 20.619 17.658 2.961 1
1 786 . 19 1 1 A 64 64 ALA N N 56 124.728 121.196 3.532 1
1 787 . 19 1 1 A 65 65 ASP H H 57 8.762 8.554 0.208 1
1 788 . 19 1 1 A 65 65 ASP HA H 57 4.689 4.689 0.000 1
1 791 . 19 1 1 A 65 65 ASP C C 57 176.322 174.961 1.361 1
1 792 . 19 1 1 A 65 65 ASP CA C 57 52.911 53.665 -0.754 1
1 793 . 19 1 1 A 65 65 ASP CB C 57 41.216 39.098 2.118 1
1 794 . 19 1 1 A 65 65 ASP N N 57 120.574 119.581 0.993 1
1 795 . 19 1 1 A 66 66 ASN H H 58 8.457 8.172 0.285 1
1 796 . 19 1 1 A 66 66 ASN HA H 58 4.580 5.008 -0.428 1
1 801 . 19 1 1 A 66 66 ASN C C 58 174.296 173.741 0.555 1
1 802 . 19 1 1 A 66 66 ASN CA C 58 54.146 52.417 1.729 1
1 803 . 19 1 1 A 66 66 ASN CB C 58 37.538 42.121 -4.583 1
1 804 . 19 1 1 A 66 66 ASN N N 58 122.233 121.949 0.284 1
1 806 . 19 1 1 A 67 67 THR H H 59 8.411 8.474 -0.063 1
1 807 . 19 1 1 A 67 67 THR HA H 59 4.284 4.365 -0.081 1
1 812 . 19 1 1 A 67 67 THR C C 59 175.932 174.098 1.834 1
1 813 . 19 1 1 A 67 67 THR CA C 59 62.159 62.192 -0.033 1
1 814 . 19 1 1 A 67 67 THR CB C 59 70.025 68.185 1.840 1
1 816 . 19 1 1 A 67 67 THR N N 59 104.777 115.031 -10.254 1
1 817 . 19 1 1 A 68 68 ARG H H 60 7.589 8.148 -0.559 1
1 818 . 19 1 1 A 68 68 ARG HA H 60 5.044 5.049 -0.005 1
1 825 . 19 1 1 A 68 68 ARG C C 60 176.482 174.404 2.078 1
1 826 . 19 1 1 A 68 68 ARG CA C 60 56.516 55.017 1.499 1
1 827 . 19 1 1 A 68 68 ARG CB C 60 34.348 32.525 1.823 1
1 830 . 19 1 1 A 68 68 ARG N N 60 122.336 124.498 -2.162 1
1 831 . 19 1 1 A 69 69 MET H H 61 9.018 8.521 0.497 1
1 832 . 19 1 1 A 69 69 MET HA H 61 4.997 5.154 -0.157 1
1 840 . 19 1 1 A 69 69 MET C C 61 172.463 174.488 -2.025 1
1 841 . 19 1 1 A 69 69 MET CA C 61 55.330 53.919 1.411 1
1 842 . 19 1 1 A 69 69 MET CB C 61 37.234 37.137 0.097 1
1 845 . 19 1 1 A 69 69 MET N N 61 119.640 123.485 -3.845 1
1 846 . 19 1 1 A 70 70 GLU H H 62 8.996 8.922 0.074 1
1 847 . 19 1 1 A 70 70 GLU HA H 62 5.365 5.031 0.334 1
1 852 . 19 1 1 A 70 70 GLU C C 62 173.523 174.831 -1.308 1
1 853 . 19 1 1 A 70 70 GLU CA C 62 54.326 54.736 -0.410 1
1 854 . 19 1 1 A 70 70 GLU CB C 62 33.915 33.454 0.461 1
1 856 . 19 1 1 A 70 70 GLU N N 62 122.200 124.252 -2.052 1
1 857 . 19 1 1 A 71 71 LEU H H 63 8.763 9.450 -0.687 1
1 858 . 19 1 1 A 71 71 LEU HA H 63 5.222 5.253 -0.031 1
1 868 . 19 1 1 A 71 71 LEU C C 63 175.719 174.894 0.825 1
1 869 . 19 1 1 A 71 71 LEU CA C 63 53.222 53.628 -0.406 1
1 870 . 19 1 1 A 71 71 LEU CB C 63 43.781 42.909 0.872 1
1 874 . 19 1 1 A 71 71 LEU N N 63 123.741 127.091 -3.350 1
1 875 . 19 1 1 A 72 72 ILE H H 64 9.006 9.250 -0.244 1
1 876 . 19 1 1 A 72 72 ILE HA H 64 4.316 5.112 -0.796 1
1 886 . 19 1 1 A 72 72 ILE C C 64 175.349 173.604 1.745 1
1 887 . 19 1 1 A 72 72 ILE CA C 64 60.921 60.190 0.731 1
1 888 . 19 1 1 A 72 72 ILE CB C 64 39.919 40.904 -0.985 1
1 892 . 19 1 1 A 72 72 ILE N N 64 123.633 126.649 -3.016 1
1 893 . 19 1 1 A 73 73 ILE H H 65 8.601 8.998 -0.397 1
1 894 . 19 1 1 A 73 73 ILE HA H 65 4.854 4.781 0.073 1
1 904 . 19 1 1 A 73 73 ILE CA C 65 58.440 57.263 1.177 1
1 905 . 19 1 1 A 73 73 ILE CB C 65 39.820 41.200 -1.380 1
1 909 . 19 1 1 A 73 73 ILE N N 65 128.410 129.572 -1.162 1
1 910 . 19 1 1 A 74 74 PRO HA H 66 4.265 4.310 -0.045 1
1 917 . 19 1 1 A 74 74 PRO C C 66 177.170 177.366 -0.196 1
1 918 . 19 1 1 A 74 74 PRO CA C 66 64.500 63.794 0.706 1
1 919 . 19 1 1 A 74 74 PRO CB C 66 31.826 31.406 0.420 1
1 922 . 19 1 1 A 75 75 GLY H H 67 8.704 8.792 -0.088 1
1 923 . 19 1 1 A 75 75 GLY HA2 H 67 3.753 3.941 -0.188 1
1 924 . 19 1 1 A 75 75 GLY HA3 H 67 4.251 3.953 0.298 1
1 925 . 19 1 1 A 75 75 GLY C C 67 174.192 174.992 -0.800 1
1 926 . 19 1 1 A 75 75 GLY CA C 67 45.479 45.541 -0.062 1
1 927 . 19 1 1 A 75 75 GLY N N 67 111.825 111.739 0.086 1
1 928 . 19 1 1 A 76 76 GLU H H 68 8.258 7.752 0.506 1
1 929 . 19 1 1 A 76 76 GLU HA H 68 4.483 4.581 -0.098 1
1 934 . 19 1 1 A 76 76 GLU C C 68 175.838 177.189 -1.351 1
1 935 . 19 1 1 A 76 76 GLU CA C 68 56.178 57.995 -1.817 1
1 936 . 19 1 1 A 76 76 GLU CB C 68 31.066 31.164 -0.098 1
1 938 . 19 1 1 A 76 76 GLU N N 68 118.446 119.253 -0.807 1
1 939 . 19 1 1 A 77 77 GLN H H 69 8.102 8.320 -0.218 1
1 940 . 19 1 1 A 77 77 GLN HA H 69 4.556 4.477 0.079 1
1 947 . 19 1 1 A 77 77 GLN C C 69 175.179 175.331 -0.152 1
1 948 . 19 1 1 A 77 77 GLN CA C 69 55.633 56.867 -1.234 1
1 949 . 19 1 1 A 77 77 GLN CB C 69 31.116 28.885 2.231 1
1 951 . 19 1 1 A 77 77 GLN N N 69 117.826 119.559 -1.733 1
1 953 . 19 1 1 A 78 78 HIS H H 70 8.857 8.909 -0.052 1
1 954 . 19 1 1 A 78 78 HIS HA H 70 4.923 4.169 0.754 1
1 957 . 19 1 1 A 78 78 HIS C C 70 173.113 173.670 -0.557 1
1 958 . 19 1 1 A 78 78 HIS CA C 70 54.623 56.823 -2.200 1
1 959 . 19 1 1 A 78 78 HIS CB C 70 30.231 28.866 1.365 1
1 960 . 19 1 1 A 78 78 HIS N N 70 120.752 118.676 2.076 1
1 961 . 19 1 1 A 79 79 PHE H H 71 9.120 7.719 1.401 1
1 962 . 19 1 1 A 79 79 PHE HA H 71 4.797 4.794 0.003 1
1 967 . 19 1 1 A 79 79 PHE C C 71 174.341 173.835 0.506 1
1 968 . 19 1 1 A 79 79 PHE CA C 71 56.191 56.177 0.014 1
1 969 . 19 1 1 A 79 79 PHE CB C 71 40.983 39.578 1.405 1
1 970 . 19 1 1 A 79 79 PHE N N 71 124.577 118.900 5.677 1
1 971 . 19 1 1 A 80 80 TYR H H 72 8.883 8.876 0.007 1
1 972 . 19 1 1 A 80 80 TYR HA H 72 5.142 5.248 -0.106 1
1 979 . 19 1 1 A 80 80 TYR C C 72 175.115 173.742 1.373 1
1 980 . 19 1 1 A 80 80 TYR CA C 72 57.353 56.358 0.995 1
1 981 . 19 1 1 A 80 80 TYR CB C 72 39.753 41.922 -2.169 1
1 986 . 19 1 1 A 80 80 TYR N N 72 124.010 125.344 -1.334 1
1 987 . 19 1 1 A 81 81 MET H H 73 8.824 8.678 0.146 1
1 988 . 19 1 1 A 81 81 MET HA H 73 5.983 5.142 0.841 1
1 996 . 19 1 1 A 81 81 MET C C 73 175.053 174.740 0.313 1
1 997 . 19 1 1 A 81 81 MET CA C 73 54.453 53.650 0.803 1
1 998 . 19 1 1 A 81 81 MET CB C 73 38.584 36.016 2.568 1
1 1001 . 19 1 1 A 81 81 MET N N 73 120.151 124.586 -4.435 1
1 1002 . 19 1 1 A 82 82 LYS H H 74 9.103 8.840 0.263 1
1 1003 . 19 1 1 A 82 82 LYS HA H 74 4.800 4.904 -0.104 1
1 1012 . 19 1 1 A 82 82 LYS C C 74 174.244 175.933 -1.689 1
1 1013 . 19 1 1 A 82 82 LYS CA C 74 55.314 54.954 0.360 1
1 1014 . 19 1 1 A 82 82 LYS CB C 74 36.251 36.312 -0.061 1
1 1018 . 19 1 1 A 82 82 LYS N N 74 121.097 123.600 -2.503 1
1 1019 . 19 1 1 A 83 83 ALA H H 75 8.740 8.714 0.026 1
1 1020 . 19 1 1 A 83 83 ALA HA H 75 4.786 4.559 0.227 1
1 1024 . 19 1 1 A 83 83 ALA C C 75 177.126 178.291 -1.165 1
1 1025 . 19 1 1 A 83 83 ALA CA C 75 49.893 51.446 -1.553 1
1 1026 . 19 1 1 A 83 83 ALA CB C 75 21.311 19.682 1.629 1
1 1027 . 19 1 1 A 83 83 ALA N N 75 126.624 128.201 -1.577 1
1 1028 . 19 1 1 A 84 84 VAL H H 76 9.105 8.674 0.431 1
1 1029 . 19 1 1 A 84 84 VAL HA H 76 3.835 3.834 0.001 1
1 1037 . 19 1 1 A 84 84 VAL C C 76 175.635 176.034 -0.399 1
1 1038 . 19 1 1 A 84 84 VAL CA C 76 64.888 65.426 -0.538 1
1 1039 . 19 1 1 A 84 84 VAL CB C 76 32.097 32.194 -0.097 1
1 1042 . 19 1 1 A 84 84 VAL N N 76 115.195 118.877 -3.682 1
1 1043 . 19 1 1 A 85 85 ASN H H 77 7.278 8.070 -0.792 1
1 1044 . 19 1 1 A 85 85 ASN HA H 77 4.476 5.050 -0.574 1
1 1049 . 19 1 1 A 85 85 ASN C C 77 174.796 175.320 -0.524 1
1 1050 . 19 1 1 A 85 85 ASN CA C 77 52.193 51.384 0.809 1
1 1051 . 19 1 1 A 85 85 ASN CB C 77 39.702 40.873 -1.171 1
1 1052 . 19 1 1 A 85 85 ASN N N 77 109.430 115.373 -5.943 1
1 1054 . 19 1 1 A 86 86 ALA H H 78 8.681 8.906 -0.225 1
1 1055 . 19 1 1 A 86 86 ALA HA H 78 4.195 4.018 0.177 1
1 1059 . 19 1 1 A 86 86 ALA C C 78 180.157 179.985 0.172 1
1 1060 . 19 1 1 A 86 86 ALA CA C 78 54.919 55.542 -0.623 1
1 1061 . 19 1 1 A 86 86 ALA CB C 78 18.721 18.269 0.452 1
1 1062 . 19 1 1 A 86 86 ALA N N 78 121.886 122.381 -0.495 1
1 1063 . 19 1 1 A 87 87 ALA H H 79 8.386 8.221 0.165 1
1 1064 . 19 1 1 A 87 87 ALA HA H 79 4.200 4.007 0.193 1
1 1068 . 19 1 1 A 87 87 ALA C C 79 181.167 180.222 0.945 1
1 1069 . 19 1 1 A 87 87 ALA CA C 79 55.195 55.257 -0.062 1
1 1070 . 19 1 1 A 87 87 ALA CB C 79 17.663 18.447 -0.784 1
1 1071 . 19 1 1 A 87 87 ALA N N 79 123.939 119.901 4.038 1
1 1072 . 19 1 1 A 88 88 GLU H H 80 8.743 8.033 0.710 1
1 1073 . 19 1 1 A 88 88 GLU HA H 80 4.260 4.058 0.202 1
1 1078 . 19 1 1 A 88 88 GLU C C 80 178.848 179.341 -0.493 1
1 1079 . 19 1 1 A 88 88 GLU CA C 80 59.191 59.450 -0.259 1
1 1080 . 19 1 1 A 88 88 GLU CB C 80 29.898 29.211 0.687 1
1 1082 . 19 1 1 A 88 88 GLU N N 80 119.694 117.958 1.736 1
1 1083 . 19 1 1 A 89 89 ARG H H 81 7.936 8.164 -0.228 1
1 1084 . 19 1 1 A 89 89 ARG HA H 81 3.780 4.070 -0.290 1
1 1087 . 19 1 1 A 89 89 ARG C C 81 177.596 178.850 -1.254 1
1 1088 . 19 1 1 A 89 89 ARG CA C 81 61.042 59.355 1.687 1
1 1089 . 19 1 1 A 89 89 ARG CB C 81 29.630 29.887 -0.257 1
1 1090 . 19 1 1 A 89 89 ARG N N 81 119.080 121.077 -1.997 1
1 1091 . 19 1 1 A 90 90 GLN H H 82 8.063 7.919 0.144 1
1 1092 . 19 1 1 A 90 90 GLN HA H 82 4.039 4.042 -0.003 1
1 1099 . 19 1 1 A 90 90 GLN C C 82 177.419 178.271 -0.852 1
1 1100 . 19 1 1 A 90 90 GLN CA C 82 59.069 59.064 0.005 1
1 1101 . 19 1 1 A 90 90 GLN CB C 82 27.786 28.256 -0.470 1
1 1103 . 19 1 1 A 90 90 GLN N N 82 118.390 118.480 -0.090 1
1 1105 . 19 1 1 A 91 91 ARG H H 83 7.700 7.482 0.218 1
1 1106 . 19 1 1 A 91 91 ARG HA H 83 3.961 3.976 -0.015 1
1 1114 . 19 1 1 A 91 91 ARG C C 83 180.016 178.957 1.059 1
1 1115 . 19 1 1 A 91 91 ARG CA C 83 59.750 59.563 0.187 1
1 1116 . 19 1 1 A 91 91 ARG CB C 83 30.401 29.705 0.696 1
1 1119 . 19 1 1 A 91 91 ARG N N 83 117.912 118.662 -0.750 1
1 1121 . 19 1 1 A 92 92 TRP H H 84 7.895 7.687 0.208 1
1 1122 . 19 1 1 A 92 92 TRP HA H 84 4.115 4.470 -0.355 1
1 1130 . 19 1 1 A 92 92 TRP C C 84 178.111 179.170 -1.059 1
1 1131 . 19 1 1 A 92 92 TRP CA C 84 61.633 59.801 1.832 1
1 1132 . 19 1 1 A 92 92 TRP CB C 84 29.032 29.346 -0.314 1
1 1137 . 19 1 1 A 92 92 TRP N N 84 119.237 121.022 -1.785 1
1 1139 . 19 1 1 A 93 93 LEU H H 85 8.988 8.725 0.263 1
1 1140 . 19 1 1 A 93 93 LEU HA H 85 3.978 3.996 -0.018 1
1 1150 . 19 1 1 A 93 93 LEU C C 85 180.925 179.637 1.288 1
1 1151 . 19 1 1 A 93 93 LEU CA C 85 58.716 57.878 0.838 1
1 1152 . 19 1 1 A 93 93 LEU CB C 85 41.506 41.293 0.213 1
1 1156 . 19 1 1 A 93 93 LEU N N 85 119.853 120.192 -0.339 1
1 1157 . 19 1 1 A 94 94 VAL H H 86 8.233 8.233 0.000 1
1 1158 . 19 1 1 A 94 94 VAL HA H 86 3.695 3.533 0.162 1
1 1166 . 19 1 1 A 94 94 VAL C C 86 178.733 177.903 0.830 1
1 1167 . 19 1 1 A 94 94 VAL CA C 86 66.250 66.579 -0.329 1
1 1168 . 19 1 1 A 94 94 VAL CB C 86 31.886 31.537 0.349 1
1 1171 . 19 1 1 A 94 94 VAL N N 86 120.164 119.783 0.381 1
1 1172 . 19 1 1 A 95 95 ALA H H 87 7.345 7.641 -0.296 1
1 1173 . 19 1 1 A 95 95 ALA HA H 87 4.113 4.029 0.084 1
1 1177 . 19 1 1 A 95 95 ALA C C 87 180.055 180.414 -0.359 1
1 1178 . 19 1 1 A 95 95 ALA CA C 87 55.410 55.380 0.030 1
1 1179 . 19 1 1 A 95 95 ALA CB C 87 18.816 18.540 0.276 1
1 1180 . 19 1 1 A 95 95 ALA N N 87 123.818 121.603 2.215 1
1 1181 . 19 1 1 A 96 96 LEU H H 88 9.342 8.802 0.540 1
1 1182 . 19 1 1 A 96 96 LEU HA H 88 4.003 3.947 0.056 1
1 1192 . 19 1 1 A 96 96 LEU C C 88 179.349 179.440 -0.091 1
1 1193 . 19 1 1 A 96 96 LEU CA C 88 57.786 58.248 -0.462 1
1 1194 . 19 1 1 A 96 96 LEU CB C 88 41.848 41.780 0.068 1
1 1198 . 19 1 1 A 96 96 LEU N N 88 117.857 118.435 -0.578 1
1 1199 . 19 1 1 A 97 97 GLY H H 89 8.252 8.380 -0.128 1
1 1200 . 19 1 1 A 97 97 GLY HA2 H 89 3.819 3.878 -0.059 1
1 1201 . 19 1 1 A 97 97 GLY HA3 H 89 3.948 3.880 0.068 1
1 1202 . 19 1 1 A 97 97 GLY C C 89 176.463 175.933 0.530 1
1 1203 . 19 1 1 A 97 97 GLY CA C 89 46.620 47.317 -0.697 1
1 1204 . 19 1 1 A 97 97 GLY N N 89 105.618 105.923 -0.305 1
1 1205 . 19 1 1 A 98 98 SER H H 90 8.068 8.249 -0.181 1
1 1206 . 19 1 1 A 98 98 SER HA H 90 4.377 4.149 0.228 1
1 1209 . 19 1 1 A 98 98 SER C C 90 176.144 177.011 -0.867 1
1 1210 . 19 1 1 A 98 98 SER CA C 90 60.842 61.417 -0.575 1
1 1211 . 19 1 1 A 98 98 SER CB C 90 63.116 62.803 0.313 1
1 1212 . 19 1 1 A 98 98 SER N N 90 117.602 117.429 0.173 1
1 1213 . 19 1 1 A 99 99 SER H H 91 8.036 7.845 0.191 1
1 1214 . 19 1 1 A 99 99 SER HA H 91 4.324 4.190 0.134 1
1 1217 . 19 1 1 A 99 99 SER C C 91 175.818 177.347 -1.529 1
1 1218 . 19 1 1 A 99 99 SER CA C 91 60.720 61.385 -0.665 1
1 1219 . 19 1 1 A 99 99 SER CB C 91 63.831 62.928 0.903 1
1 1220 . 19 1 1 A 99 99 SER N N 91 116.877 115.726 1.151 1
1 1221 . 19 1 1 A 100 100 LYS H H 92 7.838 7.776 0.062 1
1 1222 . 19 1 1 A 100 100 LYS HA H 92 4.068 4.046 0.022 1
1 1231 . 19 1 1 A 100 100 LYS C C 92 177.235 177.866 -0.631 1
1 1232 . 19 1 1 A 100 100 LYS CA C 92 58.121 59.111 -0.990 1
1 1233 . 19 1 1 A 100 100 LYS CB C 92 32.263 32.006 0.257 1
1 1237 . 19 1 1 A 100 100 LYS N N 92 119.456 121.788 -2.332 1
1 1238 . 19 1 1 A 101 101 ALA H H 93 7.924 7.648 0.276 1
1 1239 . 19 1 1 A 101 101 ALA HA H 93 4.321 4.399 -0.078 1
1 1243 . 19 1 1 A 101 101 ALA C C 93 178.323 177.741 0.582 1
1 1244 . 19 1 1 A 101 101 ALA CA C 93 53.435 52.496 0.939 1
1 1245 . 19 1 1 A 101 101 ALA CB C 93 18.969 18.577 0.392 1
1 1246 . 19 1 1 A 101 101 ALA N N 93 122.054 120.365 1.689 1
1 1247 . 19 1 1 A 102 102 SER H H 94 8.061 8.249 -0.188 1
1 1248 . 19 1 1 A 102 102 SER HA H 94 4.451 4.174 0.277 1
1 1251 . 19 1 1 A 102 102 SER C C 94 174.773 172.871 1.902 1
1 1252 . 19 1 1 A 102 102 SER CA C 94 59.086 58.805 0.281 1
1 1253 . 19 1 1 A 102 102 SER CB C 94 63.766 61.810 1.956 1
1 1254 . 19 1 1 A 102 102 SER N N 94 114.102 114.809 -0.707 1
1 1255 . 19 1 1 A 103 103 LEU H H 95 8.053 7.934 0.119 1
1 1256 . 19 1 1 A 103 103 LEU HA H 95 4.507 5.254 -0.747 1
1 1266 . 19 1 1 A 103 103 LEU C C 95 177.589 175.834 1.755 1
1 1267 . 19 1 1 A 103 103 LEU CA C 95 55.398 53.581 1.817 1
1 1268 . 19 1 1 A 103 103 LEU CB C 95 42.435 45.977 -3.542 1
1 1272 . 19 1 1 A 103 103 LEU N N 95 123.264 122.536 0.728 1
1 1273 . 19 1 1 A 104 104 THR H H 96 8.045 8.476 -0.431 1
1 1274 . 19 1 1 A 104 104 THR HA H 96 4.383 4.400 -0.017 1
1 1279 . 19 1 1 A 104 104 THR C C 96 174.128 174.042 0.086 1
1 1280 . 19 1 1 A 104 104 THR CA C 96 61.982 61.477 0.505 1
1 1281 . 19 1 1 A 104 104 THR CB C 96 69.938 69.675 0.263 1
1 1283 . 19 1 1 A 104 104 THR N N 96 113.833 115.902 -2.069 1
1 1284 . 19 1 1 A 105 105 ASP H H 97 8.346 8.721 -0.375 1
1 1285 . 19 1 1 A 105 105 ASP HA H 97 4.740 4.555 0.185 1
1 1288 . 19 1 1 A 105 105 ASP C C 97 176.310 175.095 1.215 1
1 1289 . 19 1 1 A 105 105 ASP CA C 97 54.300 54.737 -0.437 1
1 1290 . 19 1 1 A 105 105 ASP CB C 97 41.174 40.637 0.537 1
1 1291 . 19 1 1 A 105 105 ASP N N 97 123.107 120.613 2.494 1
1 1292 . 19 1 1 A 106 106 THR H H 98 8.147 8.365 -0.218 1
1 1293 . 19 1 1 A 106 106 THR HA H 98 4.355 4.619 -0.264 1
1 1298 . 19 1 1 A 106 106 THR C C 98 174.523 174.501 0.022 1
1 1299 . 19 1 1 A 106 106 THR CA C 98 61.937 61.153 0.784 1
1 1300 . 19 1 1 A 106 106 THR CB C 98 69.656 69.185 0.471 1
1 1302 . 19 1 1 A 106 106 THR N N 98 114.857 113.335 1.522 1
1 1303 . 19 1 1 A 107 107 ARG H H 99 8.385 8.688 -0.303 1
1 1304 . 19 1 1 A 107 107 ARG HA H 99 4.442 4.310 0.132 1
1 1312 . 19 1 1 A 107 107 ARG C C 99 175.764 176.962 -1.198 1
1 1313 . 19 1 1 A 107 107 ARG CA C 99 56.311 56.005 0.306 1
1 1314 . 19 1 1 A 107 107 ARG CB C 99 30.745 31.142 -0.397 1
1 1317 . 19 1 1 A 107 107 ARG N N 99 123.999 126.225 -2.226 1
1 1 . 20 1 1 A 2 2 PRO HA H -6 4.460 4.498 -0.038 1
1 8 . 20 1 1 A 2 2 PRO C C -6 176.875 176.154 0.721 1
1 9 . 20 1 1 A 2 2 PRO CA C -6 63.159 62.877 0.282 1
1 10 . 20 1 1 A 2 2 PRO CB C -6 32.292 31.933 0.359 1
1 13 . 20 1 1 A 3 3 LEU H H -5 8.483 8.449 0.034 1
1 14 . 20 1 1 A 3 3 LEU HA H -5 4.334 4.357 -0.023 1
1 24 . 20 1 1 A 3 3 LEU C C -5 177.797 177.787 0.010 1
1 25 . 20 1 1 A 3 3 LEU CA C -5 55.474 54.969 0.505 1
1 26 . 20 1 1 A 3 3 LEU CB C -5 42.239 40.838 1.401 1
1 30 . 20 1 1 A 3 3 LEU N N -5 122.315 123.436 -1.121 1
1 31 . 20 1 1 A 4 4 GLY H H -4 8.393 8.810 -0.417 1
1 32 . 20 1 1 A 4 4 GLY HA2 H -4 3.978 3.958 0.020 1
1 33 . 20 1 1 A 4 4 GLY HA3 H -4 3.978 3.959 0.019 1
1 34 . 20 1 1 A 4 4 GLY C C -4 173.730 173.592 0.138 1
1 35 . 20 1 1 A 4 4 GLY CA C -4 45.158 46.252 -1.094 1
1 36 . 20 1 1 A 4 4 GLY N N -4 109.911 115.564 -5.653 1
1 37 . 20 1 1 A 5 5 SER H H -3 8.162 8.288 -0.126 1
1 38 . 20 1 1 A 5 5 SER HA H -3 4.764 4.795 -0.031 1
1 41 . 20 1 1 A 5 5 SER CA C -3 56.323 59.317 -2.994 1
1 42 . 20 1 1 A 5 5 SER CB C -3 63.515 65.403 -1.888 1
1 43 . 20 1 1 A 5 5 SER N N -3 116.873 117.039 -0.166 1
1 44 . 20 1 1 A 6 6 PRO HA H -2 4.399 4.458 -0.059 1
1 47 . 20 1 1 A 6 6 PRO C C -2 176.587 175.706 0.881 1
1 48 . 20 1 1 A 6 6 PRO CA C -2 63.552 63.437 0.115 1
1 49 . 20 1 1 A 6 6 PRO CB C -2 31.997 31.801 0.196 1
1 50 . 20 1 1 A 7 7 GLU H H -1 8.364 8.693 -0.329 1
1 51 . 20 1 1 A 7 7 GLU HA H -1 4.285 4.696 -0.411 1
1 56 . 20 1 1 A 7 7 GLU C C -1 174.954 175.121 -0.167 1
1 57 . 20 1 1 A 7 7 GLU CA C -1 56.486 55.092 1.394 1
1 58 . 20 1 1 A 7 7 GLU CB C -1 29.924 28.879 1.045 1
1 60 . 20 1 1 A 7 7 GLU N N -1 119.665 123.439 -3.774 1
1 61 . 20 1 1 A 8 8 PHE H H 0 7.872 8.972 -1.100 1
1 62 . 20 1 1 A 8 8 PHE HA H 0 5.204 5.582 -0.378 1
1 67 . 20 1 1 A 8 8 PHE C C 0 174.670 173.555 1.115 1
1 68 . 20 1 1 A 8 8 PHE CA C 0 56.861 56.208 0.653 1
1 69 . 20 1 1 A 8 8 PHE CB C 0 41.874 42.395 -0.521 1
1 72 . 20 1 1 A 8 8 PHE N N 0 122.497 126.380 -3.883 1
1 73 . 20 1 1 A 9 9 MET H H 1 7.833 8.292 -0.459 1
1 74 . 20 1 1 A 9 9 MET HA H 1 4.095 4.706 -0.611 1
1 82 . 20 1 1 A 9 9 MET C C 1 171.191 173.955 -2.764 1
1 83 . 20 1 1 A 9 9 MET CA C 1 54.613 53.710 0.903 1
1 84 . 20 1 1 A 9 9 MET CB C 1 34.867 35.440 -0.573 1
1 87 . 20 1 1 A 9 9 MET N N 1 127.163 127.500 -0.337 1
1 88 . 20 1 1 A 10 10 GLU H H 2 7.698 8.658 -0.960 1
1 89 . 20 1 1 A 10 10 GLU HA H 2 5.603 4.998 0.605 1
1 94 . 20 1 1 A 10 10 GLU C C 2 174.743 174.512 0.231 1
1 95 . 20 1 1 A 10 10 GLU CA C 2 53.345 54.201 -0.856 1
1 96 . 20 1 1 A 10 10 GLU CB C 2 32.408 33.745 -1.337 1
1 98 . 20 1 1 A 10 10 GLU N N 2 118.654 122.035 -3.381 1
1 99 . 20 1 1 A 11 11 GLY H H 3 7.994 7.362 0.632 1
1 100 . 20 1 1 A 11 11 GLY HA2 H 3 3.115 3.660 -0.545 1
1 101 . 20 1 1 A 11 11 GLY HA3 H 3 4.377 4.154 0.223 1
1 102 . 20 1 1 A 11 11 GLY C C 3 170.878 171.643 -0.765 1
1 103 . 20 1 1 A 11 11 GLY CA C 3 45.086 44.748 0.338 1
1 104 . 20 1 1 A 11 11 GLY N N 3 108.296 106.330 1.966 1
1 105 . 20 1 1 A 12 12 VAL H H 4 8.463 8.465 -0.002 1
1 106 . 20 1 1 A 12 12 VAL HA H 4 4.969 5.465 -0.496 1
1 114 . 20 1 1 A 12 12 VAL C C 4 177.805 174.334 3.471 1
1 115 . 20 1 1 A 12 12 VAL CA C 4 62.373 59.097 3.276 1
1 116 . 20 1 1 A 12 12 VAL CB C 4 33.152 35.641 -2.489 1
1 119 . 20 1 1 A 12 12 VAL N N 4 119.624 116.837 2.787 1
1 120 . 20 1 1 A 13 13 LEU H H 5 8.647 9.308 -0.661 1
1 121 . 20 1 1 A 13 13 LEU HA H 5 4.382 4.859 -0.477 1
1 131 . 20 1 1 A 13 13 LEU C C 5 175.407 175.604 -0.197 1
1 132 . 20 1 1 A 13 13 LEU CA C 5 54.139 53.570 0.569 1
1 133 . 20 1 1 A 13 13 LEU CB C 5 46.374 45.375 0.999 1
1 137 . 20 1 1 A 13 13 LEU N N 5 125.806 122.803 3.003 1
1 138 . 20 1 1 A 14 14 TYR H H 6 9.007 9.004 0.003 1
1 139 . 20 1 1 A 14 14 TYR HA H 6 5.026 5.199 -0.173 1
1 144 . 20 1 1 A 14 14 TYR C C 6 175.047 174.612 0.435 1
1 145 . 20 1 1 A 14 14 TYR CA C 6 57.484 58.960 -1.476 1
1 146 . 20 1 1 A 14 14 TYR CB C 6 39.400 38.741 0.659 1
1 147 . 20 1 1 A 14 14 TYR N N 6 118.975 124.495 -5.520 1
1 148 . 20 1 1 A 15 15 LYS H H 7 9.549 8.972 0.577 1
1 149 . 20 1 1 A 15 15 LYS HA H 7 5.467 4.839 0.628 1
1 158 . 20 1 1 A 15 15 LYS C C 7 175.772 175.463 0.309 1
1 159 . 20 1 1 A 15 15 LYS CA C 7 54.136 54.665 -0.529 1
1 160 . 20 1 1 A 15 15 LYS CB C 7 37.043 34.773 2.270 1
1 164 . 20 1 1 A 15 15 LYS N N 7 123.867 128.224 -4.357 1
1 165 . 20 1 1 A 16 16 TRP H H 8 8.355 8.697 -0.342 1
1 166 . 20 1 1 A 16 16 TRP HA H 8 3.893 4.625 -0.732 1
1 175 . 20 1 1 A 16 16 TRP C C 8 176.038 176.148 -0.110 1
1 176 . 20 1 1 A 16 16 TRP CA C 8 57.880 56.824 1.056 1
1 177 . 20 1 1 A 16 16 TRP CB C 8 29.347 30.197 -0.850 1
1 183 . 20 1 1 A 16 16 TRP N N 8 129.111 129.657 -0.546 1
1 185 . 20 1 1 A 17 17 THR H H 9 6.754 8.484 -1.730 1
1 186 . 20 1 1 A 17 17 THR HA H 9 4.127 4.337 -0.210 1
1 191 . 20 1 1 A 17 17 THR C C 9 172.153 174.039 -1.886 1
1 192 . 20 1 1 A 17 17 THR CA C 9 61.413 61.950 -0.537 1
1 193 . 20 1 1 A 17 17 THR CB C 9 69.317 69.131 0.186 1
1 195 . 20 1 1 A 17 17 THR N N 9 121.030 118.532 2.498 1
1 196 . 20 1 1 A 18 18 ASN H H 10 7.418 6.968 0.450 1
1 197 . 20 1 1 A 18 18 ASN HA H 10 4.051 5.000 -0.949 1
1 202 . 20 1 1 A 18 18 ASN C C 10 174.308 174.996 -0.688 1
1 203 . 20 1 1 A 18 18 ASN CA C 10 52.089 51.362 0.727 1
1 204 . 20 1 1 A 18 18 ASN CB C 10 39.339 42.319 -2.980 1
1 205 . 20 1 1 A 18 18 ASN N N 10 115.655 116.776 -1.121 1
1 207 . 20 1 1 A 19 19 TYR H H 11 8.348 9.174 -0.826 1
1 208 . 20 1 1 A 19 19 TYR HA H 11 4.284 4.332 -0.048 1
1 215 . 20 1 1 A 19 19 TYR C C 11 175.974 177.347 -1.373 1
1 216 . 20 1 1 A 19 19 TYR CA C 11 60.774 60.195 0.579 1
1 217 . 20 1 1 A 19 19 TYR CB C 11 37.815 38.160 -0.345 1
1 222 . 20 1 1 A 19 19 TYR N N 11 115.508 120.874 -5.366 1
1 223 . 20 1 1 A 20 20 LEU H H 12 7.827 7.591 0.236 1
1 224 . 20 1 1 A 20 20 LEU HA H 12 4.091 3.855 0.236 1
1 234 . 20 1 1 A 20 20 LEU C C 12 178.711 179.001 -0.290 1
1 235 . 20 1 1 A 20 20 LEU CA C 12 56.966 57.547 -0.581 1
1 236 . 20 1 1 A 20 20 LEU CB C 12 41.922 41.691 0.231 1
1 240 . 20 1 1 A 20 20 LEU N N 12 120.867 122.013 -1.146 1
1 241 . 20 1 1 A 21 21 THR H H 13 7.651 7.724 -0.073 1
1 242 . 20 1 1 A 21 21 THR HA H 13 4.162 4.280 -0.118 1
1 247 . 20 1 1 A 21 21 THR C C 13 175.842 174.696 1.146 1
1 248 . 20 1 1 A 21 21 THR CA C 13 62.159 62.426 -0.267 1
1 249 . 20 1 1 A 21 21 THR CB C 13 69.191 70.248 -1.057 1
1 251 . 20 1 1 A 21 21 THR N N 13 108.304 107.229 1.075 1
1 252 . 20 1 1 A 22 22 GLY H H 14 7.679 8.172 -0.493 1
1 253 . 20 1 1 A 22 22 GLY HA2 H 14 2.802 3.920 -1.118 1
1 254 . 20 1 1 A 22 22 GLY HA3 H 14 3.715 4.036 -0.321 1
1 255 . 20 1 1 A 22 22 GLY C C 14 175.108 173.171 1.937 1
1 256 . 20 1 1 A 22 22 GLY CA C 14 46.131 46.344 -0.213 1
1 257 . 20 1 1 A 22 22 GLY N N 14 109.901 110.156 -0.255 1
1 258 . 20 1 1 A 23 23 TRP H H 15 8.817 8.265 0.552 1
1 259 . 20 1 1 A 23 23 TRP HA H 15 4.724 5.487 -0.763 1
1 268 . 20 1 1 A 23 23 TRP C C 15 176.569 173.949 2.620 1
1 269 . 20 1 1 A 23 23 TRP CA C 15 56.897 55.336 1.561 1
1 270 . 20 1 1 A 23 23 TRP CB C 15 29.825 33.441 -3.616 1
1 275 . 20 1 1 A 23 23 TRP N N 15 126.927 122.002 4.925 1
1 277 . 20 1 1 A 24 24 GLN H H 16 8.931 8.730 0.201 1
1 278 . 20 1 1 A 24 24 GLN HA H 16 5.186 4.382 0.804 1
1 285 . 20 1 1 A 24 24 GLN CA C 16 52.369 51.782 0.587 1
1 286 . 20 1 1 A 24 24 GLN CB C 16 31.536 30.596 0.940 1
1 288 . 20 1 1 A 24 24 GLN N N 16 122.710 119.840 2.870 1
1 290 . 20 1 1 A 25 25 PRO HA H 17 4.206 5.006 -0.800 1
1 297 . 20 1 1 A 25 25 PRO C C 17 176.918 175.740 1.178 1
1 298 . 20 1 1 A 25 25 PRO CA C 17 62.894 63.011 -0.117 1
1 299 . 20 1 1 A 25 25 PRO CB C 17 31.444 31.747 -0.303 1
1 302 . 20 1 1 A 26 26 ARG H H 18 9.041 8.792 0.249 1
1 303 . 20 1 1 A 26 26 ARG HA H 18 4.857 4.915 -0.058 1
1 310 . 20 1 1 A 26 26 ARG C C 18 173.102 175.430 -2.328 1
1 311 . 20 1 1 A 26 26 ARG CA C 18 53.273 54.945 -1.672 1
1 312 . 20 1 1 A 26 26 ARG CB C 18 34.254 33.216 1.038 1
1 315 . 20 1 1 A 26 26 ARG N N 18 123.602 123.017 0.585 1
1 316 . 20 1 1 A 27 27 TRP H H 19 8.375 8.630 -0.255 1
1 317 . 20 1 1 A 27 27 TRP HA H 19 5.077 5.300 -0.223 1
1 326 . 20 1 1 A 27 27 TRP C C 19 174.728 174.882 -0.154 1
1 327 . 20 1 1 A 27 27 TRP CA C 19 56.157 56.665 -0.508 1
1 328 . 20 1 1 A 27 27 TRP CB C 19 31.116 32.087 -0.971 1
1 334 . 20 1 1 A 27 27 TRP N N 19 121.669 127.451 -5.782 1
1 336 . 20 1 1 A 28 28 PHE H H 20 9.016 9.042 -0.026 1
1 337 . 20 1 1 A 28 28 PHE HA H 20 5.385 5.451 -0.066 1
1 345 . 20 1 1 A 28 28 PHE C C 20 174.685 174.470 0.215 1
1 346 . 20 1 1 A 28 28 PHE CA C 20 56.699 56.226 0.473 1
1 347 . 20 1 1 A 28 28 PHE CB C 20 43.155 43.354 -0.199 1
1 353 . 20 1 1 A 28 28 PHE N N 20 128.520 125.571 2.949 1
1 354 . 20 1 1 A 29 29 VAL H H 21 9.058 9.381 -0.323 1
1 355 . 20 1 1 A 29 29 VAL HA H 21 4.681 5.092 -0.411 1
1 363 . 20 1 1 A 29 29 VAL C C 21 174.804 173.937 0.867 1
1 364 . 20 1 1 A 29 29 VAL CA C 21 61.719 59.615 2.104 1
1 365 . 20 1 1 A 29 29 VAL CB C 21 36.416 35.654 0.762 1
1 368 . 20 1 1 A 29 29 VAL N N 21 117.562 116.894 0.668 1
1 369 . 20 1 1 A 30 30 LEU H H 22 9.543 9.195 0.348 1
1 370 . 20 1 1 A 30 30 LEU HA H 22 5.311 5.167 0.144 1
1 380 . 20 1 1 A 30 30 LEU C C 22 173.506 174.796 -1.290 1
1 381 . 20 1 1 A 30 30 LEU CA C 22 53.213 54.013 -0.800 1
1 382 . 20 1 1 A 30 30 LEU CB C 22 44.939 44.112 0.827 1
1 386 . 20 1 1 A 30 30 LEU N N 22 131.939 127.406 4.533 1
1 387 . 20 1 1 A 31 31 ASP H H 23 8.513 9.543 -1.030 1
1 388 . 20 1 1 A 31 31 ASP HA H 23 5.151 5.231 -0.080 1
1 391 . 20 1 1 A 31 31 ASP C C 23 176.940 175.681 1.259 1
1 392 . 20 1 1 A 31 31 ASP CA C 23 53.671 53.207 0.464 1
1 393 . 20 1 1 A 31 31 ASP CB C 23 43.770 43.009 0.761 1
1 394 . 20 1 1 A 31 31 ASP N N 23 121.978 126.023 -4.045 1
1 395 . 20 1 1 A 32 32 ASN H H 24 9.280 9.091 0.189 1
1 396 . 20 1 1 A 32 32 ASN HA H 24 4.421 4.401 0.020 1
1 401 . 20 1 1 A 32 32 ASN C C 24 175.044 174.494 0.550 1
1 402 . 20 1 1 A 32 32 ASN CA C 24 54.362 54.094 0.268 1
1 403 . 20 1 1 A 32 32 ASN CB C 24 37.804 37.610 0.194 1
1 404 . 20 1 1 A 32 32 ASN N N 24 125.653 125.370 0.283 1
1 406 . 20 1 1 A 33 33 GLY H H 25 8.997 8.453 0.544 1
1 407 . 20 1 1 A 33 33 GLY HA2 H 25 3.581 3.850 -0.269 1
1 408 . 20 1 1 A 33 33 GLY HA3 H 25 4.154 3.852 0.302 1
1 409 . 20 1 1 A 33 33 GLY C C 25 173.215 173.653 -0.438 1
1 410 . 20 1 1 A 33 33 GLY CA C 25 45.930 45.544 0.386 1
1 411 . 20 1 1 A 33 33 GLY N N 25 102.623 105.152 -2.529 1
1 412 . 20 1 1 A 34 34 ILE H H 26 7.955 7.958 -0.003 1
1 413 . 20 1 1 A 34 34 ILE HA H 26 4.771 4.508 0.263 1
1 423 . 20 1 1 A 34 34 ILE C C 26 174.753 173.719 1.034 1
1 424 . 20 1 1 A 34 34 ILE CA C 26 59.201 60.248 -1.047 1
1 425 . 20 1 1 A 34 34 ILE CB C 26 39.393 40.646 -1.253 1
1 429 . 20 1 1 A 34 34 ILE N N 26 122.350 123.084 -0.734 1
1 430 . 20 1 1 A 35 35 LEU H H 27 9.274 9.158 0.116 1
1 431 . 20 1 1 A 35 35 LEU HA H 27 5.441 5.337 0.104 1
1 441 . 20 1 1 A 35 35 LEU C C 27 175.131 175.732 -0.601 1
1 442 . 20 1 1 A 35 35 LEU CA C 27 53.160 53.586 -0.426 1
1 443 . 20 1 1 A 35 35 LEU CB C 27 44.532 44.626 -0.094 1
1 447 . 20 1 1 A 35 35 LEU N N 27 132.013 131.039 0.974 1
1 448 . 20 1 1 A 36 36 SER H H 28 9.668 9.318 0.350 1
1 449 . 20 1 1 A 36 36 SER HA H 28 5.379 5.552 -0.173 1
1 452 . 20 1 1 A 36 36 SER C C 28 171.968 173.632 -1.664 1
1 453 . 20 1 1 A 36 36 SER CA C 28 57.345 55.810 1.535 1
1 454 . 20 1 1 A 36 36 SER CB C 28 66.044 66.247 -0.203 1
1 455 . 20 1 1 A 36 36 SER N N 28 123.682 121.615 2.067 1
1 456 . 20 1 1 A 37 37 TYR H H 29 7.452 8.614 -1.162 1
1 457 . 20 1 1 A 37 37 TYR HA H 29 5.658 5.649 0.009 1
1 464 . 20 1 1 A 37 37 TYR C C 29 172.731 173.307 -0.576 1
1 465 . 20 1 1 A 37 37 TYR CA C 29 54.632 54.938 -0.306 1
1 466 . 20 1 1 A 37 37 TYR CB C 29 39.599 41.700 -2.101 1
1 471 . 20 1 1 A 37 37 TYR N N 29 115.554 118.487 -2.933 1
1 472 . 20 1 1 A 38 38 TYR H H 30 9.116 9.243 -0.127 1
1 473 . 20 1 1 A 38 38 TYR HA H 30 4.626 4.871 -0.245 1
1 480 . 20 1 1 A 38 38 TYR C C 30 175.771 175.176 0.595 1
1 481 . 20 1 1 A 38 38 TYR CA C 30 56.194 56.673 -0.479 1
1 482 . 20 1 1 A 38 38 TYR CB C 30 43.253 43.081 0.172 1
1 487 . 20 1 1 A 38 38 TYR N N 30 117.937 119.127 -1.190 1
1 488 . 20 1 1 A 39 39 ASP H H 31 9.474 9.803 -0.329 1
1 489 . 20 1 1 A 39 39 ASP HA H 31 4.624 4.590 0.034 1
1 492 . 20 1 1 A 39 39 ASP C C 31 176.264 176.037 0.227 1
1 493 . 20 1 1 A 39 39 ASP CA C 31 58.144 56.392 1.752 1
1 494 . 20 1 1 A 39 39 ASP CB C 31 40.399 41.599 -1.200 1
1 495 . 20 1 1 A 39 39 ASP N N 31 121.988 122.075 -0.087 1
1 496 . 20 1 1 A 40 40 SER H H 32 7.511 7.937 -0.426 1
1 497 . 20 1 1 A 40 40 SER HA H 32 4.567 4.555 0.012 1
1 500 . 20 1 1 A 40 40 SER C C 32 173.752 173.939 -0.187 1
1 501 . 20 1 1 A 40 40 SER CA C 32 57.211 56.962 0.249 1
1 502 . 20 1 1 A 40 40 SER CB C 32 65.547 64.774 0.773 1
1 503 . 20 1 1 A 40 40 SER N N 32 107.441 109.245 -1.804 1
1 504 . 20 1 1 A 41 41 GLN H H 33 8.828 8.175 0.653 1
1 505 . 20 1 1 A 41 41 GLN HA H 33 2.511 2.888 -0.377 1
1 512 . 20 1 1 A 41 41 GLN C C 33 177.001 176.305 0.696 1
1 513 . 20 1 1 A 41 41 GLN CA C 33 58.261 58.678 -0.417 1
1 514 . 20 1 1 A 41 41 GLN CB C 33 27.168 28.308 -1.140 1
1 516 . 20 1 1 A 41 41 GLN N N 33 123.170 120.173 2.997 1
1 518 . 20 1 1 A 42 42 ASP H H 34 7.774 7.953 -0.179 1
1 519 . 20 1 1 A 42 42 ASP HA H 34 4.289 4.248 0.041 1
1 522 . 20 1 1 A 42 42 ASP C C 34 176.567 177.948 -1.381 1
1 523 . 20 1 1 A 42 42 ASP CA C 34 55.710 57.078 -1.368 1
1 524 . 20 1 1 A 42 42 ASP CB C 34 40.459 41.179 -0.720 1
1 525 . 20 1 1 A 42 42 ASP N N 34 116.558 119.912 -3.354 1
1 526 . 20 1 1 A 43 43 ASP H H 35 7.388 7.908 -0.520 1
1 527 . 20 1 1 A 43 43 ASP HA H 35 4.755 4.359 0.396 1
1 530 . 20 1 1 A 43 43 ASP C C 35 177.129 177.906 -0.777 1
1 531 . 20 1 1 A 43 43 ASP CA C 35 54.563 55.675 -1.112 1
1 532 . 20 1 1 A 43 43 ASP CB C 35 42.434 40.640 1.794 1
1 533 . 20 1 1 A 43 43 ASP N N 35 117.173 119.318 -2.145 1
1 534 . 20 1 1 A 44 44 VAL H H 36 7.063 7.241 -0.178 1
1 535 . 20 1 1 A 44 44 VAL HA H 36 3.372 2.032 1.340 1
1 543 . 20 1 1 A 44 44 VAL C C 36 178.169 176.885 1.284 1
1 544 . 20 1 1 A 44 44 VAL CA C 36 65.325 65.640 -0.315 1
1 545 . 20 1 1 A 44 44 VAL CB C 36 31.179 31.207 -0.028 1
1 548 . 20 1 1 A 44 44 VAL N N 36 121.695 118.467 3.228 1
1 549 . 20 1 1 A 45 45 CYS H H 37 8.133 7.495 0.638 1
1 550 . 20 1 1 A 45 45 CYS HA H 37 4.425 4.236 0.189 1
1 553 . 20 1 1 A 45 45 CYS C C 37 175.083 176.068 -0.985 1
1 554 . 20 1 1 A 45 45 CYS CA C 37 59.202 61.312 -2.110 1
1 555 . 20 1 1 A 45 45 CYS CB C 37 27.101 27.576 -0.475 1
1 556 . 20 1 1 A 45 45 CYS N N 37 115.191 117.911 -2.720 1
1 557 . 20 1 1 A 46 46 LYS H H 38 7.844 7.455 0.389 1
1 558 . 20 1 1 A 46 46 LYS HA H 38 4.428 4.152 0.276 1
1 567 . 20 1 1 A 46 46 LYS C C 38 177.049 177.294 -0.245 1
1 568 . 20 1 1 A 46 46 LYS CA C 38 56.787 58.305 -1.518 1
1 569 . 20 1 1 A 46 46 LYS CB C 38 33.119 32.532 0.587 1
1 573 . 20 1 1 A 46 46 LYS N N 38 121.496 116.926 4.570 1
1 574 . 20 1 1 A 47 47 GLY H H 39 7.759 7.955 -0.196 1
1 575 . 20 1 1 A 47 47 GLY HA2 H 39 4.022 4.075 -0.053 1
1 576 . 20 1 1 A 47 47 GLY HA3 H 39 4.542 4.213 0.329 1
1 577 . 20 1 1 A 47 47 GLY C C 39 173.037 173.254 -0.217 1
1 578 . 20 1 1 A 47 47 GLY CA C 39 44.261 44.363 -0.102 1
1 579 . 20 1 1 A 47 47 GLY N N 39 107.270 108.633 -1.363 1
1 580 . 20 1 1 A 48 48 SER H H 40 8.478 8.413 0.065 1
1 581 . 20 1 1 A 48 48 SER HA H 40 3.783 5.066 -1.283 1
1 584 . 20 1 1 A 48 48 SER C C 40 175.221 174.993 0.228 1
1 585 . 20 1 1 A 48 48 SER CA C 40 57.947 56.821 1.126 1
1 586 . 20 1 1 A 48 48 SER CB C 40 63.811 64.121 -0.310 1
1 587 . 20 1 1 A 48 48 SER N N 40 116.121 115.407 0.714 1
1 588 . 20 1 1 A 49 49 LYS H H 41 8.394 8.945 -0.551 1
1 589 . 20 1 1 A 49 49 LYS HA H 41 4.188 4.545 -0.357 1
1 598 . 20 1 1 A 49 49 LYS C C 41 176.470 177.735 -1.265 1
1 599 . 20 1 1 A 49 49 LYS CA C 41 55.331 56.715 -1.384 1
1 600 . 20 1 1 A 49 49 LYS CB C 41 32.293 32.434 -0.141 1
1 604 . 20 1 1 A 49 49 LYS N N 41 120.990 124.402 -3.412 1
1 605 . 20 1 1 A 50 50 GLY H H 42 6.747 8.018 -1.271 1
1 606 . 20 1 1 A 50 50 GLY HA2 H 42 3.531 3.915 -0.384 1
1 607 . 20 1 1 A 50 50 GLY HA3 H 42 3.884 3.919 -0.035 1
1 608 . 20 1 1 A 50 50 GLY C C 42 170.967 174.501 -3.534 1
1 609 . 20 1 1 A 50 50 GLY CA C 42 45.060 47.362 -2.302 1
1 610 . 20 1 1 A 50 50 GLY N N 42 106.048 108.632 -2.584 1
1 611 . 20 1 1 A 51 51 SER H H 43 8.158 7.738 0.420 1
1 612 . 20 1 1 A 51 51 SER HA H 43 5.343 4.521 0.822 1
1 615 . 20 1 1 A 51 51 SER C C 43 172.787 172.666 0.121 1
1 616 . 20 1 1 A 51 51 SER CA C 43 57.639 60.735 -3.096 1
1 617 . 20 1 1 A 51 51 SER CB C 43 65.897 62.041 3.856 1
1 618 . 20 1 1 A 51 51 SER N N 43 113.080 111.242 1.838 1
1 619 . 20 1 1 A 52 52 ILE H H 44 9.306 9.411 -0.105 1
1 620 . 20 1 1 A 52 52 ILE HA H 44 4.203 4.544 -0.341 1
1 630 . 20 1 1 A 52 52 ILE C C 44 174.340 174.549 -0.209 1
1 631 . 20 1 1 A 52 52 ILE CA C 44 60.326 60.320 0.006 1
1 632 . 20 1 1 A 52 52 ILE CB C 44 42.302 39.712 2.590 1
1 636 . 20 1 1 A 52 52 ILE N N 44 123.385 123.911 -0.526 1
1 637 . 20 1 1 A 53 53 LYS H H 45 8.495 8.721 -0.226 1
1 638 . 20 1 1 A 53 53 LYS HA H 45 4.444 4.592 -0.148 1
1 647 . 20 1 1 A 53 53 LYS C C 45 176.283 176.372 -0.089 1
1 648 . 20 1 1 A 53 53 LYS CA C 45 56.255 56.192 0.063 1
1 649 . 20 1 1 A 53 53 LYS CB C 45 32.258 32.350 -0.092 1
1 653 . 20 1 1 A 53 53 LYS N N 45 127.498 129.058 -1.560 1
1 654 . 20 1 1 A 54 54 MET H H 46 8.190 8.630 -0.440 1
1 655 . 20 1 1 A 54 54 MET HA H 46 4.585 4.207 0.378 1
1 663 . 20 1 1 A 54 54 MET C C 46 178.779 177.620 1.159 1
1 664 . 20 1 1 A 54 54 MET CA C 46 55.549 58.386 -2.837 1
1 665 . 20 1 1 A 54 54 MET CB C 46 29.465 31.705 -2.240 1
1 668 . 20 1 1 A 54 54 MET N N 46 123.817 124.821 -1.004 1
1 669 . 20 1 1 A 55 55 ALA H H 47 8.860 7.644 1.216 1
1 670 . 20 1 1 A 55 55 ALA HA H 47 4.142 4.174 -0.032 1
1 674 . 20 1 1 A 55 55 ALA C C 47 178.752 177.847 0.905 1
1 675 . 20 1 1 A 55 55 ALA CA C 47 55.004 53.894 1.110 1
1 676 . 20 1 1 A 55 55 ALA CB C 47 19.312 18.486 0.826 1
1 677 . 20 1 1 A 55 55 ALA N N 47 119.194 121.000 -1.806 1
1 678 . 20 1 1 A 56 56 VAL H H 48 7.127 8.178 -1.051 1
1 679 . 20 1 1 A 56 56 VAL HA H 48 4.592 4.366 0.226 1
1 687 . 20 1 1 A 56 56 VAL C C 48 174.965 175.467 -0.502 1
1 688 . 20 1 1 A 56 56 VAL CA C 48 60.038 61.447 -1.409 1
1 689 . 20 1 1 A 56 56 VAL CB C 48 31.878 33.523 -1.645 1
1 692 . 20 1 1 A 56 56 VAL N N 48 105.989 116.499 -10.510 1
1 693 . 20 1 1 A 57 57 CYS H H 49 7.414 7.559 -0.145 1
1 694 . 20 1 1 A 57 57 CYS HA H 49 4.897 5.228 -0.331 1
1 697 . 20 1 1 A 57 57 CYS C C 49 173.836 173.185 0.651 1
1 698 . 20 1 1 A 57 57 CYS CA C 49 58.123 57.372 0.751 1
1 699 . 20 1 1 A 57 57 CYS CB C 49 30.078 30.593 -0.515 1
1 700 . 20 1 1 A 57 57 CYS N N 49 119.973 120.853 -0.880 1
1 701 . 20 1 1 A 58 58 GLU H H 50 8.852 8.918 -0.066 1
1 702 . 20 1 1 A 58 58 GLU HA H 50 4.674 4.718 -0.044 1
1 707 . 20 1 1 A 58 58 GLU C C 50 175.085 175.316 -0.231 1
1 708 . 20 1 1 A 58 58 GLU CA C 50 54.809 56.314 -1.505 1
1 709 . 20 1 1 A 58 58 GLU CB C 50 31.856 30.785 1.071 1
1 711 . 20 1 1 A 58 58 GLU N N 50 124.719 126.188 -1.469 1
1 712 . 20 1 1 A 59 59 ILE H H 51 8.731 8.755 -0.024 1
1 713 . 20 1 1 A 59 59 ILE HA H 51 4.625 4.874 -0.249 1
1 723 . 20 1 1 A 59 59 ILE C C 51 175.513 174.277 1.236 1
1 724 . 20 1 1 A 59 59 ILE CA C 51 60.675 60.298 0.377 1
1 725 . 20 1 1 A 59 59 ILE CB C 51 39.717 39.847 -0.130 1
1 729 . 20 1 1 A 59 59 ILE N N 51 124.286 125.238 -0.952 1
1 730 . 20 1 1 A 60 60 LYS H H 52 9.212 9.273 -0.061 1
1 731 . 20 1 1 A 60 60 LYS HA H 52 4.829 4.700 0.129 1
1 740 . 20 1 1 A 60 60 LYS C C 52 175.594 175.427 0.167 1
1 741 . 20 1 1 A 60 60 LYS CA C 52 54.490 56.014 -1.524 1
1 742 . 20 1 1 A 60 60 LYS CB C 52 34.908 32.940 1.968 1
1 746 . 20 1 1 A 60 60 LYS N N 52 128.004 129.180 -1.176 1
1 747 . 20 1 1 A 61 61 VAL H H 53 8.776 8.911 -0.135 1
1 748 . 20 1 1 A 61 61 VAL HA H 53 4.087 4.639 -0.552 1
1 756 . 20 1 1 A 61 61 VAL C C 53 175.262 175.816 -0.554 1
1 757 . 20 1 1 A 61 61 VAL CA C 53 62.067 61.421 0.646 1
1 758 . 20 1 1 A 61 61 VAL CB C 53 33.296 33.314 -0.018 1
1 761 . 20 1 1 A 61 61 VAL N N 53 124.000 124.814 -0.814 1
1 762 . 20 1 1 A 62 62 HIS H H 54 7.677 8.960 -1.283 1
1 763 . 20 1 1 A 62 62 HIS HA H 54 4.456 4.495 -0.039 1
1 766 . 20 1 1 A 62 62 HIS C C 54 176.465 175.039 1.426 1
1 767 . 20 1 1 A 62 62 HIS CA C 54 57.986 58.888 -0.902 1
1 768 . 20 1 1 A 62 62 HIS CB C 54 32.369 29.924 2.445 1
1 769 . 20 1 1 A 62 62 HIS N N 54 127.177 128.277 -1.100 1
1 770 . 20 1 1 A 63 63 SER H H 55 8.552 8.805 -0.253 1
1 771 . 20 1 1 A 63 63 SER HA H 55 4.251 4.568 -0.317 1
1 774 . 20 1 1 A 63 63 SER C C 55 174.509 172.772 1.737 1
1 775 . 20 1 1 A 63 63 SER CA C 55 60.312 57.409 2.903 1
1 776 . 20 1 1 A 63 63 SER CB C 55 63.609 65.158 -1.549 1
1 777 . 20 1 1 A 63 63 SER N N 55 120.508 108.700 11.808 1
1 778 . 20 1 1 A 64 64 ALA H H 56 8.807 8.482 0.325 1
1 779 . 20 1 1 A 64 64 ALA HA H 56 4.553 3.815 0.738 1
1 783 . 20 1 1 A 64 64 ALA C C 56 176.763 176.033 0.730 1
1 784 . 20 1 1 A 64 64 ALA CA C 56 53.183 53.155 0.028 1
1 785 . 20 1 1 A 64 64 ALA CB C 56 20.619 17.220 3.399 1
1 786 . 20 1 1 A 64 64 ALA N N 56 124.728 122.789 1.939 1
1 787 . 20 1 1 A 65 65 ASP H H 57 8.762 8.153 0.609 1
1 788 . 20 1 1 A 65 65 ASP HA H 57 4.689 4.856 -0.167 1
1 791 . 20 1 1 A 65 65 ASP C C 57 176.322 175.974 0.348 1
1 792 . 20 1 1 A 65 65 ASP CA C 57 52.911 53.495 -0.584 1
1 793 . 20 1 1 A 65 65 ASP CB C 57 41.216 42.073 -0.857 1
1 794 . 20 1 1 A 65 65 ASP N N 57 120.574 117.554 3.020 1
1 795 . 20 1 1 A 66 66 ASN H H 58 8.457 8.869 -0.412 1
1 796 . 20 1 1 A 66 66 ASN HA H 58 4.580 4.930 -0.350 1
1 801 . 20 1 1 A 66 66 ASN C C 58 174.296 176.189 -1.893 1
1 802 . 20 1 1 A 66 66 ASN CA C 58 54.146 52.426 1.720 1
1 803 . 20 1 1 A 66 66 ASN CB C 58 37.538 37.658 -0.120 1
1 804 . 20 1 1 A 66 66 ASN N N 58 122.233 120.853 1.380 1
1 806 . 20 1 1 A 67 67 THR H H 59 8.411 8.518 -0.107 1
1 807 . 20 1 1 A 67 67 THR HA H 59 4.284 3.964 0.320 1
1 812 . 20 1 1 A 67 67 THR C C 59 175.932 173.426 2.506 1
1 813 . 20 1 1 A 67 67 THR CA C 59 62.159 62.980 -0.821 1
1 814 . 20 1 1 A 67 67 THR CB C 59 70.025 66.474 3.551 1
1 816 . 20 1 1 A 67 67 THR N N 59 104.777 117.013 -12.236 1
1 817 . 20 1 1 A 68 68 ARG H H 60 7.589 7.488 0.101 1
1 818 . 20 1 1 A 68 68 ARG HA H 60 5.044 4.635 0.409 1
1 825 . 20 1 1 A 68 68 ARG C C 60 176.482 175.045 1.437 1
1 826 . 20 1 1 A 68 68 ARG CA C 60 56.516 54.571 1.945 1
1 827 . 20 1 1 A 68 68 ARG CB C 60 34.348 31.683 2.665 1
1 830 . 20 1 1 A 68 68 ARG N N 60 122.336 121.212 1.124 1
1 831 . 20 1 1 A 69 69 MET H H 61 9.018 7.876 1.142 1
1 832 . 20 1 1 A 69 69 MET HA H 61 4.997 5.268 -0.271 1
1 840 . 20 1 1 A 69 69 MET C C 61 172.463 174.364 -1.901 1
1 841 . 20 1 1 A 69 69 MET CA C 61 55.330 53.971 1.359 1
1 842 . 20 1 1 A 69 69 MET CB C 61 37.234 37.107 0.127 1
1 845 . 20 1 1 A 69 69 MET N N 61 119.640 123.452 -3.812 1
1 846 . 20 1 1 A 70 70 GLU H H 62 8.996 8.961 0.035 1
1 847 . 20 1 1 A 70 70 GLU HA H 62 5.365 5.021 0.344 1
1 852 . 20 1 1 A 70 70 GLU C C 62 173.523 174.747 -1.224 1
1 853 . 20 1 1 A 70 70 GLU CA C 62 54.326 54.611 -0.285 1
1 854 . 20 1 1 A 70 70 GLU CB C 62 33.915 33.355 0.560 1
1 856 . 20 1 1 A 70 70 GLU N N 62 122.200 124.422 -2.222 1
1 857 . 20 1 1 A 71 71 LEU H H 63 8.763 9.217 -0.454 1
1 858 . 20 1 1 A 71 71 LEU HA H 63 5.222 5.238 -0.016 1
1 868 . 20 1 1 A 71 71 LEU C C 63 175.719 175.094 0.625 1
1 869 . 20 1 1 A 71 71 LEU CA C 63 53.222 53.411 -0.189 1
1 870 . 20 1 1 A 71 71 LEU CB C 63 43.781 42.686 1.095 1
1 874 . 20 1 1 A 71 71 LEU N N 63 123.741 127.267 -3.526 1
1 875 . 20 1 1 A 72 72 ILE H H 64 9.006 9.169 -0.163 1
1 876 . 20 1 1 A 72 72 ILE HA H 64 4.316 5.051 -0.735 1
1 886 . 20 1 1 A 72 72 ILE C C 64 175.349 173.570 1.779 1
1 887 . 20 1 1 A 72 72 ILE CA C 64 60.921 60.163 0.758 1
1 888 . 20 1 1 A 72 72 ILE CB C 64 39.919 40.998 -1.079 1
1 892 . 20 1 1 A 72 72 ILE N N 64 123.633 126.210 -2.577 1
1 893 . 20 1 1 A 73 73 ILE H H 65 8.601 9.028 -0.427 1
1 894 . 20 1 1 A 73 73 ILE HA H 65 4.854 4.818 0.036 1
1 904 . 20 1 1 A 73 73 ILE CA C 65 58.440 57.566 0.874 1
1 905 . 20 1 1 A 73 73 ILE CB C 65 39.820 40.361 -0.541 1
1 909 . 20 1 1 A 73 73 ILE N N 65 128.410 129.974 -1.564 1
1 910 . 20 1 1 A 74 74 PRO HA H 66 4.265 4.297 -0.032 1
1 917 . 20 1 1 A 74 74 PRO C C 66 177.170 177.437 -0.267 1
1 918 . 20 1 1 A 74 74 PRO CA C 66 64.500 63.973 0.527 1
1 919 . 20 1 1 A 74 74 PRO CB C 66 31.826 31.389 0.437 1
1 922 . 20 1 1 A 75 75 GLY H H 67 8.704 8.295 0.409 1
1 923 . 20 1 1 A 75 75 GLY HA2 H 67 3.753 3.979 -0.226 1
1 924 . 20 1 1 A 75 75 GLY HA3 H 67 4.251 3.986 0.265 1
1 925 . 20 1 1 A 75 75 GLY C C 67 174.192 175.311 -1.119 1
1 926 . 20 1 1 A 75 75 GLY CA C 67 45.479 45.767 -0.288 1
1 927 . 20 1 1 A 75 75 GLY N N 67 111.825 112.566 -0.741 1
1 928 . 20 1 1 A 76 76 GLU H H 68 8.258 8.327 -0.069 1
1 929 . 20 1 1 A 76 76 GLU HA H 68 4.483 4.367 0.116 1
1 934 . 20 1 1 A 76 76 GLU C C 68 175.838 177.120 -1.282 1
1 935 . 20 1 1 A 76 76 GLU CA C 68 56.178 58.706 -2.528 1
1 936 . 20 1 1 A 76 76 GLU CB C 68 31.066 30.499 0.567 1
1 938 . 20 1 1 A 76 76 GLU N N 68 118.446 120.720 -2.274 1
1 939 . 20 1 1 A 77 77 GLN H H 69 8.102 7.884 0.218 1
1 940 . 20 1 1 A 77 77 GLN HA H 69 4.556 4.457 0.099 1
1 947 . 20 1 1 A 77 77 GLN C C 69 175.179 175.586 -0.407 1
1 948 . 20 1 1 A 77 77 GLN CA C 69 55.633 57.185 -1.552 1
1 949 . 20 1 1 A 77 77 GLN CB C 69 31.116 29.053 2.063 1
1 951 . 20 1 1 A 77 77 GLN N N 69 117.826 119.729 -1.903 1
1 953 . 20 1 1 A 78 78 HIS H H 70 8.857 9.023 -0.166 1
1 954 . 20 1 1 A 78 78 HIS HA H 70 4.923 4.160 0.763 1
1 957 . 20 1 1 A 78 78 HIS C C 70 173.113 173.831 -0.718 1
1 958 . 20 1 1 A 78 78 HIS CA C 70 54.623 56.750 -2.127 1
1 959 . 20 1 1 A 78 78 HIS CB C 70 30.231 28.282 1.949 1
1 960 . 20 1 1 A 78 78 HIS N N 70 120.752 118.622 2.130 1
1 961 . 20 1 1 A 79 79 PHE H H 71 9.120 7.833 1.287 1
1 962 . 20 1 1 A 79 79 PHE HA H 71 4.797 4.869 -0.072 1
1 967 . 20 1 1 A 79 79 PHE C C 71 174.341 173.723 0.618 1
1 968 . 20 1 1 A 79 79 PHE CA C 71 56.191 56.353 -0.162 1
1 969 . 20 1 1 A 79 79 PHE CB C 71 40.983 40.295 0.688 1
1 970 . 20 1 1 A 79 79 PHE N N 71 124.577 118.624 5.953 1
1 971 . 20 1 1 A 80 80 TYR H H 72 8.883 9.005 -0.122 1
1 972 . 20 1 1 A 80 80 TYR HA H 72 5.142 5.290 -0.148 1
1 979 . 20 1 1 A 80 80 TYR C C 72 175.115 173.922 1.193 1
1 980 . 20 1 1 A 80 80 TYR CA C 72 57.353 56.313 1.040 1
1 981 . 20 1 1 A 80 80 TYR CB C 72 39.753 42.019 -2.266 1
1 986 . 20 1 1 A 80 80 TYR N N 72 124.010 125.511 -1.501 1
1 987 . 20 1 1 A 81 81 MET H H 73 8.824 8.548 0.276 1
1 988 . 20 1 1 A 81 81 MET HA H 73 5.983 5.292 0.691 1
1 996 . 20 1 1 A 81 81 MET C C 73 175.053 174.715 0.338 1
1 997 . 20 1 1 A 81 81 MET CA C 73 54.453 53.715 0.738 1
1 998 . 20 1 1 A 81 81 MET CB C 73 38.584 35.710 2.874 1
1 1001 . 20 1 1 A 81 81 MET N N 73 120.151 124.817 -4.666 1
1 1002 . 20 1 1 A 82 82 LYS H H 74 9.103 8.758 0.345 1
1 1003 . 20 1 1 A 82 82 LYS HA H 74 4.800 4.608 0.192 1
1 1012 . 20 1 1 A 82 82 LYS C C 74 174.244 175.602 -1.358 1
1 1013 . 20 1 1 A 82 82 LYS CA C 74 55.314 54.958 0.356 1
1 1014 . 20 1 1 A 82 82 LYS CB C 74 36.251 36.054 0.197 1
1 1018 . 20 1 1 A 82 82 LYS N N 74 121.097 123.331 -2.234 1
1 1019 . 20 1 1 A 83 83 ALA H H 75 8.740 8.571 0.169 1
1 1020 . 20 1 1 A 83 83 ALA HA H 75 4.786 4.541 0.245 1
1 1024 . 20 1 1 A 83 83 ALA C C 75 177.126 178.331 -1.205 1
1 1025 . 20 1 1 A 83 83 ALA CA C 75 49.893 51.555 -1.662 1
1 1026 . 20 1 1 A 83 83 ALA CB C 75 21.311 19.997 1.314 1
1 1027 . 20 1 1 A 83 83 ALA N N 75 126.624 128.159 -1.535 1
1 1028 . 20 1 1 A 84 84 VAL H H 76 9.105 8.639 0.466 1
1 1029 . 20 1 1 A 84 84 VAL HA H 76 3.835 3.776 0.059 1
1 1037 . 20 1 1 A 84 84 VAL C C 76 175.635 175.984 -0.349 1
1 1038 . 20 1 1 A 84 84 VAL CA C 76 64.888 65.575 -0.687 1
1 1039 . 20 1 1 A 84 84 VAL CB C 76 32.097 32.047 0.050 1
1 1042 . 20 1 1 A 84 84 VAL N N 76 115.195 119.290 -4.095 1
1 1043 . 20 1 1 A 85 85 ASN H H 77 7.278 7.953 -0.675 1
1 1044 . 20 1 1 A 85 85 ASN HA H 77 4.476 5.004 -0.528 1
1 1049 . 20 1 1 A 85 85 ASN C C 77 174.796 175.441 -0.645 1
1 1050 . 20 1 1 A 85 85 ASN CA C 77 52.193 51.511 0.682 1
1 1051 . 20 1 1 A 85 85 ASN CB C 77 39.702 40.896 -1.194 1
1 1052 . 20 1 1 A 85 85 ASN N N 77 109.430 115.381 -5.951 1
1 1054 . 20 1 1 A 86 86 ALA H H 78 8.681 8.880 -0.199 1
1 1055 . 20 1 1 A 86 86 ALA HA H 78 4.195 4.003 0.192 1
1 1059 . 20 1 1 A 86 86 ALA C C 78 180.157 180.007 0.150 1
1 1060 . 20 1 1 A 86 86 ALA CA C 78 54.919 55.510 -0.591 1
1 1061 . 20 1 1 A 86 86 ALA CB C 78 18.721 18.265 0.456 1
1 1062 . 20 1 1 A 86 86 ALA N N 78 121.886 122.649 -0.763 1
1 1063 . 20 1 1 A 87 87 ALA H H 79 8.386 8.208 0.178 1
1 1064 . 20 1 1 A 87 87 ALA HA H 79 4.200 4.001 0.199 1
1 1068 . 20 1 1 A 87 87 ALA C C 79 181.167 180.074 1.093 1
1 1069 . 20 1 1 A 87 87 ALA CA C 79 55.195 55.240 -0.045 1
1 1070 . 20 1 1 A 87 87 ALA CB C 79 17.663 18.425 -0.762 1
1 1071 . 20 1 1 A 87 87 ALA N N 79 123.939 119.917 4.022 1
1 1072 . 20 1 1 A 88 88 GLU H H 80 8.743 7.976 0.767 1
1 1073 . 20 1 1 A 88 88 GLU HA H 80 4.260 4.065 0.195 1
1 1078 . 20 1 1 A 88 88 GLU C C 80 178.848 179.420 -0.572 1
1 1079 . 20 1 1 A 88 88 GLU CA C 80 59.191 59.422 -0.231 1
1 1080 . 20 1 1 A 88 88 GLU CB C 80 29.898 29.149 0.749 1
1 1082 . 20 1 1 A 88 88 GLU N N 80 119.694 118.004 1.690 1
1 1083 . 20 1 1 A 89 89 ARG H H 81 7.936 8.044 -0.108 1
1 1084 . 20 1 1 A 89 89 ARG HA H 81 3.780 4.060 -0.280 1
1 1087 . 20 1 1 A 89 89 ARG C C 81 177.596 178.777 -1.181 1
1 1088 . 20 1 1 A 89 89 ARG CA C 81 61.042 59.278 1.764 1
1 1089 . 20 1 1 A 89 89 ARG CB C 81 29.630 29.863 -0.233 1
1 1090 . 20 1 1 A 89 89 ARG N N 81 119.080 121.075 -1.995 1
1 1091 . 20 1 1 A 90 90 GLN H H 82 8.063 7.874 0.189 1
1 1092 . 20 1 1 A 90 90 GLN HA H 82 4.039 4.032 0.007 1
1 1099 . 20 1 1 A 90 90 GLN C C 82 177.419 178.424 -1.005 1
1 1100 . 20 1 1 A 90 90 GLN CA C 82 59.069 59.076 -0.007 1
1 1101 . 20 1 1 A 90 90 GLN CB C 82 27.786 28.159 -0.373 1
1 1103 . 20 1 1 A 90 90 GLN N N 82 118.390 118.532 -0.142 1
1 1105 . 20 1 1 A 91 91 ARG H H 83 7.700 7.407 0.293 1
1 1106 . 20 1 1 A 91 91 ARG HA H 83 3.961 3.963 -0.002 1
1 1114 . 20 1 1 A 91 91 ARG C C 83 180.016 178.970 1.046 1
1 1115 . 20 1 1 A 91 91 ARG CA C 83 59.750 59.441 0.309 1
1 1116 . 20 1 1 A 91 91 ARG CB C 83 30.401 29.684 0.717 1
1 1119 . 20 1 1 A 91 91 ARG N N 83 117.912 118.568 -0.656 1
1 1121 . 20 1 1 A 92 92 TRP H H 84 7.895 7.627 0.268 1
1 1122 . 20 1 1 A 92 92 TRP HA H 84 4.115 4.465 -0.350 1
1 1130 . 20 1 1 A 92 92 TRP C C 84 178.111 179.162 -1.051 1
1 1131 . 20 1 1 A 92 92 TRP CA C 84 61.633 59.815 1.818 1
1 1132 . 20 1 1 A 92 92 TRP CB C 84 29.032 29.563 -0.531 1
1 1137 . 20 1 1 A 92 92 TRP N N 84 119.237 121.062 -1.825 1
1 1139 . 20 1 1 A 93 93 LEU H H 85 8.988 8.806 0.182 1
1 1140 . 20 1 1 A 93 93 LEU HA H 85 3.978 3.994 -0.016 1
1 1150 . 20 1 1 A 93 93 LEU C C 85 180.925 179.701 1.224 1
1 1151 . 20 1 1 A 93 93 LEU CA C 85 58.716 57.825 0.891 1
1 1152 . 20 1 1 A 93 93 LEU CB C 85 41.506 41.172 0.334 1
1 1156 . 20 1 1 A 93 93 LEU N N 85 119.853 120.215 -0.362 1
1 1157 . 20 1 1 A 94 94 VAL H H 86 8.233 8.355 -0.122 1
1 1158 . 20 1 1 A 94 94 VAL HA H 86 3.695 3.516 0.179 1
1 1166 . 20 1 1 A 94 94 VAL C C 86 178.733 177.897 0.836 1
1 1167 . 20 1 1 A 94 94 VAL CA C 86 66.250 66.581 -0.331 1
1 1168 . 20 1 1 A 94 94 VAL CB C 86 31.886 31.522 0.364 1
1 1171 . 20 1 1 A 94 94 VAL N N 86 120.164 119.819 0.345 1
1 1172 . 20 1 1 A 95 95 ALA H H 87 7.345 7.635 -0.290 1
1 1173 . 20 1 1 A 95 95 ALA HA H 87 4.113 4.027 0.086 1
1 1177 . 20 1 1 A 95 95 ALA C C 87 180.055 180.297 -0.242 1
1 1178 . 20 1 1 A 95 95 ALA CA C 87 55.410 55.393 0.017 1
1 1179 . 20 1 1 A 95 95 ALA CB C 87 18.816 18.577 0.239 1
1 1180 . 20 1 1 A 95 95 ALA N N 87 123.818 121.590 2.228 1
1 1181 . 20 1 1 A 96 96 LEU H H 88 9.342 8.792 0.550 1
1 1182 . 20 1 1 A 96 96 LEU HA H 88 4.003 4.006 -0.003 1
1 1192 . 20 1 1 A 96 96 LEU C C 88 179.349 179.502 -0.153 1
1 1193 . 20 1 1 A 96 96 LEU CA C 88 57.786 58.099 -0.313 1
1 1194 . 20 1 1 A 96 96 LEU CB C 88 41.848 41.816 0.032 1
1 1198 . 20 1 1 A 96 96 LEU N N 88 117.857 118.392 -0.535 1
1 1199 . 20 1 1 A 97 97 GLY H H 89 8.252 8.435 -0.183 1
1 1200 . 20 1 1 A 97 97 GLY HA2 H 89 3.819 3.850 -0.031 1
1 1201 . 20 1 1 A 97 97 GLY HA3 H 89 3.948 3.850 0.098 1
1 1202 . 20 1 1 A 97 97 GLY C C 89 176.463 176.439 0.024 1
1 1203 . 20 1 1 A 97 97 GLY CA C 89 46.620 47.387 -0.767 1
1 1204 . 20 1 1 A 97 97 GLY N N 89 105.618 106.221 -0.603 1
1 1205 . 20 1 1 A 98 98 SER H H 90 8.068 8.045 0.023 1
1 1206 . 20 1 1 A 98 98 SER HA H 90 4.377 4.265 0.112 1
1 1209 . 20 1 1 A 98 98 SER C C 90 176.144 176.013 0.131 1
1 1210 . 20 1 1 A 98 98 SER CA C 90 60.842 62.694 -1.852 1
1 1211 . 20 1 1 A 98 98 SER CB C 90 63.116 62.781 0.335 1
1 1212 . 20 1 1 A 98 98 SER N N 90 117.602 120.223 -2.621 1
1 1213 . 20 1 1 A 99 99 SER H H 91 8.036 7.675 0.361 1
1 1214 . 20 1 1 A 99 99 SER HA H 91 4.324 4.189 0.135 1
1 1217 . 20 1 1 A 99 99 SER C C 91 175.818 177.219 -1.401 1
1 1218 . 20 1 1 A 99 99 SER CA C 91 60.720 61.377 -0.657 1
1 1219 . 20 1 1 A 99 99 SER CB C 91 63.831 62.938 0.893 1
1 1220 . 20 1 1 A 99 99 SER N N 91 116.877 116.667 0.210 1
1 1221 . 20 1 1 A 100 100 LYS H H 92 7.838 7.882 -0.044 1
1 1222 . 20 1 1 A 100 100 LYS HA H 92 4.068 4.044 0.024 1
1 1231 . 20 1 1 A 100 100 LYS C C 92 177.235 177.831 -0.596 1
1 1232 . 20 1 1 A 100 100 LYS CA C 92 58.121 58.822 -0.701 1
1 1233 . 20 1 1 A 100 100 LYS CB C 92 32.263 32.113 0.150 1
1 1237 . 20 1 1 A 100 100 LYS N N 92 119.456 121.524 -2.068 1
1 1238 . 20 1 1 A 101 101 ALA H H 93 7.924 7.737 0.187 1
1 1239 . 20 1 1 A 101 101 ALA HA H 93 4.321 4.212 0.109 1
1 1243 . 20 1 1 A 101 101 ALA C C 93 178.323 178.040 0.283 1
1 1244 . 20 1 1 A 101 101 ALA CA C 93 53.435 53.251 0.184 1
1 1245 . 20 1 1 A 101 101 ALA CB C 93 18.969 18.415 0.554 1
1 1246 . 20 1 1 A 101 101 ALA N N 93 122.054 120.626 1.428 1
1 1247 . 20 1 1 A 102 102 SER H H 94 8.061 8.794 -0.733 1
1 1248 . 20 1 1 A 102 102 SER HA H 94 4.451 4.134 0.317 1
1 1251 . 20 1 1 A 102 102 SER C C 94 174.773 173.354 1.419 1
1 1252 . 20 1 1 A 102 102 SER CA C 94 59.086 59.363 -0.277 1
1 1253 . 20 1 1 A 102 102 SER CB C 94 63.766 61.065 2.701 1
1 1254 . 20 1 1 A 102 102 SER N N 94 114.102 114.977 -0.875 1
1 1255 . 20 1 1 A 103 103 LEU H H 95 8.053 7.466 0.587 1
1 1256 . 20 1 1 A 103 103 LEU HA H 95 4.507 4.410 0.097 1
1 1266 . 20 1 1 A 103 103 LEU C C 95 177.589 175.971 1.618 1
1 1267 . 20 1 1 A 103 103 LEU CA C 95 55.398 53.416 1.982 1
1 1268 . 20 1 1 A 103 103 LEU CB C 95 42.435 43.934 -1.499 1
1 1272 . 20 1 1 A 103 103 LEU N N 95 123.264 121.228 2.036 1
1 1273 . 20 1 1 A 104 104 THR H H 96 8.045 8.492 -0.447 1
1 1274 . 20 1 1 A 104 104 THR HA H 96 4.383 4.314 0.069 1
1 1279 . 20 1 1 A 104 104 THR C C 96 174.128 173.886 0.242 1
1 1280 . 20 1 1 A 104 104 THR CA C 96 61.982 62.095 -0.113 1
1 1281 . 20 1 1 A 104 104 THR CB C 96 69.938 70.116 -0.178 1
1 1283 . 20 1 1 A 104 104 THR N N 96 113.833 114.892 -1.059 1
1 1284 . 20 1 1 A 105 105 ASP H H 97 8.346 8.851 -0.505 1
1 1285 . 20 1 1 A 105 105 ASP HA H 97 4.740 4.593 0.147 1
1 1288 . 20 1 1 A 105 105 ASP C C 97 176.310 177.041 -0.731 1
1 1289 . 20 1 1 A 105 105 ASP CA C 97 54.300 54.171 0.129 1
1 1290 . 20 1 1 A 105 105 ASP CB C 97 41.174 41.791 -0.617 1
1 1291 . 20 1 1 A 105 105 ASP N N 97 123.107 122.930 0.177 1
1 1292 . 20 1 1 A 106 106 THR H H 98 8.147 8.853 -0.706 1
1 1293 . 20 1 1 A 106 106 THR HA H 98 4.355 4.080 0.275 1
1 1298 . 20 1 1 A 106 106 THR C C 98 174.523 174.955 -0.432 1
1 1299 . 20 1 1 A 106 106 THR CA C 98 61.937 63.089 -1.152 1
1 1300 . 20 1 1 A 106 106 THR CB C 98 69.656 66.618 3.038 1
1 1302 . 20 1 1 A 106 106 THR N N 98 114.857 117.018 -2.161 1
1 1303 . 20 1 1 A 107 107 ARG H H 99 8.385 8.205 0.180 1
1 1304 . 20 1 1 A 107 107 ARG HA H 99 4.442 4.322 0.120 1
1 1312 . 20 1 1 A 107 107 ARG C C 99 175.764 174.922 0.842 1
1 1313 . 20 1 1 A 107 107 ARG CA C 99 56.311 56.147 0.164 1
1 1314 . 20 1 1 A 107 107 ARG CB C 99 30.745 29.380 1.365 1
1 1317 . 20 1 1 A 107 107 ARG N N 99 123.999 122.060 1.939 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 103 1.055 1
2 1 1 1 "RMS(OBS, PRED)" CA 106 1.095 1
3 1 1 1 "RMS(OBS, PRED)" CB 98 1.346 1
4 1 1 1 "RMS(OBS, PRED)" H 102 0.504 1
5 1 1 1 "RMS(OBS, PRED)" HA 114 0.380 1
6 1 1 1 "RMS(OBS, PRED)" N 102 3.107 1
7 1 2 1 "RMS(OBS, PRED)" C 103 1.123 1
8 1 2 1 "RMS(OBS, PRED)" CA 106 1.097 1
9 1 2 1 "RMS(OBS, PRED)" CB 98 1.280 1
10 1 2 1 "RMS(OBS, PRED)" H 102 0.524 1
11 1 2 1 "RMS(OBS, PRED)" HA 114 0.410 1
12 1 2 1 "RMS(OBS, PRED)" N 102 3.300 1
13 1 3 1 "RMS(OBS, PRED)" C 103 1.107 1
14 1 3 1 "RMS(OBS, PRED)" CA 106 1.228 1
15 1 3 1 "RMS(OBS, PRED)" CB 98 1.299 1
16 1 3 1 "RMS(OBS, PRED)" H 102 0.508 1
17 1 3 1 "RMS(OBS, PRED)" HA 114 0.379 1
18 1 3 1 "RMS(OBS, PRED)" N 102 2.937 1
19 1 4 1 "RMS(OBS, PRED)" C 103 1.079 1
20 1 4 1 "RMS(OBS, PRED)" CA 106 1.138 1
21 1 4 1 "RMS(OBS, PRED)" CB 98 1.362 1
22 1 4 1 "RMS(OBS, PRED)" H 102 0.477 1
23 1 4 1 "RMS(OBS, PRED)" HA 114 0.400 1
24 1 4 1 "RMS(OBS, PRED)" N 102 3.215 1
25 1 5 1 "RMS(OBS, PRED)" C 103 1.039 1
26 1 5 1 "RMS(OBS, PRED)" CA 106 1.032 1
27 1 5 1 "RMS(OBS, PRED)" CB 98 1.306 1
28 1 5 1 "RMS(OBS, PRED)" H 102 0.536 1
29 1 5 1 "RMS(OBS, PRED)" HA 114 0.401 1
30 1 5 1 "RMS(OBS, PRED)" N 102 3.250 1
31 1 6 1 "RMS(OBS, PRED)" C 103 1.135 1
32 1 6 1 "RMS(OBS, PRED)" CA 106 1.189 1
33 1 6 1 "RMS(OBS, PRED)" CB 98 1.375 1
34 1 6 1 "RMS(OBS, PRED)" H 102 0.507 1
35 1 6 1 "RMS(OBS, PRED)" HA 114 0.396 1
36 1 6 1 "RMS(OBS, PRED)" N 102 3.101 1
37 1 7 1 "RMS(OBS, PRED)" C 103 1.105 1
38 1 7 1 "RMS(OBS, PRED)" CA 106 1.092 1
39 1 7 1 "RMS(OBS, PRED)" CB 98 1.299 1
40 1 7 1 "RMS(OBS, PRED)" H 102 0.530 1
41 1 7 1 "RMS(OBS, PRED)" HA 114 0.421 1
42 1 7 1 "RMS(OBS, PRED)" N 102 3.209 1
43 1 8 1 "RMS(OBS, PRED)" C 103 1.132 1
44 1 8 1 "RMS(OBS, PRED)" CA 106 1.170 1
45 1 8 1 "RMS(OBS, PRED)" CB 98 1.385 1
46 1 8 1 "RMS(OBS, PRED)" H 102 0.539 1
47 1 8 1 "RMS(OBS, PRED)" HA 114 0.417 1
48 1 8 1 "RMS(OBS, PRED)" N 102 3.341 1
49 1 9 1 "RMS(OBS, PRED)" C 103 1.122 1
50 1 9 1 "RMS(OBS, PRED)" CA 106 1.183 1
51 1 9 1 "RMS(OBS, PRED)" CB 98 1.294 1
52 1 9 1 "RMS(OBS, PRED)" H 102 0.507 1
53 1 9 1 "RMS(OBS, PRED)" HA 114 0.399 1
54 1 9 1 "RMS(OBS, PRED)" N 102 3.262 1
55 1 10 1 "RMS(OBS, PRED)" C 103 1.082 1
56 1 10 1 "RMS(OBS, PRED)" CA 106 1.183 1
57 1 10 1 "RMS(OBS, PRED)" CB 98 1.258 1
58 1 10 1 "RMS(OBS, PRED)" H 102 0.548 1
59 1 10 1 "RMS(OBS, PRED)" HA 114 0.422 1
60 1 10 1 "RMS(OBS, PRED)" N 102 3.179 1
61 1 11 1 "RMS(OBS, PRED)" C 103 1.059 1
62 1 11 1 "RMS(OBS, PRED)" CA 106 1.200 1
63 1 11 1 "RMS(OBS, PRED)" CB 98 1.415 1
64 1 11 1 "RMS(OBS, PRED)" H 102 0.518 1
65 1 11 1 "RMS(OBS, PRED)" HA 114 0.370 1
66 1 11 1 "RMS(OBS, PRED)" N 102 3.428 1
67 1 12 1 "RMS(OBS, PRED)" C 103 1.081 1
68 1 12 1 "RMS(OBS, PRED)" CA 106 1.096 1
69 1 12 1 "RMS(OBS, PRED)" CB 98 1.301 1
70 1 12 1 "RMS(OBS, PRED)" H 102 0.535 1
71 1 12 1 "RMS(OBS, PRED)" HA 114 0.406 1
72 1 12 1 "RMS(OBS, PRED)" N 102 3.051 1
73 1 13 1 "RMS(OBS, PRED)" C 103 1.078 1
74 1 13 1 "RMS(OBS, PRED)" CA 106 1.090 1
75 1 13 1 "RMS(OBS, PRED)" CB 98 1.373 1
76 1 13 1 "RMS(OBS, PRED)" H 102 0.510 1
77 1 13 1 "RMS(OBS, PRED)" HA 114 0.448 1
78 1 13 1 "RMS(OBS, PRED)" N 102 3.173 1
79 1 14 1 "RMS(OBS, PRED)" C 103 1.039 1
80 1 14 1 "RMS(OBS, PRED)" CA 106 1.114 1
81 1 14 1 "RMS(OBS, PRED)" CB 98 1.348 1
82 1 14 1 "RMS(OBS, PRED)" H 102 0.542 1
83 1 14 1 "RMS(OBS, PRED)" HA 114 0.420 1
84 1 14 1 "RMS(OBS, PRED)" N 102 3.173 1
85 1 15 1 "RMS(OBS, PRED)" C 103 1.054 1
86 1 15 1 "RMS(OBS, PRED)" CA 106 1.122 1
87 1 15 1 "RMS(OBS, PRED)" CB 98 1.259 1
88 1 15 1 "RMS(OBS, PRED)" H 102 0.509 1
89 1 15 1 "RMS(OBS, PRED)" HA 114 0.392 1
90 1 15 1 "RMS(OBS, PRED)" N 102 2.990 1
91 1 16 1 "RMS(OBS, PRED)" C 103 1.060 1
92 1 16 1 "RMS(OBS, PRED)" CA 106 1.118 1
93 1 16 1 "RMS(OBS, PRED)" CB 98 1.320 1
94 1 16 1 "RMS(OBS, PRED)" H 102 0.532 1
95 1 16 1 "RMS(OBS, PRED)" HA 114 0.413 1
96 1 16 1 "RMS(OBS, PRED)" N 102 3.321 1
97 1 17 1 "RMS(OBS, PRED)" C 103 1.121 1
98 1 17 1 "RMS(OBS, PRED)" CA 106 1.130 1
99 1 17 1 "RMS(OBS, PRED)" CB 98 1.334 1
100 1 17 1 "RMS(OBS, PRED)" H 102 0.532 1
101 1 17 1 "RMS(OBS, PRED)" HA 114 0.401 1
102 1 17 1 "RMS(OBS, PRED)" N 102 3.234 1
103 1 18 1 "RMS(OBS, PRED)" C 103 1.130 1
104 1 18 1 "RMS(OBS, PRED)" CA 106 1.069 1
105 1 18 1 "RMS(OBS, PRED)" CB 98 1.289 1
106 1 18 1 "RMS(OBS, PRED)" H 102 0.544 1
107 1 18 1 "RMS(OBS, PRED)" HA 114 0.410 1
108 1 18 1 "RMS(OBS, PRED)" N 102 3.367 1
109 1 19 1 "RMS(OBS, PRED)" C 103 1.077 1
110 1 19 1 "RMS(OBS, PRED)" CA 106 1.155 1
111 1 19 1 "RMS(OBS, PRED)" CB 98 1.351 1
112 1 19 1 "RMS(OBS, PRED)" H 102 0.474 1
113 1 19 1 "RMS(OBS, PRED)" HA 114 0.402 1
114 1 19 1 "RMS(OBS, PRED)" N 102 3.138 1
115 1 20 1 "RMS(OBS, PRED)" C 103 1.150 1
116 1 20 1 "RMS(OBS, PRED)" CA 106 1.205 1
117 1 20 1 "RMS(OBS, PRED)" CB 98 1.414 1
118 1 20 1 "RMS(OBS, PRED)" H 102 0.532 1
119 1 20 1 "RMS(OBS, PRED)" HA 114 0.393 1
120 1 20 1 "RMS(OBS, PRED)" N 102 3.260 1
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Conformer_type "average"
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 A 2 2 PRO HA H -6 4.460 4.639 -0.179 2
1 8 . 1 1 A 2 2 PRO C C -6 176.875 175.808 1.067 2
1 9 . 1 1 A 2 2 PRO CA C -6 63.159 62.786 0.373 2
1 10 . 1 1 A 2 2 PRO CB C -6 32.292 31.407 0.885 2
1 13 . 1 1 A 3 3 LEU H H -5 8.483 8.494 -0.011 2
1 14 . 1 1 A 3 3 LEU HA H -5 4.334 4.560 -0.226 2
1 24 . 1 1 A 3 3 LEU C C -5 177.797 177.157 0.640 2
1 25 . 1 1 A 3 3 LEU CA C -5 55.474 54.236 1.238 2
1 26 . 1 1 A 3 3 LEU CB C -5 42.239 42.893 -0.654 2
1 30 . 1 1 A 3 3 LEU N N -5 122.315 123.995 -1.680 2
1 31 . 1 1 A 4 4 GLY H H -4 8.393 8.804 -0.411 2
1 32 . 1 1 A 4 4 GLY HA2 H -4 3.978 3.949 0.029 2
1 33 . 1 1 A 4 4 GLY HA3 H -4 3.978 3.951 0.027 2
1 34 . 1 1 A 4 4 GLY C C -4 173.730 174.105 -0.375 2
1 35 . 1 1 A 4 4 GLY CA C -4 45.158 46.186 -1.028 2
1 36 . 1 1 A 4 4 GLY N N -4 109.911 115.366 -5.455 2
1 37 . 1 1 A 5 5 SER H H -3 8.162 8.077 0.085 2
1 38 . 1 1 A 5 5 SER HA H -3 4.764 4.669 0.095 2
1 41 . 1 1 A 5 5 SER CA C -3 56.323 57.787 -1.464 2
1 42 . 1 1 A 5 5 SER CB C -3 63.515 64.574 -1.059 2
1 43 . 1 1 A 5 5 SER N N -3 116.873 117.624 -0.751 2
1 44 . 1 1 A 6 6 PRO HA H -2 4.399 4.493 -0.094 2
1 47 . 1 1 A 6 6 PRO C C -2 176.587 176.272 0.315 2
1 48 . 1 1 A 6 6 PRO CA C -2 63.552 63.140 0.412 2
1 49 . 1 1 A 6 6 PRO CB C -2 31.997 31.680 0.318 2
1 50 . 1 1 A 7 7 GLU H H -1 8.364 8.542 -0.178 2
1 51 . 1 1 A 7 7 GLU HA H -1 4.285 4.547 -0.262 2
1 56 . 1 1 A 7 7 GLU C C -1 174.954 175.392 -0.438 2
1 57 . 1 1 A 7 7 GLU CA C -1 56.486 55.874 0.612 2
1 58 . 1 1 A 7 7 GLU CB C -1 29.924 29.391 0.533 2
1 60 . 1 1 A 7 7 GLU N N -1 119.665 122.613 -2.948 2
1 61 . 1 1 A 8 8 PHE H H 0 7.872 8.794 -0.922 2
1 62 . 1 1 A 8 8 PHE HA H 0 5.204 5.573 -0.369 2
1 67 . 1 1 A 8 8 PHE C C 0 174.670 173.814 0.856 2
1 68 . 1 1 A 8 8 PHE CA C 0 56.861 56.196 0.665 2
1 69 . 1 1 A 8 8 PHE CB C 0 41.874 42.166 -0.292 2
1 72 . 1 1 A 8 8 PHE N N 0 122.497 124.894 -2.397 2
1 73 . 1 1 A 9 9 MET H H 1 7.833 8.491 -0.658 2
1 74 . 1 1 A 9 9 MET HA H 1 4.095 4.762 -0.667 2
1 82 . 1 1 A 9 9 MET C C 1 171.191 173.991 -2.800 2
1 83 . 1 1 A 9 9 MET CA C 1 54.613 53.935 0.678 2
1 84 . 1 1 A 9 9 MET CB C 1 34.867 35.421 -0.554 2
1 87 . 1 1 A 9 9 MET N N 1 127.163 125.998 1.165 2
1 88 . 1 1 A 10 10 GLU H H 2 7.698 8.657 -0.959 2
1 89 . 1 1 A 10 10 GLU HA H 2 5.603 5.125 0.478 2
1 94 . 1 1 A 10 10 GLU C C 2 174.743 174.500 0.243 2
1 95 . 1 1 A 10 10 GLU CA C 2 53.345 54.310 -0.965 2
1 96 . 1 1 A 10 10 GLU CB C 2 32.408 33.658 -1.250 2
1 98 . 1 1 A 10 10 GLU N N 2 118.654 122.079 -3.425 2
1 99 . 1 1 A 11 11 GLY H H 3 7.994 7.364 0.630 2
1 100 . 1 1 A 11 11 GLY HA2 H 3 3.115 3.618 -0.503 2
1 101 . 1 1 A 11 11 GLY HA3 H 3 4.377 4.157 0.220 2
1 102 . 1 1 A 11 11 GLY C C 3 170.878 171.732 -0.854 2
1 103 . 1 1 A 11 11 GLY CA C 3 45.086 44.734 0.352 2
1 104 . 1 1 A 11 11 GLY N N 3 108.296 106.287 2.009 2
1 105 . 1 1 A 12 12 VAL H H 4 8.463 8.516 -0.053 2
1 106 . 1 1 A 12 12 VAL HA H 4 4.969 5.531 -0.562 2
1 114 . 1 1 A 12 12 VAL C C 4 177.805 174.343 3.462 2
1 115 . 1 1 A 12 12 VAL CA C 4 62.373 59.360 3.013 2
1 116 . 1 1 A 12 12 VAL CB C 4 33.152 35.136 -1.984 2
1 119 . 1 1 A 12 12 VAL N N 4 119.624 116.237 3.387 2
1 120 . 1 1 A 13 13 LEU H H 5 8.647 9.096 -0.449 2
1 121 . 1 1 A 13 13 LEU HA H 5 4.382 5.048 -0.666 2
1 131 . 1 1 A 13 13 LEU C C 5 175.407 175.699 -0.292 2
1 132 . 1 1 A 13 13 LEU CA C 5 54.139 53.633 0.506 2
1 133 . 1 1 A 13 13 LEU CB C 5 46.374 45.531 0.843 2
1 137 . 1 1 A 13 13 LEU N N 5 125.806 123.321 2.485 2
1 138 . 1 1 A 14 14 TYR H H 6 9.007 9.257 -0.250 2
1 139 . 1 1 A 14 14 TYR HA H 6 5.026 5.248 -0.222 2
1 144 . 1 1 A 14 14 TYR C C 6 175.047 174.869 0.178 2
1 145 . 1 1 A 14 14 TYR CA C 6 57.484 58.794 -1.310 2
1 146 . 1 1 A 14 14 TYR CB C 6 39.400 38.590 0.810 2
1 147 . 1 1 A 14 14 TYR N N 6 118.975 123.689 -4.714 2
1 148 . 1 1 A 15 15 LYS H H 7 9.549 8.971 0.578 2
1 149 . 1 1 A 15 15 LYS HA H 7 5.467 4.943 0.524 2
1 158 . 1 1 A 15 15 LYS C C 7 175.772 175.913 -0.141 2
1 159 . 1 1 A 15 15 LYS CA C 7 54.136 54.749 -0.613 2
1 160 . 1 1 A 15 15 LYS CB C 7 37.043 34.756 2.287 2
1 164 . 1 1 A 15 15 LYS N N 7 123.867 127.628 -3.761 2
1 165 . 1 1 A 16 16 TRP H H 8 8.355 8.883 -0.528 2
1 166 . 1 1 A 16 16 TRP HA H 8 3.893 4.831 -0.938 2
1 175 . 1 1 A 16 16 TRP C C 8 176.038 176.332 -0.294 2
1 176 . 1 1 A 16 16 TRP CA C 8 57.880 57.566 0.314 2
1 177 . 1 1 A 16 16 TRP CB C 8 29.347 30.320 -0.973 2
1 183 . 1 1 A 16 16 TRP N N 8 129.111 129.476 -0.365 2
1 185 . 1 1 A 17 17 THR H H 9 6.754 8.245 -1.492 2
1 186 . 1 1 A 17 17 THR HA H 9 4.127 4.365 -0.238 2
1 191 . 1 1 A 17 17 THR C C 9 172.153 174.107 -1.954 2
1 192 . 1 1 A 17 17 THR CA C 9 61.413 62.040 -0.627 2
1 193 . 1 1 A 17 17 THR CB C 9 69.317 69.232 0.085 2
1 195 . 1 1 A 17 17 THR N N 9 121.030 118.478 2.552 2
1 196 . 1 1 A 18 18 ASN H H 10 7.418 7.058 0.360 2
1 197 . 1 1 A 18 18 ASN HA H 10 4.051 4.953 -0.902 2
1 202 . 1 1 A 18 18 ASN C C 10 174.308 174.935 -0.627 2
1 203 . 1 1 A 18 18 ASN CA C 10 52.089 51.581 0.508 2
1 204 . 1 1 A 18 18 ASN CB C 10 39.339 41.720 -2.381 2
1 205 . 1 1 A 18 18 ASN N N 10 115.655 117.051 -1.396 2
1 207 . 1 1 A 19 19 TYR H H 11 8.348 8.973 -0.625 2
1 208 . 1 1 A 19 19 TYR HA H 11 4.284 4.376 -0.092 2
1 215 . 1 1 A 19 19 TYR C C 11 175.974 177.339 -1.365 2
1 216 . 1 1 A 19 19 TYR CA C 11 60.774 60.318 0.456 2
1 217 . 1 1 A 19 19 TYR CB C 11 37.815 37.977 -0.162 2
1 222 . 1 1 A 19 19 TYR N N 11 115.508 121.759 -6.251 2
1 223 . 1 1 A 20 20 LEU H H 12 7.827 7.658 0.169 2
1 224 . 1 1 A 20 20 LEU HA H 12 4.091 3.936 0.155 2
1 234 . 1 1 A 20 20 LEU C C 12 178.711 179.008 -0.297 2
1 235 . 1 1 A 20 20 LEU CA C 12 56.966 57.618 -0.652 2
1 236 . 1 1 A 20 20 LEU CB C 12 41.922 41.700 0.222 2
1 240 . 1 1 A 20 20 LEU N N 12 120.867 122.249 -1.382 2
1 241 . 1 1 A 21 21 THR H H 13 7.651 7.665 -0.014 2
1 242 . 1 1 A 21 21 THR HA H 13 4.162 4.271 -0.108 2
1 247 . 1 1 A 21 21 THR C C 13 175.842 174.669 1.173 2
1 248 . 1 1 A 21 21 THR CA C 13 62.159 62.449 -0.290 2
1 249 . 1 1 A 21 21 THR CB C 13 69.191 70.322 -1.131 2
1 251 . 1 1 A 21 21 THR N N 13 108.304 107.346 0.958 2
1 252 . 1 1 A 22 22 GLY H H 14 7.679 8.035 -0.356 2
1 253 . 1 1 A 22 22 GLY HA2 H 14 2.802 3.762 -0.960 2
1 254 . 1 1 A 22 22 GLY HA3 H 14 3.715 3.987 -0.272 2
1 255 . 1 1 A 22 22 GLY C C 14 175.108 173.341 1.767 2
1 256 . 1 1 A 22 22 GLY CA C 14 46.131 46.323 -0.192 2
1 257 . 1 1 A 22 22 GLY N N 14 109.901 110.243 -0.342 2
1 258 . 1 1 A 23 23 TRP H H 15 8.817 8.143 0.675 2
1 259 . 1 1 A 23 23 TRP HA H 15 4.724 5.600 -0.876 2
1 268 . 1 1 A 23 23 TRP C C 15 176.569 174.654 1.915 2
1 269 . 1 1 A 23 23 TRP CA C 15 56.897 55.147 1.750 2
1 270 . 1 1 A 23 23 TRP CB C 15 29.825 32.974 -3.149 2
1 275 . 1 1 A 23 23 TRP N N 15 126.927 122.040 4.887 2
1 277 . 1 1 A 24 24 GLN H H 16 8.931 8.818 0.113 2
1 278 . 1 1 A 24 24 GLN HA H 16 5.186 4.302 0.884 2
1 285 . 1 1 A 24 24 GLN CA C 16 52.369 51.742 0.627 2
1 286 . 1 1 A 24 24 GLN CB C 16 31.536 30.610 0.926 2
1 288 . 1 1 A 24 24 GLN N N 16 122.710 120.242 2.468 2
1 290 . 1 1 A 25 25 PRO HA H 17 4.206 5.049 -0.843 2
1 297 . 1 1 A 25 25 PRO C C 17 176.918 175.957 0.961 2
1 298 . 1 1 A 25 25 PRO CA C 17 62.894 62.904 -0.010 2
1 299 . 1 1 A 25 25 PRO CB C 17 31.444 31.584 -0.140 2
1 302 . 1 1 A 26 26 ARG H H 18 9.041 8.701 0.340 2
1 303 . 1 1 A 26 26 ARG HA H 18 4.857 4.927 -0.070 2
1 310 . 1 1 A 26 26 ARG C C 18 173.102 174.696 -1.594 2
1 311 . 1 1 A 26 26 ARG CA C 18 53.273 54.748 -1.475 2
1 312 . 1 1 A 26 26 ARG CB C 18 34.254 33.644 0.610 2
1 315 . 1 1 A 26 26 ARG N N 18 123.602 123.211 0.391 2
1 316 . 1 1 A 27 27 TRP H H 19 8.375 8.470 -0.095 2
1 317 . 1 1 A 27 27 TRP HA H 19 5.077 5.318 -0.241 2
1 326 . 1 1 A 27 27 TRP C C 19 174.728 174.811 -0.083 2
1 327 . 1 1 A 27 27 TRP CA C 19 56.157 56.582 -0.425 2
1 328 . 1 1 A 27 27 TRP CB C 19 31.116 31.497 -0.381 2
1 334 . 1 1 A 27 27 TRP N N 19 121.669 125.559 -3.890 2
1 336 . 1 1 A 28 28 PHE H H 20 9.016 9.250 -0.234 2
1 337 . 1 1 A 28 28 PHE HA H 20 5.385 5.478 -0.093 2
1 345 . 1 1 A 28 28 PHE C C 20 174.685 174.530 0.155 2
1 346 . 1 1 A 28 28 PHE CA C 20 56.699 56.456 0.243 2
1 347 . 1 1 A 28 28 PHE CB C 20 43.155 42.943 0.212 2
1 353 . 1 1 A 28 28 PHE N N 20 128.520 126.197 2.323 2
1 354 . 1 1 A 29 29 VAL H H 21 9.058 9.280 -0.222 2
1 355 . 1 1 A 29 29 VAL HA H 21 4.681 5.179 -0.498 2
1 363 . 1 1 A 29 29 VAL C C 21 174.804 173.951 0.853 2
1 364 . 1 1 A 29 29 VAL CA C 21 61.719 59.779 1.940 2
1 365 . 1 1 A 29 29 VAL CB C 21 36.416 35.812 0.604 2
1 368 . 1 1 A 29 29 VAL N N 21 117.562 116.471 1.091 2
1 369 . 1 1 A 30 30 LEU H H 22 9.543 9.147 0.396 2
1 370 . 1 1 A 30 30 LEU HA H 22 5.311 5.236 0.075 2
1 380 . 1 1 A 30 30 LEU C C 22 173.506 174.998 -1.492 2
1 381 . 1 1 A 30 30 LEU CA C 22 53.213 53.952 -0.739 2
1 382 . 1 1 A 30 30 LEU CB C 22 44.939 44.120 0.819 2
1 386 . 1 1 A 30 30 LEU N N 22 131.939 127.421 4.518 2
1 387 . 1 1 A 31 31 ASP H H 23 8.513 9.353 -0.840 2
1 388 . 1 1 A 31 31 ASP HA H 23 5.151 5.166 -0.015 2
1 391 . 1 1 A 31 31 ASP C C 23 176.940 175.424 1.516 2
1 392 . 1 1 A 31 31 ASP CA C 23 53.671 53.401 0.270 2
1 393 . 1 1 A 31 31 ASP CB C 23 43.770 43.284 0.486 2
1 394 . 1 1 A 31 31 ASP N N 23 121.978 125.219 -3.241 2
1 395 . 1 1 A 32 32 ASN H H 24 9.280 9.312 -0.032 2
1 396 . 1 1 A 32 32 ASN HA H 24 4.421 4.445 -0.024 2
1 401 . 1 1 A 32 32 ASN C C 24 175.044 174.824 0.220 2
1 402 . 1 1 A 32 32 ASN CA C 24 54.362 54.228 0.134 2
1 403 . 1 1 A 32 32 ASN CB C 24 37.804 37.503 0.301 2
1 404 . 1 1 A 32 32 ASN N N 24 125.653 123.933 1.720 2
1 406 . 1 1 A 33 33 GLY H H 25 8.997 8.582 0.415 2
1 407 . 1 1 A 33 33 GLY HA2 H 25 3.581 3.839 -0.258 2
1 408 . 1 1 A 33 33 GLY HA3 H 25 4.154 3.840 0.314 2
1 409 . 1 1 A 33 33 GLY C C 25 173.215 173.705 -0.490 2
1 410 . 1 1 A 33 33 GLY CA C 25 45.930 45.487 0.443 2
1 411 . 1 1 A 33 33 GLY N N 25 102.623 104.445 -1.822 2
1 412 . 1 1 A 34 34 ILE H H 26 7.955 7.947 0.008 2
1 413 . 1 1 A 34 34 ILE HA H 26 4.771 4.442 0.329 2
1 423 . 1 1 A 34 34 ILE C C 26 174.753 173.915 0.838 2
1 424 . 1 1 A 34 34 ILE CA C 26 59.201 60.378 -1.177 2
1 425 . 1 1 A 34 34 ILE CB C 26 39.393 40.525 -1.132 2
1 429 . 1 1 A 34 34 ILE N N 26 122.350 122.938 -0.588 2
1 430 . 1 1 A 35 35 LEU H H 27 9.274 9.453 -0.179 2
1 431 . 1 1 A 35 35 LEU HA H 27 5.441 5.331 0.110 2
1 441 . 1 1 A 35 35 LEU C C 27 175.131 175.260 -0.129 2
1 442 . 1 1 A 35 35 LEU CA C 27 53.160 53.611 -0.451 2
1 443 . 1 1 A 35 35 LEU CB C 27 44.532 44.623 -0.091 2
1 447 . 1 1 A 35 35 LEU N N 27 132.013 130.888 1.125 2
1 448 . 1 1 A 36 36 SER H H 28 9.668 9.302 0.366 2
1 449 . 1 1 A 36 36 SER HA H 28 5.379 5.319 0.060 2
1 452 . 1 1 A 36 36 SER C C 28 171.968 173.462 -1.494 2
1 453 . 1 1 A 36 36 SER CA C 28 57.345 56.910 0.435 2
1 454 . 1 1 A 36 36 SER CB C 28 66.044 65.433 0.611 2
1 455 . 1 1 A 36 36 SER N N 28 123.682 123.559 0.123 2
1 456 . 1 1 A 37 37 TYR H H 29 7.452 8.258 -0.806 2
1 457 . 1 1 A 37 37 TYR HA H 29 5.658 5.595 0.063 2
1 464 . 1 1 A 37 37 TYR C C 29 172.731 173.695 -0.964 2
1 465 . 1 1 A 37 37 TYR CA C 29 54.632 55.021 -0.389 2
1 466 . 1 1 A 37 37 TYR CB C 29 39.599 41.503 -1.904 2
1 471 . 1 1 A 37 37 TYR N N 29 115.554 120.057 -4.503 2
1 472 . 1 1 A 38 38 TYR H H 30 9.116 9.145 -0.029 2
1 473 . 1 1 A 38 38 TYR HA H 30 4.626 4.926 -0.300 2
1 480 . 1 1 A 38 38 TYR C C 30 175.771 175.347 0.424 2
1 481 . 1 1 A 38 38 TYR CA C 30 56.194 56.726 -0.532 2
1 482 . 1 1 A 38 38 TYR CB C 30 43.253 43.090 0.162 2
1 487 . 1 1 A 38 38 TYR N N 30 117.937 119.236 -1.299 2
1 488 . 1 1 A 39 39 ASP H H 31 9.474 9.572 -0.098 2
1 489 . 1 1 A 39 39 ASP HA H 31 4.624 4.563 0.061 2
1 492 . 1 1 A 39 39 ASP C C 31 176.264 175.778 0.486 2
1 493 . 1 1 A 39 39 ASP CA C 31 58.144 56.495 1.649 2
1 494 . 1 1 A 39 39 ASP CB C 31 40.399 41.823 -1.424 2
1 495 . 1 1 A 39 39 ASP N N 31 121.988 122.168 -0.180 2
1 496 . 1 1 A 40 40 SER H H 32 7.511 7.839 -0.328 2
1 497 . 1 1 A 40 40 SER HA H 32 4.567 4.640 -0.073 2
1 500 . 1 1 A 40 40 SER C C 32 173.752 173.954 -0.202 2
1 501 . 1 1 A 40 40 SER CA C 32 57.211 57.006 0.205 2
1 502 . 1 1 A 40 40 SER CB C 32 65.547 65.495 0.052 2
1 503 . 1 1 A 40 40 SER N N 32 107.441 110.157 -2.716 2
1 504 . 1 1 A 41 41 GLN H H 33 8.828 8.344 0.484 2
1 505 . 1 1 A 41 41 GLN HA H 33 2.511 3.001 -0.490 2
1 512 . 1 1 A 41 41 GLN C C 33 177.001 176.394 0.607 2
1 513 . 1 1 A 41 41 GLN CA C 33 58.261 58.665 -0.404 2
1 514 . 1 1 A 41 41 GLN CB C 33 27.168 27.990 -0.822 2
1 516 . 1 1 A 41 41 GLN N N 33 123.170 121.985 1.185 2
1 518 . 1 1 A 42 42 ASP H H 34 7.774 8.141 -0.367 2
1 519 . 1 1 A 42 42 ASP HA H 34 4.289 4.245 0.044 2
1 522 . 1 1 A 42 42 ASP C C 34 176.567 177.882 -1.315 2
1 523 . 1 1 A 42 42 ASP CA C 34 55.710 57.246 -1.536 2
1 524 . 1 1 A 42 42 ASP CB C 34 40.459 41.502 -1.043 2
1 525 . 1 1 A 42 42 ASP N N 34 116.558 119.637 -3.079 2
1 526 . 1 1 A 43 43 ASP H H 35 7.388 7.922 -0.534 2
1 527 . 1 1 A 43 43 ASP HA H 35 4.755 4.368 0.387 2
1 530 . 1 1 A 43 43 ASP C C 35 177.129 178.534 -1.405 2
1 531 . 1 1 A 43 43 ASP CA C 35 54.563 56.176 -1.613 2
1 532 . 1 1 A 43 43 ASP CB C 35 42.434 41.121 1.313 2
1 533 . 1 1 A 43 43 ASP N N 35 117.173 119.345 -2.172 2
1 534 . 1 1 A 44 44 VAL H H 36 7.063 7.453 -0.390 2
1 535 . 1 1 A 44 44 VAL HA H 36 3.372 1.961 1.411 2
1 543 . 1 1 A 44 44 VAL C C 36 178.169 177.816 0.353 2
1 544 . 1 1 A 44 44 VAL CA C 36 65.325 65.687 -0.362 2
1 545 . 1 1 A 44 44 VAL CB C 36 31.179 30.987 0.192 2
1 548 . 1 1 A 44 44 VAL N N 36 121.695 118.946 2.749 2
1 549 . 1 1 A 45 45 CYS H H 37 8.133 7.830 0.303 2
1 550 . 1 1 A 45 45 CYS HA H 37 4.425 4.175 0.250 2
1 553 . 1 1 A 45 45 CYS C C 37 175.083 176.905 -1.822 2
1 554 . 1 1 A 45 45 CYS CA C 37 59.202 61.972 -2.770 2
1 555 . 1 1 A 45 45 CYS CB C 37 27.101 26.863 0.238 2
1 556 . 1 1 A 45 45 CYS N N 37 115.191 118.738 -3.547 2
1 557 . 1 1 A 46 46 LYS H H 38 7.844 7.508 0.336 2
1 558 . 1 1 A 46 46 LYS HA H 38 4.428 4.100 0.328 2
1 567 . 1 1 A 46 46 LYS C C 38 177.049 177.426 -0.377 2
1 568 . 1 1 A 46 46 LYS CA C 38 56.787 57.255 -0.468 2
1 569 . 1 1 A 46 46 LYS CB C 38 33.119 32.804 0.315 2
1 573 . 1 1 A 46 46 LYS N N 38 121.496 117.734 3.762 2
1 574 . 1 1 A 47 47 GLY H H 39 7.759 7.714 0.045 2
1 575 . 1 1 A 47 47 GLY HA2 H 39 4.022 4.069 -0.047 2
1 576 . 1 1 A 47 47 GLY HA3 H 39 4.542 4.153 0.389 2
1 577 . 1 1 A 47 47 GLY C C 39 173.037 173.681 -0.644 2
1 578 . 1 1 A 47 47 GLY CA C 39 44.261 45.104 -0.843 2
1 579 . 1 1 A 47 47 GLY N N 39 107.270 107.008 0.262 2
1 580 . 1 1 A 48 48 SER H H 40 8.478 8.582 -0.104 2
1 581 . 1 1 A 48 48 SER HA H 40 3.783 4.585 -0.802 2
1 584 . 1 1 A 48 48 SER C C 40 175.221 174.734 0.487 2
1 585 . 1 1 A 48 48 SER CA C 40 57.947 58.433 -0.486 2
1 586 . 1 1 A 48 48 SER CB C 40 63.811 63.654 0.157 2
1 587 . 1 1 A 48 48 SER N N 40 116.121 117.263 -1.142 2
1 588 . 1 1 A 49 49 LYS H H 41 8.394 8.857 -0.463 2
1 589 . 1 1 A 49 49 LYS HA H 41 4.188 4.445 -0.257 2
1 598 . 1 1 A 49 49 LYS C C 41 176.470 176.550 -0.080 2
1 599 . 1 1 A 49 49 LYS CA C 41 55.331 56.544 -1.213 2
1 600 . 1 1 A 49 49 LYS CB C 41 32.293 32.980 -0.687 2
1 604 . 1 1 A 49 49 LYS N N 41 120.990 124.281 -3.291 2
1 605 . 1 1 A 50 50 GLY H H 42 6.747 7.576 -0.829 2
1 606 . 1 1 A 50 50 GLY HA2 H 42 3.531 3.990 -0.459 2
1 607 . 1 1 A 50 50 GLY HA3 H 42 3.884 4.054 -0.170 2
1 608 . 1 1 A 50 50 GLY C C 42 170.967 172.416 -1.449 2
1 609 . 1 1 A 50 50 GLY CA C 42 45.060 45.231 -0.172 2
1 610 . 1 1 A 50 50 GLY N N 42 106.048 107.286 -1.238 2
1 611 . 1 1 A 51 51 SER H H 43 8.158 8.620 -0.462 2
1 612 . 1 1 A 51 51 SER HA H 43 5.343 5.004 0.339 2
1 615 . 1 1 A 51 51 SER C C 43 172.787 172.779 0.008 2
1 616 . 1 1 A 51 51 SER CA C 43 57.639 57.558 0.081 2
1 617 . 1 1 A 51 51 SER CB C 43 65.897 66.008 -0.111 2
1 618 . 1 1 A 51 51 SER N N 43 113.080 117.580 -4.500 2
1 619 . 1 1 A 52 52 ILE H H 44 9.306 9.262 0.044 2
1 620 . 1 1 A 52 52 ILE HA H 44 4.203 4.694 -0.491 2
1 630 . 1 1 A 52 52 ILE C C 44 174.340 174.632 -0.292 2
1 631 . 1 1 A 52 52 ILE CA C 44 60.326 60.402 -0.076 2
1 632 . 1 1 A 52 52 ILE CB C 44 42.302 39.487 2.815 2
1 636 . 1 1 A 52 52 ILE N N 44 123.385 122.223 1.162 2
1 637 . 1 1 A 53 53 LYS H H 45 8.495 8.714 -0.219 2
1 638 . 1 1 A 53 53 LYS HA H 45 4.444 4.587 -0.143 2
1 647 . 1 1 A 53 53 LYS C C 45 176.283 176.398 -0.115 2
1 648 . 1 1 A 53 53 LYS CA C 45 56.255 56.218 0.038 2
1 649 . 1 1 A 53 53 LYS CB C 45 32.258 32.453 -0.195 2
1 653 . 1 1 A 53 53 LYS N N 45 127.498 129.068 -1.570 2
1 654 . 1 1 A 54 54 MET H H 46 8.190 8.507 -0.317 2
1 655 . 1 1 A 54 54 MET HA H 46 4.585 4.162 0.423 2
1 663 . 1 1 A 54 54 MET C C 46 178.779 178.048 0.731 2
1 664 . 1 1 A 54 54 MET CA C 46 55.549 58.610 -3.061 2
1 665 . 1 1 A 54 54 MET CB C 46 29.465 31.821 -2.356 2
1 668 . 1 1 A 54 54 MET N N 46 123.817 125.171 -1.354 2
1 669 . 1 1 A 55 55 ALA H H 47 8.860 7.847 1.013 2
1 670 . 1 1 A 55 55 ALA HA H 47 4.142 4.156 -0.014 2
1 674 . 1 1 A 55 55 ALA C C 47 178.752 177.837 0.915 2
1 675 . 1 1 A 55 55 ALA CA C 47 55.004 54.274 0.730 2
1 676 . 1 1 A 55 55 ALA CB C 47 19.312 18.425 0.887 2
1 677 . 1 1 A 55 55 ALA N N 47 119.194 120.984 -1.790 2
1 678 . 1 1 A 56 56 VAL H H 48 7.127 8.095 -0.968 2
1 679 . 1 1 A 56 56 VAL HA H 48 4.592 4.370 0.222 2
1 687 . 1 1 A 56 56 VAL C C 48 174.965 175.489 -0.524 2
1 688 . 1 1 A 56 56 VAL CA C 48 60.038 61.483 -1.445 2
1 689 . 1 1 A 56 56 VAL CB C 48 31.878 33.607 -1.729 2
1 692 . 1 1 A 56 56 VAL N N 48 105.989 116.694 -10.704 2
1 693 . 1 1 A 57 57 CYS H H 49 7.414 7.652 -0.238 2
1 694 . 1 1 A 57 57 CYS HA H 49 4.897 5.143 -0.246 2
1 697 . 1 1 A 57 57 CYS C C 49 173.836 173.184 0.652 2
1 698 . 1 1 A 57 57 CYS CA C 49 58.123 57.313 0.810 2
1 699 . 1 1 A 57 57 CYS CB C 49 30.078 30.571 -0.493 2
1 700 . 1 1 A 57 57 CYS N N 49 119.973 120.819 -0.846 2
1 701 . 1 1 A 58 58 GLU H H 50 8.852 9.030 -0.178 2
1 702 . 1 1 A 58 58 GLU HA H 50 4.674 4.737 -0.063 2
1 707 . 1 1 A 58 58 GLU C C 50 175.085 175.101 -0.017 2
1 708 . 1 1 A 58 58 GLU CA C 50 54.809 56.084 -1.275 2
1 709 . 1 1 A 58 58 GLU CB C 50 31.856 30.906 0.950 2
1 711 . 1 1 A 58 58 GLU N N 50 124.719 125.647 -0.928 2
1 712 . 1 1 A 59 59 ILE H H 51 8.731 8.817 -0.086 2
1 713 . 1 1 A 59 59 ILE HA H 51 4.625 4.931 -0.306 2
1 723 . 1 1 A 59 59 ILE C C 51 175.513 174.274 1.239 2
1 724 . 1 1 A 59 59 ILE CA C 51 60.675 60.227 0.448 2
1 725 . 1 1 A 59 59 ILE CB C 51 39.717 39.942 -0.225 2
1 729 . 1 1 A 59 59 ILE N N 51 124.286 125.478 -1.192 2
1 730 . 1 1 A 60 60 LYS H H 52 9.212 9.265 -0.053 2
1 731 . 1 1 A 60 60 LYS HA H 52 4.829 4.697 0.131 2
1 740 . 1 1 A 60 60 LYS C C 52 175.594 175.370 0.224 2
1 741 . 1 1 A 60 60 LYS CA C 52 54.490 55.998 -1.508 2
1 742 . 1 1 A 60 60 LYS CB C 52 34.908 32.927 1.981 2
1 746 . 1 1 A 60 60 LYS N N 52 128.004 129.256 -1.252 2
1 747 . 1 1 A 61 61 VAL H H 53 8.776 8.791 -0.015 2
1 748 . 1 1 A 61 61 VAL HA H 53 4.087 4.772 -0.685 2
1 756 . 1 1 A 61 61 VAL C C 53 175.262 175.124 0.138 2
1 757 . 1 1 A 61 61 VAL CA C 53 62.067 61.346 0.721 2
1 758 . 1 1 A 61 61 VAL CB C 53 33.296 34.171 -0.875 2
1 761 . 1 1 A 61 61 VAL N N 53 124.000 124.533 -0.533 2
1 762 . 1 1 A 62 62 HIS H H 54 7.677 8.926 -1.249 2
1 763 . 1 1 A 62 62 HIS HA H 54 4.456 4.768 -0.312 2
1 766 . 1 1 A 62 62 HIS C C 54 176.465 174.828 1.637 2
1 767 . 1 1 A 62 62 HIS CA C 54 57.986 56.398 1.588 2
1 768 . 1 1 A 62 62 HIS CB C 54 32.369 31.646 0.723 2
1 769 . 1 1 A 62 62 HIS N N 54 127.177 126.475 0.702 2
1 770 . 1 1 A 63 63 SER H H 55 8.552 8.368 0.184 2
1 771 . 1 1 A 63 63 SER HA H 55 4.251 4.381 -0.130 2
1 774 . 1 1 A 63 63 SER C C 55 174.509 173.762 0.747 2
1 775 . 1 1 A 63 63 SER CA C 55 60.312 58.903 1.409 2
1 776 . 1 1 A 63 63 SER CB C 55 63.609 63.389 0.220 2
1 777 . 1 1 A 63 63 SER N N 55 120.508 114.955 5.553 2
1 778 . 1 1 A 64 64 ALA H H 56 8.807 8.085 0.722 2
1 779 . 1 1 A 64 64 ALA HA H 56 4.553 4.373 0.180 2
1 783 . 1 1 A 64 64 ALA C C 56 176.763 176.568 0.195 2
1 784 . 1 1 A 64 64 ALA CA C 56 53.183 52.114 1.069 2
1 785 . 1 1 A 64 64 ALA CB C 56 20.619 19.311 1.308 2
1 786 . 1 1 A 64 64 ALA N N 56 124.728 123.862 0.866 2
1 787 . 1 1 A 65 65 ASP H H 57 8.762 8.310 0.452 2
1 788 . 1 1 A 65 65 ASP HA H 57 4.689 4.775 -0.086 2
1 791 . 1 1 A 65 65 ASP C C 57 176.322 175.546 0.776 2
1 792 . 1 1 A 65 65 ASP CA C 57 52.911 53.625 -0.714 2
1 793 . 1 1 A 65 65 ASP CB C 57 41.216 41.806 -0.590 2
1 794 . 1 1 A 65 65 ASP N N 57 120.574 119.864 0.710 2
1 795 . 1 1 A 66 66 ASN H H 58 8.457 8.541 -0.084 2
1 796 . 1 1 A 66 66 ASN HA H 58 4.580 4.802 -0.222 2
1 801 . 1 1 A 66 66 ASN C C 58 174.296 175.357 -1.061 2
1 802 . 1 1 A 66 66 ASN CA C 58 54.146 52.994 1.152 2
1 803 . 1 1 A 66 66 ASN CB C 58 37.538 39.306 -1.768 2
1 804 . 1 1 A 66 66 ASN N N 58 122.233 120.212 2.021 2
1 806 . 1 1 A 67 67 THR H H 59 8.411 8.483 -0.072 2
1 807 . 1 1 A 67 67 THR HA H 59 4.284 4.143 0.141 2
1 812 . 1 1 A 67 67 THR C C 59 175.932 173.743 2.189 2
1 813 . 1 1 A 67 67 THR CA C 59 62.159 63.007 -0.848 2
1 814 . 1 1 A 67 67 THR CB C 59 70.025 67.359 2.666 2
1 816 . 1 1 A 67 67 THR N N 59 104.777 117.004 -12.227 2
1 817 . 1 1 A 68 68 ARG H H 60 7.589 7.977 -0.388 2
1 818 . 1 1 A 68 68 ARG HA H 60 5.044 4.601 0.443 2
1 825 . 1 1 A 68 68 ARG C C 60 176.482 175.017 1.465 2
1 826 . 1 1 A 68 68 ARG CA C 60 56.516 55.247 1.269 2
1 827 . 1 1 A 68 68 ARG CB C 60 34.348 31.090 3.258 2
1 830 . 1 1 A 68 68 ARG N N 60 122.336 122.274 0.062 2
1 831 . 1 1 A 69 69 MET H H 61 9.018 8.134 0.884 2
1 832 . 1 1 A 69 69 MET HA H 61 4.997 5.148 -0.151 2
1 840 . 1 1 A 69 69 MET C C 61 172.463 174.283 -1.820 2
1 841 . 1 1 A 69 69 MET CA C 61 55.330 53.894 1.436 2
1 842 . 1 1 A 69 69 MET CB C 61 37.234 37.151 0.083 2
1 845 . 1 1 A 69 69 MET N N 61 119.640 122.772 -3.132 2
1 846 . 1 1 A 70 70 GLU H H 62 8.996 8.838 0.158 2
1 847 . 1 1 A 70 70 GLU HA H 62 5.365 4.995 0.370 2
1 852 . 1 1 A 70 70 GLU C C 62 173.523 174.727 -1.204 2
1 853 . 1 1 A 70 70 GLU CA C 62 54.326 54.828 -0.502 2
1 854 . 1 1 A 70 70 GLU CB C 62 33.915 33.412 0.503 2
1 856 . 1 1 A 70 70 GLU N N 62 122.200 123.392 -1.192 2
1 857 . 1 1 A 71 71 LEU H H 63 8.763 9.360 -0.597 2
1 858 . 1 1 A 71 71 LEU HA H 63 5.222 5.323 -0.101 2
1 868 . 1 1 A 71 71 LEU C C 63 175.719 174.972 0.746 2
1 869 . 1 1 A 71 71 LEU CA C 63 53.222 53.539 -0.317 2
1 870 . 1 1 A 71 71 LEU CB C 63 43.781 43.078 0.703 2
1 874 . 1 1 A 71 71 LEU N N 63 123.741 127.062 -3.321 2
1 875 . 1 1 A 72 72 ILE H H 64 9.006 9.317 -0.311 2
1 876 . 1 1 A 72 72 ILE HA H 64 4.316 5.090 -0.774 2
1 886 . 1 1 A 72 72 ILE C C 64 175.349 173.490 1.859 2
1 887 . 1 1 A 72 72 ILE CA C 64 60.921 60.238 0.683 2
1 888 . 1 1 A 72 72 ILE CB C 64 39.919 40.941 -1.022 2
1 892 . 1 1 A 72 72 ILE N N 64 123.633 126.580 -2.947 2
1 893 . 1 1 A 73 73 ILE H H 65 8.601 9.055 -0.454 2
1 894 . 1 1 A 73 73 ILE HA H 65 4.854 4.793 0.061 2
1 904 . 1 1 A 73 73 ILE CA C 65 58.440 57.418 1.022 2
1 905 . 1 1 A 73 73 ILE CB C 65 39.820 41.089 -1.269 2
1 909 . 1 1 A 73 73 ILE N N 65 128.410 129.684 -1.274 2
1 910 . 1 1 A 74 74 PRO HA H 66 4.265 4.323 -0.058 2
1 917 . 1 1 A 74 74 PRO C C 66 177.170 177.439 -0.269 2
1 918 . 1 1 A 74 74 PRO CA C 66 64.500 64.041 0.459 2
1 919 . 1 1 A 74 74 PRO CB C 66 31.826 31.448 0.378 2
1 922 . 1 1 A 75 75 GLY H H 67 8.704 8.701 0.003 2
1 923 . 1 1 A 75 75 GLY HA2 H 67 3.753 3.963 -0.210 2
1 924 . 1 1 A 75 75 GLY HA3 H 67 4.251 3.976 0.275 2
1 925 . 1 1 A 75 75 GLY C C 67 174.192 175.276 -1.084 2
1 926 . 1 1 A 75 75 GLY CA C 67 45.479 45.665 -0.186 2
1 927 . 1 1 A 75 75 GLY N N 67 111.825 112.486 -0.661 2
1 928 . 1 1 A 76 76 GLU H H 68 8.258 7.993 0.265 2
1 929 . 1 1 A 76 76 GLU HA H 68 4.483 4.456 0.027 2
1 934 . 1 1 A 76 76 GLU C C 68 175.838 177.155 -1.317 2
1 935 . 1 1 A 76 76 GLU CA C 68 56.178 58.254 -2.076 2
1 936 . 1 1 A 76 76 GLU CB C 68 31.066 30.687 0.379 2
1 938 . 1 1 A 76 76 GLU N N 68 118.446 119.783 -1.337 2
1 939 . 1 1 A 77 77 GLN H H 69 8.102 8.252 -0.151 2
1 940 . 1 1 A 77 77 GLN HA H 69 4.556 4.475 0.081 2
1 947 . 1 1 A 77 77 GLN C C 69 175.179 175.345 -0.166 2
1 948 . 1 1 A 77 77 GLN CA C 69 55.633 56.716 -1.083 2
1 949 . 1 1 A 77 77 GLN CB C 69 31.116 28.860 2.256 2
1 951 . 1 1 A 77 77 GLN N N 69 117.826 119.271 -1.445 2
1 953 . 1 1 A 78 78 HIS H H 70 8.857 8.935 -0.078 2
1 954 . 1 1 A 78 78 HIS HA H 70 4.923 4.150 0.773 2
1 957 . 1 1 A 78 78 HIS C C 70 173.113 173.713 -0.600 2
1 958 . 1 1 A 78 78 HIS CA C 70 54.623 56.716 -2.093 2
1 959 . 1 1 A 78 78 HIS CB C 70 30.231 28.258 1.973 2
1 960 . 1 1 A 78 78 HIS N N 70 120.752 118.917 1.835 2
1 961 . 1 1 A 79 79 PHE H H 71 9.120 7.513 1.607 2
1 962 . 1 1 A 79 79 PHE HA H 71 4.797 4.840 -0.044 2
1 967 . 1 1 A 79 79 PHE C C 71 174.341 173.858 0.483 2
1 968 . 1 1 A 79 79 PHE CA C 71 56.191 56.408 -0.217 2
1 969 . 1 1 A 79 79 PHE CB C 71 40.983 40.014 0.969 2
1 970 . 1 1 A 79 79 PHE N N 71 124.577 118.745 5.832 2
1 971 . 1 1 A 80 80 TYR H H 72 8.883 9.033 -0.150 2
1 972 . 1 1 A 80 80 TYR HA H 72 5.142 5.204 -0.062 2
1 979 . 1 1 A 80 80 TYR C C 72 175.115 174.095 1.020 2
1 980 . 1 1 A 80 80 TYR CA C 72 57.353 56.725 0.628 2
1 981 . 1 1 A 80 80 TYR CB C 72 39.753 41.589 -1.836 2
1 986 . 1 1 A 80 80 TYR N N 72 124.010 125.455 -1.445 2
1 987 . 1 1 A 81 81 MET H H 73 8.824 8.433 0.391 2
1 988 . 1 1 A 81 81 MET HA H 73 5.983 5.115 0.868 2
1 996 . 1 1 A 81 81 MET C C 73 175.053 174.492 0.561 2
1 997 . 1 1 A 81 81 MET CA C 73 54.453 53.839 0.614 2
1 998 . 1 1 A 81 81 MET CB C 73 38.584 35.802 2.782 2
1 1001 . 1 1 A 81 81 MET N N 73 120.151 125.730 -5.579 2
1 1002 . 1 1 A 82 82 LYS H H 74 9.103 8.715 0.388 2
1 1003 . 1 1 A 82 82 LYS HA H 74 4.800 4.870 -0.070 2
1 1012 . 1 1 A 82 82 LYS C C 74 174.244 175.591 -1.347 2
1 1013 . 1 1 A 82 82 LYS CA C 74 55.314 54.966 0.348 2
1 1014 . 1 1 A 82 82 LYS CB C 74 36.251 36.014 0.237 2
1 1018 . 1 1 A 82 82 LYS N N 74 121.097 123.724 -2.627 2
1 1019 . 1 1 A 83 83 ALA H H 75 8.740 8.551 0.189 2
1 1020 . 1 1 A 83 83 ALA HA H 75 4.786 4.608 0.178 2
1 1024 . 1 1 A 83 83 ALA C C 75 177.126 178.295 -1.169 2
1 1025 . 1 1 A 83 83 ALA CA C 75 49.893 51.479 -1.586 2
1 1026 . 1 1 A 83 83 ALA CB C 75 21.311 20.149 1.162 2
1 1027 . 1 1 A 83 83 ALA N N 75 126.624 128.095 -1.472 2
1 1028 . 1 1 A 84 84 VAL H H 76 9.105 8.667 0.438 2
1 1029 . 1 1 A 84 84 VAL HA H 76 3.835 3.853 -0.019 2
1 1037 . 1 1 A 84 84 VAL C C 76 175.635 176.043 -0.408 2
1 1038 . 1 1 A 84 84 VAL CA C 76 64.888 65.619 -0.731 2
1 1039 . 1 1 A 84 84 VAL CB C 76 32.097 32.139 -0.042 2
1 1042 . 1 1 A 84 84 VAL N N 76 115.195 119.202 -4.007 2
1 1043 . 1 1 A 85 85 ASN H H 77 7.278 7.987 -0.709 2
1 1044 . 1 1 A 85 85 ASN HA H 77 4.476 5.032 -0.555 2
1 1049 . 1 1 A 85 85 ASN C C 77 174.796 175.471 -0.675 2
1 1050 . 1 1 A 85 85 ASN CA C 77 52.193 51.439 0.754 2
1 1051 . 1 1 A 85 85 ASN CB C 77 39.702 40.722 -1.020 2
1 1052 . 1 1 A 85 85 ASN N N 77 109.430 115.465 -6.035 2
1 1054 . 1 1 A 86 86 ALA H H 78 8.681 8.818 -0.137 2
1 1055 . 1 1 A 86 86 ALA HA H 78 4.195 4.019 0.176 2
1 1059 . 1 1 A 86 86 ALA C C 78 180.157 180.021 0.136 2
1 1060 . 1 1 A 86 86 ALA CA C 78 54.919 55.475 -0.556 2
1 1061 . 1 1 A 86 86 ALA CB C 78 18.721 18.191 0.530 2
1 1062 . 1 1 A 86 86 ALA N N 78 121.886 121.999 -0.113 2
1 1063 . 1 1 A 87 87 ALA H H 79 8.386 8.117 0.269 2
1 1064 . 1 1 A 87 87 ALA HA H 79 4.200 4.014 0.186 2
1 1068 . 1 1 A 87 87 ALA C C 79 181.167 180.102 1.065 2
1 1069 . 1 1 A 87 87 ALA CA C 79 55.195 55.241 -0.046 2
1 1070 . 1 1 A 87 87 ALA CB C 79 17.663 18.266 -0.603 2
1 1071 . 1 1 A 87 87 ALA N N 79 123.939 120.020 3.919 2
1 1072 . 1 1 A 88 88 GLU H H 80 8.743 8.108 0.635 2
1 1073 . 1 1 A 88 88 GLU HA H 80 4.260 4.047 0.213 2
1 1078 . 1 1 A 88 88 GLU C C 80 178.848 179.287 -0.439 2
1 1079 . 1 1 A 88 88 GLU CA C 80 59.191 59.483 -0.292 2
1 1080 . 1 1 A 88 88 GLU CB C 80 29.898 29.254 0.644 2
1 1082 . 1 1 A 88 88 GLU N N 80 119.694 117.949 1.745 2
1 1083 . 1 1 A 89 89 ARG H H 81 7.936 8.270 -0.334 2
1 1084 . 1 1 A 89 89 ARG HA H 81 3.780 4.081 -0.301 2
1 1087 . 1 1 A 89 89 ARG C C 81 177.596 178.764 -1.168 2
1 1088 . 1 1 A 89 89 ARG CA C 81 61.042 59.426 1.616 2
1 1089 . 1 1 A 89 89 ARG CB C 81 29.630 29.883 -0.253 2
1 1090 . 1 1 A 89 89 ARG N N 81 119.080 120.925 -1.845 2
1 1091 . 1 1 A 90 90 GLN H H 82 8.063 8.008 0.055 2
1 1092 . 1 1 A 90 90 GLN HA H 82 4.039 4.045 -0.006 2
1 1099 . 1 1 A 90 90 GLN C C 82 177.419 178.301 -0.882 2
1 1100 . 1 1 A 90 90 GLN CA C 82 59.069 59.054 0.015 2
1 1101 . 1 1 A 90 90 GLN CB C 82 27.786 28.292 -0.506 2
1 1103 . 1 1 A 90 90 GLN N N 82 118.390 118.509 -0.119 2
1 1105 . 1 1 A 91 91 ARG H H 83 7.700 7.593 0.107 2
1 1106 . 1 1 A 91 91 ARG HA H 83 3.961 3.971 -0.010 2
1 1114 . 1 1 A 91 91 ARG C C 83 180.016 179.009 1.007 2
1 1115 . 1 1 A 91 91 ARG CA C 83 59.750 59.536 0.214 2
1 1116 . 1 1 A 91 91 ARG CB C 83 30.401 29.689 0.712 2
1 1119 . 1 1 A 91 91 ARG N N 83 117.912 118.635 -0.722 2
1 1121 . 1 1 A 92 92 TRP H H 84 7.895 7.768 0.127 2
1 1122 . 1 1 A 92 92 TRP HA H 84 4.115 4.464 -0.349 2
1 1130 . 1 1 A 92 92 TRP C C 84 178.111 179.160 -1.049 2
1 1131 . 1 1 A 92 92 TRP CA C 84 61.633 59.757 1.876 2
1 1132 . 1 1 A 92 92 TRP CB C 84 29.032 29.472 -0.440 2
1 1137 . 1 1 A 92 92 TRP N N 84 119.237 121.072 -1.835 2
1 1139 . 1 1 A 93 93 LEU H H 85 8.988 8.708 0.280 2
1 1140 . 1 1 A 93 93 LEU HA H 85 3.978 3.998 -0.020 2
1 1150 . 1 1 A 93 93 LEU C C 85 180.925 179.677 1.248 2
1 1151 . 1 1 A 93 93 LEU CA C 85 58.716 57.863 0.853 2
1 1152 . 1 1 A 93 93 LEU CB C 85 41.506 41.221 0.285 2
1 1156 . 1 1 A 93 93 LEU N N 85 119.853 120.193 -0.340 2
1 1157 . 1 1 A 94 94 VAL H H 86 8.233 8.328 -0.095 2
1 1158 . 1 1 A 94 94 VAL HA H 86 3.695 3.515 0.180 2
1 1166 . 1 1 A 94 94 VAL C C 86 178.733 177.828 0.905 2
1 1167 . 1 1 A 94 94 VAL CA C 86 66.250 66.606 -0.356 2
1 1168 . 1 1 A 94 94 VAL CB C 86 31.886 31.516 0.370 2
1 1171 . 1 1 A 94 94 VAL N N 86 120.164 119.883 0.281 2
1 1172 . 1 1 A 95 95 ALA H H 87 7.345 7.707 -0.362 2
1 1173 . 1 1 A 95 95 ALA HA H 87 4.113 4.019 0.094 2
1 1177 . 1 1 A 95 95 ALA C C 87 180.055 180.378 -0.323 2
1 1178 . 1 1 A 95 95 ALA CA C 87 55.410 55.372 0.038 2
1 1179 . 1 1 A 95 95 ALA CB C 87 18.816 18.494 0.322 2
1 1180 . 1 1 A 95 95 ALA N N 87 123.818 121.626 2.192 2
1 1181 . 1 1 A 96 96 LEU H H 88 9.342 8.774 0.568 2
1 1182 . 1 1 A 96 96 LEU HA H 88 4.003 4.004 -0.001 2
1 1192 . 1 1 A 96 96 LEU C C 88 179.349 179.420 -0.071 2
1 1193 . 1 1 A 96 96 LEU CA C 88 57.786 58.181 -0.395 2
1 1194 . 1 1 A 96 96 LEU CB C 88 41.848 41.840 0.008 2
1 1198 . 1 1 A 96 96 LEU N N 88 117.857 118.426 -0.569 2
1 1199 . 1 1 A 97 97 GLY H H 89 8.252 8.404 -0.152 2
1 1200 . 1 1 A 97 97 GLY HA2 H 89 3.819 3.831 -0.012 2
1 1201 . 1 1 A 97 97 GLY HA3 H 89 3.948 3.833 0.115 2
1 1202 . 1 1 A 97 97 GLY C C 89 176.463 176.276 0.187 2
1 1203 . 1 1 A 97 97 GLY CA C 89 46.620 47.455 -0.835 2
1 1204 . 1 1 A 97 97 GLY N N 89 105.618 106.174 -0.556 2
1 1205 . 1 1 A 98 98 SER H H 90 8.068 7.960 0.108 2
1 1206 . 1 1 A 98 98 SER HA H 90 4.377 4.170 0.206 2
1 1209 . 1 1 A 98 98 SER C C 90 176.144 176.620 -0.476 2
1 1210 . 1 1 A 98 98 SER CA C 90 60.842 61.609 -0.767 2
1 1211 . 1 1 A 98 98 SER CB C 90 63.116 62.758 0.358 2
1 1212 . 1 1 A 98 98 SER N N 90 117.602 117.594 0.008 2
1 1213 . 1 1 A 99 99 SER H H 91 8.036 7.815 0.221 2
1 1214 . 1 1 A 99 99 SER HA H 91 4.324 4.204 0.120 2
1 1217 . 1 1 A 99 99 SER C C 91 175.818 176.908 -1.090 2
1 1218 . 1 1 A 99 99 SER CA C 91 60.720 61.404 -0.684 2
1 1219 . 1 1 A 99 99 SER CB C 91 63.831 62.979 0.852 2
1 1220 . 1 1 A 99 99 SER N N 91 116.877 116.943 -0.066 2
1 1221 . 1 1 A 100 100 LYS H H 92 7.838 7.753 0.085 2
1 1222 . 1 1 A 100 100 LYS HA H 92 4.068 4.046 0.022 2
1 1231 . 1 1 A 100 100 LYS C C 92 177.235 177.855 -0.620 2
1 1232 . 1 1 A 100 100 LYS CA C 92 58.121 58.851 -0.730 2
1 1233 . 1 1 A 100 100 LYS CB C 92 32.263 32.083 0.180 2
1 1237 . 1 1 A 100 100 LYS N N 92 119.456 121.508 -2.052 2
1 1238 . 1 1 A 101 101 ALA H H 93 7.924 7.617 0.307 2
1 1239 . 1 1 A 101 101 ALA HA H 93 4.321 4.282 0.039 2
1 1243 . 1 1 A 101 101 ALA C C 93 178.323 178.039 0.284 2
1 1244 . 1 1 A 101 101 ALA CA C 93 53.435 52.864 0.571 2
1 1245 . 1 1 A 101 101 ALA CB C 93 18.969 18.426 0.543 2
1 1246 . 1 1 A 101 101 ALA N N 93 122.054 120.648 1.406 2
1 1247 . 1 1 A 102 102 SER H H 94 8.061 8.562 -0.501 2
1 1248 . 1 1 A 102 102 SER HA H 94 4.451 4.085 0.366 2
1 1251 . 1 1 A 102 102 SER C C 94 174.773 173.477 1.296 2
1 1252 . 1 1 A 102 102 SER CA C 94 59.086 59.037 0.049 2
1 1253 . 1 1 A 102 102 SER CB C 94 63.766 61.325 2.441 2
1 1254 . 1 1 A 102 102 SER N N 94 114.102 116.624 -2.522 2
1 1255 . 1 1 A 103 103 LEU H H 95 8.053 7.751 0.302 2
1 1256 . 1 1 A 103 103 LEU HA H 95 4.507 4.601 -0.094 2
1 1266 . 1 1 A 103 103 LEU C C 95 177.589 176.025 1.564 2
1 1267 . 1 1 A 103 103 LEU CA C 95 55.398 53.711 1.687 2
1 1268 . 1 1 A 103 103 LEU CB C 95 42.435 44.167 -1.732 2
1 1272 . 1 1 A 103 103 LEU N N 95 123.264 122.555 0.709 2
1 1273 . 1 1 A 104 104 THR H H 96 8.045 8.566 -0.521 2
1 1274 . 1 1 A 104 104 THR HA H 96 4.383 4.411 -0.028 2
1 1279 . 1 1 A 104 104 THR C C 96 174.128 173.689 0.439 2
1 1280 . 1 1 A 104 104 THR CA C 96 61.982 61.572 0.410 2
1 1281 . 1 1 A 104 104 THR CB C 96 69.938 70.035 -0.097 2
1 1283 . 1 1 A 104 104 THR N N 96 113.833 116.302 -2.469 2
1 1284 . 1 1 A 105 105 ASP H H 97 8.346 8.673 -0.327 2
1 1285 . 1 1 A 105 105 ASP HA H 97 4.740 4.659 0.081 2
1 1288 . 1 1 A 105 105 ASP C C 97 176.310 176.146 0.164 2
1 1289 . 1 1 A 105 105 ASP CA C 97 54.300 54.042 0.258 2
1 1290 . 1 1 A 105 105 ASP CB C 97 41.174 41.616 -0.442 2
1 1291 . 1 1 A 105 105 ASP N N 97 123.107 121.230 1.877 2
1 1292 . 1 1 A 106 106 THR H H 98 8.147 8.631 -0.484 2
1 1293 . 1 1 A 106 106 THR HA H 98 4.355 4.218 0.137 2
1 1298 . 1 1 A 106 106 THR C C 98 174.523 174.034 0.489 2
1 1299 . 1 1 A 106 106 THR CA C 98 61.937 62.449 -0.512 2
1 1300 . 1 1 A 106 106 THR CB C 98 69.656 67.517 2.139 2
1 1302 . 1 1 A 106 106 THR N N 98 114.857 115.645 -0.788 2
1 1303 . 1 1 A 107 107 ARG H H 99 8.385 8.174 0.211 2
1 1304 . 1 1 A 107 107 ARG HA H 99 4.442 4.620 -0.178 2
1 1312 . 1 1 A 107 107 ARG C C 99 175.764 175.635 0.129 2
1 1313 . 1 1 A 107 107 ARG CA C 99 56.311 55.467 0.844 2
1 1314 . 1 1 A 107 107 ARG CB C 99 30.745 31.739 -0.994 2
1 1317 . 1 1 A 107 107 ARG N N 99 123.999 123.254 0.745 2
stop_
save_