data_11077_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 11077
_Entry.PDB_ID 2RQL
_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 GLN H H 2 7.809 8.306 -0.497 1
1 2 . 1 1 1 A 2 2 GLN HA H 2 4.394 5.033 -0.639 1
1 7 . 1 1 1 A 2 2 GLN CA C 2 55.124 54.164 0.960 1
1 8 . 1 1 1 A 2 2 GLN CB C 2 30.385 31.899 -1.514 1
1 10 . 1 1 1 A 2 2 GLN N N 2 126.586 119.097 7.489 1
1 11 . 1 1 1 A 3 3 LEU H H 3 8.598 8.925 -0.327 1
1 12 . 1 1 1 A 3 3 LEU HA H 3 4.380 5.150 -0.770 1
1 22 . 1 1 1 A 3 3 LEU CA C 3 54.590 52.519 2.071 1
1 23 . 1 1 1 A 3 3 LEU CB C 3 43.701 45.697 -1.996 1
1 27 . 1 1 1 A 3 3 LEU N N 3 128.942 121.740 7.202 1
1 28 . 1 1 1 A 4 4 ASN H H 4 8.227 8.878 -0.651 1
1 29 . 1 1 1 A 4 4 ASN HA H 4 4.864 5.262 -0.398 1
1 32 . 1 1 1 A 4 4 ASN CA C 4 52.628 52.049 0.579 1
1 33 . 1 1 1 A 4 4 ASN CB C 4 41.258 42.788 -1.530 1
1 34 . 1 1 1 A 4 4 ASN N N 4 127.137 118.084 9.053 1
1 35 . 1 1 1 A 5 5 ILE H H 5 8.659 8.620 0.039 1
1 36 . 1 1 1 A 5 5 ILE HA H 5 4.901 5.215 -0.314 1
1 46 . 1 1 1 A 5 5 ILE CA C 5 60.288 59.142 1.146 1
1 47 . 1 1 1 A 5 5 ILE CB C 5 40.902 42.378 -1.476 1
1 51 . 1 1 1 A 5 5 ILE N N 5 126.355 117.036 9.319 1
1 52 . 1 1 1 A 6 6 THR H H 6 8.796 8.951 -0.155 1
1 53 . 1 1 1 A 6 6 THR HA H 6 4.654 4.881 -0.227 1
1 58 . 1 1 1 A 6 6 THR CA C 6 60.751 60.826 -0.075 1
1 59 . 1 1 1 A 6 6 THR CB C 6 71.993 71.546 0.447 1
1 61 . 1 1 1 A 6 6 THR N N 6 123.546 117.661 5.885 1
1 62 . 1 1 1 A 7 7 GLY H H 7 8.833 9.191 -0.358 1
1 63 . 1 1 1 A 7 7 GLY HA2 H 7 3.764 4.206 -0.442 1
1 64 . 1 1 1 A 7 7 GLY HA3 H 7 5.071 4.212 0.859 1
1 65 . 1 1 1 A 7 7 GLY CA C 7 44.318 44.775 -0.457 1
1 66 . 1 1 1 A 7 7 GLY N N 7 112.240 115.113 -2.873 1
1 67 . 1 1 1 A 8 8 ASN H H 8 8.962 8.316 0.646 1
1 68 . 1 1 1 A 8 8 ASN HA H 8 4.828 5.324 -0.496 1
1 71 . 1 1 1 A 8 8 ASN CA C 8 52.799 52.445 0.354 1
1 72 . 1 1 1 A 8 8 ASN CB C 8 39.244 39.318 -0.074 1
1 73 . 1 1 1 A 8 8 ASN N N 8 124.384 120.303 4.081 1
1 74 . 1 1 1 A 9 9 ASN H H 9 8.756 9.098 -0.342 1
1 75 . 1 1 1 A 9 9 ASN HA H 9 4.248 4.283 -0.035 1
1 78 . 1 1 1 A 9 9 ASN CA C 9 53.998 54.237 -0.239 1
1 79 . 1 1 1 A 9 9 ASN CB C 9 37.231 37.630 -0.399 1
1 80 . 1 1 1 A 9 9 ASN N N 9 120.082 118.374 1.708 1
1 81 . 1 1 1 A 10 10 VAL H H 10 6.825 7.739 -0.914 1
1 82 . 1 1 1 A 10 10 VAL HA H 10 4.097 4.555 -0.458 1
1 90 . 1 1 1 A 10 10 VAL CA C 10 60.425 60.263 0.162 1
1 91 . 1 1 1 A 10 10 VAL CB C 10 34.765 35.377 -0.612 1
1 94 . 1 1 1 A 10 10 VAL N N 10 115.342 117.532 -2.190 1
1 95 . 1 1 1 A 11 11 GLU H H 11 8.347 8.464 -0.117 1
1 96 . 1 1 1 A 11 11 GLU HA H 11 4.174 4.448 -0.274 1
1 101 . 1 1 1 A 11 11 GLU CA C 11 55.442 56.324 -0.882 1
1 102 . 1 1 1 A 11 11 GLU CB C 11 30.114 29.680 0.434 1
1 104 . 1 1 1 A 11 11 GLU N N 11 129.115 125.200 3.915 1
1 105 . 1 1 1 A 12 12 ILE H H 12 8.942 8.757 0.185 1
1 106 . 1 1 1 A 12 12 ILE HA H 12 4.034 4.474 -0.440 1
1 116 . 1 1 1 A 12 12 ILE CA C 12 58.894 61.093 -2.199 1
1 117 . 1 1 1 A 12 12 ILE CB C 12 33.240 36.803 -3.563 1
1 121 . 1 1 1 A 12 12 ILE N N 12 128.622 126.519 2.103 1
1 122 . 1 1 1 A 13 13 THR H H 13 6.818 7.892 -1.074 1
1 123 . 1 1 1 A 13 13 THR HA H 13 4.429 4.932 -0.503 1
1 128 . 1 1 1 A 13 13 THR CA C 13 60.052 59.977 0.075 1
1 129 . 1 1 1 A 13 13 THR CB C 13 70.842 70.869 -0.027 1
1 131 . 1 1 1 A 13 13 THR N N 13 119.687 120.094 -0.407 1
1 132 . 1 1 1 A 14 14 GLU H H 14 8.969 9.006 -0.037 1
1 133 . 1 1 1 A 14 14 GLU HA H 14 4.024 3.997 0.027 1
1 138 . 1 1 1 A 14 14 GLU CA C 14 59.794 59.929 -0.135 1
1 139 . 1 1 1 A 14 14 GLU CB C 14 28.845 29.570 -0.725 1
1 141 . 1 1 1 A 14 14 GLU N N 14 123.290 122.761 0.529 1
1 142 . 1 1 1 A 15 15 ALA H H 15 8.334 7.886 0.448 1
1 143 . 1 1 1 A 15 15 ALA HA H 15 4.151 4.094 0.057 1
1 147 . 1 1 1 A 15 15 ALA CA C 15 55.076 55.158 -0.082 1
1 148 . 1 1 1 A 15 15 ALA CB C 15 18.008 18.512 -0.504 1
1 149 . 1 1 1 A 15 15 ALA N N 15 121.958 121.953 0.005 1
1 150 . 1 1 1 A 16 16 LEU H H 16 7.765 8.063 -0.298 1
1 151 . 1 1 1 A 16 16 LEU HA H 16 4.240 4.151 0.089 1
1 161 . 1 1 1 A 16 16 LEU CA C 16 57.674 58.739 -1.065 1
1 162 . 1 1 1 A 16 16 LEU CB C 16 42.122 41.972 0.150 1
1 166 . 1 1 1 A 16 16 LEU N N 16 123.064 119.929 3.135 1
1 167 . 1 1 1 A 17 17 ARG H H 17 8.627 8.039 0.588 1
1 168 . 1 1 1 A 17 17 ARG HA H 17 3.595 4.155 -0.560 1
1 175 . 1 1 1 A 17 17 ARG CA C 17 60.573 59.000 1.573 1
1 176 . 1 1 1 A 17 17 ARG CB C 17 29.679 30.103 -0.424 1
1 179 . 1 1 1 A 17 17 ARG N N 17 121.878 117.969 3.909 1
1 180 . 1 1 1 A 18 18 GLU H H 18 8.665 8.055 0.610 1
1 181 . 1 1 1 A 18 18 GLU HA H 18 3.952 4.084 -0.132 1
1 186 . 1 1 1 A 18 18 GLU CA C 18 59.654 59.599 0.055 1
1 187 . 1 1 1 A 18 18 GLU CB C 18 29.301 29.547 -0.246 1
1 189 . 1 1 1 A 18 18 GLU N N 18 123.257 119.733 3.524 1
1 190 . 1 1 1 A 19 19 PHE H H 19 8.026 8.248 -0.222 1
1 191 . 1 1 1 A 19 19 PHE HA H 19 4.258 4.142 0.116 1
1 195 . 1 1 1 A 19 19 PHE CA C 19 61.640 61.309 0.331 1
1 196 . 1 1 1 A 19 19 PHE CB C 19 39.547 39.452 0.095 1
1 198 . 1 1 1 A 19 19 PHE N N 19 123.888 120.834 3.054 1
1 199 . 1 1 1 A 20 20 VAL H H 20 8.734 8.103 0.631 1
1 200 . 1 1 1 A 20 20 VAL HA H 20 3.336 3.592 -0.256 1
1 208 . 1 1 1 A 20 20 VAL CA C 20 67.245 66.509 0.736 1
1 209 . 1 1 1 A 20 20 VAL CB C 20 31.965 31.913 0.052 1
1 212 . 1 1 1 A 20 20 VAL N N 20 119.762 118.818 0.944 1
1 213 . 1 1 1 A 21 21 THR H H 21 8.213 8.217 -0.004 1
1 214 . 1 1 1 A 21 21 THR HA H 21 3.615 4.003 -0.388 1
1 218 . 1 1 1 A 21 21 THR CA C 21 67.657 66.299 1.358 1
1 219 . 1 1 1 A 21 21 THR CB C 21 68.697 68.321 0.376 1
1 221 . 1 1 1 A 21 21 THR N N 21 117.446 115.459 1.987 1
1 222 . 1 1 1 A 22 22 ALA H H 22 8.050 8.694 -0.644 1
1 223 . 1 1 1 A 22 22 ALA HA H 22 4.084 3.993 0.091 1
1 227 . 1 1 1 A 22 22 ALA CA C 22 54.998 55.561 -0.563 1
1 228 . 1 1 1 A 22 22 ALA CB C 22 17.880 18.757 -0.877 1
1 229 . 1 1 1 A 22 22 ALA N N 22 125.291 123.286 2.005 1
1 230 . 1 1 1 A 23 23 LYS H H 23 7.868 7.646 0.222 1
1 231 . 1 1 1 A 23 23 LYS HA H 23 3.886 3.902 -0.016 1
1 240 . 1 1 1 A 23 23 LYS CA C 23 57.286 58.967 -1.681 1
1 241 . 1 1 1 A 23 23 LYS CB C 23 30.651 32.157 -1.506 1
1 245 . 1 1 1 A 23 23 LYS N N 23 119.332 117.428 1.904 1
1 246 . 1 1 1 A 24 24 PHE H H 24 8.369 8.057 0.312 1
1 247 . 1 1 1 A 24 24 PHE HA H 24 3.805 4.431 -0.626 1
1 252 . 1 1 1 A 24 24 PHE CA C 24 62.055 60.102 1.953 1
1 253 . 1 1 1 A 24 24 PHE CB C 24 38.744 38.481 0.263 1
1 256 . 1 1 1 A 24 24 PHE N N 24 119.142 118.452 0.690 1
1 257 . 1 1 1 A 25 25 ALA H H 25 7.879 8.487 -0.608 1
1 258 . 1 1 1 A 25 25 ALA HA H 25 4.140 4.138 0.002 1
1 262 . 1 1 1 A 25 25 ALA CA C 25 55.014 55.266 -0.252 1
1 263 . 1 1 1 A 25 25 ALA CB C 25 17.773 18.284 -0.511 1
1 264 . 1 1 1 A 25 25 ALA N N 25 123.500 121.780 1.720 1
1 265 . 1 1 1 A 26 26 LYS H H 26 7.217 7.718 -0.501 1
1 266 . 1 1 1 A 26 26 LYS HA H 26 4.024 3.828 0.196 1
1 275 . 1 1 1 A 26 26 LYS CA C 26 58.189 59.097 -0.908 1
1 276 . 1 1 1 A 26 26 LYS CB C 26 32.033 32.216 -0.183 1
1 280 . 1 1 1 A 26 26 LYS N N 26 118.541 118.559 -0.018 1
1 281 . 1 1 1 A 27 27 LEU H H 27 7.773 7.777 -0.004 1
1 282 . 1 1 1 A 27 27 LEU HA H 27 4.257 3.301 0.956 1
1 292 . 1 1 1 A 27 27 LEU CA C 27 55.889 56.294 -0.405 1
1 293 . 1 1 1 A 27 27 LEU CB C 27 41.083 41.773 -0.690 1
1 297 . 1 1 1 A 27 27 LEU N N 27 118.340 119.584 -1.244 1
1 298 . 1 1 1 A 28 28 GLU H H 28 7.296 8.341 -1.045 1
1 299 . 1 1 1 A 28 28 GLU HA H 28 3.489 4.371 -0.882 1
1 304 . 1 1 1 A 28 28 GLU CA C 28 58.336 58.799 -0.463 1
1 305 . 1 1 1 A 28 28 GLU CB C 28 29.265 29.528 -0.263 1
1 307 . 1 1 1 A 28 28 GLU N N 28 119.557 119.358 0.199 1
1 308 . 1 1 1 A 29 29 GLN H H 29 7.783 7.581 0.202 1
1 309 . 1 1 1 A 29 29 GLN HA H 29 3.923 3.979 -0.056 1
1 314 . 1 1 1 A 29 29 GLN CA C 29 57.387 58.348 -0.961 1
1 315 . 1 1 1 A 29 29 GLN CB C 29 28.082 28.598 -0.516 1
1 317 . 1 1 1 A 29 29 GLN N N 29 117.927 119.619 -1.692 1
1 318 . 1 1 1 A 30 30 TYR H H 30 7.731 6.861 0.870 1
1 319 . 1 1 1 A 30 30 TYR HA H 30 4.433 4.495 -0.062 1
1 324 . 1 1 1 A 30 30 TYR CA C 30 58.371 58.118 0.253 1
1 325 . 1 1 1 A 30 30 TYR CB C 30 39.297 39.032 0.265 1
1 328 . 1 1 1 A 30 30 TYR N N 30 118.639 118.362 0.277 1
1 329 . 1 1 1 A 31 31 PHE H H 31 7.652 7.860 -0.208 1
1 330 . 1 1 1 A 31 31 PHE HA H 31 4.605 4.825 -0.220 1
1 334 . 1 1 1 A 31 31 PHE CA C 31 58.507 57.912 0.595 1
1 335 . 1 1 1 A 31 31 PHE CB C 31 40.438 39.846 0.592 1
1 337 . 1 1 1 A 31 31 PHE N N 31 119.753 119.630 0.123 1
1 338 . 1 1 1 A 32 32 ASP H H 32 8.087 8.897 -0.810 1
1 339 . 1 1 1 A 32 32 ASP HA H 32 4.465 5.062 -0.597 1
1 342 . 1 1 1 A 32 32 ASP CA C 32 55.094 53.909 1.185 1
1 343 . 1 1 1 A 32 32 ASP CB C 32 40.511 41.524 -1.013 1
1 344 . 1 1 1 A 32 32 ASP N N 32 121.865 123.879 -2.014 1
1 345 . 1 1 1 A 33 33 ARG H H 33 7.083 7.848 -0.765 1
1 346 . 1 1 1 A 33 33 ARG HA H 33 4.412 4.521 -0.109 1
1 353 . 1 1 1 A 33 33 ARG CA C 33 55.082 55.441 -0.359 1
1 354 . 1 1 1 A 33 33 ARG CB C 33 30.409 28.859 1.550 1
1 357 . 1 1 1 A 33 33 ARG N N 33 119.603 118.018 1.585 1
1 358 . 1 1 1 A 34 34 ILE H H 34 8.139 7.641 0.498 1
1 359 . 1 1 1 A 34 34 ILE HA H 34 4.051 4.725 -0.674 1
1 369 . 1 1 1 A 34 34 ILE CA C 34 61.543 60.927 0.616 1
1 370 . 1 1 1 A 34 34 ILE CB C 34 39.510 40.160 -0.650 1
1 374 . 1 1 1 A 34 34 ILE N N 34 123.576 122.874 0.702 1
1 375 . 1 1 1 A 35 35 ASN H H 35 8.560 8.864 -0.304 1
1 376 . 1 1 1 A 35 35 ASN HA H 35 4.870 4.929 -0.059 1
1 379 . 1 1 1 A 35 35 ASN CA C 35 53.877 54.067 -0.190 1
1 380 . 1 1 1 A 35 35 ASN CB C 35 38.806 39.520 -0.714 1
1 381 . 1 1 1 A 35 35 ASN N N 35 126.934 122.784 4.150 1
1 382 . 1 1 1 A 36 36 GLN H H 36 7.843 7.868 -0.025 1
1 383 . 1 1 1 A 36 36 GLN HA H 36 4.519 5.302 -0.783 1
1 388 . 1 1 1 A 36 36 GLN CA C 36 56.345 54.311 2.034 1
1 389 . 1 1 1 A 36 36 GLN CB C 36 31.240 30.932 0.308 1
1 391 . 1 1 1 A 36 36 GLN N N 36 120.673 118.211 2.462 1
1 392 . 1 1 1 A 37 37 VAL H H 37 8.330 8.439 -0.109 1
1 393 . 1 1 1 A 37 37 VAL HA H 37 4.693 4.975 -0.282 1
1 401 . 1 1 1 A 37 37 VAL CA C 37 60.789 61.110 -0.321 1
1 402 . 1 1 1 A 37 37 VAL CB C 37 34.740 34.653 0.087 1
1 405 . 1 1 1 A 37 37 VAL N N 37 123.403 126.187 -2.784 1
1 406 . 1 1 1 A 38 38 TYR H H 38 8.943 8.065 0.878 1
1 407 . 1 1 1 A 38 38 TYR HA H 38 5.039 6.102 -1.063 1
1 412 . 1 1 1 A 38 38 TYR CA C 38 57.028 55.385 1.643 1
1 413 . 1 1 1 A 38 38 TYR CB C 38 39.705 41.535 -1.830 1
1 416 . 1 1 1 A 38 38 TYR N N 38 129.202 123.653 5.549 1
1 417 . 1 1 1 A 39 39 VAL H H 39 9.053 8.668 0.385 1
1 418 . 1 1 1 A 39 39 VAL HA H 39 5.048 5.241 -0.193 1
1 426 . 1 1 1 A 39 39 VAL CA C 39 60.685 60.638 0.047 1
1 427 . 1 1 1 A 39 39 VAL CB C 39 34.107 35.310 -1.203 1
1 430 . 1 1 1 A 39 39 VAL N N 39 127.771 124.403 3.368 1
1 431 . 1 1 1 A 40 40 VAL H H 40 9.276 9.007 0.269 1
1 432 . 1 1 1 A 40 40 VAL HA H 40 4.862 5.134 -0.272 1
1 440 . 1 1 1 A 40 40 VAL CA C 40 60.896 60.883 0.013 1
1 441 . 1 1 1 A 40 40 VAL CB C 40 34.411 35.641 -1.230 1
1 444 . 1 1 1 A 40 40 VAL N N 40 130.939 126.269 4.670 1
1 445 . 1 1 1 A 41 41 LEU H H 41 8.714 8.842 -0.128 1
1 446 . 1 1 1 A 41 41 LEU HA H 41 5.111 5.627 -0.516 1
1 456 . 1 1 1 A 41 41 LEU CA C 41 53.150 52.988 0.162 1
1 457 . 1 1 1 A 41 41 LEU CB C 41 42.538 44.908 -2.370 1
1 461 . 1 1 1 A 41 41 LEU N N 41 130.200 125.456 4.744 1
1 462 . 1 1 1 A 42 42 LYS H H 42 8.955 9.767 -0.812 1
1 463 . 1 1 1 A 42 42 LYS HA H 42 5.180 5.493 -0.313 1
1 472 . 1 1 1 A 42 42 LYS CA C 42 55.017 54.798 0.219 1
1 473 . 1 1 1 A 42 42 LYS CB C 42 36.649 34.225 2.424 1
1 477 . 1 1 1 A 42 42 LYS N N 42 124.155 123.845 0.310 1
1 478 . 1 1 1 A 43 43 VAL H H 43 7.515 8.097 -0.582 1
1 479 . 1 1 1 A 43 43 VAL HA H 43 4.360 4.374 -0.014 1
1 487 . 1 1 1 A 43 43 VAL CA C 43 61.230 61.073 0.157 1
1 488 . 1 1 1 A 43 43 VAL CB C 43 33.656 33.240 0.416 1
1 491 . 1 1 1 A 43 43 VAL N N 43 124.332 125.358 -1.026 1
1 492 . 1 1 1 A 44 44 GLU H H 44 8.092 8.167 -0.075 1
1 493 . 1 1 1 A 44 44 GLU HA H 44 4.368 4.712 -0.344 1
1 498 . 1 1 1 A 44 44 GLU CA C 44 55.445 54.293 1.152 1
1 499 . 1 1 1 A 44 44 GLU CB C 44 31.404 33.035 -1.631 1
1 501 . 1 1 1 A 44 44 GLU N N 44 130.594 126.684 3.910 1
1 502 . 1 1 1 A 45 45 LYS H H 45 8.982 8.670 0.312 1
1 503 . 1 1 1 A 45 45 LYS HA H 45 3.695 3.934 -0.239 1
1 512 . 1 1 1 A 45 45 LYS CA C 45 59.588 58.944 0.644 1
1 513 . 1 1 1 A 45 45 LYS CB C 45 30.077 32.064 -1.987 1
1 517 . 1 1 1 A 45 45 LYS N N 45 125.587 121.081 4.506 1
1 518 . 1 1 1 A 46 46 VAL H H 46 7.710 7.420 0.290 1
1 519 . 1 1 1 A 46 46 VAL HA H 46 4.346 3.994 0.352 1
1 527 . 1 1 1 A 46 46 VAL CA C 46 61.342 64.657 -3.315 1
1 528 . 1 1 1 A 46 46 VAL CB C 46 31.917 31.927 -0.010 1
1 531 . 1 1 1 A 46 46 VAL N N 46 115.763 118.249 -2.486 1
1 532 . 1 1 1 A 47 47 THR H H 47 8.151 7.741 0.410 1
1 533 . 1 1 1 A 47 47 THR HA H 47 4.397 5.301 -0.904 1
1 538 . 1 1 1 A 47 47 THR CA C 47 63.072 61.160 1.912 1
1 539 . 1 1 1 A 47 47 THR CB C 47 69.615 72.186 -2.571 1
1 541 . 1 1 1 A 47 47 THR N N 47 120.888 111.848 9.040 1
1 542 . 1 1 1 A 48 48 HIS H H 48 8.753 9.186 -0.433 1
1 543 . 1 1 1 A 48 48 HIS HA H 48 4.826 5.316 -0.490 1
1 547 . 1 1 1 A 48 48 HIS CA C 48 55.978 55.024 0.954 1
1 548 . 1 1 1 A 48 48 HIS CB C 48 30.476 30.846 -0.370 1
1 550 . 1 1 1 A 48 48 HIS N N 48 130.755 123.199 7.556 1
1 551 . 1 1 1 A 49 49 THR H H 49 9.136 8.589 0.547 1
1 552 . 1 1 1 A 49 49 THR HA H 49 5.245 5.069 0.176 1
1 557 . 1 1 1 A 49 49 THR CA C 49 60.941 61.191 -0.250 1
1 558 . 1 1 1 A 49 49 THR CB C 49 71.411 71.519 -0.108 1
1 560 . 1 1 1 A 49 49 THR N N 49 118.522 118.262 0.260 1
1 561 . 1 1 1 A 50 50 SER H H 50 9.050 8.955 0.095 1
1 562 . 1 1 1 A 50 50 SER HA H 50 5.348 5.617 -0.269 1
1 565 . 1 1 1 A 50 50 SER CA C 50 55.645 56.815 -1.170 1
1 566 . 1 1 1 A 50 50 SER CB C 50 66.579 66.311 0.268 1
1 567 . 1 1 1 A 50 50 SER N N 50 119.749 119.523 0.226 1
1 568 . 1 1 1 A 51 51 ASP H H 51 8.843 9.412 -0.569 1
1 569 . 1 1 1 A 51 51 ASP HA H 51 5.363 5.660 -0.297 1
1 572 . 1 1 1 A 51 51 ASP CA C 51 52.879 52.264 0.615 1
1 573 . 1 1 1 A 51 51 ASP CB C 51 45.173 44.787 0.386 1
1 574 . 1 1 1 A 51 51 ASP N N 51 126.330 121.422 4.908 1
1 575 . 1 1 1 A 52 52 ALA H H 52 8.938 9.530 -0.592 1
1 576 . 1 1 1 A 52 52 ALA HA H 52 5.777 5.327 0.450 1
1 580 . 1 1 1 A 52 52 ALA CA C 52 50.806 50.816 -0.010 1
1 581 . 1 1 1 A 52 52 ALA CB C 52 24.676 22.767 1.909 1
1 582 . 1 1 1 A 52 52 ALA N N 52 122.789 122.142 0.647 1
1 583 . 1 1 1 A 53 53 THR H H 53 8.666 8.688 -0.022 1
1 584 . 1 1 1 A 53 53 THR HA H 53 4.979 5.004 -0.025 1
1 589 . 1 1 1 A 53 53 THR CA C 53 62.026 61.484 0.542 1
1 590 . 1 1 1 A 53 53 THR CB C 53 70.850 70.610 0.240 1
1 592 . 1 1 1 A 53 53 THR N N 53 118.344 116.026 2.318 1
1 593 . 1 1 1 A 54 54 LEU H H 54 9.662 8.928 0.734 1
1 594 . 1 1 1 A 54 54 LEU HA H 54 4.921 5.104 -0.183 1
1 604 . 1 1 1 A 54 54 LEU CA C 54 53.923 53.912 0.011 1
1 605 . 1 1 1 A 54 54 LEU CB C 54 43.782 44.441 -0.659 1
1 609 . 1 1 1 A 54 54 LEU N N 54 129.166 127.645 1.521 1
1 610 . 1 1 1 A 55 55 HIS H H 55 8.956 9.165 -0.209 1
1 611 . 1 1 1 A 55 55 HIS HA H 55 4.882 5.277 -0.395 1
1 615 . 1 1 1 A 55 55 HIS CA C 55 56.326 54.762 1.564 1
1 616 . 1 1 1 A 55 55 HIS CB C 55 30.431 32.367 -1.936 1
1 618 . 1 1 1 A 55 55 HIS N N 55 126.094 121.766 4.328 1
1 619 . 1 1 1 A 56 56 VAL H H 56 8.151 8.880 -0.729 1
1 620 . 1 1 1 A 56 56 VAL HA H 56 4.856 4.572 0.284 1
1 628 . 1 1 1 A 56 56 VAL CA C 56 58.734 59.889 -1.155 1
1 629 . 1 1 1 A 56 56 VAL CB C 56 34.523 35.548 -1.025 1
1 632 . 1 1 1 A 56 56 VAL N N 56 120.242 121.014 -0.772 1
1 633 . 1 1 1 A 57 57 ASN H H 57 8.970 8.839 0.131 1
1 634 . 1 1 1 A 57 57 ASN HA H 57 4.463 4.324 0.139 1
1 637 . 1 1 1 A 57 57 ASN CA C 57 54.963 55.056 -0.093 1
1 638 . 1 1 1 A 57 57 ASN CB C 57 37.481 37.751 -0.270 1
1 639 . 1 1 1 A 57 57 ASN N N 57 124.652 124.552 0.100 1
1 640 . 1 1 1 A 58 58 GLY H H 58 8.868 8.684 0.184 1
1 641 . 1 1 1 A 58 58 GLY HA2 H 58 3.814 4.038 -0.224 1
1 642 . 1 1 1 A 58 58 GLY HA3 H 58 4.152 4.043 0.109 1
1 643 . 1 1 1 A 58 58 GLY CA C 58 45.606 45.042 0.564 1
1 644 . 1 1 1 A 58 58 GLY N N 58 112.816 111.985 0.831 1
1 645 . 1 1 1 A 59 59 GLY H H 59 7.848 7.712 0.136 1
1 646 . 1 1 1 A 59 59 GLY HA2 H 59 3.978 4.014 -0.036 1
1 647 . 1 1 1 A 59 59 GLY HA3 H 59 4.153 4.045 0.108 1
1 648 . 1 1 1 A 59 59 GLY CA C 59 45.321 44.767 0.554 1
1 649 . 1 1 1 A 59 59 GLY N N 59 109.857 107.389 2.468 1
1 650 . 1 1 1 A 60 60 GLU H H 60 8.262 8.572 -0.310 1
1 651 . 1 1 1 A 60 60 GLU HA H 60 5.110 4.892 0.218 1
1 656 . 1 1 1 A 60 60 GLU CA C 60 54.756 54.654 0.102 1
1 657 . 1 1 1 A 60 60 GLU CB C 60 32.933 33.177 -0.244 1
1 659 . 1 1 1 A 60 60 GLU N N 60 121.732 120.972 0.760 1
1 660 . 1 1 1 A 61 61 ILE H H 61 8.764 8.640 0.124 1
1 661 . 1 1 1 A 61 61 ILE HA H 61 4.286 4.833 -0.547 1
1 671 . 1 1 1 A 61 61 ILE CA C 61 59.713 60.184 -0.471 1
1 672 . 1 1 1 A 61 61 ILE CB C 61 41.194 39.657 1.537 1
1 676 . 1 1 1 A 61 61 ILE N N 61 124.817 124.269 0.548 1
1 677 . 1 1 1 A 62 62 HIS H H 62 8.907 8.844 0.063 1
1 678 . 1 1 1 A 62 62 HIS HA H 62 5.743 5.213 0.530 1
1 682 . 1 1 1 A 62 62 HIS CA C 62 54.009 53.751 0.258 1
1 683 . 1 1 1 A 62 62 HIS CB C 62 32.365 33.123 -0.758 1
1 685 . 1 1 1 A 62 62 HIS N N 62 127.338 126.876 0.462 1
1 686 . 1 1 1 A 63 63 ALA H H 63 8.298 9.117 -0.819 1
1 687 . 1 1 1 A 63 63 ALA HA H 63 4.480 5.022 -0.542 1
1 691 . 1 1 1 A 63 63 ALA CA C 63 51.764 50.558 1.206 1
1 692 . 1 1 1 A 63 63 ALA CB C 63 23.678 24.113 -0.435 1
1 693 . 1 1 1 A 63 63 ALA N N 63 125.511 129.467 -3.956 1
1 694 . 1 1 1 A 64 64 SER H H 64 8.070 8.631 -0.561 1
1 695 . 1 1 1 A 64 64 SER HA H 64 5.286 5.328 -0.042 1
1 698 . 1 1 1 A 64 64 SER CA C 64 56.782 57.163 -0.381 1
1 699 . 1 1 1 A 64 64 SER CB C 64 65.895 66.845 -0.950 1
1 700 . 1 1 1 A 64 64 SER N N 64 114.469 112.507 1.962 1
1 701 . 1 1 1 A 65 65 ALA H H 65 8.904 8.957 -0.053 1
1 702 . 1 1 1 A 65 65 ALA HA H 65 4.669 5.265 -0.596 1
1 706 . 1 1 1 A 65 65 ALA CA C 65 51.753 50.863 0.890 1
1 707 . 1 1 1 A 65 65 ALA CB C 65 22.599 23.488 -0.889 1
1 708 . 1 1 1 A 65 65 ALA N N 65 126.977 122.969 4.008 1
1 709 . 1 1 1 A 66 66 GLU H H 66 8.200 8.911 -0.711 1
1 710 . 1 1 1 A 66 66 GLU HA H 66 5.680 5.231 0.449 1
1 715 . 1 1 1 A 66 66 GLU CA C 66 53.650 54.722 -1.072 1
1 716 . 1 1 1 A 66 66 GLU CB C 66 33.741 33.660 0.081 1
1 718 . 1 1 1 A 66 66 GLU N N 66 119.267 118.897 0.370 1
1 719 . 1 1 1 A 67 67 GLY H H 67 8.836 8.258 0.578 1
1 720 . 1 1 1 A 67 67 GLY HA2 H 67 4.490 4.385 0.105 1
1 721 . 1 1 1 A 67 67 GLY HA3 H 67 3.728 4.387 -0.659 1
1 722 . 1 1 1 A 67 67 GLY CA C 67 45.157 44.987 0.170 1
1 723 . 1 1 1 A 67 67 GLY N N 67 108.048 107.522 0.526 1
1 724 . 1 1 1 A 68 68 GLN H H 68 8.997 8.712 0.285 1
1 725 . 1 1 1 A 68 68 GLN HA H 68 4.440 3.993 0.447 1
1 730 . 1 1 1 A 68 68 GLN CA C 68 56.996 57.874 -0.878 1
1 731 . 1 1 1 A 68 68 GLN CB C 68 28.694 28.881 -0.187 1
1 733 . 1 1 1 A 68 68 GLN N N 68 119.961 119.806 0.155 1
1 734 . 1 1 1 A 69 69 ASP H H 69 7.542 7.433 0.109 1
1 735 . 1 1 1 A 69 69 ASP HA H 69 3.242 3.817 -0.575 1
1 738 . 1 1 1 A 69 69 ASP CA C 69 51.838 52.543 -0.705 1
1 739 . 1 1 1 A 69 69 ASP CB C 69 42.829 42.697 0.132 1
1 740 . 1 1 1 A 69 69 ASP N N 69 115.279 114.029 1.250 1
1 741 . 1 1 1 A 70 70 MET H H 70 8.409 8.721 -0.312 1
1 742 . 1 1 1 A 70 70 MET HA H 70 4.200 4.228 -0.028 1
1 747 . 1 1 1 A 70 70 MET CA C 70 56.505 58.628 -2.123 1
1 748 . 1 1 1 A 70 70 MET CB C 70 31.533 32.266 -0.733 1
1 750 . 1 1 1 A 70 70 MET N N 70 120.495 119.121 1.374 1
1 751 . 1 1 1 A 71 71 TYR H H 71 7.304 7.560 -0.256 1
1 752 . 1 1 1 A 71 71 TYR HA H 71 3.832 4.441 -0.609 1
1 757 . 1 1 1 A 71 71 TYR CA C 71 60.141 60.780 -0.639 1
1 758 . 1 1 1 A 71 71 TYR CB C 71 35.788 38.774 -2.986 1
1 761 . 1 1 1 A 71 71 TYR N N 71 120.024 118.102 1.922 1
1 762 . 1 1 1 A 72 72 ALA H H 72 8.474 8.425 0.049 1
1 763 . 1 1 1 A 72 72 ALA HA H 72 4.213 4.018 0.195 1
1 767 . 1 1 1 A 72 72 ALA CA C 72 54.526 55.202 -0.676 1
1 768 . 1 1 1 A 72 72 ALA CB C 72 18.884 18.067 0.817 1
1 769 . 1 1 1 A 72 72 ALA N N 72 123.384 122.976 0.408 1
1 770 . 1 1 1 A 73 73 ALA H H 73 7.595 8.001 -0.406 1
1 771 . 1 1 1 A 73 73 ALA HA H 73 3.731 4.135 -0.404 1
1 775 . 1 1 1 A 73 73 ALA CA C 73 55.647 55.127 0.520 1
1 776 . 1 1 1 A 73 73 ALA CB C 73 17.460 18.362 -0.902 1
1 777 . 1 1 1 A 73 73 ALA N N 73 123.415 120.075 3.340 1
1 778 . 1 1 1 A 74 74 ILE H H 74 7.958 8.012 -0.054 1
1 779 . 1 1 1 A 74 74 ILE HA H 74 3.692 3.763 -0.071 1
1 789 . 1 1 1 A 74 74 ILE CA C 74 63.902 65.018 -1.116 1
1 790 . 1 1 1 A 74 74 ILE CB C 74 37.010 36.780 0.230 1
1 794 . 1 1 1 A 74 74 ILE N N 74 119.834 118.896 0.938 1
1 795 . 1 1 1 A 75 75 ASP H H 75 8.468 8.341 0.127 1
1 796 . 1 1 1 A 75 75 ASP HA H 75 4.282 4.398 -0.116 1
1 799 . 1 1 1 A 75 75 ASP CA C 75 58.107 57.252 0.855 1
1 800 . 1 1 1 A 75 75 ASP CB C 75 40.628 40.490 0.138 1
1 801 . 1 1 1 A 75 75 ASP N N 75 122.091 121.349 0.742 1
1 802 . 1 1 1 A 76 76 GLY H H 76 8.041 8.283 -0.242 1
1 803 . 1 1 1 A 76 76 GLY HA2 H 76 3.845 3.704 0.141 1
1 804 . 1 1 1 A 76 76 GLY HA3 H 76 3.863 3.708 0.155 1
1 805 . 1 1 1 A 76 76 GLY CA C 76 46.668 47.010 -0.342 1
1 806 . 1 1 1 A 76 76 GLY N N 76 108.081 108.405 -0.324 1
1 807 . 1 1 1 A 77 77 LEU H H 77 8.088 8.023 0.065 1
1 808 . 1 1 1 A 77 77 LEU HA H 77 3.709 4.210 -0.501 1
1 818 . 1 1 1 A 77 77 LEU CA C 77 57.865 57.296 0.569 1
1 819 . 1 1 1 A 77 77 LEU CB C 77 41.828 41.699 0.129 1
1 823 . 1 1 1 A 77 77 LEU N N 77 126.711 123.263 3.448 1
1 824 . 1 1 1 A 78 78 ILE H H 78 8.155 8.233 -0.078 1
1 825 . 1 1 1 A 78 78 ILE HA H 78 3.316 3.813 -0.497 1
1 835 . 1 1 1 A 78 78 ILE CA C 78 62.813 62.790 0.023 1
1 836 . 1 1 1 A 78 78 ILE CB C 78 34.810 37.678 -2.868 1
1 840 . 1 1 1 A 78 78 ILE N N 78 120.409 119.077 1.332 1
1 841 . 1 1 1 A 79 79 ASP H H 79 7.408 7.880 -0.472 1
1 842 . 1 1 1 A 79 79 ASP HA H 79 4.274 4.335 -0.061 1
1 845 . 1 1 1 A 79 79 ASP CA C 79 57.605 57.226 0.379 1
1 846 . 1 1 1 A 79 79 ASP CB C 79 41.017 41.242 -0.225 1
1 847 . 1 1 1 A 79 79 ASP N N 79 120.497 122.445 -1.948 1
1 848 . 1 1 1 A 80 80 LYS H H 80 7.536 7.922 -0.386 1
1 849 . 1 1 1 A 80 80 LYS HA H 80 3.931 4.060 -0.129 1
1 858 . 1 1 1 A 80 80 LYS CA C 80 59.952 59.006 0.946 1
1 859 . 1 1 1 A 80 80 LYS CB C 80 33.221 31.699 1.522 1
1 863 . 1 1 1 A 80 80 LYS N N 80 119.684 118.144 1.540 1
1 864 . 1 1 1 A 81 81 LEU H H 81 8.473 7.801 0.672 1
1 865 . 1 1 1 A 81 81 LEU HA H 81 3.765 3.938 -0.173 1
1 875 . 1 1 1 A 81 81 LEU CA C 81 57.564 57.745 -0.181 1
1 876 . 1 1 1 A 81 81 LEU CB C 81 42.473 41.688 0.785 1
1 880 . 1 1 1 A 81 81 LEU N N 81 121.519 120.880 0.639 1
1 881 . 1 1 1 A 82 82 ALA H H 82 8.682 8.187 0.495 1
1 882 . 1 1 1 A 82 82 ALA HA H 82 3.479 4.293 -0.814 1
1 886 . 1 1 1 A 82 82 ALA CA C 82 55.731 55.848 -0.117 1
1 887 . 1 1 1 A 82 82 ALA CB C 82 17.388 18.502 -1.114 1
1 888 . 1 1 1 A 82 82 ALA N N 82 123.814 121.420 2.394 1
1 889 . 1 1 1 A 83 83 ARG H H 83 7.329 7.853 -0.524 1
1 890 . 1 1 1 A 83 83 ARG HA H 83 3.981 4.262 -0.281 1
1 897 . 1 1 1 A 83 83 ARG CA C 83 59.137 59.758 -0.621 1
1 898 . 1 1 1 A 83 83 ARG CB C 83 29.971 30.122 -0.151 1
1 901 . 1 1 1 A 83 83 ARG N N 83 118.219 117.822 0.397 1
1 902 . 1 1 1 A 84 84 GLN H H 84 7.750 7.548 0.202 1
1 903 . 1 1 1 A 84 84 GLN HA H 84 4.047 4.061 -0.014 1
1 906 . 1 1 1 A 84 84 GLN CA C 84 58.685 58.372 0.313 1
1 907 . 1 1 1 A 84 84 GLN CB C 84 29.903 28.292 1.611 1
1 909 . 1 1 1 A 84 84 GLN N N 84 119.887 118.910 0.977 1
1 910 . 1 1 1 A 85 85 LEU H H 85 8.610 8.094 0.516 1
1 911 . 1 1 1 A 85 85 LEU HA H 85 3.788 3.777 0.011 1
1 920 . 1 1 1 A 85 85 LEU CA C 85 57.600 57.416 0.184 1
1 921 . 1 1 1 A 85 85 LEU CB C 85 41.178 40.738 0.440 1
1 925 . 1 1 1 A 85 85 LEU N N 85 122.951 119.847 3.104 1
1 926 . 1 1 1 A 86 86 THR H H 86 7.709 8.065 -0.356 1
1 927 . 1 1 1 A 86 86 THR HA H 86 4.056 4.065 -0.009 1
1 932 . 1 1 1 A 86 86 THR CA C 86 65.924 66.210 -0.286 1
1 933 . 1 1 1 A 86 86 THR CB C 86 68.870 68.437 0.433 1
1 935 . 1 1 1 A 86 86 THR N N 86 116.282 110.851 5.431 1
1 936 . 1 1 1 A 87 87 LYS H H 87 7.457 7.676 -0.219 1
1 937 . 1 1 1 A 87 87 LYS HA H 87 4.102 3.907 0.195 1
1 946 . 1 1 1 A 87 87 LYS CA C 87 58.289 59.575 -1.286 1
1 947 . 1 1 1 A 87 87 LYS CB C 87 32.293 32.183 0.110 1
1 951 . 1 1 1 A 87 87 LYS N N 87 122.670 122.471 0.199 1
1 952 . 1 1 1 A 88 88 HIS H H 88 7.928 7.965 -0.037 1
1 953 . 1 1 1 A 88 88 HIS HA H 88 4.301 4.358 -0.057 1
1 957 . 1 1 1 A 88 88 HIS CA C 88 58.361 58.667 -0.306 1
1 958 . 1 1 1 A 88 88 HIS CB C 88 30.766 28.434 2.332 1
1 960 . 1 1 1 A 88 88 HIS N N 88 121.382 116.792 4.590 1
1 961 . 1 1 1 A 89 89 LYS H H 89 7.928 7.688 0.240 1
1 962 . 1 1 1 A 89 89 LYS HA H 89 3.934 4.119 -0.185 1
1 971 . 1 1 1 A 89 89 LYS CA C 89 58.568 58.882 -0.314 1
1 972 . 1 1 1 A 89 89 LYS CB C 89 32.489 32.253 0.236 1
1 976 . 1 1 1 A 89 89 LYS N N 89 121.821 121.355 0.466 1
1 977 . 1 1 1 A 90 90 ASP H H 90 8.143 7.714 0.429 1
1 978 . 1 1 1 A 90 90 ASP HA H 90 4.445 4.396 0.049 1
1 981 . 1 1 1 A 90 90 ASP CA C 90 55.869 56.839 -0.970 1
1 982 . 1 1 1 A 90 90 ASP CB C 90 40.715 40.108 0.607 1
1 983 . 1 1 1 A 90 90 ASP N N 90 121.199 117.999 3.200 1
1 984 . 1 1 1 A 91 91 LYS H H 91 7.867 7.852 0.015 1
1 985 . 1 1 1 A 91 91 LYS HA H 91 4.130 4.013 0.117 1
1 994 . 1 1 1 A 91 91 LYS CA C 91 57.421 59.624 -2.203 1
1 995 . 1 1 1 A 91 91 LYS CB C 91 32.365 32.377 -0.012 1
1 999 . 1 1 1 A 91 91 LYS N N 91 121.976 121.238 0.738 1
1 1000 . 1 1 1 A 92 92 LEU H H 92 7.709 8.218 -0.509 1
1 1001 . 1 1 1 A 92 92 LEU HA H 92 4.171 3.868 0.303 1
1 1011 . 1 1 1 A 92 92 LEU CA C 92 55.449 57.816 -2.367 1
1 1012 . 1 1 1 A 92 92 LEU CB C 92 41.871 41.773 0.098 1
1 1016 . 1 1 1 A 92 92 LEU N N 92 121.802 120.471 1.331 1
1 1017 . 1 1 1 A 93 93 LYS H H 93 7.751 8.009 -0.258 1
1 1018 . 1 1 1 A 93 93 LYS HA H 93 4.197 4.281 -0.084 1
1 1027 . 1 1 1 A 93 93 LYS CA C 93 56.420 56.218 0.202 1
1 1028 . 1 1 1 A 93 93 LYS CB C 93 32.792 31.515 1.277 1
1 1032 . 1 1 1 A 93 93 LYS N N 93 121.954 116.737 5.217 1
1 1033 . 1 1 1 A 94 94 GLN H H 94 8.129 8.054 0.075 1
1 1034 . 1 1 1 A 94 94 GLN HA H 94 4.208 4.770 -0.562 1
1 1039 . 1 1 1 A 94 94 GLN CA C 94 55.891 55.025 0.866 1
1 1040 . 1 1 1 A 94 94 GLN CB C 94 29.236 28.667 0.569 1
1 1042 . 1 1 1 A 94 94 GLN N N 94 123.165 121.357 1.808 1
1 1 . 2 1 1 A 2 2 GLN H H 2 7.809 7.477 0.332 1
1 2 . 2 1 1 A 2 2 GLN HA H 2 4.394 4.388 0.006 1
1 7 . 2 1 1 A 2 2 GLN CA C 2 55.124 54.602 0.522 1
1 8 . 2 1 1 A 2 2 GLN CB C 2 30.385 28.179 2.206 1
1 10 . 2 1 1 A 2 2 GLN N N 2 126.586 118.035 8.551 1
1 11 . 2 1 1 A 3 3 LEU H H 3 8.598 8.589 0.009 1
1 12 . 2 1 1 A 3 3 LEU HA H 3 4.380 5.311 -0.931 1
1 22 . 2 1 1 A 3 3 LEU CA C 3 54.590 52.472 2.118 1
1 23 . 2 1 1 A 3 3 LEU CB C 3 43.701 45.713 -2.012 1
1 27 . 2 1 1 A 3 3 LEU N N 3 128.942 119.129 9.813 1
1 28 . 2 1 1 A 4 4 ASN H H 4 8.227 8.679 -0.452 1
1 29 . 2 1 1 A 4 4 ASN HA H 4 4.864 5.406 -0.542 1
1 32 . 2 1 1 A 4 4 ASN CA C 4 52.628 51.853 0.775 1
1 33 . 2 1 1 A 4 4 ASN CB C 4 41.258 43.322 -2.064 1
1 34 . 2 1 1 A 4 4 ASN N N 4 127.137 116.992 10.145 1
1 35 . 2 1 1 A 5 5 ILE H H 5 8.659 8.565 0.094 1
1 36 . 2 1 1 A 5 5 ILE HA H 5 4.901 5.228 -0.327 1
1 46 . 2 1 1 A 5 5 ILE CA C 5 60.288 59.273 1.015 1
1 47 . 2 1 1 A 5 5 ILE CB C 5 40.902 42.473 -1.571 1
1 51 . 2 1 1 A 5 5 ILE N N 5 126.355 115.440 10.915 1
1 52 . 2 1 1 A 6 6 THR H H 6 8.796 8.757 0.039 1
1 53 . 2 1 1 A 6 6 THR HA H 6 4.654 4.871 -0.217 1
1 58 . 2 1 1 A 6 6 THR CA C 6 60.751 60.904 -0.153 1
1 59 . 2 1 1 A 6 6 THR CB C 6 71.993 71.692 0.301 1
1 61 . 2 1 1 A 6 6 THR N N 6 123.546 117.461 6.085 1
1 62 . 2 1 1 A 7 7 GLY H H 7 8.833 9.186 -0.353 1
1 63 . 2 1 1 A 7 7 GLY HA2 H 7 3.764 4.209 -0.445 1
1 64 . 2 1 1 A 7 7 GLY HA3 H 7 5.071 4.216 0.855 1
1 65 . 2 1 1 A 7 7 GLY CA C 7 44.318 44.775 -0.457 1
1 66 . 2 1 1 A 7 7 GLY N N 7 112.240 115.121 -2.881 1
1 67 . 2 1 1 A 8 8 ASN H H 8 8.962 8.270 0.692 1
1 68 . 2 1 1 A 8 8 ASN HA H 8 4.828 5.213 -0.385 1
1 71 . 2 1 1 A 8 8 ASN CA C 8 52.799 52.331 0.468 1
1 72 . 2 1 1 A 8 8 ASN CB C 8 39.244 38.710 0.534 1
1 73 . 2 1 1 A 8 8 ASN N N 8 124.384 120.040 4.344 1
1 74 . 2 1 1 A 9 9 ASN H H 9 8.756 9.079 -0.323 1
1 75 . 2 1 1 A 9 9 ASN HA H 9 4.248 4.303 -0.055 1
1 78 . 2 1 1 A 9 9 ASN CA C 9 53.998 54.188 -0.190 1
1 79 . 2 1 1 A 9 9 ASN CB C 9 37.231 37.627 -0.396 1
1 80 . 2 1 1 A 9 9 ASN N N 9 120.082 118.302 1.780 1
1 81 . 2 1 1 A 10 10 VAL H H 10 6.825 7.469 -0.644 1
1 82 . 2 1 1 A 10 10 VAL HA H 10 4.097 4.609 -0.512 1
1 90 . 2 1 1 A 10 10 VAL CA C 10 60.425 60.646 -0.221 1
1 91 . 2 1 1 A 10 10 VAL CB C 10 34.765 35.541 -0.776 1
1 94 . 2 1 1 A 10 10 VAL N N 10 115.342 117.766 -2.424 1
1 95 . 2 1 1 A 11 11 GLU H H 11 8.347 8.481 -0.134 1
1 96 . 2 1 1 A 11 11 GLU HA H 11 4.174 4.459 -0.285 1
1 101 . 2 1 1 A 11 11 GLU CA C 11 55.442 56.471 -1.029 1
1 102 . 2 1 1 A 11 11 GLU CB C 11 30.114 29.673 0.441 1
1 104 . 2 1 1 A 11 11 GLU N N 11 129.115 126.344 2.771 1
1 105 . 2 1 1 A 12 12 ILE H H 12 8.942 8.690 0.252 1
1 106 . 2 1 1 A 12 12 ILE HA H 12 4.034 4.210 -0.176 1
1 116 . 2 1 1 A 12 12 ILE CA C 12 58.894 61.803 -2.909 1
1 117 . 2 1 1 A 12 12 ILE CB C 12 33.240 36.809 -3.569 1
1 121 . 2 1 1 A 12 12 ILE N N 12 128.622 125.770 2.852 1
1 122 . 2 1 1 A 13 13 THR H H 13 6.818 7.955 -1.137 1
1 123 . 2 1 1 A 13 13 THR HA H 13 4.429 4.889 -0.460 1
1 128 . 2 1 1 A 13 13 THR CA C 13 60.052 60.125 -0.073 1
1 129 . 2 1 1 A 13 13 THR CB C 13 70.842 70.510 0.332 1
1 131 . 2 1 1 A 13 13 THR N N 13 119.687 119.679 0.008 1
1 132 . 2 1 1 A 14 14 GLU H H 14 8.969 9.062 -0.093 1
1 133 . 2 1 1 A 14 14 GLU HA H 14 4.024 4.000 0.024 1
1 138 . 2 1 1 A 14 14 GLU CA C 14 59.794 59.674 0.120 1
1 139 . 2 1 1 A 14 14 GLU CB C 14 28.845 29.518 -0.673 1
1 141 . 2 1 1 A 14 14 GLU N N 14 123.290 123.428 -0.138 1
1 142 . 2 1 1 A 15 15 ALA H H 15 8.334 7.940 0.394 1
1 143 . 2 1 1 A 15 15 ALA HA H 15 4.151 4.111 0.040 1
1 147 . 2 1 1 A 15 15 ALA CA C 15 55.076 55.177 -0.101 1
1 148 . 2 1 1 A 15 15 ALA CB C 15 18.008 18.508 -0.500 1
1 149 . 2 1 1 A 15 15 ALA N N 15 121.958 121.939 0.019 1
1 150 . 2 1 1 A 16 16 LEU H H 16 7.765 8.117 -0.352 1
1 151 . 2 1 1 A 16 16 LEU HA H 16 4.240 4.328 -0.088 1
1 161 . 2 1 1 A 16 16 LEU CA C 16 57.674 58.430 -0.756 1
1 162 . 2 1 1 A 16 16 LEU CB C 16 42.122 41.880 0.242 1
1 166 . 2 1 1 A 16 16 LEU N N 16 123.064 119.932 3.132 1
1 167 . 2 1 1 A 17 17 ARG H H 17 8.627 8.091 0.536 1
1 168 . 2 1 1 A 17 17 ARG HA H 17 3.595 4.102 -0.507 1
1 175 . 2 1 1 A 17 17 ARG CA C 17 60.573 59.179 1.394 1
1 176 . 2 1 1 A 17 17 ARG CB C 17 29.679 30.322 -0.643 1
1 179 . 2 1 1 A 17 17 ARG N N 17 121.878 118.017 3.861 1
1 180 . 2 1 1 A 18 18 GLU H H 18 8.665 8.057 0.608 1
1 181 . 2 1 1 A 18 18 GLU HA H 18 3.952 4.113 -0.161 1
1 186 . 2 1 1 A 18 18 GLU CA C 18 59.654 59.472 0.182 1
1 187 . 2 1 1 A 18 18 GLU CB C 18 29.301 29.797 -0.496 1
1 189 . 2 1 1 A 18 18 GLU N N 18 123.257 119.510 3.747 1
1 190 . 2 1 1 A 19 19 PHE H H 19 8.026 8.309 -0.283 1
1 191 . 2 1 1 A 19 19 PHE HA H 19 4.258 4.155 0.103 1
1 195 . 2 1 1 A 19 19 PHE CA C 19 61.640 61.452 0.188 1
1 196 . 2 1 1 A 19 19 PHE CB C 19 39.547 39.450 0.097 1
1 198 . 2 1 1 A 19 19 PHE N N 19 123.888 121.935 1.953 1
1 199 . 2 1 1 A 20 20 VAL H H 20 8.734 8.153 0.581 1
1 200 . 2 1 1 A 20 20 VAL HA H 20 3.336 3.632 -0.296 1
1 208 . 2 1 1 A 20 20 VAL CA C 20 67.245 66.634 0.611 1
1 209 . 2 1 1 A 20 20 VAL CB C 20 31.965 31.798 0.167 1
1 212 . 2 1 1 A 20 20 VAL N N 20 119.762 118.929 0.833 1
1 213 . 2 1 1 A 21 21 THR H H 21 8.213 8.298 -0.085 1
1 214 . 2 1 1 A 21 21 THR HA H 21 3.615 3.993 -0.378 1
1 218 . 2 1 1 A 21 21 THR CA C 21 67.657 66.365 1.292 1
1 219 . 2 1 1 A 21 21 THR CB C 21 68.697 68.274 0.423 1
1 221 . 2 1 1 A 21 21 THR N N 21 117.446 114.572 2.874 1
1 222 . 2 1 1 A 22 22 ALA H H 22 8.050 8.638 -0.588 1
1 223 . 2 1 1 A 22 22 ALA HA H 22 4.084 3.972 0.112 1
1 227 . 2 1 1 A 22 22 ALA CA C 22 54.998 55.554 -0.556 1
1 228 . 2 1 1 A 22 22 ALA CB C 22 17.880 18.509 -0.629 1
1 229 . 2 1 1 A 22 22 ALA N N 22 125.291 123.285 2.006 1
1 230 . 2 1 1 A 23 23 LYS H H 23 7.868 7.532 0.336 1
1 231 . 2 1 1 A 23 23 LYS HA H 23 3.886 3.883 0.003 1
1 240 . 2 1 1 A 23 23 LYS CA C 23 57.286 58.855 -1.569 1
1 241 . 2 1 1 A 23 23 LYS CB C 23 30.651 32.245 -1.594 1
1 245 . 2 1 1 A 23 23 LYS N N 23 119.332 117.389 1.943 1
1 246 . 2 1 1 A 24 24 PHE H H 24 8.369 8.254 0.115 1
1 247 . 2 1 1 A 24 24 PHE HA H 24 3.805 4.366 -0.561 1
1 252 . 2 1 1 A 24 24 PHE CA C 24 62.055 60.502 1.553 1
1 253 . 2 1 1 A 24 24 PHE CB C 24 38.744 38.694 0.050 1
1 256 . 2 1 1 A 24 24 PHE N N 24 119.142 118.310 0.832 1
1 257 . 2 1 1 A 25 25 ALA H H 25 7.879 8.222 -0.343 1
1 258 . 2 1 1 A 25 25 ALA HA H 25 4.140 4.125 0.015 1
1 262 . 2 1 1 A 25 25 ALA CA C 25 55.014 55.263 -0.249 1
1 263 . 2 1 1 A 25 25 ALA CB C 25 17.773 18.271 -0.498 1
1 264 . 2 1 1 A 25 25 ALA N N 25 123.500 121.648 1.852 1
1 265 . 2 1 1 A 26 26 LYS H H 26 7.217 7.501 -0.284 1
1 266 . 2 1 1 A 26 26 LYS HA H 26 4.024 3.900 0.124 1
1 275 . 2 1 1 A 26 26 LYS CA C 26 58.189 59.145 -0.956 1
1 276 . 2 1 1 A 26 26 LYS CB C 26 32.033 32.040 -0.007 1
1 280 . 2 1 1 A 26 26 LYS N N 26 118.541 118.232 0.309 1
1 281 . 2 1 1 A 27 27 LEU H H 27 7.773 7.626 0.147 1
1 282 . 2 1 1 A 27 27 LEU HA H 27 4.257 3.234 1.023 1
1 292 . 2 1 1 A 27 27 LEU CA C 27 55.889 55.875 0.014 1
1 293 . 2 1 1 A 27 27 LEU CB C 27 41.083 41.671 -0.588 1
1 297 . 2 1 1 A 27 27 LEU N N 27 118.340 119.028 -0.688 1
1 298 . 2 1 1 A 28 28 GLU H H 28 7.296 8.243 -0.947 1
1 299 . 2 1 1 A 28 28 GLU HA H 28 3.489 4.160 -0.671 1
1 304 . 2 1 1 A 28 28 GLU CA C 28 58.336 58.562 -0.226 1
1 305 . 2 1 1 A 28 28 GLU CB C 28 29.265 29.740 -0.475 1
1 307 . 2 1 1 A 28 28 GLU N N 28 119.557 120.549 -0.992 1
1 308 . 2 1 1 A 29 29 GLN H H 29 7.783 7.561 0.222 1
1 309 . 2 1 1 A 29 29 GLN HA H 29 3.923 4.005 -0.082 1
1 314 . 2 1 1 A 29 29 GLN CA C 29 57.387 58.304 -0.917 1
1 315 . 2 1 1 A 29 29 GLN CB C 29 28.082 28.963 -0.881 1
1 317 . 2 1 1 A 29 29 GLN N N 29 117.927 118.622 -0.695 1
1 318 . 2 1 1 A 30 30 TYR H H 30 7.731 6.842 0.889 1
1 319 . 2 1 1 A 30 30 TYR HA H 30 4.433 4.557 -0.124 1
1 324 . 2 1 1 A 30 30 TYR CA C 30 58.371 57.644 0.727 1
1 325 . 2 1 1 A 30 30 TYR CB C 30 39.297 39.094 0.203 1
1 328 . 2 1 1 A 30 30 TYR N N 30 118.639 116.023 2.616 1
1 329 . 2 1 1 A 31 31 PHE H H 31 7.652 7.437 0.215 1
1 330 . 2 1 1 A 31 31 PHE HA H 31 4.605 5.163 -0.558 1
1 334 . 2 1 1 A 31 31 PHE CA C 31 58.507 56.258 2.249 1
1 335 . 2 1 1 A 31 31 PHE CB C 31 40.438 41.319 -0.881 1
1 337 . 2 1 1 A 31 31 PHE N N 31 119.753 119.673 0.080 1
1 338 . 2 1 1 A 32 32 ASP H H 32 8.087 8.835 -0.748 1
1 339 . 2 1 1 A 32 32 ASP HA H 32 4.465 4.970 -0.505 1
1 342 . 2 1 1 A 32 32 ASP CA C 32 55.094 55.100 -0.006 1
1 343 . 2 1 1 A 32 32 ASP CB C 32 40.511 42.277 -1.766 1
1 344 . 2 1 1 A 32 32 ASP N N 32 121.865 123.528 -1.663 1
1 345 . 2 1 1 A 33 33 ARG H H 33 7.083 7.911 -0.828 1
1 346 . 2 1 1 A 33 33 ARG HA H 33 4.412 4.502 -0.090 1
1 353 . 2 1 1 A 33 33 ARG CA C 33 55.082 55.637 -0.555 1
1 354 . 2 1 1 A 33 33 ARG CB C 33 30.409 28.581 1.828 1
1 357 . 2 1 1 A 33 33 ARG N N 33 119.603 116.615 2.988 1
1 358 . 2 1 1 A 34 34 ILE H H 34 8.139 8.146 -0.007 1
1 359 . 2 1 1 A 34 34 ILE HA H 34 4.051 4.844 -0.793 1
1 369 . 2 1 1 A 34 34 ILE CA C 34 61.543 60.610 0.933 1
1 370 . 2 1 1 A 34 34 ILE CB C 34 39.510 41.474 -1.964 1
1 374 . 2 1 1 A 34 34 ILE N N 34 123.576 123.990 -0.414 1
1 375 . 2 1 1 A 35 35 ASN H H 35 8.560 8.740 -0.180 1
1 376 . 2 1 1 A 35 35 ASN HA H 35 4.870 4.958 -0.088 1
1 379 . 2 1 1 A 35 35 ASN CA C 35 53.877 54.047 -0.170 1
1 380 . 2 1 1 A 35 35 ASN CB C 35 38.806 39.747 -0.941 1
1 381 . 2 1 1 A 35 35 ASN N N 35 126.934 120.218 6.716 1
1 382 . 2 1 1 A 36 36 GLN H H 36 7.843 7.881 -0.038 1
1 383 . 2 1 1 A 36 36 GLN HA H 36 4.519 5.334 -0.815 1
1 388 . 2 1 1 A 36 36 GLN CA C 36 56.345 54.301 2.044 1
1 389 . 2 1 1 A 36 36 GLN CB C 36 31.240 31.282 -0.042 1
1 391 . 2 1 1 A 36 36 GLN N N 36 120.673 118.048 2.625 1
1 392 . 2 1 1 A 37 37 VAL H H 37 8.330 8.942 -0.612 1
1 393 . 2 1 1 A 37 37 VAL HA H 37 4.693 4.943 -0.250 1
1 401 . 2 1 1 A 37 37 VAL CA C 37 60.789 61.056 -0.267 1
1 402 . 2 1 1 A 37 37 VAL CB C 37 34.740 34.835 -0.095 1
1 405 . 2 1 1 A 37 37 VAL N N 37 123.403 126.466 -3.063 1
1 406 . 2 1 1 A 38 38 TYR H H 38 8.943 8.144 0.799 1
1 407 . 2 1 1 A 38 38 TYR HA H 38 5.039 6.196 -1.157 1
1 412 . 2 1 1 A 38 38 TYR CA C 38 57.028 55.318 1.710 1
1 413 . 2 1 1 A 38 38 TYR CB C 38 39.705 42.212 -2.507 1
1 416 . 2 1 1 A 38 38 TYR N N 38 129.202 123.126 6.076 1
1 417 . 2 1 1 A 39 39 VAL H H 39 9.053 8.412 0.641 1
1 418 . 2 1 1 A 39 39 VAL HA H 39 5.048 5.027 0.021 1
1 426 . 2 1 1 A 39 39 VAL CA C 39 60.685 60.538 0.147 1
1 427 . 2 1 1 A 39 39 VAL CB C 39 34.107 35.258 -1.151 1
1 430 . 2 1 1 A 39 39 VAL N N 39 127.771 122.422 5.349 1
1 431 . 2 1 1 A 40 40 VAL H H 40 9.276 8.601 0.675 1
1 432 . 2 1 1 A 40 40 VAL HA H 40 4.862 5.069 -0.207 1
1 440 . 2 1 1 A 40 40 VAL CA C 40 60.896 60.872 0.024 1
1 441 . 2 1 1 A 40 40 VAL CB C 40 34.411 35.774 -1.363 1
1 444 . 2 1 1 A 40 40 VAL N N 40 130.939 126.285 4.654 1
1 445 . 2 1 1 A 41 41 LEU H H 41 8.714 8.812 -0.098 1
1 446 . 2 1 1 A 41 41 LEU HA H 41 5.111 5.534 -0.423 1
1 456 . 2 1 1 A 41 41 LEU CA C 41 53.150 52.943 0.207 1
1 457 . 2 1 1 A 41 41 LEU CB C 41 42.538 45.279 -2.741 1
1 461 . 2 1 1 A 41 41 LEU N N 41 130.200 125.118 5.082 1
1 462 . 2 1 1 A 42 42 LYS H H 42 8.955 9.912 -0.957 1
1 463 . 2 1 1 A 42 42 LYS HA H 42 5.180 5.538 -0.358 1
1 472 . 2 1 1 A 42 42 LYS CA C 42 55.017 54.755 0.262 1
1 473 . 2 1 1 A 42 42 LYS CB C 42 36.649 34.698 1.951 1
1 477 . 2 1 1 A 42 42 LYS N N 42 124.155 123.081 1.074 1
1 478 . 2 1 1 A 43 43 VAL H H 43 7.515 8.646 -1.131 1
1 479 . 2 1 1 A 43 43 VAL HA H 43 4.360 4.491 -0.131 1
1 487 . 2 1 1 A 43 43 VAL CA C 43 61.230 61.077 0.153 1
1 488 . 2 1 1 A 43 43 VAL CB C 43 33.656 33.323 0.333 1
1 491 . 2 1 1 A 43 43 VAL N N 43 124.332 124.996 -0.664 1
1 492 . 2 1 1 A 44 44 GLU H H 44 8.092 8.299 -0.207 1
1 493 . 2 1 1 A 44 44 GLU HA H 44 4.368 4.770 -0.402 1
1 498 . 2 1 1 A 44 44 GLU CA C 44 55.445 54.367 1.078 1
1 499 . 2 1 1 A 44 44 GLU CB C 44 31.404 33.170 -1.766 1
1 501 . 2 1 1 A 44 44 GLU N N 44 130.594 125.135 5.459 1
1 502 . 2 1 1 A 45 45 LYS H H 45 8.982 8.603 0.379 1
1 503 . 2 1 1 A 45 45 LYS HA H 45 3.695 3.947 -0.252 1
1 512 . 2 1 1 A 45 45 LYS CA C 45 59.588 59.043 0.545 1
1 513 . 2 1 1 A 45 45 LYS CB C 45 30.077 32.187 -2.110 1
1 517 . 2 1 1 A 45 45 LYS N N 45 125.587 120.821 4.766 1
1 518 . 2 1 1 A 46 46 VAL H H 46 7.710 7.575 0.135 1
1 519 . 2 1 1 A 46 46 VAL HA H 46 4.346 4.402 -0.056 1
1 527 . 2 1 1 A 46 46 VAL CA C 46 61.342 61.753 -0.411 1
1 528 . 2 1 1 A 46 46 VAL CB C 46 31.917 32.117 -0.200 1
1 531 . 2 1 1 A 46 46 VAL N N 46 115.763 118.750 -2.987 1
1 532 . 2 1 1 A 47 47 THR H H 47 8.151 8.694 -0.543 1
1 533 . 2 1 1 A 47 47 THR HA H 47 4.397 4.716 -0.319 1
1 538 . 2 1 1 A 47 47 THR CA C 47 63.072 62.483 0.589 1
1 539 . 2 1 1 A 47 47 THR CB C 47 69.615 70.105 -0.490 1
1 541 . 2 1 1 A 47 47 THR N N 47 120.888 117.523 3.365 1
1 542 . 2 1 1 A 48 48 HIS H H 48 8.753 9.152 -0.399 1
1 543 . 2 1 1 A 48 48 HIS HA H 48 4.826 5.181 -0.355 1
1 547 . 2 1 1 A 48 48 HIS CA C 48 55.978 55.620 0.358 1
1 548 . 2 1 1 A 48 48 HIS CB C 48 30.476 32.005 -1.529 1
1 550 . 2 1 1 A 48 48 HIS N N 48 130.755 122.844 7.911 1
1 551 . 2 1 1 A 49 49 THR H H 49 9.136 8.392 0.744 1
1 552 . 2 1 1 A 49 49 THR HA H 49 5.245 5.120 0.125 1
1 557 . 2 1 1 A 49 49 THR CA C 49 60.941 61.062 -0.121 1
1 558 . 2 1 1 A 49 49 THR CB C 49 71.411 71.499 -0.088 1
1 560 . 2 1 1 A 49 49 THR N N 49 118.522 115.392 3.130 1
1 561 . 2 1 1 A 50 50 SER H H 50 9.050 8.909 0.141 1
1 562 . 2 1 1 A 50 50 SER HA H 50 5.348 5.829 -0.481 1
1 565 . 2 1 1 A 50 50 SER CA C 50 55.645 57.024 -1.379 1
1 566 . 2 1 1 A 50 50 SER CB C 50 66.579 66.086 0.493 1
1 567 . 2 1 1 A 50 50 SER N N 50 119.749 122.653 -2.904 1
1 568 . 2 1 1 A 51 51 ASP H H 51 8.843 9.762 -0.919 1
1 569 . 2 1 1 A 51 51 ASP HA H 51 5.363 6.090 -0.727 1
1 572 . 2 1 1 A 51 51 ASP CA C 51 52.879 52.228 0.651 1
1 573 . 2 1 1 A 51 51 ASP CB C 51 45.173 44.654 0.519 1
1 574 . 2 1 1 A 51 51 ASP N N 51 126.330 122.373 3.957 1
1 575 . 2 1 1 A 52 52 ALA H H 52 8.938 9.441 -0.503 1
1 576 . 2 1 1 A 52 52 ALA HA H 52 5.777 5.114 0.663 1
1 580 . 2 1 1 A 52 52 ALA CA C 52 50.806 51.466 -0.660 1
1 581 . 2 1 1 A 52 52 ALA CB C 52 24.676 21.109 3.567 1
1 582 . 2 1 1 A 52 52 ALA N N 52 122.789 122.010 0.779 1
1 583 . 2 1 1 A 53 53 THR H H 53 8.666 8.754 -0.088 1
1 584 . 2 1 1 A 53 53 THR HA H 53 4.979 4.788 0.191 1
1 589 . 2 1 1 A 53 53 THR CA C 53 62.026 61.199 0.827 1
1 590 . 2 1 1 A 53 53 THR CB C 53 70.850 68.708 2.142 1
1 592 . 2 1 1 A 53 53 THR N N 53 118.344 118.276 0.068 1
1 593 . 2 1 1 A 54 54 LEU H H 54 9.662 8.834 0.828 1
1 594 . 2 1 1 A 54 54 LEU HA H 54 4.921 5.076 -0.155 1
1 604 . 2 1 1 A 54 54 LEU CA C 54 53.923 53.927 -0.004 1
1 605 . 2 1 1 A 54 54 LEU CB C 54 43.782 44.237 -0.455 1
1 609 . 2 1 1 A 54 54 LEU N N 54 129.166 127.665 1.501 1
1 610 . 2 1 1 A 55 55 HIS H H 55 8.956 9.190 -0.234 1
1 611 . 2 1 1 A 55 55 HIS HA H 55 4.882 5.188 -0.306 1
1 615 . 2 1 1 A 55 55 HIS CA C 55 56.326 54.917 1.409 1
1 616 . 2 1 1 A 55 55 HIS CB C 55 30.431 32.041 -1.610 1
1 618 . 2 1 1 A 55 55 HIS N N 55 126.094 121.783 4.311 1
1 619 . 2 1 1 A 56 56 VAL H H 56 8.151 8.492 -0.341 1
1 620 . 2 1 1 A 56 56 VAL HA H 56 4.856 4.736 0.120 1
1 628 . 2 1 1 A 56 56 VAL CA C 56 58.734 59.248 -0.514 1
1 629 . 2 1 1 A 56 56 VAL CB C 56 34.523 35.784 -1.261 1
1 632 . 2 1 1 A 56 56 VAL N N 56 120.242 116.042 4.200 1
1 633 . 2 1 1 A 57 57 ASN H H 57 8.970 8.812 0.158 1
1 634 . 2 1 1 A 57 57 ASN HA H 57 4.463 4.359 0.104 1
1 637 . 2 1 1 A 57 57 ASN CA C 57 54.963 54.894 0.069 1
1 638 . 2 1 1 A 57 57 ASN CB C 57 37.481 37.652 -0.171 1
1 639 . 2 1 1 A 57 57 ASN N N 57 124.652 120.909 3.743 1
1 640 . 2 1 1 A 58 58 GLY H H 58 8.868 8.659 0.209 1
1 641 . 2 1 1 A 58 58 GLY HA2 H 58 3.814 4.030 -0.216 1
1 642 . 2 1 1 A 58 58 GLY HA3 H 58 4.152 4.046 0.106 1
1 643 . 2 1 1 A 58 58 GLY CA C 58 45.606 45.035 0.571 1
1 644 . 2 1 1 A 58 58 GLY N N 58 112.816 111.828 0.988 1
1 645 . 2 1 1 A 59 59 GLY H H 59 7.848 7.358 0.490 1
1 646 . 2 1 1 A 59 59 GLY HA2 H 59 3.978 3.969 0.009 1
1 647 . 2 1 1 A 59 59 GLY HA3 H 59 4.153 3.984 0.169 1
1 648 . 2 1 1 A 59 59 GLY CA C 59 45.321 45.915 -0.594 1
1 649 . 2 1 1 A 59 59 GLY N N 59 109.857 107.938 1.919 1
1 650 . 2 1 1 A 60 60 GLU H H 60 8.262 8.696 -0.434 1
1 651 . 2 1 1 A 60 60 GLU HA H 60 5.110 4.915 0.195 1
1 656 . 2 1 1 A 60 60 GLU CA C 60 54.756 54.689 0.067 1
1 657 . 2 1 1 A 60 60 GLU CB C 60 32.933 33.528 -0.595 1
1 659 . 2 1 1 A 60 60 GLU N N 60 121.732 119.112 2.620 1
1 660 . 2 1 1 A 61 61 ILE H H 61 8.764 8.617 0.147 1
1 661 . 2 1 1 A 61 61 ILE HA H 61 4.286 4.855 -0.569 1
1 671 . 2 1 1 A 61 61 ILE CA C 61 59.713 60.144 -0.431 1
1 672 . 2 1 1 A 61 61 ILE CB C 61 41.194 39.773 1.421 1
1 676 . 2 1 1 A 61 61 ILE N N 61 124.817 123.949 0.868 1
1 677 . 2 1 1 A 62 62 HIS H H 62 8.907 8.903 0.004 1
1 678 . 2 1 1 A 62 62 HIS HA H 62 5.743 5.218 0.525 1
1 682 . 2 1 1 A 62 62 HIS CA C 62 54.009 53.589 0.420 1
1 683 . 2 1 1 A 62 62 HIS CB C 62 32.365 33.127 -0.762 1
1 685 . 2 1 1 A 62 62 HIS N N 62 127.338 126.905 0.433 1
1 686 . 2 1 1 A 63 63 ALA H H 63 8.298 9.237 -0.939 1
1 687 . 2 1 1 A 63 63 ALA HA H 63 4.480 5.435 -0.955 1
1 691 . 2 1 1 A 63 63 ALA CA C 63 51.764 50.316 1.448 1
1 692 . 2 1 1 A 63 63 ALA CB C 63 23.678 23.359 0.319 1
1 693 . 2 1 1 A 63 63 ALA N N 63 125.511 130.662 -5.151 1
1 694 . 2 1 1 A 64 64 SER H H 64 8.070 8.831 -0.761 1
1 695 . 2 1 1 A 64 64 SER HA H 64 5.286 5.381 -0.095 1
1 698 . 2 1 1 A 64 64 SER CA C 64 56.782 57.052 -0.270 1
1 699 . 2 1 1 A 64 64 SER CB C 64 65.895 65.991 -0.096 1
1 700 . 2 1 1 A 64 64 SER N N 64 114.469 115.525 -1.056 1
1 701 . 2 1 1 A 65 65 ALA H H 65 8.904 8.868 0.036 1
1 702 . 2 1 1 A 65 65 ALA HA H 65 4.669 5.280 -0.611 1
1 706 . 2 1 1 A 65 65 ALA CA C 65 51.753 50.799 0.954 1
1 707 . 2 1 1 A 65 65 ALA CB C 65 22.599 24.065 -1.466 1
1 708 . 2 1 1 A 65 65 ALA N N 65 126.977 124.251 2.726 1
1 709 . 2 1 1 A 66 66 GLU H H 66 8.200 8.856 -0.656 1
1 710 . 2 1 1 A 66 66 GLU HA H 66 5.680 5.285 0.395 1
1 715 . 2 1 1 A 66 66 GLU CA C 66 53.650 54.739 -1.089 1
1 716 . 2 1 1 A 66 66 GLU CB C 66 33.741 33.680 0.061 1
1 718 . 2 1 1 A 66 66 GLU N N 66 119.267 118.166 1.101 1
1 719 . 2 1 1 A 67 67 GLY H H 67 8.836 8.635 0.201 1
1 720 . 2 1 1 A 67 67 GLY HA2 H 67 4.490 4.391 0.099 1
1 721 . 2 1 1 A 67 67 GLY HA3 H 67 3.728 4.400 -0.672 1
1 722 . 2 1 1 A 67 67 GLY CA C 67 45.157 44.795 0.362 1
1 723 . 2 1 1 A 67 67 GLY N N 67 108.048 107.617 0.431 1
1 724 . 2 1 1 A 68 68 GLN H H 68 8.997 8.680 0.317 1
1 725 . 2 1 1 A 68 68 GLN HA H 68 4.440 3.957 0.483 1
1 730 . 2 1 1 A 68 68 GLN CA C 68 56.996 57.753 -0.757 1
1 731 . 2 1 1 A 68 68 GLN CB C 68 28.694 28.735 -0.041 1
1 733 . 2 1 1 A 68 68 GLN N N 68 119.961 119.915 0.046 1
1 734 . 2 1 1 A 69 69 ASP H H 69 7.542 7.324 0.218 1
1 735 . 2 1 1 A 69 69 ASP HA H 69 3.242 4.308 -1.066 1
1 738 . 2 1 1 A 69 69 ASP CA C 69 51.838 52.507 -0.669 1
1 739 . 2 1 1 A 69 69 ASP CB C 69 42.829 42.782 0.047 1
1 740 . 2 1 1 A 69 69 ASP N N 69 115.279 114.140 1.139 1
1 741 . 2 1 1 A 70 70 MET H H 70 8.409 8.750 -0.341 1
1 742 . 2 1 1 A 70 70 MET HA H 70 4.200 4.211 -0.011 1
1 747 . 2 1 1 A 70 70 MET CA C 70 56.505 58.305 -1.800 1
1 748 . 2 1 1 A 70 70 MET CB C 70 31.533 32.326 -0.793 1
1 750 . 2 1 1 A 70 70 MET N N 70 120.495 119.119 1.376 1
1 751 . 2 1 1 A 71 71 TYR H H 71 7.304 7.452 -0.148 1
1 752 . 2 1 1 A 71 71 TYR HA H 71 3.832 4.283 -0.451 1
1 757 . 2 1 1 A 71 71 TYR CA C 71 60.141 60.503 -0.362 1
1 758 . 2 1 1 A 71 71 TYR CB C 71 35.788 38.863 -3.075 1
1 761 . 2 1 1 A 71 71 TYR N N 71 120.024 118.156 1.868 1
1 762 . 2 1 1 A 72 72 ALA H H 72 8.474 8.457 0.017 1
1 763 . 2 1 1 A 72 72 ALA HA H 72 4.213 3.988 0.225 1
1 767 . 2 1 1 A 72 72 ALA CA C 72 54.526 55.177 -0.651 1
1 768 . 2 1 1 A 72 72 ALA CB C 72 18.884 18.218 0.666 1
1 769 . 2 1 1 A 72 72 ALA N N 72 123.384 122.846 0.538 1
1 770 . 2 1 1 A 73 73 ALA H H 73 7.595 8.115 -0.520 1
1 771 . 2 1 1 A 73 73 ALA HA H 73 3.731 4.149 -0.418 1
1 775 . 2 1 1 A 73 73 ALA CA C 73 55.647 54.906 0.741 1
1 776 . 2 1 1 A 73 73 ALA CB C 73 17.460 18.604 -1.144 1
1 777 . 2 1 1 A 73 73 ALA N N 73 123.415 119.863 3.552 1
1 778 . 2 1 1 A 74 74 ILE H H 74 7.958 7.957 0.001 1
1 779 . 2 1 1 A 74 74 ILE HA H 74 3.692 3.865 -0.173 1
1 789 . 2 1 1 A 74 74 ILE CA C 74 63.902 64.909 -1.007 1
1 790 . 2 1 1 A 74 74 ILE CB C 74 37.010 36.959 0.051 1
1 794 . 2 1 1 A 74 74 ILE N N 74 119.834 119.047 0.787 1
1 795 . 2 1 1 A 75 75 ASP H H 75 8.468 8.323 0.145 1
1 796 . 2 1 1 A 75 75 ASP HA H 75 4.282 4.428 -0.146 1
1 799 . 2 1 1 A 75 75 ASP CA C 75 58.107 57.415 0.692 1
1 800 . 2 1 1 A 75 75 ASP CB C 75 40.628 40.763 -0.135 1
1 801 . 2 1 1 A 75 75 ASP N N 75 122.091 122.009 0.082 1
1 802 . 2 1 1 A 76 76 GLY H H 76 8.041 8.294 -0.253 1
1 803 . 2 1 1 A 76 76 GLY HA2 H 76 3.845 3.714 0.131 1
1 804 . 2 1 1 A 76 76 GLY HA3 H 76 3.863 3.717 0.146 1
1 805 . 2 1 1 A 76 76 GLY CA C 76 46.668 47.380 -0.712 1
1 806 . 2 1 1 A 76 76 GLY N N 76 108.081 108.042 0.039 1
1 807 . 2 1 1 A 77 77 LEU H H 77 8.088 8.012 0.076 1
1 808 . 2 1 1 A 77 77 LEU HA H 77 3.709 4.216 -0.507 1
1 818 . 2 1 1 A 77 77 LEU CA C 77 57.865 57.319 0.546 1
1 819 . 2 1 1 A 77 77 LEU CB C 77 41.828 41.633 0.195 1
1 823 . 2 1 1 A 77 77 LEU N N 77 126.711 122.751 3.960 1
1 824 . 2 1 1 A 78 78 ILE H H 78 8.155 8.262 -0.107 1
1 825 . 2 1 1 A 78 78 ILE HA H 78 3.316 3.901 -0.585 1
1 835 . 2 1 1 A 78 78 ILE CA C 78 62.813 62.988 -0.175 1
1 836 . 2 1 1 A 78 78 ILE CB C 78 34.810 37.713 -2.903 1
1 840 . 2 1 1 A 78 78 ILE N N 78 120.409 118.613 1.796 1
1 841 . 2 1 1 A 79 79 ASP H H 79 7.408 7.900 -0.492 1
1 842 . 2 1 1 A 79 79 ASP HA H 79 4.274 4.331 -0.057 1
1 845 . 2 1 1 A 79 79 ASP CA C 79 57.605 57.318 0.287 1
1 846 . 2 1 1 A 79 79 ASP CB C 79 41.017 41.182 -0.165 1
1 847 . 2 1 1 A 79 79 ASP N N 79 120.497 121.947 -1.450 1
1 848 . 2 1 1 A 80 80 LYS H H 80 7.536 7.952 -0.416 1
1 849 . 2 1 1 A 80 80 LYS HA H 80 3.931 4.069 -0.138 1
1 858 . 2 1 1 A 80 80 LYS CA C 80 59.952 59.031 0.921 1
1 859 . 2 1 1 A 80 80 LYS CB C 80 33.221 31.488 1.733 1
1 863 . 2 1 1 A 80 80 LYS N N 80 119.684 118.121 1.563 1
1 864 . 2 1 1 A 81 81 LEU H H 81 8.473 7.657 0.816 1
1 865 . 2 1 1 A 81 81 LEU HA H 81 3.765 3.992 -0.227 1
1 875 . 2 1 1 A 81 81 LEU CA C 81 57.564 57.728 -0.164 1
1 876 . 2 1 1 A 81 81 LEU CB C 81 42.473 41.920 0.553 1
1 880 . 2 1 1 A 81 81 LEU N N 81 121.519 121.323 0.196 1
1 881 . 2 1 1 A 82 82 ALA H H 82 8.682 8.183 0.499 1
1 882 . 2 1 1 A 82 82 ALA HA H 82 3.479 4.272 -0.793 1
1 886 . 2 1 1 A 82 82 ALA CA C 82 55.731 55.846 -0.115 1
1 887 . 2 1 1 A 82 82 ALA CB C 82 17.388 18.267 -0.879 1
1 888 . 2 1 1 A 82 82 ALA N N 82 123.814 120.960 2.854 1
1 889 . 2 1 1 A 83 83 ARG H H 83 7.329 7.838 -0.509 1
1 890 . 2 1 1 A 83 83 ARG HA H 83 3.981 4.063 -0.082 1
1 897 . 2 1 1 A 83 83 ARG CA C 83 59.137 59.716 -0.579 1
1 898 . 2 1 1 A 83 83 ARG CB C 83 29.971 30.082 -0.111 1
1 901 . 2 1 1 A 83 83 ARG N N 83 118.219 117.667 0.552 1
1 902 . 2 1 1 A 84 84 GLN H H 84 7.750 7.567 0.183 1
1 903 . 2 1 1 A 84 84 GLN HA H 84 4.047 4.075 -0.028 1
1 906 . 2 1 1 A 84 84 GLN CA C 84 58.685 58.368 0.317 1
1 907 . 2 1 1 A 84 84 GLN CB C 84 29.903 28.518 1.385 1
1 909 . 2 1 1 A 84 84 GLN N N 84 119.887 119.171 0.716 1
1 910 . 2 1 1 A 85 85 LEU H H 85 8.610 8.431 0.179 1
1 911 . 2 1 1 A 85 85 LEU HA H 85 3.788 3.427 0.361 1
1 920 . 2 1 1 A 85 85 LEU CA C 85 57.600 57.455 0.145 1
1 921 . 2 1 1 A 85 85 LEU CB C 85 41.178 41.078 0.100 1
1 925 . 2 1 1 A 85 85 LEU N N 85 122.951 120.104 2.847 1
1 926 . 2 1 1 A 86 86 THR H H 86 7.709 8.363 -0.654 1
1 927 . 2 1 1 A 86 86 THR HA H 86 4.056 4.137 -0.081 1
1 932 . 2 1 1 A 86 86 THR CA C 86 65.924 67.171 -1.247 1
1 933 . 2 1 1 A 86 86 THR CB C 86 68.870 67.853 1.017 1
1 935 . 2 1 1 A 86 86 THR N N 86 116.282 116.208 0.074 1
1 936 . 2 1 1 A 87 87 LYS H H 87 7.457 7.685 -0.228 1
1 937 . 2 1 1 A 87 87 LYS HA H 87 4.102 3.870 0.232 1
1 946 . 2 1 1 A 87 87 LYS CA C 87 58.289 59.772 -1.483 1
1 947 . 2 1 1 A 87 87 LYS CB C 87 32.293 32.211 0.082 1
1 951 . 2 1 1 A 87 87 LYS N N 87 122.670 120.478 2.192 1
1 952 . 2 1 1 A 88 88 HIS H H 88 7.928 7.961 -0.033 1
1 953 . 2 1 1 A 88 88 HIS HA H 88 4.301 4.409 -0.108 1
1 957 . 2 1 1 A 88 88 HIS CA C 88 58.361 58.532 -0.171 1
1 958 . 2 1 1 A 88 88 HIS CB C 88 30.766 28.183 2.583 1
1 960 . 2 1 1 A 88 88 HIS N N 88 121.382 116.559 4.823 1
1 961 . 2 1 1 A 89 89 LYS H H 89 7.928 7.740 0.188 1
1 962 . 2 1 1 A 89 89 LYS HA H 89 3.934 4.187 -0.253 1
1 971 . 2 1 1 A 89 89 LYS CA C 89 58.568 58.848 -0.280 1
1 972 . 2 1 1 A 89 89 LYS CB C 89 32.489 32.415 0.074 1
1 976 . 2 1 1 A 89 89 LYS N N 89 121.821 121.143 0.678 1
1 977 . 2 1 1 A 90 90 ASP H H 90 8.143 7.898 0.245 1
1 978 . 2 1 1 A 90 90 ASP HA H 90 4.445 4.469 -0.024 1
1 981 . 2 1 1 A 90 90 ASP CA C 90 55.869 56.500 -0.631 1
1 982 . 2 1 1 A 90 90 ASP CB C 90 40.715 40.499 0.216 1
1 983 . 2 1 1 A 90 90 ASP N N 90 121.199 118.217 2.982 1
1 984 . 2 1 1 A 91 91 LYS H H 91 7.867 7.994 -0.127 1
1 985 . 2 1 1 A 91 91 LYS HA H 91 4.130 4.128 0.002 1
1 994 . 2 1 1 A 91 91 LYS CA C 91 57.421 59.476 -2.055 1
1 995 . 2 1 1 A 91 91 LYS CB C 91 32.365 32.442 -0.077 1
1 999 . 2 1 1 A 91 91 LYS N N 91 121.976 120.295 1.681 1
1 1000 . 2 1 1 A 92 92 LEU H H 92 7.709 7.907 -0.198 1
1 1001 . 2 1 1 A 92 92 LEU HA H 92 4.171 4.450 -0.279 1
1 1011 . 2 1 1 A 92 92 LEU CA C 92 55.449 54.360 1.089 1
1 1012 . 2 1 1 A 92 92 LEU CB C 92 41.871 39.485 2.386 1
1 1016 . 2 1 1 A 92 92 LEU N N 92 121.802 119.951 1.851 1
1 1017 . 2 1 1 A 93 93 LYS H H 93 7.751 8.494 -0.743 1
1 1018 . 2 1 1 A 93 93 LYS HA H 93 4.197 4.974 -0.777 1
1 1027 . 2 1 1 A 93 93 LYS CA C 93 56.420 54.339 2.081 1
1 1028 . 2 1 1 A 93 93 LYS CB C 93 32.792 36.308 -3.516 1
1 1032 . 2 1 1 A 93 93 LYS N N 93 121.954 124.901 -2.947 1
1 1033 . 2 1 1 A 94 94 GLN H H 94 8.129 8.650 -0.521 1
1 1034 . 2 1 1 A 94 94 GLN HA H 94 4.208 4.935 -0.727 1
1 1039 . 2 1 1 A 94 94 GLN CA C 94 55.891 53.785 2.106 1
1 1040 . 2 1 1 A 94 94 GLN CB C 94 29.236 30.970 -1.734 1
1 1042 . 2 1 1 A 94 94 GLN N N 94 123.165 121.725 1.440 1
1 1 . 3 1 1 A 2 2 GLN H H 2 7.809 7.460 0.349 1
1 2 . 3 1 1 A 2 2 GLN HA H 2 4.394 4.746 -0.352 1
1 7 . 3 1 1 A 2 2 GLN CA C 2 55.124 54.515 0.609 1
1 8 . 3 1 1 A 2 2 GLN CB C 2 30.385 32.295 -1.910 1
1 10 . 3 1 1 A 2 2 GLN N N 2 126.586 116.497 10.089 1
1 11 . 3 1 1 A 3 3 LEU H H 3 8.598 8.966 -0.368 1
1 12 . 3 1 1 A 3 3 LEU HA H 3 4.380 5.387 -1.007 1
1 22 . 3 1 1 A 3 3 LEU CA C 3 54.590 52.730 1.860 1
1 23 . 3 1 1 A 3 3 LEU CB C 3 43.701 44.793 -1.092 1
1 27 . 3 1 1 A 3 3 LEU N N 3 128.942 119.625 9.317 1
1 28 . 3 1 1 A 4 4 ASN H H 4 8.227 9.345 -1.118 1
1 29 . 3 1 1 A 4 4 ASN HA H 4 4.864 5.425 -0.561 1
1 32 . 3 1 1 A 4 4 ASN CA C 4 52.628 51.597 1.031 1
1 33 . 3 1 1 A 4 4 ASN CB C 4 41.258 41.696 -0.438 1
1 34 . 3 1 1 A 4 4 ASN N N 4 127.137 120.882 6.255 1
1 35 . 3 1 1 A 5 5 ILE H H 5 8.659 8.863 -0.204 1
1 36 . 3 1 1 A 5 5 ILE HA H 5 4.901 4.935 -0.034 1
1 46 . 3 1 1 A 5 5 ILE CA C 5 60.288 60.285 0.003 1
1 47 . 3 1 1 A 5 5 ILE CB C 5 40.902 39.662 1.240 1
1 51 . 3 1 1 A 5 5 ILE N N 5 126.355 126.429 -0.074 1
1 52 . 3 1 1 A 6 6 THR H H 6 8.796 8.702 0.094 1
1 53 . 3 1 1 A 6 6 THR HA H 6 4.654 4.824 -0.170 1
1 58 . 3 1 1 A 6 6 THR CA C 6 60.751 61.182 -0.431 1
1 59 . 3 1 1 A 6 6 THR CB C 6 71.993 71.449 0.544 1
1 61 . 3 1 1 A 6 6 THR N N 6 123.546 121.865 1.681 1
1 62 . 3 1 1 A 7 7 GLY H H 7 8.833 9.081 -0.248 1
1 63 . 3 1 1 A 7 7 GLY HA2 H 7 3.764 4.288 -0.524 1
1 64 . 3 1 1 A 7 7 GLY HA3 H 7 5.071 4.295 0.776 1
1 65 . 3 1 1 A 7 7 GLY CA C 7 44.318 44.376 -0.058 1
1 66 . 3 1 1 A 7 7 GLY N N 7 112.240 114.000 -1.760 1
1 67 . 3 1 1 A 8 8 ASN H H 8 8.962 8.731 0.231 1
1 68 . 3 1 1 A 8 8 ASN HA H 8 4.828 4.821 0.007 1
1 71 . 3 1 1 A 8 8 ASN CA C 8 52.799 52.962 -0.163 1
1 72 . 3 1 1 A 8 8 ASN CB C 8 39.244 38.135 1.109 1
1 73 . 3 1 1 A 8 8 ASN N N 8 124.384 119.896 4.488 1
1 74 . 3 1 1 A 9 9 ASN H H 9 8.756 9.051 -0.295 1
1 75 . 3 1 1 A 9 9 ASN HA H 9 4.248 4.312 -0.064 1
1 78 . 3 1 1 A 9 9 ASN CA C 9 53.998 54.135 -0.137 1
1 79 . 3 1 1 A 9 9 ASN CB C 9 37.231 37.316 -0.085 1
1 80 . 3 1 1 A 9 9 ASN N N 9 120.082 118.201 1.881 1
1 81 . 3 1 1 A 10 10 VAL H H 10 6.825 7.432 -0.607 1
1 82 . 3 1 1 A 10 10 VAL HA H 10 4.097 4.630 -0.533 1
1 90 . 3 1 1 A 10 10 VAL CA C 10 60.425 60.814 -0.389 1
1 91 . 3 1 1 A 10 10 VAL CB C 10 34.765 35.917 -1.152 1
1 94 . 3 1 1 A 10 10 VAL N N 10 115.342 117.697 -2.355 1
1 95 . 3 1 1 A 11 11 GLU H H 11 8.347 8.658 -0.311 1
1 96 . 3 1 1 A 11 11 GLU HA H 11 4.174 4.730 -0.556 1
1 101 . 3 1 1 A 11 11 GLU CA C 11 55.442 55.729 -0.287 1
1 102 . 3 1 1 A 11 11 GLU CB C 11 30.114 31.088 -0.974 1
1 104 . 3 1 1 A 11 11 GLU N N 11 129.115 127.225 1.890 1
1 105 . 3 1 1 A 12 12 ILE H H 12 8.942 8.695 0.247 1
1 106 . 3 1 1 A 12 12 ILE HA H 12 4.034 4.366 -0.332 1
1 116 . 3 1 1 A 12 12 ILE CA C 12 58.894 61.431 -2.537 1
1 117 . 3 1 1 A 12 12 ILE CB C 12 33.240 37.087 -3.847 1
1 121 . 3 1 1 A 12 12 ILE N N 12 128.622 127.493 1.129 1
1 122 . 3 1 1 A 13 13 THR H H 13 6.818 7.925 -1.107 1
1 123 . 3 1 1 A 13 13 THR HA H 13 4.429 4.919 -0.490 1
1 128 . 3 1 1 A 13 13 THR CA C 13 60.052 59.844 0.208 1
1 129 . 3 1 1 A 13 13 THR CB C 13 70.842 71.314 -0.472 1
1 131 . 3 1 1 A 13 13 THR N N 13 119.687 119.941 -0.254 1
1 132 . 3 1 1 A 14 14 GLU H H 14 8.969 9.040 -0.071 1
1 133 . 3 1 1 A 14 14 GLU HA H 14 4.024 4.007 0.017 1
1 138 . 3 1 1 A 14 14 GLU CA C 14 59.794 60.270 -0.476 1
1 139 . 3 1 1 A 14 14 GLU CB C 14 28.845 29.580 -0.735 1
1 141 . 3 1 1 A 14 14 GLU N N 14 123.290 122.685 0.605 1
1 142 . 3 1 1 A 15 15 ALA H H 15 8.334 7.919 0.415 1
1 143 . 3 1 1 A 15 15 ALA HA H 15 4.151 4.237 -0.086 1
1 147 . 3 1 1 A 15 15 ALA CA C 15 55.076 55.375 -0.299 1
1 148 . 3 1 1 A 15 15 ALA CB C 15 18.008 18.251 -0.243 1
1 149 . 3 1 1 A 15 15 ALA N N 15 121.958 121.992 -0.034 1
1 150 . 3 1 1 A 16 16 LEU H H 16 7.765 8.216 -0.451 1
1 151 . 3 1 1 A 16 16 LEU HA H 16 4.240 4.559 -0.319 1
1 161 . 3 1 1 A 16 16 LEU CA C 16 57.674 58.753 -1.079 1
1 162 . 3 1 1 A 16 16 LEU CB C 16 42.122 42.098 0.024 1
1 166 . 3 1 1 A 16 16 LEU N N 16 123.064 120.365 2.699 1
1 167 . 3 1 1 A 17 17 ARG H H 17 8.627 8.081 0.546 1
1 168 . 3 1 1 A 17 17 ARG HA H 17 3.595 3.900 -0.305 1
1 175 . 3 1 1 A 17 17 ARG CA C 17 60.573 58.978 1.595 1
1 176 . 3 1 1 A 17 17 ARG CB C 17 29.679 30.294 -0.615 1
1 179 . 3 1 1 A 17 17 ARG N N 17 121.878 118.337 3.541 1
1 180 . 3 1 1 A 18 18 GLU H H 18 8.665 8.706 -0.041 1
1 181 . 3 1 1 A 18 18 GLU HA H 18 3.952 4.033 -0.081 1
1 186 . 3 1 1 A 18 18 GLU CA C 18 59.654 59.521 0.133 1
1 187 . 3 1 1 A 18 18 GLU CB C 18 29.301 29.642 -0.341 1
1 189 . 3 1 1 A 18 18 GLU N N 18 123.257 119.592 3.665 1
1 190 . 3 1 1 A 19 19 PHE H H 19 8.026 8.515 -0.489 1
1 191 . 3 1 1 A 19 19 PHE HA H 19 4.258 4.365 -0.107 1
1 195 . 3 1 1 A 19 19 PHE CA C 19 61.640 60.263 1.377 1
1 196 . 3 1 1 A 19 19 PHE CB C 19 39.547 37.931 1.616 1
1 198 . 3 1 1 A 19 19 PHE N N 19 123.888 117.702 6.186 1
1 199 . 3 1 1 A 20 20 VAL H H 20 8.734 7.449 1.285 1
1 200 . 3 1 1 A 20 20 VAL HA H 20 3.336 3.318 0.018 1
1 208 . 3 1 1 A 20 20 VAL CA C 20 67.245 66.176 1.069 1
1 209 . 3 1 1 A 20 20 VAL CB C 20 31.965 31.360 0.605 1
1 212 . 3 1 1 A 20 20 VAL N N 20 119.762 120.055 -0.293 1
1 213 . 3 1 1 A 21 21 THR H H 21 8.213 8.108 0.105 1
1 214 . 3 1 1 A 21 21 THR HA H 21 3.615 3.967 -0.352 1
1 218 . 3 1 1 A 21 21 THR CA C 21 67.657 66.225 1.432 1
1 219 . 3 1 1 A 21 21 THR CB C 21 68.697 68.240 0.457 1
1 221 . 3 1 1 A 21 21 THR N N 21 117.446 115.246 2.200 1
1 222 . 3 1 1 A 22 22 ALA H H 22 8.050 8.365 -0.315 1
1 223 . 3 1 1 A 22 22 ALA HA H 22 4.084 4.008 0.076 1
1 227 . 3 1 1 A 22 22 ALA CA C 22 54.998 55.599 -0.601 1
1 228 . 3 1 1 A 22 22 ALA CB C 22 17.880 18.396 -0.516 1
1 229 . 3 1 1 A 22 22 ALA N N 22 125.291 123.293 1.998 1
1 230 . 3 1 1 A 23 23 LYS H H 23 7.868 7.706 0.162 1
1 231 . 3 1 1 A 23 23 LYS HA H 23 3.886 4.052 -0.166 1
1 240 . 3 1 1 A 23 23 LYS CA C 23 57.286 59.142 -1.856 1
1 241 . 3 1 1 A 23 23 LYS CB C 23 30.651 32.718 -2.067 1
1 245 . 3 1 1 A 23 23 LYS N N 23 119.332 117.865 1.467 1
1 246 . 3 1 1 A 24 24 PHE H H 24 8.369 8.313 0.056 1
1 247 . 3 1 1 A 24 24 PHE HA H 24 3.805 4.365 -0.560 1
1 252 . 3 1 1 A 24 24 PHE CA C 24 62.055 60.322 1.733 1
1 253 . 3 1 1 A 24 24 PHE CB C 24 38.744 38.860 -0.116 1
1 256 . 3 1 1 A 24 24 PHE N N 24 119.142 118.553 0.589 1
1 257 . 3 1 1 A 25 25 ALA H H 25 7.879 8.593 -0.714 1
1 258 . 3 1 1 A 25 25 ALA HA H 25 4.140 4.137 0.003 1
1 262 . 3 1 1 A 25 25 ALA CA C 25 55.014 55.392 -0.378 1
1 263 . 3 1 1 A 25 25 ALA CB C 25 17.773 18.303 -0.530 1
1 264 . 3 1 1 A 25 25 ALA N N 25 123.500 121.701 1.799 1
1 265 . 3 1 1 A 26 26 LYS H H 26 7.217 7.552 -0.335 1
1 266 . 3 1 1 A 26 26 LYS HA H 26 4.024 3.869 0.155 1
1 275 . 3 1 1 A 26 26 LYS CA C 26 58.189 58.909 -0.720 1
1 276 . 3 1 1 A 26 26 LYS CB C 26 32.033 32.020 0.013 1
1 280 . 3 1 1 A 26 26 LYS N N 26 118.541 118.560 -0.019 1
1 281 . 3 1 1 A 27 27 LEU H H 27 7.773 7.784 -0.011 1
1 282 . 3 1 1 A 27 27 LEU HA H 27 4.257 3.552 0.705 1
1 292 . 3 1 1 A 27 27 LEU CA C 27 55.889 56.313 -0.424 1
1 293 . 3 1 1 A 27 27 LEU CB C 27 41.083 41.841 -0.758 1
1 297 . 3 1 1 A 27 27 LEU N N 27 118.340 119.533 -1.193 1
1 298 . 3 1 1 A 28 28 GLU H H 28 7.296 8.301 -1.005 1
1 299 . 3 1 1 A 28 28 GLU HA H 28 3.489 4.204 -0.715 1
1 304 . 3 1 1 A 28 28 GLU CA C 28 58.336 58.624 -0.288 1
1 305 . 3 1 1 A 28 28 GLU CB C 28 29.265 29.787 -0.522 1
1 307 . 3 1 1 A 28 28 GLU N N 28 119.557 120.381 -0.824 1
1 308 . 3 1 1 A 29 29 GLN H H 29 7.783 7.654 0.129 1
1 309 . 3 1 1 A 29 29 GLN HA H 29 3.923 3.976 -0.053 1
1 314 . 3 1 1 A 29 29 GLN CA C 29 57.387 58.271 -0.884 1
1 315 . 3 1 1 A 29 29 GLN CB C 29 28.082 28.591 -0.509 1
1 317 . 3 1 1 A 29 29 GLN N N 29 117.927 118.633 -0.706 1
1 318 . 3 1 1 A 30 30 TYR H H 30 7.731 6.868 0.863 1
1 319 . 3 1 1 A 30 30 TYR HA H 30 4.433 4.465 -0.032 1
1 324 . 3 1 1 A 30 30 TYR CA C 30 58.371 57.725 0.646 1
1 325 . 3 1 1 A 30 30 TYR CB C 30 39.297 38.432 0.865 1
1 328 . 3 1 1 A 30 30 TYR N N 30 118.639 118.502 0.137 1
1 329 . 3 1 1 A 31 31 PHE H H 31 7.652 7.638 0.014 1
1 330 . 3 1 1 A 31 31 PHE HA H 31 4.605 5.016 -0.411 1
1 334 . 3 1 1 A 31 31 PHE CA C 31 58.507 57.129 1.378 1
1 335 . 3 1 1 A 31 31 PHE CB C 31 40.438 40.682 -0.244 1
1 337 . 3 1 1 A 31 31 PHE N N 31 119.753 119.778 -0.025 1
1 338 . 3 1 1 A 32 32 ASP H H 32 8.087 8.750 -0.663 1
1 339 . 3 1 1 A 32 32 ASP HA H 32 4.465 4.852 -0.387 1
1 342 . 3 1 1 A 32 32 ASP CA C 32 55.094 54.213 0.881 1
1 343 . 3 1 1 A 32 32 ASP CB C 32 40.511 42.198 -1.687 1
1 344 . 3 1 1 A 32 32 ASP N N 32 121.865 122.430 -0.565 1
1 345 . 3 1 1 A 33 33 ARG H H 33 7.083 7.851 -0.768 1
1 346 . 3 1 1 A 33 33 ARG HA H 33 4.412 4.599 -0.187 1
1 353 . 3 1 1 A 33 33 ARG CA C 33 55.082 55.649 -0.567 1
1 354 . 3 1 1 A 33 33 ARG CB C 33 30.409 28.813 1.596 1
1 357 . 3 1 1 A 33 33 ARG N N 33 119.603 118.201 1.402 1
1 358 . 3 1 1 A 34 34 ILE H H 34 8.139 8.090 0.049 1
1 359 . 3 1 1 A 34 34 ILE HA H 34 4.051 4.888 -0.837 1
1 369 . 3 1 1 A 34 34 ILE CA C 34 61.543 60.639 0.904 1
1 370 . 3 1 1 A 34 34 ILE CB C 34 39.510 41.631 -2.121 1
1 374 . 3 1 1 A 34 34 ILE N N 34 123.576 124.376 -0.800 1
1 375 . 3 1 1 A 35 35 ASN H H 35 8.560 8.758 -0.198 1
1 376 . 3 1 1 A 35 35 ASN HA H 35 4.870 4.920 -0.050 1
1 379 . 3 1 1 A 35 35 ASN CA C 35 53.877 54.114 -0.237 1
1 380 . 3 1 1 A 35 35 ASN CB C 35 38.806 39.389 -0.583 1
1 381 . 3 1 1 A 35 35 ASN N N 35 126.934 121.746 5.188 1
1 382 . 3 1 1 A 36 36 GLN H H 36 7.843 7.970 -0.127 1
1 383 . 3 1 1 A 36 36 GLN HA H 36 4.519 4.946 -0.427 1
1 388 . 3 1 1 A 36 36 GLN CA C 36 56.345 54.481 1.864 1
1 389 . 3 1 1 A 36 36 GLN CB C 36 31.240 31.651 -0.411 1
1 391 . 3 1 1 A 36 36 GLN N N 36 120.673 118.412 2.261 1
1 392 . 3 1 1 A 37 37 VAL H H 37 8.330 8.755 -0.425 1
1 393 . 3 1 1 A 37 37 VAL HA H 37 4.693 4.965 -0.272 1
1 401 . 3 1 1 A 37 37 VAL CA C 37 60.789 60.066 0.723 1
1 402 . 3 1 1 A 37 37 VAL CB C 37 34.740 34.507 0.233 1
1 405 . 3 1 1 A 37 37 VAL N N 37 123.403 121.482 1.921 1
1 406 . 3 1 1 A 38 38 TYR H H 38 8.943 8.074 0.869 1
1 407 . 3 1 1 A 38 38 TYR HA H 38 5.039 6.061 -1.022 1
1 412 . 3 1 1 A 38 38 TYR CA C 38 57.028 55.333 1.695 1
1 413 . 3 1 1 A 38 38 TYR CB C 38 39.705 42.638 -2.933 1
1 416 . 3 1 1 A 38 38 TYR N N 38 129.202 120.446 8.756 1
1 417 . 3 1 1 A 39 39 VAL H H 39 9.053 8.488 0.565 1
1 418 . 3 1 1 A 39 39 VAL HA H 39 5.048 4.961 0.087 1
1 426 . 3 1 1 A 39 39 VAL CA C 39 60.685 60.464 0.221 1
1 427 . 3 1 1 A 39 39 VAL CB C 39 34.107 35.947 -1.840 1
1 430 . 3 1 1 A 39 39 VAL N N 39 127.771 121.279 6.492 1
1 431 . 3 1 1 A 40 40 VAL H H 40 9.276 8.577 0.699 1
1 432 . 3 1 1 A 40 40 VAL HA H 40 4.862 5.266 -0.404 1
1 440 . 3 1 1 A 40 40 VAL CA C 40 60.896 60.968 -0.072 1
1 441 . 3 1 1 A 40 40 VAL CB C 40 34.411 35.627 -1.216 1
1 444 . 3 1 1 A 40 40 VAL N N 40 130.939 126.218 4.721 1
1 445 . 3 1 1 A 41 41 LEU H H 41 8.714 8.869 -0.155 1
1 446 . 3 1 1 A 41 41 LEU HA H 41 5.111 5.565 -0.454 1
1 456 . 3 1 1 A 41 41 LEU CA C 41 53.150 53.025 0.125 1
1 457 . 3 1 1 A 41 41 LEU CB C 41 42.538 45.201 -2.663 1
1 461 . 3 1 1 A 41 41 LEU N N 41 130.200 125.322 4.878 1
1 462 . 3 1 1 A 42 42 LYS H H 42 8.955 9.744 -0.789 1
1 463 . 3 1 1 A 42 42 LYS HA H 42 5.180 5.499 -0.319 1
1 472 . 3 1 1 A 42 42 LYS CA C 42 55.017 54.787 0.230 1
1 473 . 3 1 1 A 42 42 LYS CB C 42 36.649 34.376 2.273 1
1 477 . 3 1 1 A 42 42 LYS N N 42 124.155 123.603 0.552 1
1 478 . 3 1 1 A 43 43 VAL H H 43 7.515 8.676 -1.161 1
1 479 . 3 1 1 A 43 43 VAL HA H 43 4.360 4.600 -0.240 1
1 487 . 3 1 1 A 43 43 VAL CA C 43 61.230 61.251 -0.021 1
1 488 . 3 1 1 A 43 43 VAL CB C 43 33.656 33.009 0.647 1
1 491 . 3 1 1 A 43 43 VAL N N 43 124.332 125.500 -1.168 1
1 492 . 3 1 1 A 44 44 GLU H H 44 8.092 8.396 -0.304 1
1 493 . 3 1 1 A 44 44 GLU HA H 44 4.368 4.825 -0.457 1
1 498 . 3 1 1 A 44 44 GLU CA C 44 55.445 54.364 1.081 1
1 499 . 3 1 1 A 44 44 GLU CB C 44 31.404 33.387 -1.983 1
1 501 . 3 1 1 A 44 44 GLU N N 44 130.594 125.243 5.351 1
1 502 . 3 1 1 A 45 45 LYS H H 45 8.982 8.738 0.244 1
1 503 . 3 1 1 A 45 45 LYS HA H 45 3.695 3.912 -0.217 1
1 512 . 3 1 1 A 45 45 LYS CA C 45 59.588 58.771 0.817 1
1 513 . 3 1 1 A 45 45 LYS CB C 45 30.077 32.161 -2.084 1
1 517 . 3 1 1 A 45 45 LYS N N 45 125.587 120.979 4.608 1
1 518 . 3 1 1 A 46 46 VAL H H 46 7.710 7.429 0.281 1
1 519 . 3 1 1 A 46 46 VAL HA H 46 4.346 3.981 0.365 1
1 527 . 3 1 1 A 46 46 VAL CA C 46 61.342 64.660 -3.318 1
1 528 . 3 1 1 A 46 46 VAL CB C 46 31.917 31.938 -0.021 1
1 531 . 3 1 1 A 46 46 VAL N N 46 115.763 118.071 -2.308 1
1 532 . 3 1 1 A 47 47 THR H H 47 8.151 7.741 0.410 1
1 533 . 3 1 1 A 47 47 THR HA H 47 4.397 5.309 -0.912 1
1 538 . 3 1 1 A 47 47 THR CA C 47 63.072 61.150 1.922 1
1 539 . 3 1 1 A 47 47 THR CB C 47 69.615 72.204 -2.589 1
1 541 . 3 1 1 A 47 47 THR N N 47 120.888 111.879 9.009 1
1 542 . 3 1 1 A 48 48 HIS H H 48 8.753 9.214 -0.461 1
1 543 . 3 1 1 A 48 48 HIS HA H 48 4.826 5.286 -0.460 1
1 547 . 3 1 1 A 48 48 HIS CA C 48 55.978 54.999 0.979 1
1 548 . 3 1 1 A 48 48 HIS CB C 48 30.476 30.737 -0.261 1
1 550 . 3 1 1 A 48 48 HIS N N 48 130.755 123.159 7.596 1
1 551 . 3 1 1 A 49 49 THR H H 49 9.136 8.453 0.683 1
1 552 . 3 1 1 A 49 49 THR HA H 49 5.245 5.136 0.109 1
1 557 . 3 1 1 A 49 49 THR CA C 49 60.941 61.241 -0.300 1
1 558 . 3 1 1 A 49 49 THR CB C 49 71.411 71.944 -0.533 1
1 560 . 3 1 1 A 49 49 THR N N 49 118.522 118.012 0.510 1
1 561 . 3 1 1 A 50 50 SER H H 50 9.050 8.675 0.375 1
1 562 . 3 1 1 A 50 50 SER HA H 50 5.348 5.552 -0.204 1
1 565 . 3 1 1 A 50 50 SER CA C 50 55.645 57.257 -1.612 1
1 566 . 3 1 1 A 50 50 SER CB C 50 66.579 66.165 0.414 1
1 567 . 3 1 1 A 50 50 SER N N 50 119.749 119.489 0.260 1
1 568 . 3 1 1 A 51 51 ASP H H 51 8.843 9.708 -0.865 1
1 569 . 3 1 1 A 51 51 ASP HA H 51 5.363 5.721 -0.358 1
1 572 . 3 1 1 A 51 51 ASP CA C 51 52.879 52.244 0.635 1
1 573 . 3 1 1 A 51 51 ASP CB C 51 45.173 44.268 0.905 1
1 574 . 3 1 1 A 51 51 ASP N N 51 126.330 123.098 3.232 1
1 575 . 3 1 1 A 52 52 ALA H H 52 8.938 9.506 -0.568 1
1 576 . 3 1 1 A 52 52 ALA HA H 52 5.777 5.092 0.685 1
1 580 . 3 1 1 A 52 52 ALA CA C 52 50.806 51.116 -0.310 1
1 581 . 3 1 1 A 52 52 ALA CB C 52 24.676 21.325 3.351 1
1 582 . 3 1 1 A 52 52 ALA N N 52 122.789 122.195 0.594 1
1 583 . 3 1 1 A 53 53 THR H H 53 8.666 8.748 -0.082 1
1 584 . 3 1 1 A 53 53 THR HA H 53 4.979 4.712 0.267 1
1 589 . 3 1 1 A 53 53 THR CA C 53 62.026 61.453 0.573 1
1 590 . 3 1 1 A 53 53 THR CB C 53 70.850 68.685 2.165 1
1 592 . 3 1 1 A 53 53 THR N N 53 118.344 118.347 -0.003 1
1 593 . 3 1 1 A 54 54 LEU H H 54 9.662 8.757 0.905 1
1 594 . 3 1 1 A 54 54 LEU HA H 54 4.921 5.029 -0.108 1
1 604 . 3 1 1 A 54 54 LEU CA C 54 53.923 53.924 -0.001 1
1 605 . 3 1 1 A 54 54 LEU CB C 54 43.782 43.894 -0.112 1
1 609 . 3 1 1 A 54 54 LEU N N 54 129.166 127.472 1.694 1
1 610 . 3 1 1 A 55 55 HIS H H 55 8.956 9.181 -0.225 1
1 611 . 3 1 1 A 55 55 HIS HA H 55 4.882 5.215 -0.333 1
1 615 . 3 1 1 A 55 55 HIS CA C 55 56.326 54.855 1.471 1
1 616 . 3 1 1 A 55 55 HIS CB C 55 30.431 32.193 -1.762 1
1 618 . 3 1 1 A 55 55 HIS N N 55 126.094 121.787 4.307 1
1 619 . 3 1 1 A 56 56 VAL H H 56 8.151 9.082 -0.931 1
1 620 . 3 1 1 A 56 56 VAL HA H 56 4.856 4.619 0.237 1
1 628 . 3 1 1 A 56 56 VAL CA C 56 58.734 59.837 -1.103 1
1 629 . 3 1 1 A 56 56 VAL CB C 56 34.523 35.467 -0.944 1
1 632 . 3 1 1 A 56 56 VAL N N 56 120.242 121.236 -0.994 1
1 633 . 3 1 1 A 57 57 ASN H H 57 8.970 8.851 0.119 1
1 634 . 3 1 1 A 57 57 ASN HA H 57 4.463 4.320 0.143 1
1 637 . 3 1 1 A 57 57 ASN CA C 57 54.963 55.023 -0.060 1
1 638 . 3 1 1 A 57 57 ASN CB C 57 37.481 37.701 -0.220 1
1 639 . 3 1 1 A 57 57 ASN N N 57 124.652 123.823 0.829 1
1 640 . 3 1 1 A 58 58 GLY H H 58 8.868 8.661 0.207 1
1 641 . 3 1 1 A 58 58 GLY HA2 H 58 3.814 4.023 -0.209 1
1 642 . 3 1 1 A 58 58 GLY HA3 H 58 4.152 4.030 0.122 1
1 643 . 3 1 1 A 58 58 GLY CA C 58 45.606 45.054 0.552 1
1 644 . 3 1 1 A 58 58 GLY N N 58 112.816 112.011 0.805 1
1 645 . 3 1 1 A 59 59 GLY H H 59 7.848 7.699 0.149 1
1 646 . 3 1 1 A 59 59 GLY HA2 H 59 3.978 3.992 -0.014 1
1 647 . 3 1 1 A 59 59 GLY HA3 H 59 4.153 4.045 0.108 1
1 648 . 3 1 1 A 59 59 GLY CA C 59 45.321 44.723 0.598 1
1 649 . 3 1 1 A 59 59 GLY N N 59 109.857 107.570 2.287 1
1 650 . 3 1 1 A 60 60 GLU H H 60 8.262 8.559 -0.297 1
1 651 . 3 1 1 A 60 60 GLU HA H 60 5.110 4.945 0.165 1
1 656 . 3 1 1 A 60 60 GLU CA C 60 54.756 54.871 -0.115 1
1 657 . 3 1 1 A 60 60 GLU CB C 60 32.933 33.125 -0.192 1
1 659 . 3 1 1 A 60 60 GLU N N 60 121.732 121.040 0.692 1
1 660 . 3 1 1 A 61 61 ILE H H 61 8.764 8.608 0.156 1
1 661 . 3 1 1 A 61 61 ILE HA H 61 4.286 4.779 -0.493 1
1 671 . 3 1 1 A 61 61 ILE CA C 61 59.713 60.145 -0.432 1
1 672 . 3 1 1 A 61 61 ILE CB C 61 41.194 39.826 1.368 1
1 676 . 3 1 1 A 61 61 ILE N N 61 124.817 124.291 0.526 1
1 677 . 3 1 1 A 62 62 HIS H H 62 8.907 8.850 0.057 1
1 678 . 3 1 1 A 62 62 HIS HA H 62 5.743 5.207 0.536 1
1 682 . 3 1 1 A 62 62 HIS CA C 62 54.009 53.577 0.432 1
1 683 . 3 1 1 A 62 62 HIS CB C 62 32.365 33.103 -0.738 1
1 685 . 3 1 1 A 62 62 HIS N N 62 127.338 126.876 0.462 1
1 686 . 3 1 1 A 63 63 ALA H H 63 8.298 9.190 -0.892 1
1 687 . 3 1 1 A 63 63 ALA HA H 63 4.480 5.333 -0.853 1
1 691 . 3 1 1 A 63 63 ALA CA C 63 51.764 50.594 1.170 1
1 692 . 3 1 1 A 63 63 ALA CB C 63 23.678 23.725 -0.047 1
1 693 . 3 1 1 A 63 63 ALA N N 63 125.511 130.347 -4.836 1
1 694 . 3 1 1 A 64 64 SER H H 64 8.070 8.798 -0.728 1
1 695 . 3 1 1 A 64 64 SER HA H 64 5.286 5.386 -0.100 1
1 698 . 3 1 1 A 64 64 SER CA C 64 56.782 57.160 -0.378 1
1 699 . 3 1 1 A 64 64 SER CB C 64 65.895 66.104 -0.209 1
1 700 . 3 1 1 A 64 64 SER N N 64 114.469 114.700 -0.231 1
1 701 . 3 1 1 A 65 65 ALA H H 65 8.904 8.960 -0.056 1
1 702 . 3 1 1 A 65 65 ALA HA H 65 4.669 5.143 -0.474 1
1 706 . 3 1 1 A 65 65 ALA CA C 65 51.753 50.996 0.757 1
1 707 . 3 1 1 A 65 65 ALA CB C 65 22.599 24.424 -1.825 1
1 708 . 3 1 1 A 65 65 ALA N N 65 126.977 124.560 2.417 1
1 709 . 3 1 1 A 66 66 GLU H H 66 8.200 8.557 -0.357 1
1 710 . 3 1 1 A 66 66 GLU HA H 66 5.680 5.303 0.377 1
1 715 . 3 1 1 A 66 66 GLU CA C 66 53.650 54.829 -1.179 1
1 716 . 3 1 1 A 66 66 GLU CB C 66 33.741 34.494 -0.753 1
1 718 . 3 1 1 A 66 66 GLU N N 66 119.267 117.544 1.723 1
1 719 . 3 1 1 A 67 67 GLY H H 67 8.836 7.911 0.925 1
1 720 . 3 1 1 A 67 67 GLY HA2 H 67 4.490 4.245 0.245 1
1 721 . 3 1 1 A 67 67 GLY HA3 H 67 3.728 4.250 -0.522 1
1 722 . 3 1 1 A 67 67 GLY CA C 67 45.157 45.263 -0.106 1
1 723 . 3 1 1 A 67 67 GLY N N 67 108.048 108.320 -0.272 1
1 724 . 3 1 1 A 68 68 GLN H H 68 8.997 8.668 0.329 1
1 725 . 3 1 1 A 68 68 GLN HA H 68 4.440 3.959 0.481 1
1 730 . 3 1 1 A 68 68 GLN CA C 68 56.996 57.772 -0.776 1
1 731 . 3 1 1 A 68 68 GLN CB C 68 28.694 28.995 -0.301 1
1 733 . 3 1 1 A 68 68 GLN N N 68 119.961 119.552 0.409 1
1 734 . 3 1 1 A 69 69 ASP H H 69 7.542 7.378 0.164 1
1 735 . 3 1 1 A 69 69 ASP HA H 69 3.242 4.169 -0.927 1
1 738 . 3 1 1 A 69 69 ASP CA C 69 51.838 52.663 -0.825 1
1 739 . 3 1 1 A 69 69 ASP CB C 69 42.829 42.317 0.512 1
1 740 . 3 1 1 A 69 69 ASP N N 69 115.279 114.403 0.876 1
1 741 . 3 1 1 A 70 70 MET H H 70 8.409 8.750 -0.341 1
1 742 . 3 1 1 A 70 70 MET HA H 70 4.200 4.281 -0.081 1
1 747 . 3 1 1 A 70 70 MET CA C 70 56.505 58.984 -2.479 1
1 748 . 3 1 1 A 70 70 MET CB C 70 31.533 31.929 -0.396 1
1 750 . 3 1 1 A 70 70 MET N N 70 120.495 118.517 1.978 1
1 751 . 3 1 1 A 71 71 TYR H H 71 7.304 7.780 -0.476 1
1 752 . 3 1 1 A 71 71 TYR HA H 71 3.832 4.202 -0.370 1
1 757 . 3 1 1 A 71 71 TYR CA C 71 60.141 61.336 -1.195 1
1 758 . 3 1 1 A 71 71 TYR CB C 71 35.788 36.996 -1.208 1
1 761 . 3 1 1 A 71 71 TYR N N 71 120.024 118.478 1.546 1
1 762 . 3 1 1 A 72 72 ALA H H 72 8.474 8.542 -0.068 1
1 763 . 3 1 1 A 72 72 ALA HA H 72 4.213 3.982 0.231 1
1 767 . 3 1 1 A 72 72 ALA CA C 72 54.526 55.195 -0.669 1
1 768 . 3 1 1 A 72 72 ALA CB C 72 18.884 18.376 0.508 1
1 769 . 3 1 1 A 72 72 ALA N N 72 123.384 122.270 1.114 1
1 770 . 3 1 1 A 73 73 ALA H H 73 7.595 7.982 -0.387 1
1 771 . 3 1 1 A 73 73 ALA HA H 73 3.731 4.156 -0.425 1
1 775 . 3 1 1 A 73 73 ALA CA C 73 55.647 54.580 1.067 1
1 776 . 3 1 1 A 73 73 ALA CB C 73 17.460 18.512 -1.052 1
1 777 . 3 1 1 A 73 73 ALA N N 73 123.415 120.378 3.037 1
1 778 . 3 1 1 A 74 74 ILE H H 74 7.958 7.505 0.453 1
1 779 . 3 1 1 A 74 74 ILE HA H 74 3.692 3.881 -0.189 1
1 789 . 3 1 1 A 74 74 ILE CA C 74 63.902 64.782 -0.880 1
1 790 . 3 1 1 A 74 74 ILE CB C 74 37.010 37.295 -0.285 1
1 794 . 3 1 1 A 74 74 ILE N N 74 119.834 119.162 0.672 1
1 795 . 3 1 1 A 75 75 ASP H H 75 8.468 8.627 -0.159 1
1 796 . 3 1 1 A 75 75 ASP HA H 75 4.282 4.436 -0.154 1
1 799 . 3 1 1 A 75 75 ASP CA C 75 58.107 57.387 0.720 1
1 800 . 3 1 1 A 75 75 ASP CB C 75 40.628 40.431 0.197 1
1 801 . 3 1 1 A 75 75 ASP N N 75 122.091 122.582 -0.491 1
1 802 . 3 1 1 A 76 76 GLY H H 76 8.041 8.065 -0.024 1
1 803 . 3 1 1 A 76 76 GLY HA2 H 76 3.845 3.711 0.134 1
1 804 . 3 1 1 A 76 76 GLY HA3 H 76 3.863 3.713 0.150 1
1 805 . 3 1 1 A 76 76 GLY CA C 76 46.668 47.397 -0.729 1
1 806 . 3 1 1 A 76 76 GLY N N 76 108.081 108.208 -0.127 1
1 807 . 3 1 1 A 77 77 LEU H H 77 8.088 7.894 0.194 1
1 808 . 3 1 1 A 77 77 LEU HA H 77 3.709 4.227 -0.518 1
1 818 . 3 1 1 A 77 77 LEU CA C 77 57.865 57.391 0.474 1
1 819 . 3 1 1 A 77 77 LEU CB C 77 41.828 41.782 0.046 1
1 823 . 3 1 1 A 77 77 LEU N N 77 126.711 122.946 3.765 1
1 824 . 3 1 1 A 78 78 ILE H H 78 8.155 8.537 -0.382 1
1 825 . 3 1 1 A 78 78 ILE HA H 78 3.316 3.962 -0.646 1
1 835 . 3 1 1 A 78 78 ILE CA C 78 62.813 62.993 -0.180 1
1 836 . 3 1 1 A 78 78 ILE CB C 78 34.810 37.728 -2.918 1
1 840 . 3 1 1 A 78 78 ILE N N 78 120.409 119.025 1.384 1
1 841 . 3 1 1 A 79 79 ASP H H 79 7.408 7.833 -0.425 1
1 842 . 3 1 1 A 79 79 ASP HA H 79 4.274 4.344 -0.070 1
1 845 . 3 1 1 A 79 79 ASP CA C 79 57.605 57.339 0.266 1
1 846 . 3 1 1 A 79 79 ASP CB C 79 41.017 41.171 -0.154 1
1 847 . 3 1 1 A 79 79 ASP N N 79 120.497 121.853 -1.356 1
1 848 . 3 1 1 A 80 80 LYS H H 80 7.536 7.699 -0.163 1
1 849 . 3 1 1 A 80 80 LYS HA H 80 3.931 4.000 -0.069 1
1 858 . 3 1 1 A 80 80 LYS CA C 80 59.952 59.649 0.303 1
1 859 . 3 1 1 A 80 80 LYS CB C 80 33.221 32.458 0.763 1
1 863 . 3 1 1 A 80 80 LYS N N 80 119.684 118.327 1.357 1
1 864 . 3 1 1 A 81 81 LEU H H 81 8.473 8.081 0.392 1
1 865 . 3 1 1 A 81 81 LEU HA H 81 3.765 3.969 -0.204 1
1 875 . 3 1 1 A 81 81 LEU CA C 81 57.564 57.756 -0.192 1
1 876 . 3 1 1 A 81 81 LEU CB C 81 42.473 41.941 0.532 1
1 880 . 3 1 1 A 81 81 LEU N N 81 121.519 120.233 1.286 1
1 881 . 3 1 1 A 82 82 ALA H H 82 8.682 8.196 0.486 1
1 882 . 3 1 1 A 82 82 ALA HA H 82 3.479 4.359 -0.880 1
1 886 . 3 1 1 A 82 82 ALA CA C 82 55.731 55.742 -0.011 1
1 887 . 3 1 1 A 82 82 ALA CB C 82 17.388 18.444 -1.056 1
1 888 . 3 1 1 A 82 82 ALA N N 82 123.814 120.625 3.189 1
1 889 . 3 1 1 A 83 83 ARG H H 83 7.329 7.894 -0.565 1
1 890 . 3 1 1 A 83 83 ARG HA H 83 3.981 4.075 -0.094 1
1 897 . 3 1 1 A 83 83 ARG CA C 83 59.137 59.706 -0.569 1
1 898 . 3 1 1 A 83 83 ARG CB C 83 29.971 30.077 -0.106 1
1 901 . 3 1 1 A 83 83 ARG N N 83 118.219 117.632 0.587 1
1 902 . 3 1 1 A 84 84 GLN H H 84 7.750 7.550 0.200 1
1 903 . 3 1 1 A 84 84 GLN HA H 84 4.047 4.099 -0.052 1
1 906 . 3 1 1 A 84 84 GLN CA C 84 58.685 58.366 0.319 1
1 907 . 3 1 1 A 84 84 GLN CB C 84 29.903 28.488 1.415 1
1 909 . 3 1 1 A 84 84 GLN N N 84 119.887 119.318 0.569 1
1 910 . 3 1 1 A 85 85 LEU H H 85 8.610 8.399 0.211 1
1 911 . 3 1 1 A 85 85 LEU HA H 85 3.788 3.625 0.163 1
1 920 . 3 1 1 A 85 85 LEU CA C 85 57.600 57.412 0.188 1
1 921 . 3 1 1 A 85 85 LEU CB C 85 41.178 40.852 0.326 1
1 925 . 3 1 1 A 85 85 LEU N N 85 122.951 119.926 3.025 1
1 926 . 3 1 1 A 86 86 THR H H 86 7.709 8.296 -0.587 1
1 927 . 3 1 1 A 86 86 THR HA H 86 4.056 4.034 0.022 1
1 932 . 3 1 1 A 86 86 THR CA C 86 65.924 67.159 -1.235 1
1 933 . 3 1 1 A 86 86 THR CB C 86 68.870 67.859 1.011 1
1 935 . 3 1 1 A 86 86 THR N N 86 116.282 116.019 0.263 1
1 936 . 3 1 1 A 87 87 LYS H H 87 7.457 7.625 -0.168 1
1 937 . 3 1 1 A 87 87 LYS HA H 87 4.102 3.865 0.237 1
1 946 . 3 1 1 A 87 87 LYS CA C 87 58.289 59.556 -1.267 1
1 947 . 3 1 1 A 87 87 LYS CB C 87 32.293 32.125 0.168 1
1 951 . 3 1 1 A 87 87 LYS N N 87 122.670 120.118 2.552 1
1 952 . 3 1 1 A 88 88 HIS H H 88 7.928 8.072 -0.144 1
1 953 . 3 1 1 A 88 88 HIS HA H 88 4.301 4.262 0.039 1
1 957 . 3 1 1 A 88 88 HIS CA C 88 58.361 58.995 -0.634 1
1 958 . 3 1 1 A 88 88 HIS CB C 88 30.766 28.504 2.262 1
1 960 . 3 1 1 A 88 88 HIS N N 88 121.382 116.935 4.447 1
1 961 . 3 1 1 A 89 89 LYS H H 89 7.928 7.592 0.336 1
1 962 . 3 1 1 A 89 89 LYS HA H 89 3.934 4.028 -0.094 1
1 971 . 3 1 1 A 89 89 LYS CA C 89 58.568 58.309 0.259 1
1 972 . 3 1 1 A 89 89 LYS CB C 89 32.489 31.065 1.424 1
1 976 . 3 1 1 A 89 89 LYS N N 89 121.821 118.566 3.255 1
1 977 . 3 1 1 A 90 90 ASP H H 90 8.143 7.772 0.371 1
1 978 . 3 1 1 A 90 90 ASP HA H 90 4.445 4.371 0.074 1
1 981 . 3 1 1 A 90 90 ASP CA C 90 55.869 57.137 -1.268 1
1 982 . 3 1 1 A 90 90 ASP CB C 90 40.715 40.768 -0.053 1
1 983 . 3 1 1 A 90 90 ASP N N 90 121.199 119.677 1.522 1
1 984 . 3 1 1 A 91 91 LYS H H 91 7.867 7.587 0.280 1
1 985 . 3 1 1 A 91 91 LYS HA H 91 4.130 4.047 0.083 1
1 994 . 3 1 1 A 91 91 LYS CA C 91 57.421 59.487 -2.066 1
1 995 . 3 1 1 A 91 91 LYS CB C 91 32.365 32.359 0.006 1
1 999 . 3 1 1 A 91 91 LYS N N 91 121.976 120.038 1.938 1
1 1000 . 3 1 1 A 92 92 LEU H H 92 7.709 7.458 0.251 1
1 1001 . 3 1 1 A 92 92 LEU HA H 92 4.171 4.491 -0.320 1
1 1011 . 3 1 1 A 92 92 LEU CA C 92 55.449 54.285 1.164 1
1 1012 . 3 1 1 A 92 92 LEU CB C 92 41.871 39.719 2.152 1
1 1016 . 3 1 1 A 92 92 LEU N N 92 121.802 119.942 1.860 1
1 1017 . 3 1 1 A 93 93 LYS H H 93 7.751 8.046 -0.295 1
1 1018 . 3 1 1 A 93 93 LYS HA H 93 4.197 4.626 -0.429 1
1 1027 . 3 1 1 A 93 93 LYS CA C 93 56.420 55.044 1.376 1
1 1028 . 3 1 1 A 93 93 LYS CB C 93 32.792 32.946 -0.154 1
1 1032 . 3 1 1 A 93 93 LYS N N 93 121.954 121.646 0.308 1
1 1033 . 3 1 1 A 94 94 GLN H H 94 8.129 8.482 -0.353 1
1 1034 . 3 1 1 A 94 94 GLN HA H 94 4.208 4.334 -0.126 1
1 1039 . 3 1 1 A 94 94 GLN CA C 94 55.891 55.989 -0.098 1
1 1040 . 3 1 1 A 94 94 GLN CB C 94 29.236 28.099 1.137 1
1 1042 . 3 1 1 A 94 94 GLN N N 94 123.165 121.105 2.060 1
1 1 . 4 1 1 A 2 2 GLN H H 2 7.809 8.514 -0.705 1
1 2 . 4 1 1 A 2 2 GLN HA H 2 4.394 4.600 -0.206 1
1 7 . 4 1 1 A 2 2 GLN CA C 2 55.124 54.503 0.621 1
1 8 . 4 1 1 A 2 2 GLN CB C 2 30.385 28.230 2.155 1
1 10 . 4 1 1 A 2 2 GLN N N 2 126.586 124.017 2.569 1
1 11 . 4 1 1 A 3 3 LEU H H 3 8.598 8.578 0.020 1
1 12 . 4 1 1 A 3 3 LEU HA H 3 4.380 5.251 -0.871 1
1 22 . 4 1 1 A 3 3 LEU CA C 3 54.590 52.552 2.038 1
1 23 . 4 1 1 A 3 3 LEU CB C 3 43.701 45.677 -1.976 1
1 27 . 4 1 1 A 3 3 LEU N N 3 128.942 119.102 9.840 1
1 28 . 4 1 1 A 4 4 ASN H H 4 8.227 8.611 -0.384 1
1 29 . 4 1 1 A 4 4 ASN HA H 4 4.864 5.352 -0.488 1
1 32 . 4 1 1 A 4 4 ASN CA C 4 52.628 52.081 0.547 1
1 33 . 4 1 1 A 4 4 ASN CB C 4 41.258 42.914 -1.656 1
1 34 . 4 1 1 A 4 4 ASN N N 4 127.137 118.037 9.100 1
1 35 . 4 1 1 A 5 5 ILE H H 5 8.659 8.645 0.014 1
1 36 . 4 1 1 A 5 5 ILE HA H 5 4.901 5.216 -0.315 1
1 46 . 4 1 1 A 5 5 ILE CA C 5 60.288 59.095 1.193 1
1 47 . 4 1 1 A 5 5 ILE CB C 5 40.902 42.124 -1.222 1
1 51 . 4 1 1 A 5 5 ILE N N 5 126.355 117.704 8.651 1
1 52 . 4 1 1 A 6 6 THR H H 6 8.796 8.833 -0.037 1
1 53 . 4 1 1 A 6 6 THR HA H 6 4.654 5.119 -0.465 1
1 58 . 4 1 1 A 6 6 THR CA C 6 60.751 60.002 0.749 1
1 59 . 4 1 1 A 6 6 THR CB C 6 71.993 72.994 -1.001 1
1 61 . 4 1 1 A 6 6 THR N N 6 123.546 116.663 6.883 1
1 62 . 4 1 1 A 7 7 GLY H H 7 8.833 8.627 0.206 1
1 63 . 4 1 1 A 7 7 GLY HA2 H 7 3.764 4.368 -0.604 1
1 64 . 4 1 1 A 7 7 GLY HA3 H 7 5.071 4.375 0.696 1
1 65 . 4 1 1 A 7 7 GLY CA C 7 44.318 44.693 -0.375 1
1 66 . 4 1 1 A 7 7 GLY N N 7 112.240 110.600 1.640 1
1 67 . 4 1 1 A 8 8 ASN H H 8 8.962 8.573 0.389 1
1 68 . 4 1 1 A 8 8 ASN HA H 8 4.828 5.213 -0.385 1
1 71 . 4 1 1 A 8 8 ASN CA C 8 52.799 52.479 0.320 1
1 72 . 4 1 1 A 8 8 ASN CB C 8 39.244 39.030 0.214 1
1 73 . 4 1 1 A 8 8 ASN N N 8 124.384 119.898 4.486 1
1 74 . 4 1 1 A 9 9 ASN H H 9 8.756 8.998 -0.242 1
1 75 . 4 1 1 A 9 9 ASN HA H 9 4.248 4.654 -0.406 1
1 78 . 4 1 1 A 9 9 ASN CA C 9 53.998 54.847 -0.849 1
1 79 . 4 1 1 A 9 9 ASN CB C 9 37.231 38.209 -0.978 1
1 80 . 4 1 1 A 9 9 ASN N N 9 120.082 118.402 1.680 1
1 81 . 4 1 1 A 10 10 VAL H H 10 6.825 7.674 -0.849 1
1 82 . 4 1 1 A 10 10 VAL HA H 10 4.097 4.386 -0.289 1
1 90 . 4 1 1 A 10 10 VAL CA C 10 60.425 60.738 -0.313 1
1 91 . 4 1 1 A 10 10 VAL CB C 10 34.765 33.812 0.953 1
1 94 . 4 1 1 A 10 10 VAL N N 10 115.342 121.648 -6.306 1
1 95 . 4 1 1 A 11 11 GLU H H 11 8.347 8.828 -0.481 1
1 96 . 4 1 1 A 11 11 GLU HA H 11 4.174 4.954 -0.780 1
1 101 . 4 1 1 A 11 11 GLU CA C 11 55.442 55.091 0.351 1
1 102 . 4 1 1 A 11 11 GLU CB C 11 30.114 32.395 -2.281 1
1 104 . 4 1 1 A 11 11 GLU N N 11 129.115 123.150 5.965 1
1 105 . 4 1 1 A 12 12 ILE H H 12 8.942 8.561 0.381 1
1 106 . 4 1 1 A 12 12 ILE HA H 12 4.034 4.328 -0.294 1
1 116 . 4 1 1 A 12 12 ILE CA C 12 58.894 61.216 -2.322 1
1 117 . 4 1 1 A 12 12 ILE CB C 12 33.240 37.423 -4.183 1
1 121 . 4 1 1 A 12 12 ILE N N 12 128.622 123.954 4.668 1
1 122 . 4 1 1 A 13 13 THR H H 13 6.818 8.481 -1.663 1
1 123 . 4 1 1 A 13 13 THR HA H 13 4.429 4.918 -0.489 1
1 128 . 4 1 1 A 13 13 THR CA C 13 60.052 59.996 0.056 1
1 129 . 4 1 1 A 13 13 THR CB C 13 70.842 70.959 -0.117 1
1 131 . 4 1 1 A 13 13 THR N N 13 119.687 119.546 0.141 1
1 132 . 4 1 1 A 14 14 GLU H H 14 8.969 8.994 -0.025 1
1 133 . 4 1 1 A 14 14 GLU HA H 14 4.024 3.990 0.034 1
1 138 . 4 1 1 A 14 14 GLU CA C 14 59.794 60.210 -0.416 1
1 139 . 4 1 1 A 14 14 GLU CB C 14 28.845 29.395 -0.550 1
1 141 . 4 1 1 A 14 14 GLU N N 14 123.290 122.730 0.560 1
1 142 . 4 1 1 A 15 15 ALA H H 15 8.334 7.811 0.523 1
1 143 . 4 1 1 A 15 15 ALA HA H 15 4.151 4.168 -0.017 1
1 147 . 4 1 1 A 15 15 ALA CA C 15 55.076 55.275 -0.199 1
1 148 . 4 1 1 A 15 15 ALA CB C 15 18.008 18.546 -0.538 1
1 149 . 4 1 1 A 15 15 ALA N N 15 121.958 122.214 -0.256 1
1 150 . 4 1 1 A 16 16 LEU H H 16 7.765 8.040 -0.275 1
1 151 . 4 1 1 A 16 16 LEU HA H 16 4.240 4.212 0.028 1
1 161 . 4 1 1 A 16 16 LEU CA C 16 57.674 58.511 -0.837 1
1 162 . 4 1 1 A 16 16 LEU CB C 16 42.122 41.822 0.300 1
1 166 . 4 1 1 A 16 16 LEU N N 16 123.064 119.871 3.193 1
1 167 . 4 1 1 A 17 17 ARG H H 17 8.627 8.243 0.384 1
1 168 . 4 1 1 A 17 17 ARG HA H 17 3.595 4.129 -0.534 1
1 175 . 4 1 1 A 17 17 ARG CA C 17 60.573 59.157 1.416 1
1 176 . 4 1 1 A 17 17 ARG CB C 17 29.679 30.211 -0.532 1
1 179 . 4 1 1 A 17 17 ARG N N 17 121.878 118.148 3.730 1
1 180 . 4 1 1 A 18 18 GLU H H 18 8.665 7.993 0.672 1
1 181 . 4 1 1 A 18 18 GLU HA H 18 3.952 4.094 -0.142 1
1 186 . 4 1 1 A 18 18 GLU CA C 18 59.654 59.222 0.432 1
1 187 . 4 1 1 A 18 18 GLU CB C 18 29.301 29.308 -0.007 1
1 189 . 4 1 1 A 18 18 GLU N N 18 123.257 119.683 3.574 1
1 190 . 4 1 1 A 19 19 PHE H H 19 8.026 8.739 -0.713 1
1 191 . 4 1 1 A 19 19 PHE HA H 19 4.258 4.151 0.107 1
1 195 . 4 1 1 A 19 19 PHE CA C 19 61.640 61.173 0.467 1
1 196 . 4 1 1 A 19 19 PHE CB C 19 39.547 39.215 0.332 1
1 198 . 4 1 1 A 19 19 PHE N N 19 123.888 121.545 2.343 1
1 199 . 4 1 1 A 20 20 VAL H H 20 8.734 8.487 0.247 1
1 200 . 4 1 1 A 20 20 VAL HA H 20 3.336 3.753 -0.417 1
1 208 . 4 1 1 A 20 20 VAL CA C 20 67.245 66.739 0.506 1
1 209 . 4 1 1 A 20 20 VAL CB C 20 31.965 31.809 0.156 1
1 212 . 4 1 1 A 20 20 VAL N N 20 119.762 119.014 0.748 1
1 213 . 4 1 1 A 21 21 THR H H 21 8.213 8.209 0.004 1
1 214 . 4 1 1 A 21 21 THR HA H 21 3.615 4.003 -0.388 1
1 218 . 4 1 1 A 21 21 THR CA C 21 67.657 66.413 1.244 1
1 219 . 4 1 1 A 21 21 THR CB C 21 68.697 68.595 0.102 1
1 221 . 4 1 1 A 21 21 THR N N 21 117.446 115.949 1.497 1
1 222 . 4 1 1 A 22 22 ALA H H 22 8.050 8.733 -0.683 1
1 223 . 4 1 1 A 22 22 ALA HA H 22 4.084 3.916 0.168 1
1 227 . 4 1 1 A 22 22 ALA CA C 22 54.998 55.516 -0.518 1
1 228 . 4 1 1 A 22 22 ALA CB C 22 17.880 18.346 -0.466 1
1 229 . 4 1 1 A 22 22 ALA N N 22 125.291 123.223 2.068 1
1 230 . 4 1 1 A 23 23 LYS H H 23 7.868 7.548 0.320 1
1 231 . 4 1 1 A 23 23 LYS HA H 23 3.886 3.920 -0.034 1
1 240 . 4 1 1 A 23 23 LYS CA C 23 57.286 58.695 -1.409 1
1 241 . 4 1 1 A 23 23 LYS CB C 23 30.651 32.496 -1.845 1
1 245 . 4 1 1 A 23 23 LYS N N 23 119.332 117.549 1.783 1
1 246 . 4 1 1 A 24 24 PHE H H 24 8.369 8.074 0.295 1
1 247 . 4 1 1 A 24 24 PHE HA H 24 3.805 4.518 -0.713 1
1 252 . 4 1 1 A 24 24 PHE CA C 24 62.055 60.238 1.817 1
1 253 . 4 1 1 A 24 24 PHE CB C 24 38.744 38.618 0.126 1
1 256 . 4 1 1 A 24 24 PHE N N 24 119.142 119.163 -0.021 1
1 257 . 4 1 1 A 25 25 ALA H H 25 7.879 8.588 -0.709 1
1 258 . 4 1 1 A 25 25 ALA HA H 25 4.140 4.074 0.066 1
1 262 . 4 1 1 A 25 25 ALA CA C 25 55.014 55.407 -0.393 1
1 263 . 4 1 1 A 25 25 ALA CB C 25 17.773 18.091 -0.318 1
1 264 . 4 1 1 A 25 25 ALA N N 25 123.500 121.863 1.637 1
1 265 . 4 1 1 A 26 26 LYS H H 26 7.217 7.414 -0.197 1
1 266 . 4 1 1 A 26 26 LYS HA H 26 4.024 3.861 0.163 1
1 275 . 4 1 1 A 26 26 LYS CA C 26 58.189 58.966 -0.777 1
1 276 . 4 1 1 A 26 26 LYS CB C 26 32.033 32.028 0.005 1
1 280 . 4 1 1 A 26 26 LYS N N 26 118.541 118.555 -0.014 1
1 281 . 4 1 1 A 27 27 LEU H H 27 7.773 7.686 0.087 1
1 282 . 4 1 1 A 27 27 LEU HA H 27 4.257 3.648 0.609 1
1 292 . 4 1 1 A 27 27 LEU CA C 27 55.889 56.084 -0.195 1
1 293 . 4 1 1 A 27 27 LEU CB C 27 41.083 41.599 -0.516 1
1 297 . 4 1 1 A 27 27 LEU N N 27 118.340 119.127 -0.787 1
1 298 . 4 1 1 A 28 28 GLU H H 28 7.296 8.247 -0.951 1
1 299 . 4 1 1 A 28 28 GLU HA H 28 3.489 4.236 -0.747 1
1 304 . 4 1 1 A 28 28 GLU CA C 28 58.336 58.746 -0.410 1
1 305 . 4 1 1 A 28 28 GLU CB C 28 29.265 29.738 -0.473 1
1 307 . 4 1 1 A 28 28 GLU N N 28 119.557 120.611 -1.054 1
1 308 . 4 1 1 A 29 29 GLN H H 29 7.783 7.625 0.158 1
1 309 . 4 1 1 A 29 29 GLN HA H 29 3.923 3.970 -0.047 1
1 314 . 4 1 1 A 29 29 GLN CA C 29 57.387 58.288 -0.901 1
1 315 . 4 1 1 A 29 29 GLN CB C 29 28.082 28.444 -0.362 1
1 317 . 4 1 1 A 29 29 GLN N N 29 117.927 118.553 -0.626 1
1 318 . 4 1 1 A 30 30 TYR H H 30 7.731 6.923 0.808 1
1 319 . 4 1 1 A 30 30 TYR HA H 30 4.433 4.569 -0.136 1
1 324 . 4 1 1 A 30 30 TYR CA C 30 58.371 57.664 0.707 1
1 325 . 4 1 1 A 30 30 TYR CB C 30 39.297 39.091 0.206 1
1 328 . 4 1 1 A 30 30 TYR N N 30 118.639 116.086 2.553 1
1 329 . 4 1 1 A 31 31 PHE H H 31 7.652 7.421 0.231 1
1 330 . 4 1 1 A 31 31 PHE HA H 31 4.605 5.081 -0.476 1
1 334 . 4 1 1 A 31 31 PHE CA C 31 58.507 56.373 2.134 1
1 335 . 4 1 1 A 31 31 PHE CB C 31 40.438 41.080 -0.642 1
1 337 . 4 1 1 A 31 31 PHE N N 31 119.753 120.097 -0.344 1
1 338 . 4 1 1 A 32 32 ASP H H 32 8.087 8.798 -0.711 1
1 339 . 4 1 1 A 32 32 ASP HA H 32 4.465 4.840 -0.375 1
1 342 . 4 1 1 A 32 32 ASP CA C 32 55.094 54.310 0.784 1
1 343 . 4 1 1 A 32 32 ASP CB C 32 40.511 42.363 -1.852 1
1 344 . 4 1 1 A 32 32 ASP N N 32 121.865 122.335 -0.470 1
1 345 . 4 1 1 A 33 33 ARG H H 33 7.083 7.920 -0.837 1
1 346 . 4 1 1 A 33 33 ARG HA H 33 4.412 4.521 -0.109 1
1 353 . 4 1 1 A 33 33 ARG CA C 33 55.082 55.668 -0.586 1
1 354 . 4 1 1 A 33 33 ARG CB C 33 30.409 28.669 1.740 1
1 357 . 4 1 1 A 33 33 ARG N N 33 119.603 118.245 1.358 1
1 358 . 4 1 1 A 34 34 ILE H H 34 8.139 8.119 0.020 1
1 359 . 4 1 1 A 34 34 ILE HA H 34 4.051 4.953 -0.902 1
1 369 . 4 1 1 A 34 34 ILE CA C 34 61.543 60.668 0.875 1
1 370 . 4 1 1 A 34 34 ILE CB C 34 39.510 41.349 -1.839 1
1 374 . 4 1 1 A 34 34 ILE N N 34 123.576 124.374 -0.798 1
1 375 . 4 1 1 A 35 35 ASN H H 35 8.560 8.828 -0.268 1
1 376 . 4 1 1 A 35 35 ASN HA H 35 4.870 4.863 0.007 1
1 379 . 4 1 1 A 35 35 ASN CA C 35 53.877 54.163 -0.286 1
1 380 . 4 1 1 A 35 35 ASN CB C 35 38.806 39.426 -0.620 1
1 381 . 4 1 1 A 35 35 ASN N N 35 126.934 121.753 5.181 1
1 382 . 4 1 1 A 36 36 GLN H H 36 7.843 8.011 -0.168 1
1 383 . 4 1 1 A 36 36 GLN HA H 36 4.519 5.287 -0.768 1
1 388 . 4 1 1 A 36 36 GLN CA C 36 56.345 54.239 2.106 1
1 389 . 4 1 1 A 36 36 GLN CB C 36 31.240 30.987 0.253 1
1 391 . 4 1 1 A 36 36 GLN N N 36 120.673 118.422 2.251 1
1 392 . 4 1 1 A 37 37 VAL H H 37 8.330 8.901 -0.571 1
1 393 . 4 1 1 A 37 37 VAL HA H 37 4.693 4.895 -0.202 1
1 401 . 4 1 1 A 37 37 VAL CA C 37 60.789 61.232 -0.443 1
1 402 . 4 1 1 A 37 37 VAL CB C 37 34.740 34.672 0.068 1
1 405 . 4 1 1 A 37 37 VAL N N 37 123.403 126.232 -2.829 1
1 406 . 4 1 1 A 38 38 TYR H H 38 8.943 8.091 0.852 1
1 407 . 4 1 1 A 38 38 TYR HA H 38 5.039 6.198 -1.159 1
1 412 . 4 1 1 A 38 38 TYR CA C 38 57.028 55.255 1.773 1
1 413 . 4 1 1 A 38 38 TYR CB C 38 39.705 42.203 -2.498 1
1 416 . 4 1 1 A 38 38 TYR N N 38 129.202 123.402 5.800 1
1 417 . 4 1 1 A 39 39 VAL H H 39 9.053 8.414 0.639 1
1 418 . 4 1 1 A 39 39 VAL HA H 39 5.048 5.198 -0.150 1
1 426 . 4 1 1 A 39 39 VAL CA C 39 60.685 60.627 0.058 1
1 427 . 4 1 1 A 39 39 VAL CB C 39 34.107 35.353 -1.246 1
1 430 . 4 1 1 A 39 39 VAL N N 39 127.771 122.401 5.370 1
1 431 . 4 1 1 A 40 40 VAL H H 40 9.276 8.895 0.381 1
1 432 . 4 1 1 A 40 40 VAL HA H 40 4.862 4.963 -0.101 1
1 440 . 4 1 1 A 40 40 VAL CA C 40 60.896 60.662 0.234 1
1 441 . 4 1 1 A 40 40 VAL CB C 40 34.411 35.972 -1.561 1
1 444 . 4 1 1 A 40 40 VAL N N 40 130.939 126.237 4.702 1
1 445 . 4 1 1 A 41 41 LEU H H 41 8.714 8.808 -0.094 1
1 446 . 4 1 1 A 41 41 LEU HA H 41 5.111 5.564 -0.453 1
1 456 . 4 1 1 A 41 41 LEU CA C 41 53.150 52.977 0.173 1
1 457 . 4 1 1 A 41 41 LEU CB C 41 42.538 45.284 -2.746 1
1 461 . 4 1 1 A 41 41 LEU N N 41 130.200 124.745 5.455 1
1 462 . 4 1 1 A 42 42 LYS H H 42 8.955 9.845 -0.890 1
1 463 . 4 1 1 A 42 42 LYS HA H 42 5.180 5.511 -0.331 1
1 472 . 4 1 1 A 42 42 LYS CA C 42 55.017 54.837 0.180 1
1 473 . 4 1 1 A 42 42 LYS CB C 42 36.649 34.465 2.184 1
1 477 . 4 1 1 A 42 42 LYS N N 42 124.155 123.057 1.098 1
1 478 . 4 1 1 A 43 43 VAL H H 43 7.515 8.663 -1.148 1
1 479 . 4 1 1 A 43 43 VAL HA H 43 4.360 4.437 -0.077 1
1 487 . 4 1 1 A 43 43 VAL CA C 43 61.230 61.191 0.039 1
1 488 . 4 1 1 A 43 43 VAL CB C 43 33.656 32.926 0.730 1
1 491 . 4 1 1 A 43 43 VAL N N 43 124.332 125.496 -1.164 1
1 492 . 4 1 1 A 44 44 GLU H H 44 8.092 8.318 -0.226 1
1 493 . 4 1 1 A 44 44 GLU HA H 44 4.368 4.774 -0.406 1
1 498 . 4 1 1 A 44 44 GLU CA C 44 55.445 54.354 1.091 1
1 499 . 4 1 1 A 44 44 GLU CB C 44 31.404 33.300 -1.896 1
1 501 . 4 1 1 A 44 44 GLU N N 44 130.594 125.211 5.383 1
1 502 . 4 1 1 A 45 45 LYS H H 45 8.982 8.690 0.292 1
1 503 . 4 1 1 A 45 45 LYS HA H 45 3.695 3.936 -0.241 1
1 512 . 4 1 1 A 45 45 LYS CA C 45 59.588 58.886 0.702 1
1 513 . 4 1 1 A 45 45 LYS CB C 45 30.077 32.140 -2.063 1
1 517 . 4 1 1 A 45 45 LYS N N 45 125.587 121.088 4.499 1
1 518 . 4 1 1 A 46 46 VAL H H 46 7.710 7.427 0.283 1
1 519 . 4 1 1 A 46 46 VAL HA H 46 4.346 4.002 0.344 1
1 527 . 4 1 1 A 46 46 VAL CA C 46 61.342 64.568 -3.226 1
1 528 . 4 1 1 A 46 46 VAL CB C 46 31.917 31.910 0.007 1
1 531 . 4 1 1 A 46 46 VAL N N 46 115.763 118.234 -2.471 1
1 532 . 4 1 1 A 47 47 THR H H 47 8.151 7.801 0.350 1
1 533 . 4 1 1 A 47 47 THR HA H 47 4.397 5.289 -0.892 1
1 538 . 4 1 1 A 47 47 THR CA C 47 63.072 61.078 1.994 1
1 539 . 4 1 1 A 47 47 THR CB C 47 69.615 72.020 -2.405 1
1 541 . 4 1 1 A 47 47 THR N N 47 120.888 111.954 8.934 1
1 542 . 4 1 1 A 48 48 HIS H H 48 8.753 9.119 -0.366 1
1 543 . 4 1 1 A 48 48 HIS HA H 48 4.826 5.268 -0.442 1
1 547 . 4 1 1 A 48 48 HIS CA C 48 55.978 55.074 0.904 1
1 548 . 4 1 1 A 48 48 HIS CB C 48 30.476 31.140 -0.664 1
1 550 . 4 1 1 A 48 48 HIS N N 48 130.755 123.134 7.621 1
1 551 . 4 1 1 A 49 49 THR H H 49 9.136 8.465 0.671 1
1 552 . 4 1 1 A 49 49 THR HA H 49 5.245 5.228 0.017 1
1 557 . 4 1 1 A 49 49 THR CA C 49 60.941 61.112 -0.171 1
1 558 . 4 1 1 A 49 49 THR CB C 49 71.411 72.219 -0.808 1
1 560 . 4 1 1 A 49 49 THR N N 49 118.522 116.909 1.613 1
1 561 . 4 1 1 A 50 50 SER H H 50 9.050 8.493 0.557 1
1 562 . 4 1 1 A 50 50 SER HA H 50 5.348 5.710 -0.362 1
1 565 . 4 1 1 A 50 50 SER CA C 50 55.645 57.322 -1.677 1
1 566 . 4 1 1 A 50 50 SER CB C 50 66.579 66.302 0.277 1
1 567 . 4 1 1 A 50 50 SER N N 50 119.749 119.241 0.508 1
1 568 . 4 1 1 A 51 51 ASP H H 51 8.843 9.646 -0.803 1
1 569 . 4 1 1 A 51 51 ASP HA H 51 5.363 5.807 -0.444 1
1 572 . 4 1 1 A 51 51 ASP CA C 51 52.879 52.382 0.497 1
1 573 . 4 1 1 A 51 51 ASP CB C 51 45.173 44.593 0.580 1
1 574 . 4 1 1 A 51 51 ASP N N 51 126.330 121.102 5.228 1
1 575 . 4 1 1 A 52 52 ALA H H 52 8.938 9.468 -0.530 1
1 576 . 4 1 1 A 52 52 ALA HA H 52 5.777 5.152 0.625 1
1 580 . 4 1 1 A 52 52 ALA CA C 52 50.806 51.298 -0.492 1
1 581 . 4 1 1 A 52 52 ALA CB C 52 24.676 21.258 3.418 1
1 582 . 4 1 1 A 52 52 ALA N N 52 122.789 122.311 0.478 1
1 583 . 4 1 1 A 53 53 THR H H 53 8.666 8.786 -0.120 1
1 584 . 4 1 1 A 53 53 THR HA H 53 4.979 5.015 -0.036 1
1 589 . 4 1 1 A 53 53 THR CA C 53 62.026 61.572 0.454 1
1 590 . 4 1 1 A 53 53 THR CB C 53 70.850 69.037 1.813 1
1 592 . 4 1 1 A 53 53 THR N N 53 118.344 118.290 0.054 1
1 593 . 4 1 1 A 54 54 LEU H H 54 9.662 8.766 0.896 1
1 594 . 4 1 1 A 54 54 LEU HA H 54 4.921 5.038 -0.117 1
1 604 . 4 1 1 A 54 54 LEU CA C 54 53.923 54.011 -0.088 1
1 605 . 4 1 1 A 54 54 LEU CB C 54 43.782 43.980 -0.198 1
1 609 . 4 1 1 A 54 54 LEU N N 54 129.166 127.503 1.663 1
1 610 . 4 1 1 A 55 55 HIS H H 55 8.956 9.191 -0.235 1
1 611 . 4 1 1 A 55 55 HIS HA H 55 4.882 5.227 -0.345 1
1 615 . 4 1 1 A 55 55 HIS CA C 55 56.326 54.581 1.745 1
1 616 . 4 1 1 A 55 55 HIS CB C 55 30.431 32.465 -2.034 1
1 618 . 4 1 1 A 55 55 HIS N N 55 126.094 121.792 4.302 1
1 619 . 4 1 1 A 56 56 VAL H H 56 8.151 8.804 -0.653 1
1 620 . 4 1 1 A 56 56 VAL HA H 56 4.856 4.631 0.225 1
1 628 . 4 1 1 A 56 56 VAL CA C 56 58.734 59.096 -0.362 1
1 629 . 4 1 1 A 56 56 VAL CB C 56 34.523 34.660 -0.137 1
1 632 . 4 1 1 A 56 56 VAL N N 56 120.242 117.069 3.173 1
1 633 . 4 1 1 A 57 57 ASN H H 57 8.970 8.727 0.243 1
1 634 . 4 1 1 A 57 57 ASN HA H 57 4.463 4.437 0.026 1
1 637 . 4 1 1 A 57 57 ASN CA C 57 54.963 56.531 -1.568 1
1 638 . 4 1 1 A 57 57 ASN CB C 57 37.481 38.547 -1.066 1
1 639 . 4 1 1 A 57 57 ASN N N 57 124.652 120.724 3.928 1
1 640 . 4 1 1 A 58 58 GLY H H 58 8.868 7.839 1.029 1
1 641 . 4 1 1 A 58 58 GLY HA2 H 58 3.814 4.057 -0.243 1
1 642 . 4 1 1 A 58 58 GLY HA3 H 58 4.152 4.070 0.082 1
1 643 . 4 1 1 A 58 58 GLY CA C 58 45.606 45.580 0.026 1
1 644 . 4 1 1 A 58 58 GLY N N 58 112.816 105.355 7.461 1
1 645 . 4 1 1 A 59 59 GLY H H 59 7.848 7.365 0.483 1
1 646 . 4 1 1 A 59 59 GLY HA2 H 59 3.978 4.006 -0.028 1
1 647 . 4 1 1 A 59 59 GLY HA3 H 59 4.153 4.029 0.124 1
1 648 . 4 1 1 A 59 59 GLY CA C 59 45.321 45.231 0.090 1
1 649 . 4 1 1 A 59 59 GLY N N 59 109.857 107.645 2.212 1
1 650 . 4 1 1 A 60 60 GLU H H 60 8.262 8.774 -0.512 1
1 651 . 4 1 1 A 60 60 GLU HA H 60 5.110 4.782 0.328 1
1 656 . 4 1 1 A 60 60 GLU CA C 60 54.756 54.881 -0.125 1
1 657 . 4 1 1 A 60 60 GLU CB C 60 32.933 32.228 0.705 1
1 659 . 4 1 1 A 60 60 GLU N N 60 121.732 120.074 1.658 1
1 660 . 4 1 1 A 61 61 ILE H H 61 8.764 8.915 -0.151 1
1 661 . 4 1 1 A 61 61 ILE HA H 61 4.286 4.811 -0.525 1
1 671 . 4 1 1 A 61 61 ILE CA C 61 59.713 60.303 -0.590 1
1 672 . 4 1 1 A 61 61 ILE CB C 61 41.194 39.748 1.446 1
1 676 . 4 1 1 A 61 61 ILE N N 61 124.817 125.318 -0.501 1
1 677 . 4 1 1 A 62 62 HIS H H 62 8.907 8.872 0.035 1
1 678 . 4 1 1 A 62 62 HIS HA H 62 5.743 5.217 0.526 1
1 682 . 4 1 1 A 62 62 HIS CA C 62 54.009 53.600 0.409 1
1 683 . 4 1 1 A 62 62 HIS CB C 62 32.365 33.156 -0.791 1
1 685 . 4 1 1 A 62 62 HIS N N 62 127.338 126.889 0.449 1
1 686 . 4 1 1 A 63 63 ALA H H 63 8.298 9.090 -0.792 1
1 687 . 4 1 1 A 63 63 ALA HA H 63 4.480 5.337 -0.857 1
1 691 . 4 1 1 A 63 63 ALA CA C 63 51.764 50.465 1.299 1
1 692 . 4 1 1 A 63 63 ALA CB C 63 23.678 23.616 0.062 1
1 693 . 4 1 1 A 63 63 ALA N N 63 125.511 130.316 -4.805 1
1 694 . 4 1 1 A 64 64 SER H H 64 8.070 8.740 -0.670 1
1 695 . 4 1 1 A 64 64 SER HA H 64 5.286 5.419 -0.133 1
1 698 . 4 1 1 A 64 64 SER CA C 64 56.782 57.478 -0.696 1
1 699 . 4 1 1 A 64 64 SER CB C 64 65.895 65.980 -0.085 1
1 700 . 4 1 1 A 64 64 SER N N 64 114.469 115.035 -0.566 1
1 701 . 4 1 1 A 65 65 ALA H H 65 8.904 8.784 0.120 1
1 702 . 4 1 1 A 65 65 ALA HA H 65 4.669 5.275 -0.606 1
1 706 . 4 1 1 A 65 65 ALA CA C 65 51.753 50.845 0.908 1
1 707 . 4 1 1 A 65 65 ALA CB C 65 22.599 23.976 -1.377 1
1 708 . 4 1 1 A 65 65 ALA N N 65 126.977 123.683 3.294 1
1 709 . 4 1 1 A 66 66 GLU H H 66 8.200 8.921 -0.721 1
1 710 . 4 1 1 A 66 66 GLU HA H 66 5.680 5.315 0.365 1
1 715 . 4 1 1 A 66 66 GLU CA C 66 53.650 54.548 -0.898 1
1 716 . 4 1 1 A 66 66 GLU CB C 66 33.741 34.033 -0.292 1
1 718 . 4 1 1 A 66 66 GLU N N 66 119.267 117.293 1.974 1
1 719 . 4 1 1 A 67 67 GLY H H 67 8.836 8.452 0.384 1
1 720 . 4 1 1 A 67 67 GLY HA2 H 67 4.490 4.121 0.369 1
1 721 . 4 1 1 A 67 67 GLY HA3 H 67 3.728 4.124 -0.396 1
1 722 . 4 1 1 A 67 67 GLY CA C 67 45.157 46.014 -0.857 1
1 723 . 4 1 1 A 67 67 GLY N N 67 108.048 108.041 0.007 1
1 724 . 4 1 1 A 68 68 GLN H H 68 8.997 7.847 1.150 1
1 725 . 4 1 1 A 68 68 GLN HA H 68 4.440 4.516 -0.076 1
1 730 . 4 1 1 A 68 68 GLN CA C 68 56.996 56.491 0.505 1
1 731 . 4 1 1 A 68 68 GLN CB C 68 28.694 31.926 -3.232 1
1 733 . 4 1 1 A 68 68 GLN N N 68 119.961 117.438 2.523 1
1 734 . 4 1 1 A 69 69 ASP H H 69 7.542 7.538 0.004 1
1 735 . 4 1 1 A 69 69 ASP HA H 69 3.242 3.787 -0.545 1
1 738 . 4 1 1 A 69 69 ASP CA C 69 51.838 52.149 -0.311 1
1 739 . 4 1 1 A 69 69 ASP CB C 69 42.829 42.703 0.126 1
1 740 . 4 1 1 A 69 69 ASP N N 69 115.279 115.651 -0.372 1
1 741 . 4 1 1 A 70 70 MET H H 70 8.409 8.554 -0.145 1
1 742 . 4 1 1 A 70 70 MET HA H 70 4.200 4.218 -0.018 1
1 747 . 4 1 1 A 70 70 MET CA C 70 56.505 58.435 -1.930 1
1 748 . 4 1 1 A 70 70 MET CB C 70 31.533 32.197 -0.664 1
1 750 . 4 1 1 A 70 70 MET N N 70 120.495 117.785 2.710 1
1 751 . 4 1 1 A 71 71 TYR H H 71 7.304 7.182 0.122 1
1 752 . 4 1 1 A 71 71 TYR HA H 71 3.832 4.153 -0.321 1
1 757 . 4 1 1 A 71 71 TYR CA C 71 60.141 60.059 0.082 1
1 758 . 4 1 1 A 71 71 TYR CB C 71 35.788 38.920 -3.132 1
1 761 . 4 1 1 A 71 71 TYR N N 71 120.024 117.826 2.198 1
1 762 . 4 1 1 A 72 72 ALA H H 72 8.474 8.678 -0.204 1
1 763 . 4 1 1 A 72 72 ALA HA H 72 4.213 4.010 0.203 1
1 767 . 4 1 1 A 72 72 ALA CA C 72 54.526 55.203 -0.677 1
1 768 . 4 1 1 A 72 72 ALA CB C 72 18.884 18.148 0.736 1
1 769 . 4 1 1 A 72 72 ALA N N 72 123.384 123.012 0.372 1
1 770 . 4 1 1 A 73 73 ALA H H 73 7.595 7.982 -0.387 1
1 771 . 4 1 1 A 73 73 ALA HA H 73 3.731 4.146 -0.415 1
1 775 . 4 1 1 A 73 73 ALA CA C 73 55.647 54.708 0.939 1
1 776 . 4 1 1 A 73 73 ALA CB C 73 17.460 18.533 -1.073 1
1 777 . 4 1 1 A 73 73 ALA N N 73 123.415 120.170 3.245 1
1 778 . 4 1 1 A 74 74 ILE H H 74 7.958 8.019 -0.061 1
1 779 . 4 1 1 A 74 74 ILE HA H 74 3.692 3.908 -0.216 1
1 789 . 4 1 1 A 74 74 ILE CA C 74 63.902 64.566 -0.664 1
1 790 . 4 1 1 A 74 74 ILE CB C 74 37.010 37.564 -0.554 1
1 794 . 4 1 1 A 74 74 ILE N N 74 119.834 119.135 0.699 1
1 795 . 4 1 1 A 75 75 ASP H H 75 8.468 8.349 0.119 1
1 796 . 4 1 1 A 75 75 ASP HA H 75 4.282 4.430 -0.148 1
1 799 . 4 1 1 A 75 75 ASP CA C 75 58.107 57.272 0.835 1
1 800 . 4 1 1 A 75 75 ASP CB C 75 40.628 40.543 0.085 1
1 801 . 4 1 1 A 75 75 ASP N N 75 122.091 122.074 0.017 1
1 802 . 4 1 1 A 76 76 GLY H H 76 8.041 8.192 -0.151 1
1 803 . 4 1 1 A 76 76 GLY HA2 H 76 3.845 3.705 0.140 1
1 804 . 4 1 1 A 76 76 GLY HA3 H 76 3.863 3.709 0.154 1
1 805 . 4 1 1 A 76 76 GLY CA C 76 46.668 47.350 -0.682 1
1 806 . 4 1 1 A 76 76 GLY N N 76 108.081 108.162 -0.081 1
1 807 . 4 1 1 A 77 77 LEU H H 77 8.088 7.965 0.123 1
1 808 . 4 1 1 A 77 77 LEU HA H 77 3.709 4.189 -0.480 1
1 818 . 4 1 1 A 77 77 LEU CA C 77 57.865 57.167 0.698 1
1 819 . 4 1 1 A 77 77 LEU CB C 77 41.828 41.687 0.141 1
1 823 . 4 1 1 A 77 77 LEU N N 77 126.711 122.780 3.931 1
1 824 . 4 1 1 A 78 78 ILE H H 78 8.155 8.023 0.132 1
1 825 . 4 1 1 A 78 78 ILE HA H 78 3.316 3.861 -0.545 1
1 835 . 4 1 1 A 78 78 ILE CA C 78 62.813 62.413 0.400 1
1 836 . 4 1 1 A 78 78 ILE CB C 78 34.810 37.810 -3.000 1
1 840 . 4 1 1 A 78 78 ILE N N 78 120.409 119.169 1.240 1
1 841 . 4 1 1 A 79 79 ASP H H 79 7.408 7.771 -0.363 1
1 842 . 4 1 1 A 79 79 ASP HA H 79 4.274 4.455 -0.181 1
1 845 . 4 1 1 A 79 79 ASP CA C 79 57.605 56.383 1.222 1
1 846 . 4 1 1 A 79 79 ASP CB C 79 41.017 40.937 0.080 1
1 847 . 4 1 1 A 79 79 ASP N N 79 120.497 122.701 -2.204 1
1 848 . 4 1 1 A 80 80 LYS H H 80 7.536 7.953 -0.417 1
1 849 . 4 1 1 A 80 80 LYS HA H 80 3.931 4.002 -0.071 1
1 858 . 4 1 1 A 80 80 LYS CA C 80 59.952 59.546 0.406 1
1 859 . 4 1 1 A 80 80 LYS CB C 80 33.221 32.313 0.908 1
1 863 . 4 1 1 A 80 80 LYS N N 80 119.684 118.933 0.751 1
1 864 . 4 1 1 A 81 81 LEU H H 81 8.473 7.809 0.664 1
1 865 . 4 1 1 A 81 81 LEU HA H 81 3.765 3.956 -0.191 1
1 875 . 4 1 1 A 81 81 LEU CA C 81 57.564 57.742 -0.178 1
1 876 . 4 1 1 A 81 81 LEU CB C 81 42.473 41.770 0.703 1
1 880 . 4 1 1 A 81 81 LEU N N 81 121.519 120.227 1.292 1
1 881 . 4 1 1 A 82 82 ALA H H 82 8.682 8.156 0.526 1
1 882 . 4 1 1 A 82 82 ALA HA H 82 3.479 4.312 -0.833 1
1 886 . 4 1 1 A 82 82 ALA CA C 82 55.731 55.866 -0.135 1
1 887 . 4 1 1 A 82 82 ALA CB C 82 17.388 18.246 -0.858 1
1 888 . 4 1 1 A 82 82 ALA N N 82 123.814 121.237 2.577 1
1 889 . 4 1 1 A 83 83 ARG H H 83 7.329 7.849 -0.520 1
1 890 . 4 1 1 A 83 83 ARG HA H 83 3.981 4.059 -0.078 1
1 897 . 4 1 1 A 83 83 ARG CA C 83 59.137 59.612 -0.475 1
1 898 . 4 1 1 A 83 83 ARG CB C 83 29.971 30.138 -0.167 1
1 901 . 4 1 1 A 83 83 ARG N N 83 118.219 117.370 0.849 1
1 902 . 4 1 1 A 84 84 GLN H H 84 7.750 7.529 0.221 1
1 903 . 4 1 1 A 84 84 GLN HA H 84 4.047 4.114 -0.067 1
1 906 . 4 1 1 A 84 84 GLN CA C 84 58.685 58.369 0.316 1
1 907 . 4 1 1 A 84 84 GLN CB C 84 29.903 28.428 1.475 1
1 909 . 4 1 1 A 84 84 GLN N N 84 119.887 118.945 0.942 1
1 910 . 4 1 1 A 85 85 LEU H H 85 8.610 8.430 0.180 1
1 911 . 4 1 1 A 85 85 LEU HA H 85 3.788 3.484 0.304 1
1 920 . 4 1 1 A 85 85 LEU CA C 85 57.600 57.392 0.208 1
1 921 . 4 1 1 A 85 85 LEU CB C 85 41.178 40.801 0.377 1
1 925 . 4 1 1 A 85 85 LEU N N 85 122.951 119.671 3.280 1
1 926 . 4 1 1 A 86 86 THR H H 86 7.709 8.402 -0.693 1
1 927 . 4 1 1 A 86 86 THR HA H 86 4.056 4.015 0.041 1
1 932 . 4 1 1 A 86 86 THR CA C 86 65.924 67.067 -1.143 1
1 933 . 4 1 1 A 86 86 THR CB C 86 68.870 67.782 1.088 1
1 935 . 4 1 1 A 86 86 THR N N 86 116.282 115.957 0.325 1
1 936 . 4 1 1 A 87 87 LYS H H 87 7.457 7.588 -0.131 1
1 937 . 4 1 1 A 87 87 LYS HA H 87 4.102 3.867 0.235 1
1 946 . 4 1 1 A 87 87 LYS CA C 87 58.289 59.478 -1.189 1
1 947 . 4 1 1 A 87 87 LYS CB C 87 32.293 32.166 0.127 1
1 951 . 4 1 1 A 87 87 LYS N N 87 122.670 120.189 2.481 1
1 952 . 4 1 1 A 88 88 HIS H H 88 7.928 7.932 -0.004 1
1 953 . 4 1 1 A 88 88 HIS HA H 88 4.301 4.302 -0.001 1
1 957 . 4 1 1 A 88 88 HIS CA C 88 58.361 58.777 -0.416 1
1 958 . 4 1 1 A 88 88 HIS CB C 88 30.766 28.492 2.274 1
1 960 . 4 1 1 A 88 88 HIS N N 88 121.382 116.822 4.560 1
1 961 . 4 1 1 A 89 89 LYS H H 89 7.928 7.657 0.271 1
1 962 . 4 1 1 A 89 89 LYS HA H 89 3.934 4.208 -0.274 1
1 971 . 4 1 1 A 89 89 LYS CA C 89 58.568 58.758 -0.190 1
1 972 . 4 1 1 A 89 89 LYS CB C 89 32.489 32.362 0.127 1
1 976 . 4 1 1 A 89 89 LYS N N 89 121.821 121.503 0.318 1
1 977 . 4 1 1 A 90 90 ASP H H 90 8.143 7.980 0.163 1
1 978 . 4 1 1 A 90 90 ASP HA H 90 4.445 4.393 0.052 1
1 981 . 4 1 1 A 90 90 ASP CA C 90 55.869 56.750 -0.881 1
1 982 . 4 1 1 A 90 90 ASP CB C 90 40.715 40.582 0.133 1
1 983 . 4 1 1 A 90 90 ASP N N 90 121.199 119.671 1.528 1
1 984 . 4 1 1 A 91 91 LYS H H 91 7.867 8.051 -0.184 1
1 985 . 4 1 1 A 91 91 LYS HA H 91 4.130 4.119 0.011 1
1 994 . 4 1 1 A 91 91 LYS CA C 91 57.421 59.367 -1.946 1
1 995 . 4 1 1 A 91 91 LYS CB C 91 32.365 32.615 -0.250 1
1 999 . 4 1 1 A 91 91 LYS N N 91 121.976 119.361 2.615 1
1 1000 . 4 1 1 A 92 92 LEU H H 92 7.709 7.617 0.092 1
1 1001 . 4 1 1 A 92 92 LEU HA H 92 4.171 4.624 -0.453 1
1 1011 . 4 1 1 A 92 92 LEU CA C 92 55.449 54.268 1.181 1
1 1012 . 4 1 1 A 92 92 LEU CB C 92 41.871 41.184 0.687 1
1 1016 . 4 1 1 A 92 92 LEU N N 92 121.802 117.828 3.974 1
1 1017 . 4 1 1 A 93 93 LYS H H 93 7.751 8.367 -0.616 1
1 1018 . 4 1 1 A 93 93 LYS HA H 93 4.197 4.497 -0.300 1
1 1027 . 4 1 1 A 93 93 LYS CA C 93 56.420 57.377 -0.957 1
1 1028 . 4 1 1 A 93 93 LYS CB C 93 32.792 34.291 -1.499 1
1 1032 . 4 1 1 A 93 93 LYS N N 93 121.954 120.318 1.636 1
1 1033 . 4 1 1 A 94 94 GLN H H 94 8.129 7.711 0.418 1
1 1034 . 4 1 1 A 94 94 GLN HA H 94 4.208 4.656 -0.448 1
1 1039 . 4 1 1 A 94 94 GLN CA C 94 55.891 54.787 1.104 1
1 1040 . 4 1 1 A 94 94 GLN CB C 94 29.236 30.892 -1.656 1
1 1042 . 4 1 1 A 94 94 GLN N N 94 123.165 113.737 9.428 1
1 1 . 5 1 1 A 2 2 GLN H H 2 7.809 7.915 -0.106 1
1 2 . 5 1 1 A 2 2 GLN HA H 2 4.394 4.921 -0.527 1
1 7 . 5 1 1 A 2 2 GLN CA C 2 55.124 53.906 1.218 1
1 8 . 5 1 1 A 2 2 GLN CB C 2 30.385 32.242 -1.857 1
1 10 . 5 1 1 A 2 2 GLN N N 2 126.586 121.082 5.504 1
1 11 . 5 1 1 A 3 3 LEU H H 3 8.598 8.574 0.024 1
1 12 . 5 1 1 A 3 3 LEU HA H 3 4.380 5.428 -1.048 1
1 22 . 5 1 1 A 3 3 LEU CA C 3 54.590 52.647 1.943 1
1 23 . 5 1 1 A 3 3 LEU CB C 3 43.701 44.227 -0.526 1
1 27 . 5 1 1 A 3 3 LEU N N 3 128.942 117.633 11.309 1
1 28 . 5 1 1 A 4 4 ASN H H 4 8.227 8.647 -0.420 1
1 29 . 5 1 1 A 4 4 ASN HA H 4 4.864 5.331 -0.467 1
1 32 . 5 1 1 A 4 4 ASN CA C 4 52.628 52.213 0.415 1
1 33 . 5 1 1 A 4 4 ASN CB C 4 41.258 42.866 -1.608 1
1 34 . 5 1 1 A 4 4 ASN N N 4 127.137 118.185 8.952 1
1 35 . 5 1 1 A 5 5 ILE H H 5 8.659 8.585 0.074 1
1 36 . 5 1 1 A 5 5 ILE HA H 5 4.901 5.343 -0.442 1
1 46 . 5 1 1 A 5 5 ILE CA C 5 60.288 59.532 0.756 1
1 47 . 5 1 1 A 5 5 ILE CB C 5 40.902 42.041 -1.139 1
1 51 . 5 1 1 A 5 5 ILE N N 5 126.355 121.086 5.269 1
1 52 . 5 1 1 A 6 6 THR H H 6 8.796 9.076 -0.280 1
1 53 . 5 1 1 A 6 6 THR HA H 6 4.654 4.975 -0.321 1
1 58 . 5 1 1 A 6 6 THR CA C 6 60.751 60.448 0.303 1
1 59 . 5 1 1 A 6 6 THR CB C 6 71.993 71.450 0.543 1
1 61 . 5 1 1 A 6 6 THR N N 6 123.546 120.995 2.551 1
1 62 . 5 1 1 A 7 7 GLY H H 7 8.833 9.176 -0.343 1
1 63 . 5 1 1 A 7 7 GLY HA2 H 7 3.764 4.199 -0.435 1
1 64 . 5 1 1 A 7 7 GLY HA3 H 7 5.071 4.203 0.868 1
1 65 . 5 1 1 A 7 7 GLY CA C 7 44.318 44.785 -0.467 1
1 66 . 5 1 1 A 7 7 GLY N N 7 112.240 115.114 -2.874 1
1 67 . 5 1 1 A 8 8 ASN H H 8 8.962 8.249 0.713 1
1 68 . 5 1 1 A 8 8 ASN HA H 8 4.828 5.451 -0.623 1
1 71 . 5 1 1 A 8 8 ASN CA C 8 52.799 51.760 1.039 1
1 72 . 5 1 1 A 8 8 ASN CB C 8 39.244 39.793 -0.549 1
1 73 . 5 1 1 A 8 8 ASN N N 8 124.384 119.803 4.581 1
1 74 . 5 1 1 A 9 9 ASN H H 9 8.756 9.066 -0.310 1
1 75 . 5 1 1 A 9 9 ASN HA H 9 4.248 4.304 -0.056 1
1 78 . 5 1 1 A 9 9 ASN CA C 9 53.998 54.389 -0.391 1
1 79 . 5 1 1 A 9 9 ASN CB C 9 37.231 37.609 -0.378 1
1 80 . 5 1 1 A 9 9 ASN N N 9 120.082 118.201 1.881 1
1 81 . 5 1 1 A 10 10 VAL H H 10 6.825 7.686 -0.861 1
1 82 . 5 1 1 A 10 10 VAL HA H 10 4.097 4.554 -0.457 1
1 90 . 5 1 1 A 10 10 VAL CA C 10 60.425 60.181 0.244 1
1 91 . 5 1 1 A 10 10 VAL CB C 10 34.765 35.368 -0.603 1
1 94 . 5 1 1 A 10 10 VAL N N 10 115.342 117.399 -2.057 1
1 95 . 5 1 1 A 11 11 GLU H H 11 8.347 8.685 -0.338 1
1 96 . 5 1 1 A 11 11 GLU HA H 11 4.174 4.704 -0.530 1
1 101 . 5 1 1 A 11 11 GLU CA C 11 55.442 56.534 -1.092 1
1 102 . 5 1 1 A 11 11 GLU CB C 11 30.114 30.262 -0.148 1
1 104 . 5 1 1 A 11 11 GLU N N 11 129.115 126.909 2.206 1
1 105 . 5 1 1 A 12 12 ILE H H 12 8.942 8.813 0.129 1
1 106 . 5 1 1 A 12 12 ILE HA H 12 4.034 4.415 -0.381 1
1 116 . 5 1 1 A 12 12 ILE CA C 12 58.894 60.831 -1.937 1
1 117 . 5 1 1 A 12 12 ILE CB C 12 33.240 37.022 -3.782 1
1 121 . 5 1 1 A 12 12 ILE N N 12 128.622 126.360 2.262 1
1 122 . 5 1 1 A 13 13 THR H H 13 6.818 8.329 -1.511 1
1 123 . 5 1 1 A 13 13 THR HA H 13 4.429 4.943 -0.514 1
1 128 . 5 1 1 A 13 13 THR CA C 13 60.052 59.826 0.226 1
1 129 . 5 1 1 A 13 13 THR CB C 13 70.842 71.347 -0.505 1
1 131 . 5 1 1 A 13 13 THR N N 13 119.687 119.676 0.011 1
1 132 . 5 1 1 A 14 14 GLU H H 14 8.969 9.045 -0.076 1
1 133 . 5 1 1 A 14 14 GLU HA H 14 4.024 3.983 0.041 1
1 138 . 5 1 1 A 14 14 GLU CA C 14 59.794 59.930 -0.136 1
1 139 . 5 1 1 A 14 14 GLU CB C 14 28.845 29.352 -0.507 1
1 141 . 5 1 1 A 14 14 GLU N N 14 123.290 122.369 0.921 1
1 142 . 5 1 1 A 15 15 ALA H H 15 8.334 8.065 0.269 1
1 143 . 5 1 1 A 15 15 ALA HA H 15 4.151 4.116 0.035 1
1 147 . 5 1 1 A 15 15 ALA CA C 15 55.076 55.057 0.019 1
1 148 . 5 1 1 A 15 15 ALA CB C 15 18.008 18.458 -0.450 1
1 149 . 5 1 1 A 15 15 ALA N N 15 121.958 122.834 -0.876 1
1 150 . 5 1 1 A 16 16 LEU H H 16 7.765 8.051 -0.286 1
1 151 . 5 1 1 A 16 16 LEU HA H 16 4.240 4.228 0.012 1
1 161 . 5 1 1 A 16 16 LEU CA C 16 57.674 58.736 -1.062 1
1 162 . 5 1 1 A 16 16 LEU CB C 16 42.122 41.876 0.246 1
1 166 . 5 1 1 A 16 16 LEU N N 16 123.064 119.925 3.139 1
1 167 . 5 1 1 A 17 17 ARG H H 17 8.627 8.088 0.539 1
1 168 . 5 1 1 A 17 17 ARG HA H 17 3.595 4.158 -0.563 1
1 175 . 5 1 1 A 17 17 ARG CA C 17 60.573 59.022 1.551 1
1 176 . 5 1 1 A 17 17 ARG CB C 17 29.679 30.136 -0.457 1
1 179 . 5 1 1 A 17 17 ARG N N 17 121.878 118.340 3.538 1
1 180 . 5 1 1 A 18 18 GLU H H 18 8.665 7.884 0.781 1
1 181 . 5 1 1 A 18 18 GLU HA H 18 3.952 4.124 -0.172 1
1 186 . 5 1 1 A 18 18 GLU CA C 18 59.654 59.258 0.396 1
1 187 . 5 1 1 A 18 18 GLU CB C 18 29.301 29.606 -0.305 1
1 189 . 5 1 1 A 18 18 GLU N N 18 123.257 119.415 3.842 1
1 190 . 5 1 1 A 19 19 PHE H H 19 8.026 8.213 -0.187 1
1 191 . 5 1 1 A 19 19 PHE HA H 19 4.258 4.176 0.082 1
1 195 . 5 1 1 A 19 19 PHE CA C 19 61.640 61.428 0.212 1
1 196 . 5 1 1 A 19 19 PHE CB C 19 39.547 39.452 0.095 1
1 198 . 5 1 1 A 19 19 PHE N N 19 123.888 121.911 1.977 1
1 199 . 5 1 1 A 20 20 VAL H H 20 8.734 8.250 0.484 1
1 200 . 5 1 1 A 20 20 VAL HA H 20 3.336 3.772 -0.436 1
1 208 . 5 1 1 A 20 20 VAL CA C 20 67.245 66.659 0.586 1
1 209 . 5 1 1 A 20 20 VAL CB C 20 31.965 31.969 -0.004 1
1 212 . 5 1 1 A 20 20 VAL N N 20 119.762 118.961 0.801 1
1 213 . 5 1 1 A 21 21 THR H H 21 8.213 8.187 0.026 1
1 214 . 5 1 1 A 21 21 THR HA H 21 3.615 3.953 -0.338 1
1 218 . 5 1 1 A 21 21 THR CA C 21 67.657 66.350 1.307 1
1 219 . 5 1 1 A 21 21 THR CB C 21 68.697 68.705 -0.008 1
1 221 . 5 1 1 A 21 21 THR N N 21 117.446 115.637 1.809 1
1 222 . 5 1 1 A 22 22 ALA H H 22 8.050 8.779 -0.729 1
1 223 . 5 1 1 A 22 22 ALA HA H 22 4.084 3.920 0.164 1
1 227 . 5 1 1 A 22 22 ALA CA C 22 54.998 55.505 -0.507 1
1 228 . 5 1 1 A 22 22 ALA CB C 22 17.880 18.326 -0.446 1
1 229 . 5 1 1 A 22 22 ALA N N 22 125.291 123.199 2.092 1
1 230 . 5 1 1 A 23 23 LYS H H 23 7.868 7.564 0.304 1
1 231 . 5 1 1 A 23 23 LYS HA H 23 3.886 3.911 -0.025 1
1 240 . 5 1 1 A 23 23 LYS CA C 23 57.286 58.877 -1.591 1
1 241 . 5 1 1 A 23 23 LYS CB C 23 30.651 32.513 -1.862 1
1 245 . 5 1 1 A 23 23 LYS N N 23 119.332 117.660 1.672 1
1 246 . 5 1 1 A 24 24 PHE H H 24 8.369 8.124 0.245 1
1 247 . 5 1 1 A 24 24 PHE HA H 24 3.805 4.431 -0.626 1
1 252 . 5 1 1 A 24 24 PHE CA C 24 62.055 60.173 1.882 1
1 253 . 5 1 1 A 24 24 PHE CB C 24 38.744 38.583 0.161 1
1 256 . 5 1 1 A 24 24 PHE N N 24 119.142 118.483 0.659 1
1 257 . 5 1 1 A 25 25 ALA H H 25 7.879 8.566 -0.687 1
1 258 . 5 1 1 A 25 25 ALA HA H 25 4.140 4.091 0.049 1
1 262 . 5 1 1 A 25 25 ALA CA C 25 55.014 55.396 -0.382 1
1 263 . 5 1 1 A 25 25 ALA CB C 25 17.773 18.095 -0.322 1
1 264 . 5 1 1 A 25 25 ALA N N 25 123.500 121.781 1.719 1
1 265 . 5 1 1 A 26 26 LYS H H 26 7.217 7.600 -0.383 1
1 266 . 5 1 1 A 26 26 LYS HA H 26 4.024 3.835 0.189 1
1 275 . 5 1 1 A 26 26 LYS CA C 26 58.189 59.070 -0.881 1
1 276 . 5 1 1 A 26 26 LYS CB C 26 32.033 32.072 -0.039 1
1 280 . 5 1 1 A 26 26 LYS N N 26 118.541 118.523 0.018 1
1 281 . 5 1 1 A 27 27 LEU H H 27 7.773 7.730 0.043 1
1 282 . 5 1 1 A 27 27 LEU HA H 27 4.257 3.474 0.783 1
1 292 . 5 1 1 A 27 27 LEU CA C 27 55.889 56.225 -0.336 1
1 293 . 5 1 1 A 27 27 LEU CB C 27 41.083 41.791 -0.708 1
1 297 . 5 1 1 A 27 27 LEU N N 27 118.340 119.080 -0.740 1
1 298 . 5 1 1 A 28 28 GLU H H 28 7.296 8.279 -0.983 1
1 299 . 5 1 1 A 28 28 GLU HA H 28 3.489 4.373 -0.884 1
1 304 . 5 1 1 A 28 28 GLU CA C 28 58.336 58.792 -0.456 1
1 305 . 5 1 1 A 28 28 GLU CB C 28 29.265 29.456 -0.191 1
1 307 . 5 1 1 A 28 28 GLU N N 28 119.557 119.435 0.122 1
1 308 . 5 1 1 A 29 29 GLN H H 29 7.783 7.606 0.177 1
1 309 . 5 1 1 A 29 29 GLN HA H 29 3.923 3.946 -0.023 1
1 314 . 5 1 1 A 29 29 GLN CA C 29 57.387 58.201 -0.814 1
1 315 . 5 1 1 A 29 29 GLN CB C 29 28.082 28.539 -0.457 1
1 317 . 5 1 1 A 29 29 GLN N N 29 117.927 119.870 -1.943 1
1 318 . 5 1 1 A 30 30 TYR H H 30 7.731 6.934 0.797 1
1 319 . 5 1 1 A 30 30 TYR HA H 30 4.433 4.442 -0.009 1
1 324 . 5 1 1 A 30 30 TYR CA C 30 58.371 57.956 0.415 1
1 325 . 5 1 1 A 30 30 TYR CB C 30 39.297 38.601 0.696 1
1 328 . 5 1 1 A 30 30 TYR N N 30 118.639 118.514 0.125 1
1 329 . 5 1 1 A 31 31 PHE H H 31 7.652 7.605 0.047 1
1 330 . 5 1 1 A 31 31 PHE HA H 31 4.605 4.827 -0.222 1
1 334 . 5 1 1 A 31 31 PHE CA C 31 58.507 58.204 0.303 1
1 335 . 5 1 1 A 31 31 PHE CB C 31 40.438 40.239 0.199 1
1 337 . 5 1 1 A 31 31 PHE N N 31 119.753 120.093 -0.340 1
1 338 . 5 1 1 A 32 32 ASP H H 32 8.087 9.085 -0.998 1
1 339 . 5 1 1 A 32 32 ASP HA H 32 4.465 4.838 -0.373 1
1 342 . 5 1 1 A 32 32 ASP CA C 32 55.094 54.953 0.141 1
1 343 . 5 1 1 A 32 32 ASP CB C 32 40.511 42.408 -1.897 1
1 344 . 5 1 1 A 32 32 ASP N N 32 121.865 125.851 -3.986 1
1 345 . 5 1 1 A 33 33 ARG H H 33 7.083 7.936 -0.853 1
1 346 . 5 1 1 A 33 33 ARG HA H 33 4.412 4.510 -0.098 1
1 353 . 5 1 1 A 33 33 ARG CA C 33 55.082 55.680 -0.598 1
1 354 . 5 1 1 A 33 33 ARG CB C 33 30.409 28.663 1.746 1
1 357 . 5 1 1 A 33 33 ARG N N 33 119.603 117.354 2.249 1
1 358 . 5 1 1 A 34 34 ILE H H 34 8.139 8.546 -0.407 1
1 359 . 5 1 1 A 34 34 ILE HA H 34 4.051 4.870 -0.819 1
1 369 . 5 1 1 A 34 34 ILE CA C 34 61.543 60.880 0.663 1
1 370 . 5 1 1 A 34 34 ILE CB C 34 39.510 40.578 -1.068 1
1 374 . 5 1 1 A 34 34 ILE N N 34 123.576 124.357 -0.781 1
1 375 . 5 1 1 A 35 35 ASN H H 35 8.560 8.836 -0.276 1
1 376 . 5 1 1 A 35 35 ASN HA H 35 4.870 4.963 -0.093 1
1 379 . 5 1 1 A 35 35 ASN CA C 35 53.877 54.127 -0.250 1
1 380 . 5 1 1 A 35 35 ASN CB C 35 38.806 39.710 -0.904 1
1 381 . 5 1 1 A 35 35 ASN N N 35 126.934 121.174 5.760 1
1 382 . 5 1 1 A 36 36 GLN H H 36 7.843 7.889 -0.046 1
1 383 . 5 1 1 A 36 36 GLN HA H 36 4.519 5.079 -0.560 1
1 388 . 5 1 1 A 36 36 GLN CA C 36 56.345 54.264 2.081 1
1 389 . 5 1 1 A 36 36 GLN CB C 36 31.240 31.070 0.170 1
1 391 . 5 1 1 A 36 36 GLN N N 36 120.673 118.172 2.501 1
1 392 . 5 1 1 A 37 37 VAL H H 37 8.330 8.944 -0.614 1
1 393 . 5 1 1 A 37 37 VAL HA H 37 4.693 4.891 -0.198 1
1 401 . 5 1 1 A 37 37 VAL CA C 37 60.789 60.844 -0.055 1
1 402 . 5 1 1 A 37 37 VAL CB C 37 34.740 34.887 -0.147 1
1 405 . 5 1 1 A 37 37 VAL N N 37 123.403 126.374 -2.971 1
1 406 . 5 1 1 A 38 38 TYR H H 38 8.943 7.972 0.971 1
1 407 . 5 1 1 A 38 38 TYR HA H 38 5.039 6.153 -1.114 1
1 412 . 5 1 1 A 38 38 TYR CA C 38 57.028 55.237 1.791 1
1 413 . 5 1 1 A 38 38 TYR CB C 38 39.705 42.013 -2.308 1
1 416 . 5 1 1 A 38 38 TYR N N 38 129.202 123.271 5.931 1
1 417 . 5 1 1 A 39 39 VAL H H 39 9.053 8.830 0.223 1
1 418 . 5 1 1 A 39 39 VAL HA H 39 5.048 5.236 -0.188 1
1 426 . 5 1 1 A 39 39 VAL CA C 39 60.685 60.654 0.031 1
1 427 . 5 1 1 A 39 39 VAL CB C 39 34.107 35.249 -1.142 1
1 430 . 5 1 1 A 39 39 VAL N N 39 127.771 123.632 4.139 1
1 431 . 5 1 1 A 40 40 VAL H H 40 9.276 8.696 0.580 1
1 432 . 5 1 1 A 40 40 VAL HA H 40 4.862 5.005 -0.143 1
1 440 . 5 1 1 A 40 40 VAL CA C 40 60.896 61.030 -0.134 1
1 441 . 5 1 1 A 40 40 VAL CB C 40 34.411 35.606 -1.195 1
1 444 . 5 1 1 A 40 40 VAL N N 40 130.939 126.301 4.638 1
1 445 . 5 1 1 A 41 41 LEU H H 41 8.714 8.393 0.321 1
1 446 . 5 1 1 A 41 41 LEU HA H 41 5.111 5.563 -0.452 1
1 456 . 5 1 1 A 41 41 LEU CA C 41 53.150 53.010 0.140 1
1 457 . 5 1 1 A 41 41 LEU CB C 41 42.538 45.185 -2.647 1
1 461 . 5 1 1 A 41 41 LEU N N 41 130.200 125.323 4.877 1
1 462 . 5 1 1 A 42 42 LYS H H 42 8.955 9.870 -0.915 1
1 463 . 5 1 1 A 42 42 LYS HA H 42 5.180 5.471 -0.291 1
1 472 . 5 1 1 A 42 42 LYS CA C 42 55.017 54.747 0.270 1
1 473 . 5 1 1 A 42 42 LYS CB C 42 36.649 34.359 2.290 1
1 477 . 5 1 1 A 42 42 LYS N N 42 124.155 123.099 1.056 1
1 478 . 5 1 1 A 43 43 VAL H H 43 7.515 8.119 -0.604 1
1 479 . 5 1 1 A 43 43 VAL HA H 43 4.360 4.448 -0.088 1
1 487 . 5 1 1 A 43 43 VAL CA C 43 61.230 60.991 0.239 1
1 488 . 5 1 1 A 43 43 VAL CB C 43 33.656 33.441 0.215 1
1 491 . 5 1 1 A 43 43 VAL N N 43 124.332 125.133 -0.801 1
1 492 . 5 1 1 A 44 44 GLU H H 44 8.092 8.221 -0.129 1
1 493 . 5 1 1 A 44 44 GLU HA H 44 4.368 4.721 -0.353 1
1 498 . 5 1 1 A 44 44 GLU CA C 44 55.445 54.272 1.173 1
1 499 . 5 1 1 A 44 44 GLU CB C 44 31.404 33.091 -1.687 1
1 501 . 5 1 1 A 44 44 GLU N N 44 130.594 126.018 4.576 1
1 502 . 5 1 1 A 45 45 LYS H H 45 8.982 8.655 0.327 1
1 503 . 5 1 1 A 45 45 LYS HA H 45 3.695 3.922 -0.227 1
1 512 . 5 1 1 A 45 45 LYS CA C 45 59.588 58.936 0.652 1
1 513 . 5 1 1 A 45 45 LYS CB C 45 30.077 32.077 -2.000 1
1 517 . 5 1 1 A 45 45 LYS N N 45 125.587 121.069 4.518 1
1 518 . 5 1 1 A 46 46 VAL H H 46 7.710 7.410 0.300 1
1 519 . 5 1 1 A 46 46 VAL HA H 46 4.346 4.001 0.345 1
1 527 . 5 1 1 A 46 46 VAL CA C 46 61.342 64.474 -3.132 1
1 528 . 5 1 1 A 46 46 VAL CB C 46 31.917 31.904 0.013 1
1 531 . 5 1 1 A 46 46 VAL N N 46 115.763 118.119 -2.356 1
1 532 . 5 1 1 A 47 47 THR H H 47 8.151 7.789 0.362 1
1 533 . 5 1 1 A 47 47 THR HA H 47 4.397 5.299 -0.902 1
1 538 . 5 1 1 A 47 47 THR CA C 47 63.072 61.084 1.988 1
1 539 . 5 1 1 A 47 47 THR CB C 47 69.615 72.050 -2.435 1
1 541 . 5 1 1 A 47 47 THR N N 47 120.888 111.940 8.948 1
1 542 . 5 1 1 A 48 48 HIS H H 48 8.753 8.727 0.026 1
1 543 . 5 1 1 A 48 48 HIS HA H 48 4.826 5.321 -0.495 1
1 547 . 5 1 1 A 48 48 HIS CA C 48 55.978 55.227 0.751 1
1 548 . 5 1 1 A 48 48 HIS CB C 48 30.476 31.267 -0.791 1
1 550 . 5 1 1 A 48 48 HIS N N 48 130.755 123.205 7.550 1
1 551 . 5 1 1 A 49 49 THR H H 49 9.136 8.452 0.684 1
1 552 . 5 1 1 A 49 49 THR HA H 49 5.245 5.075 0.170 1
1 557 . 5 1 1 A 49 49 THR CA C 49 60.941 61.205 -0.264 1
1 558 . 5 1 1 A 49 49 THR CB C 49 71.411 71.304 0.107 1
1 560 . 5 1 1 A 49 49 THR N N 49 118.522 117.424 1.098 1
1 561 . 5 1 1 A 50 50 SER H H 50 9.050 9.148 -0.098 1
1 562 . 5 1 1 A 50 50 SER HA H 50 5.348 5.846 -0.498 1
1 565 . 5 1 1 A 50 50 SER CA C 50 55.645 57.251 -1.606 1
1 566 . 5 1 1 A 50 50 SER CB C 50 66.579 66.166 0.413 1
1 567 . 5 1 1 A 50 50 SER N N 50 119.749 120.211 -0.462 1
1 568 . 5 1 1 A 51 51 ASP H H 51 8.843 9.386 -0.543 1
1 569 . 5 1 1 A 51 51 ASP HA H 51 5.363 5.734 -0.371 1
1 572 . 5 1 1 A 51 51 ASP CA C 51 52.879 52.173 0.706 1
1 573 . 5 1 1 A 51 51 ASP CB C 51 45.173 45.298 -0.125 1
1 574 . 5 1 1 A 51 51 ASP N N 51 126.330 119.907 6.423 1
1 575 . 5 1 1 A 52 52 ALA H H 52 8.938 8.988 -0.050 1
1 576 . 5 1 1 A 52 52 ALA HA H 52 5.777 5.156 0.621 1
1 580 . 5 1 1 A 52 52 ALA CA C 52 50.806 51.825 -1.019 1
1 581 . 5 1 1 A 52 52 ALA CB C 52 24.676 21.107 3.569 1
1 582 . 5 1 1 A 52 52 ALA N N 52 122.789 121.052 1.737 1
1 583 . 5 1 1 A 53 53 THR H H 53 8.666 8.684 -0.018 1
1 584 . 5 1 1 A 53 53 THR HA H 53 4.979 5.063 -0.084 1
1 589 . 5 1 1 A 53 53 THR CA C 53 62.026 61.647 0.379 1
1 590 . 5 1 1 A 53 53 THR CB C 53 70.850 69.246 1.604 1
1 592 . 5 1 1 A 53 53 THR N N 53 118.344 118.575 -0.231 1
1 593 . 5 1 1 A 54 54 LEU H H 54 9.662 8.961 0.701 1
1 594 . 5 1 1 A 54 54 LEU HA H 54 4.921 4.995 -0.074 1
1 604 . 5 1 1 A 54 54 LEU CA C 54 53.923 54.062 -0.139 1
1 605 . 5 1 1 A 54 54 LEU CB C 54 43.782 43.805 -0.023 1
1 609 . 5 1 1 A 54 54 LEU N N 54 129.166 127.593 1.573 1
1 610 . 5 1 1 A 55 55 HIS H H 55 8.956 9.159 -0.203 1
1 611 . 5 1 1 A 55 55 HIS HA H 55 4.882 5.161 -0.279 1
1 615 . 5 1 1 A 55 55 HIS CA C 55 56.326 55.061 1.265 1
1 616 . 5 1 1 A 55 55 HIS CB C 55 30.431 31.739 -1.308 1
1 618 . 5 1 1 A 55 55 HIS N N 55 126.094 121.958 4.136 1
1 619 . 5 1 1 A 56 56 VAL H H 56 8.151 8.778 -0.627 1
1 620 . 5 1 1 A 56 56 VAL HA H 56 4.856 4.585 0.271 1
1 628 . 5 1 1 A 56 56 VAL CA C 56 58.734 60.253 -1.519 1
1 629 . 5 1 1 A 56 56 VAL CB C 56 34.523 35.686 -1.163 1
1 632 . 5 1 1 A 56 56 VAL N N 56 120.242 121.545 -1.303 1
1 633 . 5 1 1 A 57 57 ASN H H 57 8.970 8.845 0.125 1
1 634 . 5 1 1 A 57 57 ASN HA H 57 4.463 4.333 0.130 1
1 637 . 5 1 1 A 57 57 ASN CA C 57 54.963 55.069 -0.106 1
1 638 . 5 1 1 A 57 57 ASN CB C 57 37.481 37.790 -0.309 1
1 639 . 5 1 1 A 57 57 ASN N N 57 124.652 125.070 -0.418 1
1 640 . 5 1 1 A 58 58 GLY H H 58 8.868 8.703 0.165 1
1 641 . 5 1 1 A 58 58 GLY HA2 H 58 3.814 4.043 -0.229 1
1 642 . 5 1 1 A 58 58 GLY HA3 H 58 4.152 4.044 0.108 1
1 643 . 5 1 1 A 58 58 GLY CA C 58 45.606 45.026 0.580 1
1 644 . 5 1 1 A 58 58 GLY N N 58 112.816 111.840 0.976 1
1 645 . 5 1 1 A 59 59 GLY H H 59 7.848 7.709 0.139 1
1 646 . 5 1 1 A 59 59 GLY HA2 H 59 3.978 3.983 -0.005 1
1 647 . 5 1 1 A 59 59 GLY HA3 H 59 4.153 4.006 0.147 1
1 648 . 5 1 1 A 59 59 GLY CA C 59 45.321 45.127 0.194 1
1 649 . 5 1 1 A 59 59 GLY N N 59 109.857 107.236 2.621 1
1 650 . 5 1 1 A 60 60 GLU H H 60 8.262 8.654 -0.392 1
1 651 . 5 1 1 A 60 60 GLU HA H 60 5.110 4.986 0.124 1
1 656 . 5 1 1 A 60 60 GLU CA C 60 54.756 54.736 0.020 1
1 657 . 5 1 1 A 60 60 GLU CB C 60 32.933 33.250 -0.317 1
1 659 . 5 1 1 A 60 60 GLU N N 60 121.732 120.457 1.275 1
1 660 . 5 1 1 A 61 61 ILE H H 61 8.764 8.659 0.105 1
1 661 . 5 1 1 A 61 61 ILE HA H 61 4.286 4.839 -0.553 1
1 671 . 5 1 1 A 61 61 ILE CA C 61 59.713 60.201 -0.488 1
1 672 . 5 1 1 A 61 61 ILE CB C 61 41.194 39.549 1.645 1
1 676 . 5 1 1 A 61 61 ILE N N 61 124.817 124.106 0.711 1
1 677 . 5 1 1 A 62 62 HIS H H 62 8.907 8.882 0.025 1
1 678 . 5 1 1 A 62 62 HIS HA H 62 5.743 5.226 0.517 1
1 682 . 5 1 1 A 62 62 HIS CA C 62 54.009 53.589 0.420 1
1 683 . 5 1 1 A 62 62 HIS CB C 62 32.365 33.104 -0.739 1
1 685 . 5 1 1 A 62 62 HIS N N 62 127.338 126.891 0.447 1
1 686 . 5 1 1 A 63 63 ALA H H 63 8.298 8.984 -0.686 1
1 687 . 5 1 1 A 63 63 ALA HA H 63 4.480 5.190 -0.710 1
1 691 . 5 1 1 A 63 63 ALA CA C 63 51.764 50.168 1.596 1
1 692 . 5 1 1 A 63 63 ALA CB C 63 23.678 23.195 0.483 1
1 693 . 5 1 1 A 63 63 ALA N N 63 125.511 130.423 -4.912 1
1 694 . 5 1 1 A 64 64 SER H H 64 8.070 8.742 -0.672 1
1 695 . 5 1 1 A 64 64 SER HA H 64 5.286 5.252 0.034 1
1 698 . 5 1 1 A 64 64 SER CA C 64 56.782 56.881 -0.099 1
1 699 . 5 1 1 A 64 64 SER CB C 64 65.895 65.917 -0.022 1
1 700 . 5 1 1 A 64 64 SER N N 64 114.469 114.638 -0.169 1
1 701 . 5 1 1 A 65 65 ALA H H 65 8.904 9.163 -0.259 1
1 702 . 5 1 1 A 65 65 ALA HA H 65 4.669 5.176 -0.507 1
1 706 . 5 1 1 A 65 65 ALA CA C 65 51.753 50.869 0.884 1
1 707 . 5 1 1 A 65 65 ALA CB C 65 22.599 24.408 -1.809 1
1 708 . 5 1 1 A 65 65 ALA N N 65 126.977 124.442 2.535 1
1 709 . 5 1 1 A 66 66 GLU H H 66 8.200 9.114 -0.914 1
1 710 . 5 1 1 A 66 66 GLU HA H 66 5.680 5.357 0.323 1
1 715 . 5 1 1 A 66 66 GLU CA C 66 53.650 54.545 -0.895 1
1 716 . 5 1 1 A 66 66 GLU CB C 66 33.741 34.070 -0.329 1
1 718 . 5 1 1 A 66 66 GLU N N 66 119.267 117.157 2.110 1
1 719 . 5 1 1 A 67 67 GLY H H 67 8.836 8.074 0.762 1
1 720 . 5 1 1 A 67 67 GLY HA2 H 67 4.490 4.216 0.274 1
1 721 . 5 1 1 A 67 67 GLY HA3 H 67 3.728 4.228 -0.500 1
1 722 . 5 1 1 A 67 67 GLY CA C 67 45.157 45.433 -0.276 1
1 723 . 5 1 1 A 67 67 GLY N N 67 108.048 106.624 1.424 1
1 724 . 5 1 1 A 68 68 GLN H H 68 8.997 8.664 0.333 1
1 725 . 5 1 1 A 68 68 GLN HA H 68 4.440 3.976 0.464 1
1 730 . 5 1 1 A 68 68 GLN CA C 68 56.996 57.882 -0.886 1
1 731 . 5 1 1 A 68 68 GLN CB C 68 28.694 28.756 -0.062 1
1 733 . 5 1 1 A 68 68 GLN N N 68 119.961 119.445 0.516 1
1 734 . 5 1 1 A 69 69 ASP H H 69 7.542 7.399 0.143 1
1 735 . 5 1 1 A 69 69 ASP HA H 69 3.242 3.484 -0.242 1
1 738 . 5 1 1 A 69 69 ASP CA C 69 51.838 52.289 -0.451 1
1 739 . 5 1 1 A 69 69 ASP CB C 69 42.829 42.352 0.477 1
1 740 . 5 1 1 A 69 69 ASP N N 69 115.279 113.911 1.368 1
1 741 . 5 1 1 A 70 70 MET H H 70 8.409 8.614 -0.205 1
1 742 . 5 1 1 A 70 70 MET HA H 70 4.200 4.272 -0.072 1
1 747 . 5 1 1 A 70 70 MET CA C 70 56.505 58.958 -2.453 1
1 748 . 5 1 1 A 70 70 MET CB C 70 31.533 31.937 -0.404 1
1 750 . 5 1 1 A 70 70 MET N N 70 120.495 118.337 2.158 1
1 751 . 5 1 1 A 71 71 TYR H H 71 7.304 7.852 -0.548 1
1 752 . 5 1 1 A 71 71 TYR HA H 71 3.832 4.198 -0.366 1
1 757 . 5 1 1 A 71 71 TYR CA C 71 60.141 60.904 -0.763 1
1 758 . 5 1 1 A 71 71 TYR CB C 71 35.788 37.118 -1.330 1
1 761 . 5 1 1 A 71 71 TYR N N 71 120.024 118.517 1.507 1
1 762 . 5 1 1 A 72 72 ALA H H 72 8.474 8.491 -0.017 1
1 763 . 5 1 1 A 72 72 ALA HA H 72 4.213 3.973 0.240 1
1 767 . 5 1 1 A 72 72 ALA CA C 72 54.526 55.178 -0.652 1
1 768 . 5 1 1 A 72 72 ALA CB C 72 18.884 18.391 0.493 1
1 769 . 5 1 1 A 72 72 ALA N N 72 123.384 122.243 1.141 1
1 770 . 5 1 1 A 73 73 ALA H H 73 7.595 8.014 -0.419 1
1 771 . 5 1 1 A 73 73 ALA HA H 73 3.731 4.153 -0.422 1
1 775 . 5 1 1 A 73 73 ALA CA C 73 55.647 54.708 0.939 1
1 776 . 5 1 1 A 73 73 ALA CB C 73 17.460 18.649 -1.189 1
1 777 . 5 1 1 A 73 73 ALA N N 73 123.415 120.344 3.071 1
1 778 . 5 1 1 A 74 74 ILE H H 74 7.958 7.566 0.392 1
1 779 . 5 1 1 A 74 74 ILE HA H 74 3.692 3.796 -0.104 1
1 789 . 5 1 1 A 74 74 ILE CA C 74 63.902 64.927 -1.025 1
1 790 . 5 1 1 A 74 74 ILE CB C 74 37.010 37.184 -0.174 1
1 794 . 5 1 1 A 74 74 ILE N N 74 119.834 119.650 0.184 1
1 795 . 5 1 1 A 75 75 ASP H H 75 8.468 8.401 0.067 1
1 796 . 5 1 1 A 75 75 ASP HA H 75 4.282 4.363 -0.081 1
1 799 . 5 1 1 A 75 75 ASP CA C 75 58.107 57.248 0.859 1
1 800 . 5 1 1 A 75 75 ASP CB C 75 40.628 40.717 -0.089 1
1 801 . 5 1 1 A 75 75 ASP N N 75 122.091 121.997 0.094 1
1 802 . 5 1 1 A 76 76 GLY H H 76 8.041 8.093 -0.052 1
1 803 . 5 1 1 A 76 76 GLY HA2 H 76 3.845 3.687 0.158 1
1 804 . 5 1 1 A 76 76 GLY HA3 H 76 3.863 3.688 0.175 1
1 805 . 5 1 1 A 76 76 GLY CA C 76 46.668 47.366 -0.698 1
1 806 . 5 1 1 A 76 76 GLY N N 76 108.081 107.683 0.398 1
1 807 . 5 1 1 A 77 77 LEU H H 77 8.088 8.231 -0.143 1
1 808 . 5 1 1 A 77 77 LEU HA H 77 3.709 4.188 -0.479 1
1 818 . 5 1 1 A 77 77 LEU CA C 77 57.865 57.191 0.674 1
1 819 . 5 1 1 A 77 77 LEU CB C 77 41.828 41.672 0.156 1
1 823 . 5 1 1 A 77 77 LEU N N 77 126.711 122.947 3.764 1
1 824 . 5 1 1 A 78 78 ILE H H 78 8.155 8.061 0.094 1
1 825 . 5 1 1 A 78 78 ILE HA H 78 3.316 3.838 -0.522 1
1 835 . 5 1 1 A 78 78 ILE CA C 78 62.813 62.622 0.191 1
1 836 . 5 1 1 A 78 78 ILE CB C 78 34.810 37.716 -2.906 1
1 840 . 5 1 1 A 78 78 ILE N N 78 120.409 119.169 1.240 1
1 841 . 5 1 1 A 79 79 ASP H H 79 7.408 7.855 -0.447 1
1 842 . 5 1 1 A 79 79 ASP HA H 79 4.274 4.340 -0.066 1
1 845 . 5 1 1 A 79 79 ASP CA C 79 57.605 57.248 0.357 1
1 846 . 5 1 1 A 79 79 ASP CB C 79 41.017 41.231 -0.214 1
1 847 . 5 1 1 A 79 79 ASP N N 79 120.497 122.460 -1.963 1
1 848 . 5 1 1 A 80 80 LYS H H 80 7.536 7.958 -0.422 1
1 849 . 5 1 1 A 80 80 LYS HA H 80 3.931 4.068 -0.137 1
1 858 . 5 1 1 A 80 80 LYS CA C 80 59.952 59.012 0.940 1
1 859 . 5 1 1 A 80 80 LYS CB C 80 33.221 31.648 1.573 1
1 863 . 5 1 1 A 80 80 LYS N N 80 119.684 118.137 1.547 1
1 864 . 5 1 1 A 81 81 LEU H H 81 8.473 7.753 0.720 1
1 865 . 5 1 1 A 81 81 LEU HA H 81 3.765 3.975 -0.210 1
1 875 . 5 1 1 A 81 81 LEU CA C 81 57.564 57.756 -0.192 1
1 876 . 5 1 1 A 81 81 LEU CB C 81 42.473 41.719 0.754 1
1 880 . 5 1 1 A 81 81 LEU N N 81 121.519 120.906 0.613 1
1 881 . 5 1 1 A 82 82 ALA H H 82 8.682 8.210 0.472 1
1 882 . 5 1 1 A 82 82 ALA HA H 82 3.479 4.367 -0.888 1
1 886 . 5 1 1 A 82 82 ALA CA C 82 55.731 55.905 -0.174 1
1 887 . 5 1 1 A 82 82 ALA CB C 82 17.388 18.286 -0.898 1
1 888 . 5 1 1 A 82 82 ALA N N 82 123.814 121.451 2.363 1
1 889 . 5 1 1 A 83 83 ARG H H 83 7.329 7.832 -0.503 1
1 890 . 5 1 1 A 83 83 ARG HA H 83 3.981 4.239 -0.258 1
1 897 . 5 1 1 A 83 83 ARG CA C 83 59.137 59.739 -0.602 1
1 898 . 5 1 1 A 83 83 ARG CB C 83 29.971 30.164 -0.193 1
1 901 . 5 1 1 A 83 83 ARG N N 83 118.219 117.806 0.413 1
1 902 . 5 1 1 A 84 84 GLN H H 84 7.750 7.662 0.088 1
1 903 . 5 1 1 A 84 84 GLN HA H 84 4.047 4.115 -0.068 1
1 906 . 5 1 1 A 84 84 GLN CA C 84 58.685 58.412 0.273 1
1 907 . 5 1 1 A 84 84 GLN CB C 84 29.903 28.569 1.334 1
1 909 . 5 1 1 A 84 84 GLN N N 84 119.887 119.322 0.565 1
1 910 . 5 1 1 A 85 85 LEU H H 85 8.610 8.503 0.107 1
1 911 . 5 1 1 A 85 85 LEU HA H 85 3.788 3.801 -0.013 1
1 920 . 5 1 1 A 85 85 LEU CA C 85 57.600 57.502 0.098 1
1 921 . 5 1 1 A 85 85 LEU CB C 85 41.178 40.944 0.234 1
1 925 . 5 1 1 A 85 85 LEU N N 85 122.951 120.100 2.851 1
1 926 . 5 1 1 A 86 86 THR H H 86 7.709 8.366 -0.657 1
1 927 . 5 1 1 A 86 86 THR HA H 86 4.056 4.082 -0.026 1
1 932 . 5 1 1 A 86 86 THR CA C 86 65.924 66.136 -0.212 1
1 933 . 5 1 1 A 86 86 THR CB C 86 68.870 68.509 0.361 1
1 935 . 5 1 1 A 86 86 THR N N 86 116.282 110.789 5.493 1
1 936 . 5 1 1 A 87 87 LYS H H 87 7.457 7.902 -0.445 1
1 937 . 5 1 1 A 87 87 LYS HA H 87 4.102 4.042 0.060 1
1 946 . 5 1 1 A 87 87 LYS CA C 87 58.289 59.448 -1.159 1
1 947 . 5 1 1 A 87 87 LYS CB C 87 32.293 32.509 -0.216 1
1 951 . 5 1 1 A 87 87 LYS N N 87 122.670 122.757 -0.087 1
1 952 . 5 1 1 A 88 88 HIS H H 88 7.928 8.107 -0.179 1
1 953 . 5 1 1 A 88 88 HIS HA H 88 4.301 4.290 0.011 1
1 957 . 5 1 1 A 88 88 HIS CA C 88 58.361 58.875 -0.514 1
1 958 . 5 1 1 A 88 88 HIS CB C 88 30.766 28.696 2.070 1
1 960 . 5 1 1 A 88 88 HIS N N 88 121.382 117.509 3.873 1
1 961 . 5 1 1 A 89 89 LYS H H 89 7.928 7.575 0.353 1
1 962 . 5 1 1 A 89 89 LYS HA H 89 3.934 3.939 -0.005 1
1 971 . 5 1 1 A 89 89 LYS CA C 89 58.568 58.371 0.197 1
1 972 . 5 1 1 A 89 89 LYS CB C 89 32.489 31.013 1.476 1
1 976 . 5 1 1 A 89 89 LYS N N 89 121.821 118.480 3.341 1
1 977 . 5 1 1 A 90 90 ASP H H 90 8.143 7.948 0.195 1
1 978 . 5 1 1 A 90 90 ASP HA H 90 4.445 4.354 0.091 1
1 981 . 5 1 1 A 90 90 ASP CA C 90 55.869 57.490 -1.621 1
1 982 . 5 1 1 A 90 90 ASP CB C 90 40.715 41.149 -0.434 1
1 983 . 5 1 1 A 90 90 ASP N N 90 121.199 120.548 0.651 1
1 984 . 5 1 1 A 91 91 LYS H H 91 7.867 8.380 -0.513 1
1 985 . 5 1 1 A 91 91 LYS HA H 91 4.130 4.119 0.011 1
1 994 . 5 1 1 A 91 91 LYS CA C 91 57.421 59.032 -1.611 1
1 995 . 5 1 1 A 91 91 LYS CB C 91 32.365 31.919 0.446 1
1 999 . 5 1 1 A 91 91 LYS N N 91 121.976 117.498 4.478 1
1 1000 . 5 1 1 A 92 92 LEU H H 92 7.709 7.861 -0.152 1
1 1001 . 5 1 1 A 92 92 LEU HA H 92 4.171 4.649 -0.478 1
1 1011 . 5 1 1 A 92 92 LEU CA C 92 55.449 54.612 0.837 1
1 1012 . 5 1 1 A 92 92 LEU CB C 92 41.871 42.136 -0.265 1
1 1016 . 5 1 1 A 92 92 LEU N N 92 121.802 119.173 2.629 1
1 1017 . 5 1 1 A 93 93 LYS H H 93 7.751 8.083 -0.332 1
1 1018 . 5 1 1 A 93 93 LYS HA H 93 4.197 4.591 -0.394 1
1 1027 . 5 1 1 A 93 93 LYS CA C 93 56.420 57.052 -0.632 1
1 1028 . 5 1 1 A 93 93 LYS CB C 93 32.792 34.482 -1.690 1
1 1032 . 5 1 1 A 93 93 LYS N N 93 121.954 119.711 2.243 1
1 1033 . 5 1 1 A 94 94 GLN H H 94 8.129 7.657 0.472 1
1 1034 . 5 1 1 A 94 94 GLN HA H 94 4.208 4.770 -0.562 1
1 1039 . 5 1 1 A 94 94 GLN CA C 94 55.891 54.338 1.553 1
1 1040 . 5 1 1 A 94 94 GLN CB C 94 29.236 31.193 -1.957 1
1 1042 . 5 1 1 A 94 94 GLN N N 94 123.165 113.879 9.286 1
1 1 . 6 1 1 A 2 2 GLN H H 2 7.809 7.564 0.245 1
1 2 . 6 1 1 A 2 2 GLN HA H 2 4.394 4.415 -0.021 1
1 7 . 6 1 1 A 2 2 GLN CA C 2 55.124 56.160 -1.036 1
1 8 . 6 1 1 A 2 2 GLN CB C 2 30.385 29.253 1.132 1
1 10 . 6 1 1 A 2 2 GLN N N 2 126.586 113.882 12.704 1
1 11 . 6 1 1 A 3 3 LEU H H 3 8.598 8.038 0.560 1
1 12 . 6 1 1 A 3 3 LEU HA H 3 4.380 5.181 -0.801 1
1 22 . 6 1 1 A 3 3 LEU CA C 3 54.590 52.560 2.030 1
1 23 . 6 1 1 A 3 3 LEU CB C 3 43.701 45.257 -1.556 1
1 27 . 6 1 1 A 3 3 LEU N N 3 128.942 119.149 9.793 1
1 28 . 6 1 1 A 4 4 ASN H H 4 8.227 9.212 -0.985 1
1 29 . 6 1 1 A 4 4 ASN HA H 4 4.864 5.501 -0.637 1
1 32 . 6 1 1 A 4 4 ASN CA C 4 52.628 51.614 1.014 1
1 33 . 6 1 1 A 4 4 ASN CB C 4 41.258 42.216 -0.958 1
1 34 . 6 1 1 A 4 4 ASN N N 4 127.137 120.749 6.388 1
1 35 . 6 1 1 A 5 5 ILE H H 5 8.659 8.857 -0.198 1
1 36 . 6 1 1 A 5 5 ILE HA H 5 4.901 5.031 -0.130 1
1 46 . 6 1 1 A 5 5 ILE CA C 5 60.288 60.264 0.024 1
1 47 . 6 1 1 A 5 5 ILE CB C 5 40.902 39.749 1.153 1
1 51 . 6 1 1 A 5 5 ILE N N 5 126.355 126.550 -0.195 1
1 52 . 6 1 1 A 6 6 THR H H 6 8.796 8.773 0.023 1
1 53 . 6 1 1 A 6 6 THR HA H 6 4.654 4.856 -0.202 1
1 58 . 6 1 1 A 6 6 THR CA C 6 60.751 61.209 -0.458 1
1 59 . 6 1 1 A 6 6 THR CB C 6 71.993 71.421 0.572 1
1 61 . 6 1 1 A 6 6 THR N N 6 123.546 121.906 1.640 1
1 62 . 6 1 1 A 7 7 GLY H H 7 8.833 9.098 -0.265 1
1 63 . 6 1 1 A 7 7 GLY HA2 H 7 3.764 4.328 -0.564 1
1 64 . 6 1 1 A 7 7 GLY HA3 H 7 5.071 4.337 0.734 1
1 65 . 6 1 1 A 7 7 GLY CA C 7 44.318 44.369 -0.051 1
1 66 . 6 1 1 A 7 7 GLY N N 7 112.240 114.043 -1.803 1
1 67 . 6 1 1 A 8 8 ASN H H 8 8.962 8.738 0.224 1
1 68 . 6 1 1 A 8 8 ASN HA H 8 4.828 4.824 0.004 1
1 71 . 6 1 1 A 8 8 ASN CA C 8 52.799 52.967 -0.168 1
1 72 . 6 1 1 A 8 8 ASN CB C 8 39.244 38.184 1.060 1
1 73 . 6 1 1 A 8 8 ASN N N 8 124.384 119.902 4.482 1
1 74 . 6 1 1 A 9 9 ASN H H 9 8.756 9.050 -0.294 1
1 75 . 6 1 1 A 9 9 ASN HA H 9 4.248 4.313 -0.065 1
1 78 . 6 1 1 A 9 9 ASN CA C 9 53.998 54.150 -0.152 1
1 79 . 6 1 1 A 9 9 ASN CB C 9 37.231 37.316 -0.085 1
1 80 . 6 1 1 A 9 9 ASN N N 9 120.082 118.213 1.869 1
1 81 . 6 1 1 A 10 10 VAL H H 10 6.825 7.430 -0.605 1
1 82 . 6 1 1 A 10 10 VAL HA H 10 4.097 4.632 -0.535 1
1 90 . 6 1 1 A 10 10 VAL CA C 10 60.425 60.809 -0.384 1
1 91 . 6 1 1 A 10 10 VAL CB C 10 34.765 35.921 -1.156 1
1 94 . 6 1 1 A 10 10 VAL N N 10 115.342 117.686 -2.344 1
1 95 . 6 1 1 A 11 11 GLU H H 11 8.347 8.721 -0.374 1
1 96 . 6 1 1 A 11 11 GLU HA H 11 4.174 4.770 -0.596 1
1 101 . 6 1 1 A 11 11 GLU CA C 11 55.442 55.748 -0.306 1
1 102 . 6 1 1 A 11 11 GLU CB C 11 30.114 31.169 -1.055 1
1 104 . 6 1 1 A 11 11 GLU N N 11 129.115 127.182 1.933 1
1 105 . 6 1 1 A 12 12 ILE H H 12 8.942 8.719 0.223 1
1 106 . 6 1 1 A 12 12 ILE HA H 12 4.034 4.425 -0.391 1
1 116 . 6 1 1 A 12 12 ILE CA C 12 58.894 61.232 -2.338 1
1 117 . 6 1 1 A 12 12 ILE CB C 12 33.240 37.095 -3.855 1
1 121 . 6 1 1 A 12 12 ILE N N 12 128.622 127.291 1.331 1
1 122 . 6 1 1 A 13 13 THR H H 13 6.818 8.262 -1.444 1
1 123 . 6 1 1 A 13 13 THR HA H 13 4.429 4.840 -0.411 1
1 128 . 6 1 1 A 13 13 THR CA C 13 60.052 59.569 0.483 1
1 129 . 6 1 1 A 13 13 THR CB C 13 70.842 71.711 -0.869 1
1 131 . 6 1 1 A 13 13 THR N N 13 119.687 118.799 0.888 1
1 132 . 6 1 1 A 14 14 GLU H H 14 8.969 9.054 -0.085 1
1 133 . 6 1 1 A 14 14 GLU HA H 14 4.024 4.092 -0.068 1
1 138 . 6 1 1 A 14 14 GLU CA C 14 59.794 59.431 0.363 1
1 139 . 6 1 1 A 14 14 GLU CB C 14 28.845 29.169 -0.324 1
1 141 . 6 1 1 A 14 14 GLU N N 14 123.290 122.021 1.269 1
1 142 . 6 1 1 A 15 15 ALA H H 15 8.334 7.840 0.494 1
1 143 . 6 1 1 A 15 15 ALA HA H 15 4.151 4.198 -0.047 1
1 147 . 6 1 1 A 15 15 ALA CA C 15 55.076 55.298 -0.222 1
1 148 . 6 1 1 A 15 15 ALA CB C 15 18.008 18.364 -0.356 1
1 149 . 6 1 1 A 15 15 ALA N N 15 121.958 122.583 -0.625 1
1 150 . 6 1 1 A 16 16 LEU H H 16 7.765 8.027 -0.262 1
1 151 . 6 1 1 A 16 16 LEU HA H 16 4.240 4.269 -0.029 1
1 161 . 6 1 1 A 16 16 LEU CA C 16 57.674 58.228 -0.554 1
1 162 . 6 1 1 A 16 16 LEU CB C 16 42.122 41.834 0.288 1
1 166 . 6 1 1 A 16 16 LEU N N 16 123.064 119.648 3.416 1
1 167 . 6 1 1 A 17 17 ARG H H 17 8.627 8.731 -0.104 1
1 168 . 6 1 1 A 17 17 ARG HA H 17 3.595 4.056 -0.461 1
1 175 . 6 1 1 A 17 17 ARG CA C 17 60.573 59.183 1.390 1
1 176 . 6 1 1 A 17 17 ARG CB C 17 29.679 30.198 -0.519 1
1 179 . 6 1 1 A 17 17 ARG N N 17 121.878 118.113 3.765 1
1 180 . 6 1 1 A 18 18 GLU H H 18 8.665 8.376 0.289 1
1 181 . 6 1 1 A 18 18 GLU HA H 18 3.952 4.089 -0.137 1
1 186 . 6 1 1 A 18 18 GLU CA C 18 59.654 59.325 0.329 1
1 187 . 6 1 1 A 18 18 GLU CB C 18 29.301 29.532 -0.231 1
1 189 . 6 1 1 A 18 18 GLU N N 18 123.257 119.723 3.534 1
1 190 . 6 1 1 A 19 19 PHE H H 19 8.026 8.825 -0.799 1
1 191 . 6 1 1 A 19 19 PHE HA H 19 4.258 4.170 0.088 1
1 195 . 6 1 1 A 19 19 PHE CA C 19 61.640 61.188 0.452 1
1 196 . 6 1 1 A 19 19 PHE CB C 19 39.547 39.087 0.460 1
1 198 . 6 1 1 A 19 19 PHE N N 19 123.888 121.241 2.647 1
1 199 . 6 1 1 A 20 20 VAL H H 20 8.734 8.033 0.701 1
1 200 . 6 1 1 A 20 20 VAL HA H 20 3.336 3.618 -0.282 1
1 208 . 6 1 1 A 20 20 VAL CA C 20 67.245 66.542 0.703 1
1 209 . 6 1 1 A 20 20 VAL CB C 20 31.965 31.900 0.065 1
1 212 . 6 1 1 A 20 20 VAL N N 20 119.762 118.811 0.951 1
1 213 . 6 1 1 A 21 21 THR H H 21 8.213 8.262 -0.049 1
1 214 . 6 1 1 A 21 21 THR HA H 21 3.615 3.987 -0.372 1
1 218 . 6 1 1 A 21 21 THR CA C 21 67.657 66.363 1.294 1
1 219 . 6 1 1 A 21 21 THR CB C 21 68.697 68.303 0.394 1
1 221 . 6 1 1 A 21 21 THR N N 21 117.446 115.173 2.273 1
1 222 . 6 1 1 A 22 22 ALA H H 22 8.050 8.831 -0.781 1
1 223 . 6 1 1 A 22 22 ALA HA H 22 4.084 3.985 0.099 1
1 227 . 6 1 1 A 22 22 ALA CA C 22 54.998 55.580 -0.582 1
1 228 . 6 1 1 A 22 22 ALA CB C 22 17.880 18.618 -0.738 1
1 229 . 6 1 1 A 22 22 ALA N N 22 125.291 123.279 2.012 1
1 230 . 6 1 1 A 23 23 LYS H H 23 7.868 7.572 0.296 1
1 231 . 6 1 1 A 23 23 LYS HA H 23 3.886 3.898 -0.012 1
1 240 . 6 1 1 A 23 23 LYS CA C 23 57.286 59.042 -1.756 1
1 241 . 6 1 1 A 23 23 LYS CB C 23 30.651 32.298 -1.647 1
1 245 . 6 1 1 A 23 23 LYS N N 23 119.332 117.500 1.832 1
1 246 . 6 1 1 A 24 24 PHE H H 24 8.369 8.280 0.089 1
1 247 . 6 1 1 A 24 24 PHE HA H 24 3.805 4.404 -0.599 1
1 252 . 6 1 1 A 24 24 PHE CA C 24 62.055 60.311 1.744 1
1 253 . 6 1 1 A 24 24 PHE CB C 24 38.744 38.743 0.001 1
1 256 . 6 1 1 A 24 24 PHE N N 24 119.142 118.256 0.886 1
1 257 . 6 1 1 A 25 25 ALA H H 25 7.879 8.436 -0.557 1
1 258 . 6 1 1 A 25 25 ALA HA H 25 4.140 4.122 0.018 1
1 262 . 6 1 1 A 25 25 ALA CA C 25 55.014 55.290 -0.276 1
1 263 . 6 1 1 A 25 25 ALA CB C 25 17.773 18.273 -0.500 1
1 264 . 6 1 1 A 25 25 ALA N N 25 123.500 121.647 1.853 1
1 265 . 6 1 1 A 26 26 LYS H H 26 7.217 7.616 -0.399 1
1 266 . 6 1 1 A 26 26 LYS HA H 26 4.024 3.869 0.155 1
1 275 . 6 1 1 A 26 26 LYS CA C 26 58.189 58.896 -0.707 1
1 276 . 6 1 1 A 26 26 LYS CB C 26 32.033 32.107 -0.074 1
1 280 . 6 1 1 A 26 26 LYS N N 26 118.541 118.468 0.073 1
1 281 . 6 1 1 A 27 27 LEU H H 27 7.773 7.721 0.052 1
1 282 . 6 1 1 A 27 27 LEU HA H 27 4.257 3.326 0.931 1
1 292 . 6 1 1 A 27 27 LEU CA C 27 55.889 56.244 -0.355 1
1 293 . 6 1 1 A 27 27 LEU CB C 27 41.083 41.744 -0.661 1
1 297 . 6 1 1 A 27 27 LEU N N 27 118.340 119.399 -1.059 1
1 298 . 6 1 1 A 28 28 GLU H H 28 7.296 8.352 -1.056 1
1 299 . 6 1 1 A 28 28 GLU HA H 28 3.489 4.274 -0.785 1
1 304 . 6 1 1 A 28 28 GLU CA C 28 58.336 58.670 -0.334 1
1 305 . 6 1 1 A 28 28 GLU CB C 28 29.265 29.603 -0.338 1
1 307 . 6 1 1 A 28 28 GLU N N 28 119.557 120.209 -0.652 1
1 308 . 6 1 1 A 29 29 GLN H H 29 7.783 7.644 0.139 1
1 309 . 6 1 1 A 29 29 GLN HA H 29 3.923 3.967 -0.044 1
1 314 . 6 1 1 A 29 29 GLN CA C 29 57.387 58.324 -0.937 1
1 315 . 6 1 1 A 29 29 GLN CB C 29 28.082 28.591 -0.509 1
1 317 . 6 1 1 A 29 29 GLN N N 29 117.927 118.937 -1.010 1
1 318 . 6 1 1 A 30 30 TYR H H 30 7.731 6.913 0.818 1
1 319 . 6 1 1 A 30 30 TYR HA H 30 4.433 4.461 -0.028 1
1 324 . 6 1 1 A 30 30 TYR CA C 30 58.371 57.797 0.574 1
1 325 . 6 1 1 A 30 30 TYR CB C 30 39.297 38.453 0.844 1
1 328 . 6 1 1 A 30 30 TYR N N 30 118.639 118.533 0.106 1
1 329 . 6 1 1 A 31 31 PHE H H 31 7.652 7.184 0.468 1
1 330 . 6 1 1 A 31 31 PHE HA H 31 4.605 5.128 -0.523 1
1 334 . 6 1 1 A 31 31 PHE CA C 31 58.507 56.413 2.094 1
1 335 . 6 1 1 A 31 31 PHE CB C 31 40.438 41.100 -0.662 1
1 337 . 6 1 1 A 31 31 PHE N N 31 119.753 119.907 -0.154 1
1 338 . 6 1 1 A 32 32 ASP H H 32 8.087 8.820 -0.733 1
1 339 . 6 1 1 A 32 32 ASP HA H 32 4.465 5.069 -0.604 1
1 342 . 6 1 1 A 32 32 ASP CA C 32 55.094 53.893 1.201 1
1 343 . 6 1 1 A 32 32 ASP CB C 32 40.511 41.369 -0.858 1
1 344 . 6 1 1 A 32 32 ASP N N 32 121.865 123.514 -1.649 1
1 345 . 6 1 1 A 33 33 ARG H H 33 7.083 7.882 -0.799 1
1 346 . 6 1 1 A 33 33 ARG HA H 33 4.412 4.537 -0.125 1
1 353 . 6 1 1 A 33 33 ARG CA C 33 55.082 55.446 -0.364 1
1 354 . 6 1 1 A 33 33 ARG CB C 33 30.409 29.558 0.851 1
1 357 . 6 1 1 A 33 33 ARG N N 33 119.603 118.435 1.168 1
1 358 . 6 1 1 A 34 34 ILE H H 34 8.139 7.981 0.158 1
1 359 . 6 1 1 A 34 34 ILE HA H 34 4.051 4.884 -0.833 1
1 369 . 6 1 1 A 34 34 ILE CA C 34 61.543 60.380 1.163 1
1 370 . 6 1 1 A 34 34 ILE CB C 34 39.510 40.907 -1.397 1
1 374 . 6 1 1 A 34 34 ILE N N 34 123.576 124.006 -0.430 1
1 375 . 6 1 1 A 35 35 ASN H H 35 8.560 8.852 -0.292 1
1 376 . 6 1 1 A 35 35 ASN HA H 35 4.870 4.917 -0.047 1
1 379 . 6 1 1 A 35 35 ASN CA C 35 53.877 54.033 -0.156 1
1 380 . 6 1 1 A 35 35 ASN CB C 35 38.806 39.505 -0.699 1
1 381 . 6 1 1 A 35 35 ASN N N 35 126.934 121.298 5.636 1
1 382 . 6 1 1 A 36 36 GLN H H 36 7.843 7.833 0.010 1
1 383 . 6 1 1 A 36 36 GLN HA H 36 4.519 4.860 -0.341 1
1 388 . 6 1 1 A 36 36 GLN CA C 36 56.345 54.318 2.027 1
1 389 . 6 1 1 A 36 36 GLN CB C 36 31.240 31.332 -0.092 1
1 391 . 6 1 1 A 36 36 GLN N N 36 120.673 118.029 2.644 1
1 392 . 6 1 1 A 37 37 VAL H H 37 8.330 8.555 -0.225 1
1 393 . 6 1 1 A 37 37 VAL HA H 37 4.693 4.904 -0.211 1
1 401 . 6 1 1 A 37 37 VAL CA C 37 60.789 59.776 1.013 1
1 402 . 6 1 1 A 37 37 VAL CB C 37 34.740 34.442 0.298 1
1 405 . 6 1 1 A 37 37 VAL N N 37 123.403 121.442 1.961 1
1 406 . 6 1 1 A 38 38 TYR H H 38 8.943 8.040 0.903 1
1 407 . 6 1 1 A 38 38 TYR HA H 38 5.039 6.013 -0.974 1
1 412 . 6 1 1 A 38 38 TYR CA C 38 57.028 55.321 1.707 1
1 413 . 6 1 1 A 38 38 TYR CB C 38 39.705 42.685 -2.980 1
1 416 . 6 1 1 A 38 38 TYR N N 38 129.202 120.420 8.782 1
1 417 . 6 1 1 A 39 39 VAL H H 39 9.053 8.471 0.582 1
1 418 . 6 1 1 A 39 39 VAL HA H 39 5.048 5.059 -0.011 1
1 426 . 6 1 1 A 39 39 VAL CA C 39 60.685 60.564 0.121 1
1 427 . 6 1 1 A 39 39 VAL CB C 39 34.107 35.733 -1.626 1
1 430 . 6 1 1 A 39 39 VAL N N 39 127.771 121.343 6.428 1
1 431 . 6 1 1 A 40 40 VAL H H 40 9.276 8.646 0.630 1
1 432 . 6 1 1 A 40 40 VAL HA H 40 4.862 5.353 -0.491 1
1 440 . 6 1 1 A 40 40 VAL CA C 40 60.896 61.071 -0.175 1
1 441 . 6 1 1 A 40 40 VAL CB C 40 34.411 35.593 -1.182 1
1 444 . 6 1 1 A 40 40 VAL N N 40 130.939 126.284 4.655 1
1 445 . 6 1 1 A 41 41 LEU H H 41 8.714 8.877 -0.163 1
1 446 . 6 1 1 A 41 41 LEU HA H 41 5.111 5.590 -0.479 1
1 456 . 6 1 1 A 41 41 LEU CA C 41 53.150 53.002 0.148 1
1 457 . 6 1 1 A 41 41 LEU CB C 41 42.538 45.295 -2.757 1
1 461 . 6 1 1 A 41 41 LEU N N 41 130.200 125.552 4.648 1
1 462 . 6 1 1 A 42 42 LYS H H 42 8.955 9.840 -0.885 1
1 463 . 6 1 1 A 42 42 LYS HA H 42 5.180 5.470 -0.290 1
1 472 . 6 1 1 A 42 42 LYS CA C 42 55.017 54.816 0.201 1
1 473 . 6 1 1 A 42 42 LYS CB C 42 36.649 34.133 2.516 1
1 477 . 6 1 1 A 42 42 LYS N N 42 124.155 123.112 1.043 1
1 478 . 6 1 1 A 43 43 VAL H H 43 7.515 8.619 -1.104 1
1 479 . 6 1 1 A 43 43 VAL HA H 43 4.360 4.415 -0.055 1
1 487 . 6 1 1 A 43 43 VAL CA C 43 61.230 61.130 0.100 1
1 488 . 6 1 1 A 43 43 VAL CB C 43 33.656 33.111 0.545 1
1 491 . 6 1 1 A 43 43 VAL N N 43 124.332 125.055 -0.723 1
1 492 . 6 1 1 A 44 44 GLU H H 44 8.092 8.188 -0.096 1
1 493 . 6 1 1 A 44 44 GLU HA H 44 4.368 4.728 -0.360 1
1 498 . 6 1 1 A 44 44 GLU CA C 44 55.445 54.274 1.171 1
1 499 . 6 1 1 A 44 44 GLU CB C 44 31.404 32.927 -1.523 1
1 501 . 6 1 1 A 44 44 GLU N N 44 130.594 127.093 3.501 1
1 502 . 6 1 1 A 45 45 LYS H H 45 8.982 8.666 0.316 1
1 503 . 6 1 1 A 45 45 LYS HA H 45 3.695 3.925 -0.230 1
1 512 . 6 1 1 A 45 45 LYS CA C 45 59.588 58.894 0.694 1
1 513 . 6 1 1 A 45 45 LYS CB C 45 30.077 32.067 -1.990 1
1 517 . 6 1 1 A 45 45 LYS N N 45 125.587 120.846 4.741 1
1 518 . 6 1 1 A 46 46 VAL H H 46 7.710 7.428 0.282 1
1 519 . 6 1 1 A 46 46 VAL HA H 46 4.346 3.978 0.368 1
1 527 . 6 1 1 A 46 46 VAL CA C 46 61.342 64.661 -3.319 1
1 528 . 6 1 1 A 46 46 VAL CB C 46 31.917 31.934 -0.017 1
1 531 . 6 1 1 A 46 46 VAL N N 46 115.763 118.084 -2.321 1
1 532 . 6 1 1 A 47 47 THR H H 47 8.151 7.737 0.414 1
1 533 . 6 1 1 A 47 47 THR HA H 47 4.397 5.291 -0.894 1
1 538 . 6 1 1 A 47 47 THR CA C 47 63.072 61.141 1.931 1
1 539 . 6 1 1 A 47 47 THR CB C 47 69.615 72.206 -2.591 1
1 541 . 6 1 1 A 47 47 THR N N 47 120.888 111.716 9.172 1
1 542 . 6 1 1 A 48 48 HIS H H 48 8.753 9.174 -0.421 1
1 543 . 6 1 1 A 48 48 HIS HA H 48 4.826 5.337 -0.511 1
1 547 . 6 1 1 A 48 48 HIS CA C 48 55.978 55.005 0.973 1
1 548 . 6 1 1 A 48 48 HIS CB C 48 30.476 30.937 -0.461 1
1 550 . 6 1 1 A 48 48 HIS N N 48 130.755 123.213 7.542 1
1 551 . 6 1 1 A 49 49 THR H H 49 9.136 8.512 0.624 1
1 552 . 6 1 1 A 49 49 THR HA H 49 5.245 5.104 0.141 1
1 557 . 6 1 1 A 49 49 THR CA C 49 60.941 61.274 -0.333 1
1 558 . 6 1 1 A 49 49 THR CB C 49 71.411 71.797 -0.386 1
1 560 . 6 1 1 A 49 49 THR N N 49 118.522 118.162 0.360 1
1 561 . 6 1 1 A 50 50 SER H H 50 9.050 8.519 0.531 1
1 562 . 6 1 1 A 50 50 SER HA H 50 5.348 5.659 -0.311 1
1 565 . 6 1 1 A 50 50 SER CA C 50 55.645 57.249 -1.604 1
1 566 . 6 1 1 A 50 50 SER CB C 50 66.579 66.279 0.300 1
1 567 . 6 1 1 A 50 50 SER N N 50 119.749 119.341 0.408 1
1 568 . 6 1 1 A 51 51 ASP H H 51 8.843 9.785 -0.942 1
1 569 . 6 1 1 A 51 51 ASP HA H 51 5.363 5.733 -0.370 1
1 572 . 6 1 1 A 51 51 ASP CA C 51 52.879 52.367 0.512 1
1 573 . 6 1 1 A 51 51 ASP CB C 51 45.173 44.374 0.799 1
1 574 . 6 1 1 A 51 51 ASP N N 51 126.330 123.118 3.212 1
1 575 . 6 1 1 A 52 52 ALA H H 52 8.938 9.657 -0.719 1
1 576 . 6 1 1 A 52 52 ALA HA H 52 5.777 5.145 0.632 1
1 580 . 6 1 1 A 52 52 ALA CA C 52 50.806 51.032 -0.226 1
1 581 . 6 1 1 A 52 52 ALA CB C 52 24.676 21.218 3.458 1
1 582 . 6 1 1 A 52 52 ALA N N 52 122.789 122.624 0.165 1
1 583 . 6 1 1 A 53 53 THR H H 53 8.666 8.612 0.054 1
1 584 . 6 1 1 A 53 53 THR HA H 53 4.979 5.057 -0.078 1
1 589 . 6 1 1 A 53 53 THR CA C 53 62.026 61.575 0.451 1
1 590 . 6 1 1 A 53 53 THR CB C 53 70.850 68.876 1.974 1
1 592 . 6 1 1 A 53 53 THR N N 53 118.344 118.460 -0.116 1
1 593 . 6 1 1 A 54 54 LEU H H 54 9.662 8.806 0.856 1
1 594 . 6 1 1 A 54 54 LEU HA H 54 4.921 4.994 -0.073 1
1 604 . 6 1 1 A 54 54 LEU CA C 54 53.923 53.865 0.058 1
1 605 . 6 1 1 A 54 54 LEU CB C 54 43.782 44.377 -0.595 1
1 609 . 6 1 1 A 54 54 LEU N N 54 129.166 127.564 1.602 1
1 610 . 6 1 1 A 55 55 HIS H H 55 8.956 9.133 -0.177 1
1 611 . 6 1 1 A 55 55 HIS HA H 55 4.882 5.177 -0.295 1
1 615 . 6 1 1 A 55 55 HIS CA C 55 56.326 55.108 1.218 1
1 616 . 6 1 1 A 55 55 HIS CB C 55 30.431 31.340 -0.909 1
1 618 . 6 1 1 A 55 55 HIS N N 55 126.094 122.184 3.910 1
1 619 . 6 1 1 A 56 56 VAL H H 56 8.151 8.840 -0.689 1
1 620 . 6 1 1 A 56 56 VAL HA H 56 4.856 4.467 0.389 1
1 628 . 6 1 1 A 56 56 VAL CA C 56 58.734 59.840 -1.106 1
1 629 . 6 1 1 A 56 56 VAL CB C 56 34.523 33.090 1.433 1
1 632 . 6 1 1 A 56 56 VAL N N 56 120.242 122.824 -2.582 1
1 633 . 6 1 1 A 57 57 ASN H H 57 8.970 8.757 0.213 1
1 634 . 6 1 1 A 57 57 ASN HA H 57 4.463 4.441 0.022 1
1 637 . 6 1 1 A 57 57 ASN CA C 57 54.963 56.572 -1.609 1
1 638 . 6 1 1 A 57 57 ASN CB C 57 37.481 38.302 -0.821 1
1 639 . 6 1 1 A 57 57 ASN N N 57 124.652 122.440 2.212 1
1 640 . 6 1 1 A 58 58 GLY H H 58 8.868 7.965 0.903 1
1 641 . 6 1 1 A 58 58 GLY HA2 H 58 3.814 3.933 -0.119 1
1 642 . 6 1 1 A 58 58 GLY HA3 H 58 4.152 3.934 0.218 1
1 643 . 6 1 1 A 58 58 GLY CA C 58 45.606 45.524 0.082 1
1 644 . 6 1 1 A 58 58 GLY N N 58 112.816 106.905 5.911 1
1 645 . 6 1 1 A 59 59 GLY H H 59 7.848 7.485 0.363 1
1 646 . 6 1 1 A 59 59 GLY HA2 H 59 3.978 3.976 0.002 1
1 647 . 6 1 1 A 59 59 GLY HA3 H 59 4.153 4.001 0.152 1
1 648 . 6 1 1 A 59 59 GLY CA C 59 45.321 45.644 -0.323 1
1 649 . 6 1 1 A 59 59 GLY N N 59 109.857 107.834 2.023 1
1 650 . 6 1 1 A 60 60 GLU H H 60 8.262 8.705 -0.443 1
1 651 . 6 1 1 A 60 60 GLU HA H 60 5.110 4.932 0.178 1
1 656 . 6 1 1 A 60 60 GLU CA C 60 54.756 54.656 0.100 1
1 657 . 6 1 1 A 60 60 GLU CB C 60 32.933 33.349 -0.416 1
1 659 . 6 1 1 A 60 60 GLU N N 60 121.732 119.518 2.214 1
1 660 . 6 1 1 A 61 61 ILE H H 61 8.764 8.642 0.122 1
1 661 . 6 1 1 A 61 61 ILE HA H 61 4.286 4.863 -0.577 1
1 671 . 6 1 1 A 61 61 ILE CA C 61 59.713 60.221 -0.508 1
1 672 . 6 1 1 A 61 61 ILE CB C 61 41.194 39.553 1.641 1
1 676 . 6 1 1 A 61 61 ILE N N 61 124.817 124.209 0.608 1
1 677 . 6 1 1 A 62 62 HIS H H 62 8.907 8.896 0.011 1
1 678 . 6 1 1 A 62 62 HIS HA H 62 5.743 5.231 0.512 1
1 682 . 6 1 1 A 62 62 HIS CA C 62 54.009 53.599 0.410 1
1 683 . 6 1 1 A 62 62 HIS CB C 62 32.365 33.121 -0.756 1
1 685 . 6 1 1 A 62 62 HIS N N 62 127.338 126.982 0.356 1
1 686 . 6 1 1 A 63 63 ALA H H 63 8.298 9.184 -0.886 1
1 687 . 6 1 1 A 63 63 ALA HA H 63 4.480 5.296 -0.816 1
1 691 . 6 1 1 A 63 63 ALA CA C 63 51.764 50.389 1.375 1
1 692 . 6 1 1 A 63 63 ALA CB C 63 23.678 23.450 0.228 1
1 693 . 6 1 1 A 63 63 ALA N N 63 125.511 130.357 -4.846 1
1 694 . 6 1 1 A 64 64 SER H H 64 8.070 8.826 -0.756 1
1 695 . 6 1 1 A 64 64 SER HA H 64 5.286 5.437 -0.151 1
1 698 . 6 1 1 A 64 64 SER CA C 64 56.782 57.676 -0.894 1
1 699 . 6 1 1 A 64 64 SER CB C 64 65.895 65.537 0.358 1
1 700 . 6 1 1 A 64 64 SER N N 64 114.469 116.275 -1.806 1
1 701 . 6 1 1 A 65 65 ALA H H 65 8.904 9.107 -0.203 1
1 702 . 6 1 1 A 65 65 ALA HA H 65 4.669 5.374 -0.705 1
1 706 . 6 1 1 A 65 65 ALA CA C 65 51.753 49.762 1.991 1
1 707 . 6 1 1 A 65 65 ALA CB C 65 22.599 22.458 0.141 1
1 708 . 6 1 1 A 65 65 ALA N N 65 126.977 128.988 -2.011 1
1 709 . 6 1 1 A 66 66 GLU H H 66 8.200 8.763 -0.563 1
1 710 . 6 1 1 A 66 66 GLU HA H 66 5.680 5.211 0.469 1
1 715 . 6 1 1 A 66 66 GLU CA C 66 53.650 55.084 -1.434 1
1 716 . 6 1 1 A 66 66 GLU CB C 66 33.741 32.865 0.876 1
1 718 . 6 1 1 A 66 66 GLU N N 66 119.267 119.349 -0.082 1
1 719 . 6 1 1 A 67 67 GLY H H 67 8.836 8.401 0.435 1
1 720 . 6 1 1 A 67 67 GLY HA2 H 67 4.490 4.398 0.092 1
1 721 . 6 1 1 A 67 67 GLY HA3 H 67 3.728 4.402 -0.674 1
1 722 . 6 1 1 A 67 67 GLY CA C 67 45.157 44.843 0.314 1
1 723 . 6 1 1 A 67 67 GLY N N 67 108.048 107.953 0.095 1
1 724 . 6 1 1 A 68 68 GLN H H 68 8.997 8.722 0.275 1
1 725 . 6 1 1 A 68 68 GLN HA H 68 4.440 4.044 0.396 1
1 730 . 6 1 1 A 68 68 GLN CA C 68 56.996 57.822 -0.826 1
1 731 . 6 1 1 A 68 68 GLN CB C 68 28.694 28.760 -0.066 1
1 733 . 6 1 1 A 68 68 GLN N N 68 119.961 119.956 0.005 1
1 734 . 6 1 1 A 69 69 ASP H H 69 7.542 7.405 0.137 1
1 735 . 6 1 1 A 69 69 ASP HA H 69 3.242 3.831 -0.589 1
1 738 . 6 1 1 A 69 69 ASP CA C 69 51.838 52.395 -0.557 1
1 739 . 6 1 1 A 69 69 ASP CB C 69 42.829 42.843 -0.014 1
1 740 . 6 1 1 A 69 69 ASP N N 69 115.279 114.220 1.059 1
1 741 . 6 1 1 A 70 70 MET H H 70 8.409 8.697 -0.288 1
1 742 . 6 1 1 A 70 70 MET HA H 70 4.200 4.286 -0.086 1
1 747 . 6 1 1 A 70 70 MET CA C 70 56.505 58.447 -1.942 1
1 748 . 6 1 1 A 70 70 MET CB C 70 31.533 32.324 -0.791 1
1 750 . 6 1 1 A 70 70 MET N N 70 120.495 119.132 1.363 1
1 751 . 6 1 1 A 71 71 TYR H H 71 7.304 7.511 -0.207 1
1 752 . 6 1 1 A 71 71 TYR HA H 71 3.832 4.406 -0.574 1
1 757 . 6 1 1 A 71 71 TYR CA C 71 60.141 60.767 -0.626 1
1 758 . 6 1 1 A 71 71 TYR CB C 71 35.788 38.671 -2.883 1
1 761 . 6 1 1 A 71 71 TYR N N 71 120.024 117.989 2.035 1
1 762 . 6 1 1 A 72 72 ALA H H 72 8.474 8.839 -0.365 1
1 763 . 6 1 1 A 72 72 ALA HA H 72 4.213 4.015 0.198 1
1 767 . 6 1 1 A 72 72 ALA CA C 72 54.526 55.253 -0.727 1
1 768 . 6 1 1 A 72 72 ALA CB C 72 18.884 18.068 0.816 1
1 769 . 6 1 1 A 72 72 ALA N N 72 123.384 122.885 0.499 1
1 770 . 6 1 1 A 73 73 ALA H H 73 7.595 7.981 -0.386 1
1 771 . 6 1 1 A 73 73 ALA HA H 73 3.731 4.163 -0.432 1
1 775 . 6 1 1 A 73 73 ALA CA C 73 55.647 54.937 0.710 1
1 776 . 6 1 1 A 73 73 ALA CB C 73 17.460 18.549 -1.089 1
1 777 . 6 1 1 A 73 73 ALA N N 73 123.415 119.967 3.448 1
1 778 . 6 1 1 A 74 74 ILE H H 74 7.958 8.029 -0.071 1
1 779 . 6 1 1 A 74 74 ILE HA H 74 3.692 3.817 -0.125 1
1 789 . 6 1 1 A 74 74 ILE CA C 74 63.902 65.240 -1.338 1
1 790 . 6 1 1 A 74 74 ILE CB C 74 37.010 36.857 0.153 1
1 794 . 6 1 1 A 74 74 ILE N N 74 119.834 119.091 0.743 1
1 795 . 6 1 1 A 75 75 ASP H H 75 8.468 8.385 0.083 1
1 796 . 6 1 1 A 75 75 ASP HA H 75 4.282 4.364 -0.082 1
1 799 . 6 1 1 A 75 75 ASP CA C 75 58.107 57.362 0.745 1
1 800 . 6 1 1 A 75 75 ASP CB C 75 40.628 40.869 -0.241 1
1 801 . 6 1 1 A 75 75 ASP N N 75 122.091 121.261 0.830 1
1 802 . 6 1 1 A 76 76 GLY H H 76 8.041 8.221 -0.180 1
1 803 . 6 1 1 A 76 76 GLY HA2 H 76 3.845 3.726 0.119 1
1 804 . 6 1 1 A 76 76 GLY HA3 H 76 3.863 3.734 0.129 1
1 805 . 6 1 1 A 76 76 GLY CA C 76 46.668 46.983 -0.315 1
1 806 . 6 1 1 A 76 76 GLY N N 76 108.081 107.691 0.390 1
1 807 . 6 1 1 A 77 77 LEU H H 77 8.088 7.981 0.107 1
1 808 . 6 1 1 A 77 77 LEU HA H 77 3.709 4.204 -0.495 1
1 818 . 6 1 1 A 77 77 LEU CA C 77 57.865 57.334 0.531 1
1 819 . 6 1 1 A 77 77 LEU CB C 77 41.828 41.732 0.096 1
1 823 . 6 1 1 A 77 77 LEU N N 77 126.711 123.376 3.335 1
1 824 . 6 1 1 A 78 78 ILE H H 78 8.155 8.292 -0.137 1
1 825 . 6 1 1 A 78 78 ILE HA H 78 3.316 3.823 -0.507 1
1 835 . 6 1 1 A 78 78 ILE CA C 78 62.813 62.517 0.296 1
1 836 . 6 1 1 A 78 78 ILE CB C 78 34.810 37.661 -2.851 1
1 840 . 6 1 1 A 78 78 ILE N N 78 120.409 119.039 1.370 1
1 841 . 6 1 1 A 79 79 ASP H H 79 7.408 7.721 -0.313 1
1 842 . 6 1 1 A 79 79 ASP HA H 79 4.274 4.434 -0.160 1
1 845 . 6 1 1 A 79 79 ASP CA C 79 57.605 56.523 1.082 1
1 846 . 6 1 1 A 79 79 ASP CB C 79 41.017 40.853 0.164 1
1 847 . 6 1 1 A 79 79 ASP N N 79 120.497 122.419 -1.922 1
1 848 . 6 1 1 A 80 80 LYS H H 80 7.536 7.963 -0.427 1
1 849 . 6 1 1 A 80 80 LYS HA H 80 3.931 4.061 -0.130 1
1 858 . 6 1 1 A 80 80 LYS CA C 80 59.952 59.009 0.943 1
1 859 . 6 1 1 A 80 80 LYS CB C 80 33.221 31.657 1.564 1
1 863 . 6 1 1 A 80 80 LYS N N 80 119.684 118.321 1.363 1
1 864 . 6 1 1 A 81 81 LEU H H 81 8.473 7.760 0.713 1
1 865 . 6 1 1 A 81 81 LEU HA H 81 3.765 3.959 -0.194 1
1 875 . 6 1 1 A 81 81 LEU CA C 81 57.564 57.759 -0.195 1
1 876 . 6 1 1 A 81 81 LEU CB C 81 42.473 41.698 0.775 1
1 880 . 6 1 1 A 81 81 LEU N N 81 121.519 120.897 0.622 1
1 881 . 6 1 1 A 82 82 ALA H H 82 8.682 8.161 0.521 1
1 882 . 6 1 1 A 82 82 ALA HA H 82 3.479 4.274 -0.795 1
1 886 . 6 1 1 A 82 82 ALA CA C 82 55.731 55.814 -0.083 1
1 887 . 6 1 1 A 82 82 ALA CB C 82 17.388 18.343 -0.955 1
1 888 . 6 1 1 A 82 82 ALA N N 82 123.814 121.387 2.427 1
1 889 . 6 1 1 A 83 83 ARG H H 83 7.329 7.807 -0.478 1
1 890 . 6 1 1 A 83 83 ARG HA H 83 3.981 4.069 -0.088 1
1 897 . 6 1 1 A 83 83 ARG CA C 83 59.137 59.705 -0.568 1
1 898 . 6 1 1 A 83 83 ARG CB C 83 29.971 30.115 -0.144 1
1 901 . 6 1 1 A 83 83 ARG N N 83 118.219 117.774 0.445 1
1 902 . 6 1 1 A 84 84 GLN H H 84 7.750 7.569 0.181 1
1 903 . 6 1 1 A 84 84 GLN HA H 84 4.047 4.109 -0.062 1
1 906 . 6 1 1 A 84 84 GLN CA C 84 58.685 58.396 0.289 1
1 907 . 6 1 1 A 84 84 GLN CB C 84 29.903 28.534 1.369 1
1 909 . 6 1 1 A 84 84 GLN N N 84 119.887 119.339 0.548 1
1 910 . 6 1 1 A 85 85 LEU H H 85 8.610 8.464 0.146 1
1 911 . 6 1 1 A 85 85 LEU HA H 85 3.788 3.848 -0.060 1
1 920 . 6 1 1 A 85 85 LEU CA C 85 57.600 57.647 -0.047 1
1 921 . 6 1 1 A 85 85 LEU CB C 85 41.178 41.086 0.092 1
1 925 . 6 1 1 A 85 85 LEU N N 85 122.951 120.225 2.726 1
1 926 . 6 1 1 A 86 86 THR H H 86 7.709 8.422 -0.713 1
1 927 . 6 1 1 A 86 86 THR HA H 86 4.056 4.055 0.001 1
1 932 . 6 1 1 A 86 86 THR CA C 86 65.924 67.075 -1.151 1
1 933 . 6 1 1 A 86 86 THR CB C 86 68.870 68.175 0.695 1
1 935 . 6 1 1 A 86 86 THR N N 86 116.282 115.583 0.699 1
1 936 . 6 1 1 A 87 87 LYS H H 87 7.457 7.919 -0.462 1
1 937 . 6 1 1 A 87 87 LYS HA H 87 4.102 4.127 -0.025 1
1 946 . 6 1 1 A 87 87 LYS CA C 87 58.289 59.517 -1.228 1
1 947 . 6 1 1 A 87 87 LYS CB C 87 32.293 32.477 -0.184 1
1 951 . 6 1 1 A 87 87 LYS N N 87 122.670 121.268 1.402 1
1 952 . 6 1 1 A 88 88 HIS H H 88 7.928 8.004 -0.076 1
1 953 . 6 1 1 A 88 88 HIS HA H 88 4.301 4.470 -0.169 1
1 957 . 6 1 1 A 88 88 HIS CA C 88 58.361 58.378 -0.017 1
1 958 . 6 1 1 A 88 88 HIS CB C 88 30.766 28.143 2.623 1
1 960 . 6 1 1 A 88 88 HIS N N 88 121.382 117.155 4.227 1
1 961 . 6 1 1 A 89 89 LYS H H 89 7.928 7.622 0.306 1
1 962 . 6 1 1 A 89 89 LYS HA H 89 3.934 3.949 -0.015 1
1 971 . 6 1 1 A 89 89 LYS CA C 89 58.568 58.652 -0.084 1
1 972 . 6 1 1 A 89 89 LYS CB C 89 32.489 32.085 0.404 1
1 976 . 6 1 1 A 89 89 LYS N N 89 121.821 122.301 -0.480 1
1 977 . 6 1 1 A 90 90 ASP H H 90 8.143 8.096 0.047 1
1 978 . 6 1 1 A 90 90 ASP HA H 90 4.445 4.473 -0.028 1
1 981 . 6 1 1 A 90 90 ASP CA C 90 55.869 55.986 -0.117 1
1 982 . 6 1 1 A 90 90 ASP CB C 90 40.715 40.465 0.250 1
1 983 . 6 1 1 A 90 90 ASP N N 90 121.199 118.065 3.134 1
1 984 . 6 1 1 A 91 91 LYS H H 91 7.867 7.960 -0.093 1
1 985 . 6 1 1 A 91 91 LYS HA H 91 4.130 4.062 0.068 1
1 994 . 6 1 1 A 91 91 LYS CA C 91 57.421 59.411 -1.990 1
1 995 . 6 1 1 A 91 91 LYS CB C 91 32.365 32.228 0.137 1
1 999 . 6 1 1 A 91 91 LYS N N 91 121.976 120.744 1.232 1
1 1000 . 6 1 1 A 92 92 LEU H H 92 7.709 7.905 -0.196 1
1 1001 . 6 1 1 A 92 92 LEU HA H 92 4.171 4.150 0.021 1
1 1011 . 6 1 1 A 92 92 LEU CA C 92 55.449 57.613 -2.164 1
1 1012 . 6 1 1 A 92 92 LEU CB C 92 41.871 41.849 0.022 1
1 1016 . 6 1 1 A 92 92 LEU N N 92 121.802 118.833 2.969 1
1 1017 . 6 1 1 A 93 93 LYS H H 93 7.751 7.959 -0.208 1
1 1018 . 6 1 1 A 93 93 LYS HA H 93 4.197 3.999 0.198 1
1 1027 . 6 1 1 A 93 93 LYS CA C 93 56.420 57.736 -1.316 1
1 1028 . 6 1 1 A 93 93 LYS CB C 93 32.792 29.887 2.905 1
1 1032 . 6 1 1 A 93 93 LYS N N 93 121.954 116.721 5.233 1
1 1033 . 6 1 1 A 94 94 GLN H H 94 8.129 7.548 0.581 1
1 1034 . 6 1 1 A 94 94 GLN HA H 94 4.208 4.489 -0.281 1
1 1039 . 6 1 1 A 94 94 GLN CA C 94 55.891 54.844 1.047 1
1 1040 . 6 1 1 A 94 94 GLN CB C 94 29.236 28.766 0.470 1
1 1042 . 6 1 1 A 94 94 GLN N N 94 123.165 113.576 9.589 1
1 1 . 7 1 1 A 2 2 GLN H H 2 7.809 7.543 0.266 1
1 2 . 7 1 1 A 2 2 GLN HA H 2 4.394 4.459 -0.065 1
1 7 . 7 1 1 A 2 2 GLN CA C 2 55.124 54.568 0.556 1
1 8 . 7 1 1 A 2 2 GLN CB C 2 30.385 28.350 2.035 1
1 10 . 7 1 1 A 2 2 GLN N N 2 126.586 117.360 9.226 1
1 11 . 7 1 1 A 3 3 LEU H H 3 8.598 8.575 0.023 1
1 12 . 7 1 1 A 3 3 LEU HA H 3 4.380 5.450 -1.070 1
1 22 . 7 1 1 A 3 3 LEU CA C 3 54.590 52.566 2.024 1
1 23 . 7 1 1 A 3 3 LEU CB C 3 43.701 45.348 -1.647 1
1 27 . 7 1 1 A 3 3 LEU N N 3 128.942 119.641 9.301 1
1 28 . 7 1 1 A 4 4 ASN H H 4 8.227 8.715 -0.488 1
1 29 . 7 1 1 A 4 4 ASN HA H 4 4.864 5.278 -0.414 1
1 32 . 7 1 1 A 4 4 ASN CA C 4 52.628 52.192 0.436 1
1 33 . 7 1 1 A 4 4 ASN CB C 4 41.258 42.977 -1.719 1
1 34 . 7 1 1 A 4 4 ASN N N 4 127.137 118.105 9.032 1
1 35 . 7 1 1 A 5 5 ILE H H 5 8.659 8.603 0.056 1
1 36 . 7 1 1 A 5 5 ILE HA H 5 4.901 5.304 -0.403 1
1 46 . 7 1 1 A 5 5 ILE CA C 5 60.288 59.114 1.174 1
1 47 . 7 1 1 A 5 5 ILE CB C 5 40.902 42.365 -1.463 1
1 51 . 7 1 1 A 5 5 ILE N N 5 126.355 117.533 8.822 1
1 52 . 7 1 1 A 6 6 THR H H 6 8.796 8.617 0.179 1
1 53 . 7 1 1 A 6 6 THR HA H 6 4.654 4.867 -0.213 1
1 58 . 7 1 1 A 6 6 THR CA C 6 60.751 60.804 -0.053 1
1 59 . 7 1 1 A 6 6 THR CB C 6 71.993 71.528 0.465 1
1 61 . 7 1 1 A 6 6 THR N N 6 123.546 117.648 5.898 1
1 62 . 7 1 1 A 7 7 GLY H H 7 8.833 9.179 -0.346 1
1 63 . 7 1 1 A 7 7 GLY HA2 H 7 3.764 4.211 -0.447 1
1 64 . 7 1 1 A 7 7 GLY HA3 H 7 5.071 4.216 0.855 1
1 65 . 7 1 1 A 7 7 GLY CA C 7 44.318 44.773 -0.455 1
1 66 . 7 1 1 A 7 7 GLY N N 7 112.240 115.208 -2.968 1
1 67 . 7 1 1 A 8 8 ASN H H 8 8.962 8.287 0.675 1
1 68 . 7 1 1 A 8 8 ASN HA H 8 4.828 5.484 -0.656 1
1 71 . 7 1 1 A 8 8 ASN CA C 8 52.799 51.925 0.874 1
1 72 . 7 1 1 A 8 8 ASN CB C 8 39.244 39.593 -0.349 1
1 73 . 7 1 1 A 8 8 ASN N N 8 124.384 119.321 5.063 1
1 74 . 7 1 1 A 9 9 ASN H H 9 8.756 9.068 -0.312 1
1 75 . 7 1 1 A 9 9 ASN HA H 9 4.248 4.313 -0.065 1
1 78 . 7 1 1 A 9 9 ASN CA C 9 53.998 54.333 -0.335 1
1 79 . 7 1 1 A 9 9 ASN CB C 9 37.231 37.650 -0.419 1
1 80 . 7 1 1 A 9 9 ASN N N 9 120.082 118.258 1.824 1
1 81 . 7 1 1 A 10 10 VAL H H 10 6.825 7.745 -0.920 1
1 82 . 7 1 1 A 10 10 VAL HA H 10 4.097 4.572 -0.475 1
1 90 . 7 1 1 A 10 10 VAL CA C 10 60.425 60.276 0.149 1
1 91 . 7 1 1 A 10 10 VAL CB C 10 34.765 35.241 -0.476 1
1 94 . 7 1 1 A 10 10 VAL N N 10 115.342 117.546 -2.204 1
1 95 . 7 1 1 A 11 11 GLU H H 11 8.347 8.540 -0.193 1
1 96 . 7 1 1 A 11 11 GLU HA H 11 4.174 4.540 -0.366 1
1 101 . 7 1 1 A 11 11 GLU CA C 11 55.442 56.591 -1.149 1
1 102 . 7 1 1 A 11 11 GLU CB C 11 30.114 29.853 0.261 1
1 104 . 7 1 1 A 11 11 GLU N N 11 129.115 128.300 0.815 1
1 105 . 7 1 1 A 12 12 ILE H H 12 8.942 8.945 -0.003 1
1 106 . 7 1 1 A 12 12 ILE HA H 12 4.034 4.455 -0.421 1
1 116 . 7 1 1 A 12 12 ILE CA C 12 58.894 61.004 -2.110 1
1 117 . 7 1 1 A 12 12 ILE CB C 12 33.240 36.759 -3.519 1
1 121 . 7 1 1 A 12 12 ILE N N 12 128.622 128.551 0.071 1
1 122 . 7 1 1 A 13 13 THR H H 13 6.818 7.840 -1.022 1
1 123 . 7 1 1 A 13 13 THR HA H 13 4.429 4.938 -0.509 1
1 128 . 7 1 1 A 13 13 THR CA C 13 60.052 59.812 0.240 1
1 129 . 7 1 1 A 13 13 THR CB C 13 70.842 71.396 -0.554 1
1 131 . 7 1 1 A 13 13 THR N N 13 119.687 119.859 -0.172 1
1 132 . 7 1 1 A 14 14 GLU H H 14 8.969 9.049 -0.080 1
1 133 . 7 1 1 A 14 14 GLU HA H 14 4.024 3.981 0.043 1
1 138 . 7 1 1 A 14 14 GLU CA C 14 59.794 60.277 -0.483 1
1 139 . 7 1 1 A 14 14 GLU CB C 14 28.845 29.434 -0.589 1
1 141 . 7 1 1 A 14 14 GLU N N 14 123.290 122.396 0.894 1
1 142 . 7 1 1 A 15 15 ALA H H 15 8.334 7.973 0.361 1
1 143 . 7 1 1 A 15 15 ALA HA H 15 4.151 4.382 -0.231 1
1 147 . 7 1 1 A 15 15 ALA CA C 15 55.076 55.346 -0.270 1
1 148 . 7 1 1 A 15 15 ALA CB C 15 18.008 18.122 -0.114 1
1 149 . 7 1 1 A 15 15 ALA N N 15 121.958 122.011 -0.053 1
1 150 . 7 1 1 A 16 16 LEU H H 16 7.765 8.355 -0.590 1
1 151 . 7 1 1 A 16 16 LEU HA H 16 4.240 4.366 -0.126 1
1 161 . 7 1 1 A 16 16 LEU CA C 16 57.674 58.789 -1.115 1
1 162 . 7 1 1 A 16 16 LEU CB C 16 42.122 41.957 0.165 1
1 166 . 7 1 1 A 16 16 LEU N N 16 123.064 119.989 3.075 1
1 167 . 7 1 1 A 17 17 ARG H H 17 8.627 7.788 0.839 1
1 168 . 7 1 1 A 17 17 ARG HA H 17 3.595 3.958 -0.363 1
1 175 . 7 1 1 A 17 17 ARG CA C 17 60.573 59.001 1.572 1
1 176 . 7 1 1 A 17 17 ARG CB C 17 29.679 30.205 -0.526 1
1 179 . 7 1 1 A 17 17 ARG N N 17 121.878 118.220 3.658 1
1 180 . 7 1 1 A 18 18 GLU H H 18 8.665 8.374 0.291 1
1 181 . 7 1 1 A 18 18 GLU HA H 18 3.952 4.068 -0.116 1
1 186 . 7 1 1 A 18 18 GLU CA C 18 59.654 59.130 0.524 1
1 187 . 7 1 1 A 18 18 GLU CB C 18 29.301 29.358 -0.057 1
1 189 . 7 1 1 A 18 18 GLU N N 18 123.257 119.395 3.862 1
1 190 . 7 1 1 A 19 19 PHE H H 19 8.026 8.705 -0.679 1
1 191 . 7 1 1 A 19 19 PHE HA H 19 4.258 4.291 -0.033 1
1 195 . 7 1 1 A 19 19 PHE CA C 19 61.640 60.474 1.166 1
1 196 . 7 1 1 A 19 19 PHE CB C 19 39.547 38.411 1.136 1
1 198 . 7 1 1 A 19 19 PHE N N 19 123.888 119.241 4.647 1
1 199 . 7 1 1 A 20 20 VAL H H 20 8.734 7.778 0.956 1
1 200 . 7 1 1 A 20 20 VAL HA H 20 3.336 3.393 -0.057 1
1 208 . 7 1 1 A 20 20 VAL CA C 20 67.245 66.111 1.134 1
1 209 . 7 1 1 A 20 20 VAL CB C 20 31.965 31.339 0.626 1
1 212 . 7 1 1 A 20 20 VAL N N 20 119.762 118.608 1.154 1
1 213 . 7 1 1 A 21 21 THR H H 21 8.213 8.390 -0.177 1
1 214 . 7 1 1 A 21 21 THR HA H 21 3.615 3.957 -0.342 1
1 218 . 7 1 1 A 21 21 THR CA C 21 67.657 66.656 1.001 1
1 219 . 7 1 1 A 21 21 THR CB C 21 68.697 68.279 0.418 1
1 221 . 7 1 1 A 21 21 THR N N 21 117.446 115.261 2.185 1
1 222 . 7 1 1 A 22 22 ALA H H 22 8.050 8.760 -0.710 1
1 223 . 7 1 1 A 22 22 ALA HA H 22 4.084 3.977 0.107 1
1 227 . 7 1 1 A 22 22 ALA CA C 22 54.998 55.437 -0.439 1
1 228 . 7 1 1 A 22 22 ALA CB C 22 17.880 18.436 -0.556 1
1 229 . 7 1 1 A 22 22 ALA N N 22 125.291 123.044 2.247 1
1 230 . 7 1 1 A 23 23 LYS H H 23 7.868 7.757 0.111 1
1 231 . 7 1 1 A 23 23 LYS HA H 23 3.886 4.037 -0.151 1
1 240 . 7 1 1 A 23 23 LYS CA C 23 57.286 59.182 -1.896 1
1 241 . 7 1 1 A 23 23 LYS CB C 23 30.651 32.396 -1.745 1
1 245 . 7 1 1 A 23 23 LYS N N 23 119.332 117.828 1.504 1
1 246 . 7 1 1 A 24 24 PHE H H 24 8.369 8.107 0.262 1
1 247 . 7 1 1 A 24 24 PHE HA H 24 3.805 4.451 -0.646 1
1 252 . 7 1 1 A 24 24 PHE CA C 24 62.055 59.938 2.117 1
1 253 . 7 1 1 A 24 24 PHE CB C 24 38.744 38.435 0.309 1
1 256 . 7 1 1 A 24 24 PHE N N 24 119.142 118.518 0.624 1
1 257 . 7 1 1 A 25 25 ALA H H 25 7.879 8.606 -0.727 1
1 258 . 7 1 1 A 25 25 ALA HA H 25 4.140 4.112 0.028 1
1 262 . 7 1 1 A 25 25 ALA CA C 25 55.014 55.415 -0.401 1
1 263 . 7 1 1 A 25 25 ALA CB C 25 17.773 18.139 -0.366 1
1 264 . 7 1 1 A 25 25 ALA N N 25 123.500 121.890 1.610 1
1 265 . 7 1 1 A 26 26 LYS H H 26 7.217 7.762 -0.545 1
1 266 . 7 1 1 A 26 26 LYS HA H 26 4.024 3.934 0.090 1
1 275 . 7 1 1 A 26 26 LYS CA C 26 58.189 58.993 -0.804 1
1 276 . 7 1 1 A 26 26 LYS CB C 26 32.033 32.257 -0.224 1
1 280 . 7 1 1 A 26 26 LYS N N 26 118.541 117.784 0.757 1
1 281 . 7 1 1 A 27 27 LEU H H 27 7.773 7.689 0.084 1
1 282 . 7 1 1 A 27 27 LEU HA H 27 4.257 3.280 0.977 1
1 292 . 7 1 1 A 27 27 LEU CA C 27 55.889 56.240 -0.351 1
1 293 . 7 1 1 A 27 27 LEU CB C 27 41.083 41.785 -0.702 1
1 297 . 7 1 1 A 27 27 LEU N N 27 118.340 119.110 -0.770 1
1 298 . 7 1 1 A 28 28 GLU H H 28 7.296 8.272 -0.976 1
1 299 . 7 1 1 A 28 28 GLU HA H 28 3.489 4.455 -0.966 1
1 304 . 7 1 1 A 28 28 GLU CA C 28 58.336 58.822 -0.486 1
1 305 . 7 1 1 A 28 28 GLU CB C 28 29.265 29.292 -0.027 1
1 307 . 7 1 1 A 28 28 GLU N N 28 119.557 119.303 0.254 1
1 308 . 7 1 1 A 29 29 GLN H H 29 7.783 7.592 0.191 1
1 309 . 7 1 1 A 29 29 GLN HA H 29 3.923 3.985 -0.062 1
1 314 . 7 1 1 A 29 29 GLN CA C 29 57.387 58.378 -0.991 1
1 315 . 7 1 1 A 29 29 GLN CB C 29 28.082 28.623 -0.541 1
1 317 . 7 1 1 A 29 29 GLN N N 29 117.927 119.903 -1.976 1
1 318 . 7 1 1 A 30 30 TYR H H 30 7.731 6.792 0.939 1
1 319 . 7 1 1 A 30 30 TYR HA H 30 4.433 4.479 -0.046 1
1 324 . 7 1 1 A 30 30 TYR CA C 30 58.371 57.639 0.732 1
1 325 . 7 1 1 A 30 30 TYR CB C 30 39.297 38.947 0.350 1
1 328 . 7 1 1 A 30 30 TYR N N 30 118.639 118.340 0.299 1
1 329 . 7 1 1 A 31 31 PHE H H 31 7.652 7.966 -0.314 1
1 330 . 7 1 1 A 31 31 PHE HA H 31 4.605 5.078 -0.473 1
1 334 . 7 1 1 A 31 31 PHE CA C 31 58.507 57.484 1.023 1
1 335 . 7 1 1 A 31 31 PHE CB C 31 40.438 40.278 0.160 1
1 337 . 7 1 1 A 31 31 PHE N N 31 119.753 119.770 -0.017 1
1 338 . 7 1 1 A 32 32 ASP H H 32 8.087 8.772 -0.685 1
1 339 . 7 1 1 A 32 32 ASP HA H 32 4.465 5.039 -0.574 1
1 342 . 7 1 1 A 32 32 ASP CA C 32 55.094 54.118 0.976 1
1 343 . 7 1 1 A 32 32 ASP CB C 32 40.511 41.840 -1.329 1
1 344 . 7 1 1 A 32 32 ASP N N 32 121.865 123.484 -1.619 1
1 345 . 7 1 1 A 33 33 ARG H H 33 7.083 7.828 -0.745 1
1 346 . 7 1 1 A 33 33 ARG HA H 33 4.412 4.504 -0.092 1
1 353 . 7 1 1 A 33 33 ARG CA C 33 55.082 55.677 -0.595 1
1 354 . 7 1 1 A 33 33 ARG CB C 33 30.409 28.987 1.422 1
1 357 . 7 1 1 A 33 33 ARG N N 33 119.603 117.420 2.183 1
1 358 . 7 1 1 A 34 34 ILE H H 34 8.139 7.275 0.864 1
1 359 . 7 1 1 A 34 34 ILE HA H 34 4.051 4.771 -0.720 1
1 369 . 7 1 1 A 34 34 ILE CA C 34 61.543 60.869 0.674 1
1 370 . 7 1 1 A 34 34 ILE CB C 34 39.510 40.742 -1.232 1
1 374 . 7 1 1 A 34 34 ILE N N 34 123.576 122.030 1.546 1
1 375 . 7 1 1 A 35 35 ASN H H 35 8.560 8.914 -0.354 1
1 376 . 7 1 1 A 35 35 ASN HA H 35 4.870 4.895 -0.025 1
1 379 . 7 1 1 A 35 35 ASN CA C 35 53.877 54.120 -0.243 1
1 380 . 7 1 1 A 35 35 ASN CB C 35 38.806 39.487 -0.681 1
1 381 . 7 1 1 A 35 35 ASN N N 35 126.934 122.006 4.928 1
1 382 . 7 1 1 A 36 36 GLN H H 36 7.843 7.903 -0.060 1
1 383 . 7 1 1 A 36 36 GLN HA H 36 4.519 5.321 -0.802 1
1 388 . 7 1 1 A 36 36 GLN CA C 36 56.345 54.339 2.006 1
1 389 . 7 1 1 A 36 36 GLN CB C 36 31.240 31.053 0.187 1
1 391 . 7 1 1 A 36 36 GLN N N 36 120.673 118.074 2.599 1
1 392 . 7 1 1 A 37 37 VAL H H 37 8.330 8.892 -0.562 1
1 393 . 7 1 1 A 37 37 VAL HA H 37 4.693 4.758 -0.065 1
1 401 . 7 1 1 A 37 37 VAL CA C 37 60.789 61.225 -0.436 1
1 402 . 7 1 1 A 37 37 VAL CB C 37 34.740 34.514 0.226 1
1 405 . 7 1 1 A 37 37 VAL N N 37 123.403 126.784 -3.381 1
1 406 . 7 1 1 A 38 38 TYR H H 38 8.943 7.989 0.954 1
1 407 . 7 1 1 A 38 38 TYR HA H 38 5.039 6.122 -1.083 1
1 412 . 7 1 1 A 38 38 TYR CA C 38 57.028 55.312 1.716 1
1 413 . 7 1 1 A 38 38 TYR CB C 38 39.705 41.517 -1.812 1
1 416 . 7 1 1 A 38 38 TYR N N 38 129.202 123.446 5.756 1
1 417 . 7 1 1 A 39 39 VAL H H 39 9.053 8.684 0.369 1
1 418 . 7 1 1 A 39 39 VAL HA H 39 5.048 5.247 -0.199 1
1 426 . 7 1 1 A 39 39 VAL CA C 39 60.685 60.627 0.058 1
1 427 . 7 1 1 A 39 39 VAL CB C 39 34.107 35.142 -1.035 1
1 430 . 7 1 1 A 39 39 VAL N N 39 127.771 124.361 3.410 1
1 431 . 7 1 1 A 40 40 VAL H H 40 9.276 8.726 0.550 1
1 432 . 7 1 1 A 40 40 VAL HA H 40 4.862 4.860 0.002 1
1 440 . 7 1 1 A 40 40 VAL CA C 40 60.896 60.860 0.036 1
1 441 . 7 1 1 A 40 40 VAL CB C 40 34.411 35.829 -1.418 1
1 444 . 7 1 1 A 40 40 VAL N N 40 130.939 126.276 4.663 1
1 445 . 7 1 1 A 41 41 LEU H H 41 8.714 8.806 -0.092 1
1 446 . 7 1 1 A 41 41 LEU HA H 41 5.111 5.613 -0.502 1
1 456 . 7 1 1 A 41 41 LEU CA C 41 53.150 52.945 0.205 1
1 457 . 7 1 1 A 41 41 LEU CB C 41 42.538 45.277 -2.739 1
1 461 . 7 1 1 A 41 41 LEU N N 41 130.200 125.266 4.934 1
1 462 . 7 1 1 A 42 42 LYS H H 42 8.955 9.778 -0.823 1
1 463 . 7 1 1 A 42 42 LYS HA H 42 5.180 5.524 -0.344 1
1 472 . 7 1 1 A 42 42 LYS CA C 42 55.017 54.764 0.253 1
1 473 . 7 1 1 A 42 42 LYS CB C 42 36.649 34.886 1.763 1
1 477 . 7 1 1 A 42 42 LYS N N 42 124.155 123.089 1.066 1
1 478 . 7 1 1 A 43 43 VAL H H 43 7.515 8.158 -0.643 1
1 479 . 7 1 1 A 43 43 VAL HA H 43 4.360 4.500 -0.140 1
1 487 . 7 1 1 A 43 43 VAL CA C 43 61.230 61.095 0.135 1
1 488 . 7 1 1 A 43 43 VAL CB C 43 33.656 33.286 0.370 1
1 491 . 7 1 1 A 43 43 VAL N N 43 124.332 125.338 -1.006 1
1 492 . 7 1 1 A 44 44 GLU H H 44 8.092 8.310 -0.218 1
1 493 . 7 1 1 A 44 44 GLU HA H 44 4.368 4.781 -0.413 1
1 498 . 7 1 1 A 44 44 GLU CA C 44 55.445 54.354 1.091 1
1 499 . 7 1 1 A 44 44 GLU CB C 44 31.404 33.309 -1.905 1
1 501 . 7 1 1 A 44 44 GLU N N 44 130.594 124.960 5.634 1
1 502 . 7 1 1 A 45 45 LYS H H 45 8.982 8.691 0.291 1
1 503 . 7 1 1 A 45 45 LYS HA H 45 3.695 3.925 -0.230 1
1 512 . 7 1 1 A 45 45 LYS CA C 45 59.588 58.786 0.802 1
1 513 . 7 1 1 A 45 45 LYS CB C 45 30.077 32.157 -2.080 1
1 517 . 7 1 1 A 45 45 LYS N N 45 125.587 121.090 4.497 1
1 518 . 7 1 1 A 46 46 VAL H H 46 7.710 7.337 0.373 1
1 519 . 7 1 1 A 46 46 VAL HA H 46 4.346 4.165 0.181 1
1 527 . 7 1 1 A 46 46 VAL CA C 46 61.342 63.598 -2.256 1
1 528 . 7 1 1 A 46 46 VAL CB C 46 31.917 32.014 -0.097 1
1 531 . 7 1 1 A 46 46 VAL N N 46 115.763 113.564 2.199 1
1 532 . 7 1 1 A 47 47 THR H H 47 8.151 7.772 0.379 1
1 533 . 7 1 1 A 47 47 THR HA H 47 4.397 5.278 -0.881 1
1 538 . 7 1 1 A 47 47 THR CA C 47 63.072 61.130 1.942 1
1 539 . 7 1 1 A 47 47 THR CB C 47 69.615 72.050 -2.435 1
1 541 . 7 1 1 A 47 47 THR N N 47 120.888 113.565 7.323 1
1 542 . 7 1 1 A 48 48 HIS H H 48 8.753 9.185 -0.432 1
1 543 . 7 1 1 A 48 48 HIS HA H 48 4.826 5.270 -0.444 1
1 547 . 7 1 1 A 48 48 HIS CA C 48 55.978 55.310 0.668 1
1 548 . 7 1 1 A 48 48 HIS CB C 48 30.476 31.526 -1.050 1
1 550 . 7 1 1 A 48 48 HIS N N 48 130.755 123.074 7.681 1
1 551 . 7 1 1 A 49 49 THR H H 49 9.136 8.457 0.679 1
1 552 . 7 1 1 A 49 49 THR HA H 49 5.245 5.099 0.146 1
1 557 . 7 1 1 A 49 49 THR CA C 49 60.941 61.128 -0.187 1
1 558 . 7 1 1 A 49 49 THR CB C 49 71.411 71.082 0.329 1
1 560 . 7 1 1 A 49 49 THR N N 49 118.522 116.761 1.761 1
1 561 . 7 1 1 A 50 50 SER H H 50 9.050 8.925 0.125 1
1 562 . 7 1 1 A 50 50 SER HA H 50 5.348 5.626 -0.278 1
1 565 . 7 1 1 A 50 50 SER CA C 50 55.645 56.666 -1.021 1
1 566 . 7 1 1 A 50 50 SER CB C 50 66.579 66.148 0.431 1
1 567 . 7 1 1 A 50 50 SER N N 50 119.749 121.233 -1.484 1
1 568 . 7 1 1 A 51 51 ASP H H 51 8.843 9.311 -0.468 1
1 569 . 7 1 1 A 51 51 ASP HA H 51 5.363 5.832 -0.469 1
1 572 . 7 1 1 A 51 51 ASP CA C 51 52.879 52.233 0.646 1
1 573 . 7 1 1 A 51 51 ASP CB C 51 45.173 45.084 0.089 1
1 574 . 7 1 1 A 51 51 ASP N N 51 126.330 121.129 5.201 1
1 575 . 7 1 1 A 52 52 ALA H H 52 8.938 9.175 -0.237 1
1 576 . 7 1 1 A 52 52 ALA HA H 52 5.777 5.071 0.706 1
1 580 . 7 1 1 A 52 52 ALA CA C 52 50.806 51.657 -0.851 1
1 581 . 7 1 1 A 52 52 ALA CB C 52 24.676 21.271 3.405 1
1 582 . 7 1 1 A 52 52 ALA N N 52 122.789 122.000 0.789 1
1 583 . 7 1 1 A 53 53 THR H H 53 8.666 8.441 0.225 1
1 584 . 7 1 1 A 53 53 THR HA H 53 4.979 5.145 -0.166 1
1 589 . 7 1 1 A 53 53 THR CA C 53 62.026 61.556 0.470 1
1 590 . 7 1 1 A 53 53 THR CB C 53 70.850 69.013 1.837 1
1 592 . 7 1 1 A 53 53 THR N N 53 118.344 118.458 -0.114 1
1 593 . 7 1 1 A 54 54 LEU H H 54 9.662 8.850 0.812 1
1 594 . 7 1 1 A 54 54 LEU HA H 54 4.921 5.027 -0.106 1
1 604 . 7 1 1 A 54 54 LEU CA C 54 53.923 53.893 0.030 1
1 605 . 7 1 1 A 54 54 LEU CB C 54 43.782 44.270 -0.488 1
1 609 . 7 1 1 A 54 54 LEU N N 54 129.166 127.701 1.465 1
1 610 . 7 1 1 A 55 55 HIS H H 55 8.956 9.131 -0.175 1
1 611 . 7 1 1 A 55 55 HIS HA H 55 4.882 5.144 -0.262 1
1 615 . 7 1 1 A 55 55 HIS CA C 55 56.326 54.885 1.441 1
1 616 . 7 1 1 A 55 55 HIS CB C 55 30.431 32.087 -1.656 1
1 618 . 7 1 1 A 55 55 HIS N N 55 126.094 121.617 4.477 1
1 619 . 7 1 1 A 56 56 VAL H H 56 8.151 8.456 -0.305 1
1 620 . 7 1 1 A 56 56 VAL HA H 56 4.856 4.576 0.280 1
1 628 . 7 1 1 A 56 56 VAL CA C 56 58.734 59.924 -1.190 1
1 629 . 7 1 1 A 56 56 VAL CB C 56 34.523 34.467 0.056 1
1 632 . 7 1 1 A 56 56 VAL N N 56 120.242 116.747 3.495 1
1 633 . 7 1 1 A 57 57 ASN H H 57 8.970 9.011 -0.041 1
1 634 . 7 1 1 A 57 57 ASN HA H 57 4.463 4.389 0.074 1
1 637 . 7 1 1 A 57 57 ASN CA C 57 54.963 55.365 -0.402 1
1 638 . 7 1 1 A 57 57 ASN CB C 57 37.481 37.247 0.234 1
1 639 . 7 1 1 A 57 57 ASN N N 57 124.652 120.734 3.918 1
1 640 . 7 1 1 A 58 58 GLY H H 58 8.868 8.490 0.378 1
1 641 . 7 1 1 A 58 58 GLY HA2 H 58 3.814 3.982 -0.168 1
1 642 . 7 1 1 A 58 58 GLY HA3 H 58 4.152 3.995 0.157 1
1 643 . 7 1 1 A 58 58 GLY CA C 58 45.606 45.535 0.071 1
1 644 . 7 1 1 A 58 58 GLY N N 58 112.816 109.467 3.349 1
1 645 . 7 1 1 A 59 59 GLY H H 59 7.848 8.369 -0.521 1
1 646 . 7 1 1 A 59 59 GLY HA2 H 59 3.978 4.209 -0.231 1
1 647 . 7 1 1 A 59 59 GLY HA3 H 59 4.153 4.239 -0.086 1
1 648 . 7 1 1 A 59 59 GLY CA C 59 45.321 44.815 0.506 1
1 649 . 7 1 1 A 59 59 GLY N N 59 109.857 108.119 1.738 1
1 650 . 7 1 1 A 60 60 GLU H H 60 8.262 8.602 -0.340 1
1 651 . 7 1 1 A 60 60 GLU HA H 60 5.110 4.860 0.250 1
1 656 . 7 1 1 A 60 60 GLU CA C 60 54.756 54.949 -0.193 1
1 657 . 7 1 1 A 60 60 GLU CB C 60 32.933 32.464 0.469 1
1 659 . 7 1 1 A 60 60 GLU N N 60 121.732 120.910 0.822 1
1 660 . 7 1 1 A 61 61 ILE H H 61 8.764 8.747 0.017 1
1 661 . 7 1 1 A 61 61 ILE HA H 61 4.286 4.832 -0.546 1
1 671 . 7 1 1 A 61 61 ILE CA C 61 59.713 60.185 -0.472 1
1 672 . 7 1 1 A 61 61 ILE CB C 61 41.194 39.980 1.214 1
1 676 . 7 1 1 A 61 61 ILE N N 61 124.817 124.601 0.216 1
1 677 . 7 1 1 A 62 62 HIS H H 62 8.907 8.891 0.016 1
1 678 . 7 1 1 A 62 62 HIS HA H 62 5.743 5.203 0.540 1
1 682 . 7 1 1 A 62 62 HIS CA C 62 54.009 53.415 0.594 1
1 683 . 7 1 1 A 62 62 HIS CB C 62 32.365 33.087 -0.722 1
1 685 . 7 1 1 A 62 62 HIS N N 62 127.338 126.901 0.437 1
1 686 . 7 1 1 A 63 63 ALA H H 63 8.298 9.061 -0.763 1
1 687 . 7 1 1 A 63 63 ALA HA H 63 4.480 5.374 -0.894 1
1 691 . 7 1 1 A 63 63 ALA CA C 63 51.764 50.010 1.754 1
1 692 . 7 1 1 A 63 63 ALA CB C 63 23.678 23.058 0.620 1
1 693 . 7 1 1 A 63 63 ALA N N 63 125.511 130.526 -5.015 1
1 694 . 7 1 1 A 64 64 SER H H 64 8.070 8.654 -0.584 1
1 695 . 7 1 1 A 64 64 SER HA H 64 5.286 5.640 -0.354 1
1 698 . 7 1 1 A 64 64 SER CA C 64 56.782 57.639 -0.857 1
1 699 . 7 1 1 A 64 64 SER CB C 64 65.895 65.664 0.231 1
1 700 . 7 1 1 A 64 64 SER N N 64 114.469 115.882 -1.413 1
1 701 . 7 1 1 A 65 65 ALA H H 65 8.904 9.007 -0.103 1
1 702 . 7 1 1 A 65 65 ALA HA H 65 4.669 5.319 -0.650 1
1 706 . 7 1 1 A 65 65 ALA CA C 65 51.753 50.293 1.460 1
1 707 . 7 1 1 A 65 65 ALA CB C 65 22.599 23.256 -0.657 1
1 708 . 7 1 1 A 65 65 ALA N N 65 126.977 127.978 -1.001 1
1 709 . 7 1 1 A 66 66 GLU H H 66 8.200 8.913 -0.713 1
1 710 . 7 1 1 A 66 66 GLU HA H 66 5.680 5.282 0.398 1
1 715 . 7 1 1 A 66 66 GLU CA C 66 53.650 54.619 -0.969 1
1 716 . 7 1 1 A 66 66 GLU CB C 66 33.741 33.700 0.041 1
1 718 . 7 1 1 A 66 66 GLU N N 66 119.267 116.819 2.448 1
1 719 . 7 1 1 A 67 67 GLY H H 67 8.836 8.640 0.196 1
1 720 . 7 1 1 A 67 67 GLY HA2 H 67 4.490 4.411 0.079 1
1 721 . 7 1 1 A 67 67 GLY HA3 H 67 3.728 4.417 -0.689 1
1 722 . 7 1 1 A 67 67 GLY CA C 67 45.157 44.797 0.360 1
1 723 . 7 1 1 A 67 67 GLY N N 67 108.048 107.634 0.414 1
1 724 . 7 1 1 A 68 68 GLN H H 68 8.997 8.679 0.318 1
1 725 . 7 1 1 A 68 68 GLN HA H 68 4.440 3.987 0.453 1
1 730 . 7 1 1 A 68 68 GLN CA C 68 56.996 57.906 -0.910 1
1 731 . 7 1 1 A 68 68 GLN CB C 68 28.694 28.795 -0.101 1
1 733 . 7 1 1 A 68 68 GLN N N 68 119.961 120.190 -0.229 1
1 734 . 7 1 1 A 69 69 ASP H H 69 7.542 7.421 0.121 1
1 735 . 7 1 1 A 69 69 ASP HA H 69 3.242 4.295 -1.053 1
1 738 . 7 1 1 A 69 69 ASP CA C 69 51.838 52.462 -0.624 1
1 739 . 7 1 1 A 69 69 ASP CB C 69 42.829 42.713 0.116 1
1 740 . 7 1 1 A 69 69 ASP N N 69 115.279 113.960 1.319 1
1 741 . 7 1 1 A 70 70 MET H H 70 8.409 8.709 -0.300 1
1 742 . 7 1 1 A 70 70 MET HA H 70 4.200 4.256 -0.056 1
1 747 . 7 1 1 A 70 70 MET CA C 70 56.505 58.011 -1.506 1
1 748 . 7 1 1 A 70 70 MET CB C 70 31.533 32.290 -0.757 1
1 750 . 7 1 1 A 70 70 MET N N 70 120.495 118.591 1.904 1
1 751 . 7 1 1 A 71 71 TYR H H 71 7.304 7.099 0.205 1
1 752 . 7 1 1 A 71 71 TYR HA H 71 3.832 4.207 -0.375 1
1 757 . 7 1 1 A 71 71 TYR CA C 71 60.141 60.504 -0.363 1
1 758 . 7 1 1 A 71 71 TYR CB C 71 35.788 38.889 -3.101 1
1 761 . 7 1 1 A 71 71 TYR N N 71 120.024 117.910 2.114 1
1 762 . 7 1 1 A 72 72 ALA H H 72 8.474 8.823 -0.349 1
1 763 . 7 1 1 A 72 72 ALA HA H 72 4.213 3.969 0.244 1
1 767 . 7 1 1 A 72 72 ALA CA C 72 54.526 55.137 -0.611 1
1 768 . 7 1 1 A 72 72 ALA CB C 72 18.884 18.172 0.712 1
1 769 . 7 1 1 A 72 72 ALA N N 72 123.384 122.947 0.437 1
1 770 . 7 1 1 A 73 73 ALA H H 73 7.595 7.960 -0.365 1
1 771 . 7 1 1 A 73 73 ALA HA H 73 3.731 4.139 -0.408 1
1 775 . 7 1 1 A 73 73 ALA CA C 73 55.647 54.871 0.776 1
1 776 . 7 1 1 A 73 73 ALA CB C 73 17.460 18.488 -1.028 1
1 777 . 7 1 1 A 73 73 ALA N N 73 123.415 120.039 3.376 1
1 778 . 7 1 1 A 74 74 ILE H H 74 7.958 7.883 0.075 1
1 779 . 7 1 1 A 74 74 ILE HA H 74 3.692 3.882 -0.190 1
1 789 . 7 1 1 A 74 74 ILE CA C 74 63.902 64.721 -0.819 1
1 790 . 7 1 1 A 74 74 ILE CB C 74 37.010 37.256 -0.246 1
1 794 . 7 1 1 A 74 74 ILE N N 74 119.834 119.029 0.805 1
1 795 . 7 1 1 A 75 75 ASP H H 75 8.468 8.173 0.295 1
1 796 . 7 1 1 A 75 75 ASP HA H 75 4.282 4.302 -0.020 1
1 799 . 7 1 1 A 75 75 ASP CA C 75 58.107 57.307 0.800 1
1 800 . 7 1 1 A 75 75 ASP CB C 75 40.628 40.758 -0.130 1
1 801 . 7 1 1 A 75 75 ASP N N 75 122.091 122.079 0.012 1
1 802 . 7 1 1 A 76 76 GLY H H 76 8.041 8.291 -0.250 1
1 803 . 7 1 1 A 76 76 GLY HA2 H 76 3.845 3.698 0.147 1
1 804 . 7 1 1 A 76 76 GLY HA3 H 76 3.863 3.701 0.162 1
1 805 . 7 1 1 A 76 76 GLY CA C 76 46.668 47.358 -0.690 1
1 806 . 7 1 1 A 76 76 GLY N N 76 108.081 107.488 0.593 1
1 807 . 7 1 1 A 77 77 LEU H H 77 8.088 7.934 0.154 1
1 808 . 7 1 1 A 77 77 LEU HA H 77 3.709 4.202 -0.493 1
1 818 . 7 1 1 A 77 77 LEU CA C 77 57.865 57.198 0.667 1
1 819 . 7 1 1 A 77 77 LEU CB C 77 41.828 41.605 0.223 1
1 823 . 7 1 1 A 77 77 LEU N N 77 126.711 122.662 4.049 1
1 824 . 7 1 1 A 78 78 ILE H H 78 8.155 8.322 -0.167 1
1 825 . 7 1 1 A 78 78 ILE HA H 78 3.316 3.722 -0.406 1
1 835 . 7 1 1 A 78 78 ILE CA C 78 62.813 63.461 -0.648 1
1 836 . 7 1 1 A 78 78 ILE CB C 78 34.810 37.279 -2.469 1
1 840 . 7 1 1 A 78 78 ILE N N 78 120.409 119.360 1.049 1
1 841 . 7 1 1 A 79 79 ASP H H 79 7.408 7.881 -0.473 1
1 842 . 7 1 1 A 79 79 ASP HA H 79 4.274 4.326 -0.052 1
1 845 . 7 1 1 A 79 79 ASP CA C 79 57.605 57.355 0.250 1
1 846 . 7 1 1 A 79 79 ASP CB C 79 41.017 41.135 -0.118 1
1 847 . 7 1 1 A 79 79 ASP N N 79 120.497 122.367 -1.870 1
1 848 . 7 1 1 A 80 80 LYS H H 80 7.536 7.932 -0.396 1
1 849 . 7 1 1 A 80 80 LYS HA H 80 3.931 4.082 -0.151 1
1 858 . 7 1 1 A 80 80 LYS CA C 80 59.952 58.990 0.962 1
1 859 . 7 1 1 A 80 80 LYS CB C 80 33.221 31.617 1.604 1
1 863 . 7 1 1 A 80 80 LYS N N 80 119.684 118.166 1.518 1
1 864 . 7 1 1 A 81 81 LEU H H 81 8.473 7.736 0.737 1
1 865 . 7 1 1 A 81 81 LEU HA H 81 3.765 3.990 -0.225 1
1 875 . 7 1 1 A 81 81 LEU CA C 81 57.564 57.757 -0.193 1
1 876 . 7 1 1 A 81 81 LEU CB C 81 42.473 41.746 0.727 1
1 880 . 7 1 1 A 81 81 LEU N N 81 121.519 120.780 0.739 1
1 881 . 7 1 1 A 82 82 ALA H H 82 8.682 8.178 0.504 1
1 882 . 7 1 1 A 82 82 ALA HA H 82 3.479 4.324 -0.845 1
1 886 . 7 1 1 A 82 82 ALA CA C 82 55.731 55.869 -0.138 1
1 887 . 7 1 1 A 82 82 ALA CB C 82 17.388 18.496 -1.108 1
1 888 . 7 1 1 A 82 82 ALA N N 82 123.814 121.382 2.432 1
1 889 . 7 1 1 A 83 83 ARG H H 83 7.329 7.875 -0.546 1
1 890 . 7 1 1 A 83 83 ARG HA H 83 3.981 4.253 -0.272 1
1 897 . 7 1 1 A 83 83 ARG CA C 83 59.137 59.726 -0.589 1
1 898 . 7 1 1 A 83 83 ARG CB C 83 29.971 30.066 -0.095 1
1 901 . 7 1 1 A 83 83 ARG N N 83 118.219 117.819 0.400 1
1 902 . 7 1 1 A 84 84 GLN H H 84 7.750 7.515 0.235 1
1 903 . 7 1 1 A 84 84 GLN HA H 84 4.047 4.058 -0.011 1
1 906 . 7 1 1 A 84 84 GLN CA C 84 58.685 58.391 0.294 1
1 907 . 7 1 1 A 84 84 GLN CB C 84 29.903 28.265 1.638 1
1 909 . 7 1 1 A 84 84 GLN N N 84 119.887 119.275 0.612 1
1 910 . 7 1 1 A 85 85 LEU H H 85 8.610 8.006 0.604 1
1 911 . 7 1 1 A 85 85 LEU HA H 85 3.788 3.455 0.333 1
1 920 . 7 1 1 A 85 85 LEU CA C 85 57.600 57.250 0.350 1
1 921 . 7 1 1 A 85 85 LEU CB C 85 41.178 40.672 0.506 1
1 925 . 7 1 1 A 85 85 LEU N N 85 122.951 119.753 3.198 1
1 926 . 7 1 1 A 86 86 THR H H 86 7.709 7.846 -0.137 1
1 927 . 7 1 1 A 86 86 THR HA H 86 4.056 3.982 0.074 1
1 932 . 7 1 1 A 86 86 THR CA C 86 65.924 66.063 -0.139 1
1 933 . 7 1 1 A 86 86 THR CB C 86 68.870 68.406 0.464 1
1 935 . 7 1 1 A 86 86 THR N N 86 116.282 110.630 5.652 1
1 936 . 7 1 1 A 87 87 LYS H H 87 7.457 7.569 -0.112 1
1 937 . 7 1 1 A 87 87 LYS HA H 87 4.102 3.887 0.215 1
1 946 . 7 1 1 A 87 87 LYS CA C 87 58.289 59.482 -1.193 1
1 947 . 7 1 1 A 87 87 LYS CB C 87 32.293 32.137 0.156 1
1 951 . 7 1 1 A 87 87 LYS N N 87 122.670 122.780 -0.110 1
1 952 . 7 1 1 A 88 88 HIS H H 88 7.928 7.999 -0.071 1
1 953 . 7 1 1 A 88 88 HIS HA H 88 4.301 4.413 -0.112 1
1 957 . 7 1 1 A 88 88 HIS CA C 88 58.361 58.484 -0.123 1
1 958 . 7 1 1 A 88 88 HIS CB C 88 30.766 28.177 2.589 1
1 960 . 7 1 1 A 88 88 HIS N N 88 121.382 116.931 4.451 1
1 961 . 7 1 1 A 89 89 LYS H H 89 7.928 7.931 -0.003 1
1 962 . 7 1 1 A 89 89 LYS HA H 89 3.934 4.057 -0.123 1
1 971 . 7 1 1 A 89 89 LYS CA C 89 58.568 58.972 -0.404 1
1 972 . 7 1 1 A 89 89 LYS CB C 89 32.489 31.707 0.782 1
1 976 . 7 1 1 A 89 89 LYS N N 89 121.821 120.969 0.852 1
1 977 . 7 1 1 A 90 90 ASP H H 90 8.143 8.048 0.095 1
1 978 . 7 1 1 A 90 90 ASP HA H 90 4.445 4.372 0.073 1
1 981 . 7 1 1 A 90 90 ASP CA C 90 55.869 57.494 -1.625 1
1 982 . 7 1 1 A 90 90 ASP CB C 90 40.715 41.123 -0.408 1
1 983 . 7 1 1 A 90 90 ASP N N 90 121.199 119.737 1.462 1
1 984 . 7 1 1 A 91 91 LYS H H 91 7.867 8.392 -0.525 1
1 985 . 7 1 1 A 91 91 LYS HA H 91 4.130 4.151 -0.021 1
1 994 . 7 1 1 A 91 91 LYS CA C 91 57.421 59.005 -1.584 1
1 995 . 7 1 1 A 91 91 LYS CB C 91 32.365 32.268 0.097 1
1 999 . 7 1 1 A 91 91 LYS N N 91 121.976 117.767 4.209 1
1 1000 . 7 1 1 A 92 92 LEU H H 92 7.709 8.178 -0.469 1
1 1001 . 7 1 1 A 92 92 LEU HA H 92 4.171 4.479 -0.308 1
1 1011 . 7 1 1 A 92 92 LEU CA C 92 55.449 54.338 1.111 1
1 1012 . 7 1 1 A 92 92 LEU CB C 92 41.871 41.738 0.133 1
1 1016 . 7 1 1 A 92 92 LEU N N 92 121.802 119.138 2.664 1
1 1017 . 7 1 1 A 93 93 LYS H H 93 7.751 8.837 -1.086 1
1 1018 . 7 1 1 A 93 93 LYS HA H 93 4.197 4.827 -0.630 1
1 1027 . 7 1 1 A 93 93 LYS CA C 93 56.420 54.741 1.679 1
1 1028 . 7 1 1 A 93 93 LYS CB C 93 32.792 34.609 -1.817 1
1 1032 . 7 1 1 A 93 93 LYS N N 93 121.954 124.161 -2.207 1
1 1033 . 7 1 1 A 94 94 GLN H H 94 8.129 8.994 -0.865 1
1 1034 . 7 1 1 A 94 94 GLN HA H 94 4.208 5.075 -0.867 1
1 1039 . 7 1 1 A 94 94 GLN CA C 94 55.891 53.961 1.930 1
1 1040 . 7 1 1 A 94 94 GLN CB C 94 29.236 31.485 -2.249 1
1 1042 . 7 1 1 A 94 94 GLN N N 94 123.165 117.390 5.775 1
1 1 . 8 1 1 A 2 2 GLN H H 2 7.809 8.142 -0.333 1
1 2 . 8 1 1 A 2 2 GLN HA H 2 4.394 4.675 -0.281 1
1 7 . 8 1 1 A 2 2 GLN CA C 2 55.124 54.785 0.339 1
1 8 . 8 1 1 A 2 2 GLN CB C 2 30.385 29.595 0.790 1
1 10 . 8 1 1 A 2 2 GLN N N 2 126.586 118.323 8.263 1
1 11 . 8 1 1 A 3 3 LEU H H 3 8.598 8.868 -0.270 1
1 12 . 8 1 1 A 3 3 LEU HA H 3 4.380 5.572 -1.192 1
1 22 . 8 1 1 A 3 3 LEU CA C 3 54.590 52.534 2.056 1
1 23 . 8 1 1 A 3 3 LEU CB C 3 43.701 45.577 -1.876 1
1 27 . 8 1 1 A 3 3 LEU N N 3 128.942 120.544 8.398 1
1 28 . 8 1 1 A 4 4 ASN H H 4 8.227 8.618 -0.391 1
1 29 . 8 1 1 A 4 4 ASN HA H 4 4.864 5.332 -0.468 1
1 32 . 8 1 1 A 4 4 ASN CA C 4 52.628 51.977 0.651 1
1 33 . 8 1 1 A 4 4 ASN CB C 4 41.258 42.959 -1.701 1
1 34 . 8 1 1 A 4 4 ASN N N 4 127.137 118.459 8.678 1
1 35 . 8 1 1 A 5 5 ILE H H 5 8.659 8.502 0.157 1
1 36 . 8 1 1 A 5 5 ILE HA H 5 4.901 5.238 -0.337 1
1 46 . 8 1 1 A 5 5 ILE CA C 5 60.288 59.675 0.613 1
1 47 . 8 1 1 A 5 5 ILE CB C 5 40.902 41.318 -0.416 1
1 51 . 8 1 1 A 5 5 ILE N N 5 126.355 121.549 4.806 1
1 52 . 8 1 1 A 6 6 THR H H 6 8.796 8.707 0.089 1
1 53 . 8 1 1 A 6 6 THR HA H 6 4.654 4.847 -0.193 1
1 58 . 8 1 1 A 6 6 THR CA C 6 60.751 61.244 -0.493 1
1 59 . 8 1 1 A 6 6 THR CB C 6 71.993 71.459 0.534 1
1 61 . 8 1 1 A 6 6 THR N N 6 123.546 121.955 1.591 1
1 62 . 8 1 1 A 7 7 GLY H H 7 8.833 9.191 -0.358 1
1 63 . 8 1 1 A 7 7 GLY HA2 H 7 3.764 4.278 -0.514 1
1 64 . 8 1 1 A 7 7 GLY HA3 H 7 5.071 4.280 0.791 1
1 65 . 8 1 1 A 7 7 GLY CA C 7 44.318 44.529 -0.211 1
1 66 . 8 1 1 A 7 7 GLY N N 7 112.240 114.414 -2.174 1
1 67 . 8 1 1 A 8 8 ASN H H 8 8.962 8.268 0.694 1
1 68 . 8 1 1 A 8 8 ASN HA H 8 4.828 5.390 -0.562 1
1 71 . 8 1 1 A 8 8 ASN CA C 8 52.799 52.307 0.492 1
1 72 . 8 1 1 A 8 8 ASN CB C 8 39.244 38.757 0.487 1
1 73 . 8 1 1 A 8 8 ASN N N 8 124.384 119.069 5.315 1
1 74 . 8 1 1 A 9 9 ASN H H 9 8.756 9.058 -0.302 1
1 75 . 8 1 1 A 9 9 ASN HA H 9 4.248 4.325 -0.077 1
1 78 . 8 1 1 A 9 9 ASN CA C 9 53.998 54.238 -0.240 1
1 79 . 8 1 1 A 9 9 ASN CB C 9 37.231 37.622 -0.391 1
1 80 . 8 1 1 A 9 9 ASN N N 9 120.082 118.176 1.906 1
1 81 . 8 1 1 A 10 10 VAL H H 10 6.825 7.751 -0.926 1
1 82 . 8 1 1 A 10 10 VAL HA H 10 4.097 4.642 -0.545 1
1 90 . 8 1 1 A 10 10 VAL CA C 10 60.425 60.258 0.167 1
1 91 . 8 1 1 A 10 10 VAL CB C 10 34.765 35.394 -0.629 1
1 94 . 8 1 1 A 10 10 VAL N N 10 115.342 117.552 -2.210 1
1 95 . 8 1 1 A 11 11 GLU H H 11 8.347 8.611 -0.264 1
1 96 . 8 1 1 A 11 11 GLU HA H 11 4.174 4.711 -0.537 1
1 101 . 8 1 1 A 11 11 GLU CA C 11 55.442 55.950 -0.508 1
1 102 . 8 1 1 A 11 11 GLU CB C 11 30.114 31.023 -0.909 1
1 104 . 8 1 1 A 11 11 GLU N N 11 129.115 127.695 1.420 1
1 105 . 8 1 1 A 12 12 ILE H H 12 8.942 8.952 -0.010 1
1 106 . 8 1 1 A 12 12 ILE HA H 12 4.034 4.530 -0.496 1
1 116 . 8 1 1 A 12 12 ILE CA C 12 58.894 60.559 -1.665 1
1 117 . 8 1 1 A 12 12 ILE CB C 12 33.240 37.606 -4.366 1
1 121 . 8 1 1 A 12 12 ILE N N 12 128.622 128.518 0.104 1
1 122 . 8 1 1 A 13 13 THR H H 13 6.818 8.441 -1.623 1
1 123 . 8 1 1 A 13 13 THR HA H 13 4.429 4.866 -0.437 1
1 128 . 8 1 1 A 13 13 THR CA C 13 60.052 59.800 0.252 1
1 129 . 8 1 1 A 13 13 THR CB C 13 70.842 71.608 -0.766 1
1 131 . 8 1 1 A 13 13 THR N N 13 119.687 119.198 0.489 1
1 132 . 8 1 1 A 14 14 GLU H H 14 8.969 9.024 -0.055 1
1 133 . 8 1 1 A 14 14 GLU HA H 14 4.024 4.020 0.004 1
1 138 . 8 1 1 A 14 14 GLU CA C 14 59.794 60.267 -0.473 1
1 139 . 8 1 1 A 14 14 GLU CB C 14 28.845 29.465 -0.620 1
1 141 . 8 1 1 A 14 14 GLU N N 14 123.290 122.353 0.937 1
1 142 . 8 1 1 A 15 15 ALA H H 15 8.334 7.762 0.572 1
1 143 . 8 1 1 A 15 15 ALA HA H 15 4.151 4.173 -0.022 1
1 147 . 8 1 1 A 15 15 ALA CA C 15 55.076 55.265 -0.189 1
1 148 . 8 1 1 A 15 15 ALA CB C 15 18.008 18.461 -0.453 1
1 149 . 8 1 1 A 15 15 ALA N N 15 121.958 122.243 -0.285 1
1 150 . 8 1 1 A 16 16 LEU H H 16 7.765 8.248 -0.483 1
1 151 . 8 1 1 A 16 16 LEU HA H 16 4.240 4.219 0.021 1
1 161 . 8 1 1 A 16 16 LEU CA C 16 57.674 58.422 -0.748 1
1 162 . 8 1 1 A 16 16 LEU CB C 16 42.122 41.892 0.230 1
1 166 . 8 1 1 A 16 16 LEU N N 16 123.064 118.927 4.137 1
1 167 . 8 1 1 A 17 17 ARG H H 17 8.627 8.556 0.071 1
1 168 . 8 1 1 A 17 17 ARG HA H 17 3.595 4.074 -0.479 1
1 175 . 8 1 1 A 17 17 ARG CA C 17 60.573 59.231 1.342 1
1 176 . 8 1 1 A 17 17 ARG CB C 17 29.679 30.247 -0.568 1
1 179 . 8 1 1 A 17 17 ARG N N 17 121.878 118.325 3.553 1
1 180 . 8 1 1 A 18 18 GLU H H 18 8.665 8.182 0.483 1
1 181 . 8 1 1 A 18 18 GLU HA H 18 3.952 4.114 -0.162 1
1 186 . 8 1 1 A 18 18 GLU CA C 18 59.654 59.419 0.235 1
1 187 . 8 1 1 A 18 18 GLU CB C 18 29.301 29.670 -0.369 1
1 189 . 8 1 1 A 18 18 GLU N N 18 123.257 119.728 3.529 1
1 190 . 8 1 1 A 19 19 PHE H H 19 8.026 8.597 -0.571 1
1 191 . 8 1 1 A 19 19 PHE HA H 19 4.258 4.119 0.139 1
1 195 . 8 1 1 A 19 19 PHE CA C 19 61.640 61.070 0.570 1
1 196 . 8 1 1 A 19 19 PHE CB C 19 39.547 39.084 0.463 1
1 198 . 8 1 1 A 19 19 PHE N N 19 123.888 122.110 1.778 1
1 199 . 8 1 1 A 20 20 VAL H H 20 8.734 8.016 0.718 1
1 200 . 8 1 1 A 20 20 VAL HA H 20 3.336 3.542 -0.206 1
1 208 . 8 1 1 A 20 20 VAL CA C 20 67.245 66.461 0.784 1
1 209 . 8 1 1 A 20 20 VAL CB C 20 31.965 31.860 0.105 1
1 212 . 8 1 1 A 20 20 VAL N N 20 119.762 118.694 1.068 1
1 213 . 8 1 1 A 21 21 THR H H 21 8.213 8.193 0.020 1
1 214 . 8 1 1 A 21 21 THR HA H 21 3.615 4.027 -0.412 1
1 218 . 8 1 1 A 21 21 THR CA C 21 67.657 66.413 1.244 1
1 219 . 8 1 1 A 21 21 THR CB C 21 68.697 68.295 0.402 1
1 221 . 8 1 1 A 21 21 THR N N 21 117.446 115.137 2.309 1
1 222 . 8 1 1 A 22 22 ALA H H 22 8.050 8.698 -0.648 1
1 223 . 8 1 1 A 22 22 ALA HA H 22 4.084 3.970 0.114 1
1 227 . 8 1 1 A 22 22 ALA CA C 22 54.998 55.570 -0.572 1
1 228 . 8 1 1 A 22 22 ALA CB C 22 17.880 18.756 -0.876 1
1 229 . 8 1 1 A 22 22 ALA N N 22 125.291 123.377 1.914 1
1 230 . 8 1 1 A 23 23 LYS H H 23 7.868 7.538 0.330 1
1 231 . 8 1 1 A 23 23 LYS HA H 23 3.886 3.860 0.026 1
1 240 . 8 1 1 A 23 23 LYS CA C 23 57.286 58.910 -1.624 1
1 241 . 8 1 1 A 23 23 LYS CB C 23 30.651 32.111 -1.460 1
1 245 . 8 1 1 A 23 23 LYS N N 23 119.332 117.373 1.959 1
1 246 . 8 1 1 A 24 24 PHE H H 24 8.369 8.134 0.235 1
1 247 . 8 1 1 A 24 24 PHE HA H 24 3.805 4.386 -0.581 1
1 252 . 8 1 1 A 24 24 PHE CA C 24 62.055 59.921 2.134 1
1 253 . 8 1 1 A 24 24 PHE CB C 24 38.744 38.507 0.237 1
1 256 . 8 1 1 A 24 24 PHE N N 24 119.142 118.444 0.698 1
1 257 . 8 1 1 A 25 25 ALA H H 25 7.879 8.314 -0.435 1
1 258 . 8 1 1 A 25 25 ALA HA H 25 4.140 4.121 0.019 1
1 262 . 8 1 1 A 25 25 ALA CA C 25 55.014 55.264 -0.250 1
1 263 . 8 1 1 A 25 25 ALA CB C 25 17.773 18.258 -0.485 1
1 264 . 8 1 1 A 25 25 ALA N N 25 123.500 121.764 1.736 1
1 265 . 8 1 1 A 26 26 LYS H H 26 7.217 7.565 -0.348 1
1 266 . 8 1 1 A 26 26 LYS HA H 26 4.024 3.848 0.176 1
1 275 . 8 1 1 A 26 26 LYS CA C 26 58.189 59.019 -0.830 1
1 276 . 8 1 1 A 26 26 LYS CB C 26 32.033 32.167 -0.134 1
1 280 . 8 1 1 A 26 26 LYS N N 26 118.541 118.338 0.203 1
1 281 . 8 1 1 A 27 27 LEU H H 27 7.773 7.726 0.047 1
1 282 . 8 1 1 A 27 27 LEU HA H 27 4.257 3.275 0.982 1
1 292 . 8 1 1 A 27 27 LEU CA C 27 55.889 56.277 -0.388 1
1 293 . 8 1 1 A 27 27 LEU CB C 27 41.083 41.784 -0.701 1
1 297 . 8 1 1 A 27 27 LEU N N 27 118.340 119.906 -1.566 1
1 298 . 8 1 1 A 28 28 GLU H H 28 7.296 8.273 -0.977 1
1 299 . 8 1 1 A 28 28 GLU HA H 28 3.489 4.417 -0.928 1
1 304 . 8 1 1 A 28 28 GLU CA C 28 58.336 58.797 -0.461 1
1 305 . 8 1 1 A 28 28 GLU CB C 28 29.265 29.511 -0.246 1
1 307 . 8 1 1 A 28 28 GLU N N 28 119.557 119.177 0.380 1
1 308 . 8 1 1 A 29 29 GLN H H 29 7.783 7.561 0.222 1
1 309 . 8 1 1 A 29 29 GLN HA H 29 3.923 3.975 -0.052 1
1 314 . 8 1 1 A 29 29 GLN CA C 29 57.387 58.390 -1.003 1
1 315 . 8 1 1 A 29 29 GLN CB C 29 28.082 28.636 -0.554 1
1 317 . 8 1 1 A 29 29 GLN N N 29 117.927 119.891 -1.964 1
1 318 . 8 1 1 A 30 30 TYR H H 30 7.731 6.831 0.900 1
1 319 . 8 1 1 A 30 30 TYR HA H 30 4.433 4.431 0.002 1
1 324 . 8 1 1 A 30 30 TYR CA C 30 58.371 57.892 0.479 1
1 325 . 8 1 1 A 30 30 TYR CB C 30 39.297 38.846 0.451 1
1 328 . 8 1 1 A 30 30 TYR N N 30 118.639 118.496 0.143 1
1 329 . 8 1 1 A 31 31 PHE H H 31 7.652 7.929 -0.277 1
1 330 . 8 1 1 A 31 31 PHE HA H 31 4.605 4.973 -0.368 1
1 334 . 8 1 1 A 31 31 PHE CA C 31 58.507 57.676 0.831 1
1 335 . 8 1 1 A 31 31 PHE CB C 31 40.438 40.060 0.378 1
1 337 . 8 1 1 A 31 31 PHE N N 31 119.753 119.590 0.163 1
1 338 . 8 1 1 A 32 32 ASP H H 32 8.087 9.216 -1.129 1
1 339 . 8 1 1 A 32 32 ASP HA H 32 4.465 4.936 -0.471 1
1 342 . 8 1 1 A 32 32 ASP CA C 32 55.094 54.193 0.901 1
1 343 . 8 1 1 A 32 32 ASP CB C 32 40.511 42.231 -1.720 1
1 344 . 8 1 1 A 32 32 ASP N N 32 121.865 125.488 -3.623 1
1 345 . 8 1 1 A 33 33 ARG H H 33 7.083 7.944 -0.861 1
1 346 . 8 1 1 A 33 33 ARG HA H 33 4.412 4.511 -0.099 1
1 353 . 8 1 1 A 33 33 ARG CA C 33 55.082 55.674 -0.592 1
1 354 . 8 1 1 A 33 33 ARG CB C 33 30.409 28.522 1.887 1
1 357 . 8 1 1 A 33 33 ARG N N 33 119.603 116.805 2.798 1
1 358 . 8 1 1 A 34 34 ILE H H 34 8.139 7.706 0.433 1
1 359 . 8 1 1 A 34 34 ILE HA H 34 4.051 4.790 -0.739 1
1 369 . 8 1 1 A 34 34 ILE CA C 34 61.543 60.725 0.818 1
1 370 . 8 1 1 A 34 34 ILE CB C 34 39.510 41.185 -1.675 1
1 374 . 8 1 1 A 34 34 ILE N N 34 123.576 122.783 0.793 1
1 375 . 8 1 1 A 35 35 ASN H H 35 8.560 8.840 -0.280 1
1 376 . 8 1 1 A 35 35 ASN HA H 35 4.870 4.905 -0.035 1
1 379 . 8 1 1 A 35 35 ASN CA C 35 53.877 53.969 -0.092 1
1 380 . 8 1 1 A 35 35 ASN CB C 35 38.806 39.511 -0.705 1
1 381 . 8 1 1 A 35 35 ASN N N 35 126.934 121.049 5.885 1
1 382 . 8 1 1 A 36 36 GLN H H 36 7.843 7.871 -0.028 1
1 383 . 8 1 1 A 36 36 GLN HA H 36 4.519 5.305 -0.786 1
1 388 . 8 1 1 A 36 36 GLN CA C 36 56.345 54.306 2.039 1
1 389 . 8 1 1 A 36 36 GLN CB C 36 31.240 30.997 0.243 1
1 391 . 8 1 1 A 36 36 GLN N N 36 120.673 118.184 2.489 1
1 392 . 8 1 1 A 37 37 VAL H H 37 8.330 8.507 -0.177 1
1 393 . 8 1 1 A 37 37 VAL HA H 37 4.693 4.745 -0.052 1
1 401 . 8 1 1 A 37 37 VAL CA C 37 60.789 61.147 -0.358 1
1 402 . 8 1 1 A 37 37 VAL CB C 37 34.740 34.611 0.129 1
1 405 . 8 1 1 A 37 37 VAL N N 37 123.403 126.247 -2.844 1
1 406 . 8 1 1 A 38 38 TYR H H 38 8.943 8.025 0.918 1
1 407 . 8 1 1 A 38 38 TYR HA H 38 5.039 5.996 -0.957 1
1 412 . 8 1 1 A 38 38 TYR CA C 38 57.028 55.340 1.688 1
1 413 . 8 1 1 A 38 38 TYR CB C 38 39.705 41.895 -2.190 1
1 416 . 8 1 1 A 38 38 TYR N N 38 129.202 123.396 5.806 1
1 417 . 8 1 1 A 39 39 VAL H H 39 9.053 8.811 0.242 1
1 418 . 8 1 1 A 39 39 VAL HA H 39 5.048 5.248 -0.200 1
1 426 . 8 1 1 A 39 39 VAL CA C 39 60.685 61.093 -0.408 1
1 427 . 8 1 1 A 39 39 VAL CB C 39 34.107 34.926 -0.819 1
1 430 . 8 1 1 A 39 39 VAL N N 39 127.771 123.561 4.210 1
1 431 . 8 1 1 A 40 40 VAL H H 40 9.276 8.879 0.397 1
1 432 . 8 1 1 A 40 40 VAL HA H 40 4.862 5.176 -0.314 1
1 440 . 8 1 1 A 40 40 VAL CA C 40 60.896 61.053 -0.157 1
1 441 . 8 1 1 A 40 40 VAL CB C 40 34.411 35.561 -1.150 1
1 444 . 8 1 1 A 40 40 VAL N N 40 130.939 126.321 4.618 1
1 445 . 8 1 1 A 41 41 LEU H H 41 8.714 8.928 -0.214 1
1 446 . 8 1 1 A 41 41 LEU HA H 41 5.111 5.529 -0.418 1
1 456 . 8 1 1 A 41 41 LEU CA C 41 53.150 52.975 0.175 1
1 457 . 8 1 1 A 41 41 LEU CB C 41 42.538 45.322 -2.784 1
1 461 . 8 1 1 A 41 41 LEU N N 41 130.200 125.779 4.421 1
1 462 . 8 1 1 A 42 42 LYS H H 42 8.955 9.744 -0.789 1
1 463 . 8 1 1 A 42 42 LYS HA H 42 5.180 5.592 -0.412 1
1 472 . 8 1 1 A 42 42 LYS CA C 42 55.017 54.872 0.145 1
1 473 . 8 1 1 A 42 42 LYS CB C 42 36.649 35.029 1.620 1
1 477 . 8 1 1 A 42 42 LYS N N 42 124.155 123.009 1.146 1
1 478 . 8 1 1 A 43 43 VAL H H 43 7.515 8.262 -0.747 1
1 479 . 8 1 1 A 43 43 VAL HA H 43 4.360 4.714 -0.354 1
1 487 . 8 1 1 A 43 43 VAL CA C 43 61.230 61.375 -0.145 1
1 488 . 8 1 1 A 43 43 VAL CB C 43 33.656 32.935 0.721 1
1 491 . 8 1 1 A 43 43 VAL N N 43 124.332 125.910 -1.578 1
1 492 . 8 1 1 A 44 44 GLU H H 44 8.092 8.331 -0.239 1
1 493 . 8 1 1 A 44 44 GLU HA H 44 4.368 4.786 -0.418 1
1 498 . 8 1 1 A 44 44 GLU CA C 44 55.445 54.283 1.162 1
1 499 . 8 1 1 A 44 44 GLU CB C 44 31.404 33.141 -1.737 1
1 501 . 8 1 1 A 44 44 GLU N N 44 130.594 125.800 4.794 1
1 502 . 8 1 1 A 45 45 LYS H H 45 8.982 8.727 0.255 1
1 503 . 8 1 1 A 45 45 LYS HA H 45 3.695 3.896 -0.201 1
1 512 . 8 1 1 A 45 45 LYS CA C 45 59.588 58.907 0.681 1
1 513 . 8 1 1 A 45 45 LYS CB C 45 30.077 32.139 -2.062 1
1 517 . 8 1 1 A 45 45 LYS N N 45 125.587 120.948 4.639 1
1 518 . 8 1 1 A 46 46 VAL H H 46 7.710 7.407 0.303 1
1 519 . 8 1 1 A 46 46 VAL HA H 46 4.346 4.099 0.247 1
1 527 . 8 1 1 A 46 46 VAL CA C 46 61.342 63.971 -2.629 1
1 528 . 8 1 1 A 46 46 VAL CB C 46 31.917 32.055 -0.138 1
1 531 . 8 1 1 A 46 46 VAL N N 46 115.763 114.026 1.737 1
1 532 . 8 1 1 A 47 47 THR H H 47 8.151 7.729 0.422 1
1 533 . 8 1 1 A 47 47 THR HA H 47 4.397 5.219 -0.822 1
1 538 . 8 1 1 A 47 47 THR CA C 47 63.072 61.086 1.986 1
1 539 . 8 1 1 A 47 47 THR CB C 47 69.615 72.337 -2.722 1
1 541 . 8 1 1 A 47 47 THR N N 47 120.888 113.490 7.398 1
1 542 . 8 1 1 A 48 48 HIS H H 48 8.753 9.144 -0.391 1
1 543 . 8 1 1 A 48 48 HIS HA H 48 4.826 5.419 -0.593 1
1 547 . 8 1 1 A 48 48 HIS CA C 48 55.978 54.890 1.088 1
1 548 . 8 1 1 A 48 48 HIS CB C 48 30.476 31.195 -0.719 1
1 550 . 8 1 1 A 48 48 HIS N N 48 130.755 123.508 7.247 1
1 551 . 8 1 1 A 49 49 THR H H 49 9.136 8.588 0.548 1
1 552 . 8 1 1 A 49 49 THR HA H 49 5.245 5.164 0.081 1
1 557 . 8 1 1 A 49 49 THR CA C 49 60.941 61.198 -0.257 1
1 558 . 8 1 1 A 49 49 THR CB C 49 71.411 72.082 -0.671 1
1 560 . 8 1 1 A 49 49 THR N N 49 118.522 117.548 0.974 1
1 561 . 8 1 1 A 50 50 SER H H 50 9.050 8.995 0.055 1
1 562 . 8 1 1 A 50 50 SER HA H 50 5.348 5.566 -0.218 1
1 565 . 8 1 1 A 50 50 SER CA C 50 55.645 56.705 -1.060 1
1 566 . 8 1 1 A 50 50 SER CB C 50 66.579 66.303 0.276 1
1 567 . 8 1 1 A 50 50 SER N N 50 119.749 119.448 0.301 1
1 568 . 8 1 1 A 51 51 ASP H H 51 8.843 9.597 -0.754 1
1 569 . 8 1 1 A 51 51 ASP HA H 51 5.363 5.929 -0.566 1
1 572 . 8 1 1 A 51 51 ASP CA C 51 52.879 52.336 0.543 1
1 573 . 8 1 1 A 51 51 ASP CB C 51 45.173 45.519 -0.346 1
1 574 . 8 1 1 A 51 51 ASP N N 51 126.330 121.052 5.278 1
1 575 . 8 1 1 A 52 52 ALA H H 52 8.938 8.999 -0.061 1
1 576 . 8 1 1 A 52 52 ALA HA H 52 5.777 5.105 0.672 1
1 580 . 8 1 1 A 52 52 ALA CA C 52 50.806 51.656 -0.850 1
1 581 . 8 1 1 A 52 52 ALA CB C 52 24.676 21.590 3.086 1
1 582 . 8 1 1 A 52 52 ALA N N 52 122.789 121.945 0.844 1
1 583 . 8 1 1 A 53 53 THR H H 53 8.666 8.323 0.343 1
1 584 . 8 1 1 A 53 53 THR HA H 53 4.979 5.155 -0.176 1
1 589 . 8 1 1 A 53 53 THR CA C 53 62.026 61.608 0.418 1
1 590 . 8 1 1 A 53 53 THR CB C 53 70.850 69.143 1.707 1
1 592 . 8 1 1 A 53 53 THR N N 53 118.344 118.676 -0.332 1
1 593 . 8 1 1 A 54 54 LEU H H 54 9.662 9.048 0.614 1
1 594 . 8 1 1 A 54 54 LEU HA H 54 4.921 5.083 -0.162 1
1 604 . 8 1 1 A 54 54 LEU CA C 54 53.923 53.919 0.004 1
1 605 . 8 1 1 A 54 54 LEU CB C 54 43.782 44.388 -0.606 1
1 609 . 8 1 1 A 54 54 LEU N N 54 129.166 127.742 1.424 1
1 610 . 8 1 1 A 55 55 HIS H H 55 8.956 9.140 -0.184 1
1 611 . 8 1 1 A 55 55 HIS HA H 55 4.882 5.140 -0.258 1
1 615 . 8 1 1 A 55 55 HIS CA C 55 56.326 54.801 1.525 1
1 616 . 8 1 1 A 55 55 HIS CB C 55 30.431 32.229 -1.798 1
1 618 . 8 1 1 A 55 55 HIS N N 55 126.094 121.606 4.488 1
1 619 . 8 1 1 A 56 56 VAL H H 56 8.151 9.069 -0.918 1
1 620 . 8 1 1 A 56 56 VAL HA H 56 4.856 4.461 0.395 1
1 628 . 8 1 1 A 56 56 VAL CA C 56 58.734 59.889 -1.155 1
1 629 . 8 1 1 A 56 56 VAL CB C 56 34.523 34.151 0.372 1
1 632 . 8 1 1 A 56 56 VAL N N 56 120.242 121.112 -0.870 1
1 633 . 8 1 1 A 57 57 ASN H H 57 8.970 9.004 -0.034 1
1 634 . 8 1 1 A 57 57 ASN HA H 57 4.463 4.383 0.080 1
1 637 . 8 1 1 A 57 57 ASN CA C 57 54.963 55.358 -0.395 1
1 638 . 8 1 1 A 57 57 ASN CB C 57 37.481 37.249 0.232 1
1 639 . 8 1 1 A 57 57 ASN N N 57 124.652 125.931 -1.279 1
1 640 . 8 1 1 A 58 58 GLY H H 58 8.868 8.485 0.383 1
1 641 . 8 1 1 A 58 58 GLY HA2 H 58 3.814 3.970 -0.156 1
1 642 . 8 1 1 A 58 58 GLY HA3 H 58 4.152 3.979 0.173 1
1 643 . 8 1 1 A 58 58 GLY CA C 58 45.606 45.563 0.043 1
1 644 . 8 1 1 A 58 58 GLY N N 58 112.816 109.465 3.351 1
1 645 . 8 1 1 A 59 59 GLY H H 59 7.848 8.287 -0.439 1
1 646 . 8 1 1 A 59 59 GLY HA2 H 59 3.978 4.062 -0.084 1
1 647 . 8 1 1 A 59 59 GLY HA3 H 59 4.153 4.091 0.062 1
1 648 . 8 1 1 A 59 59 GLY CA C 59 45.321 45.076 0.245 1
1 649 . 8 1 1 A 59 59 GLY N N 59 109.857 107.951 1.906 1
1 650 . 8 1 1 A 60 60 GLU H H 60 8.262 8.621 -0.359 1
1 651 . 8 1 1 A 60 60 GLU HA H 60 5.110 5.021 0.089 1
1 656 . 8 1 1 A 60 60 GLU CA C 60 54.756 54.856 -0.100 1
1 657 . 8 1 1 A 60 60 GLU CB C 60 32.933 32.982 -0.049 1
1 659 . 8 1 1 A 60 60 GLU N N 60 121.732 120.636 1.096 1
1 660 . 8 1 1 A 61 61 ILE H H 61 8.764 8.909 -0.145 1
1 661 . 8 1 1 A 61 61 ILE HA H 61 4.286 4.842 -0.556 1
1 671 . 8 1 1 A 61 61 ILE CA C 61 59.713 60.128 -0.415 1
1 672 . 8 1 1 A 61 61 ILE CB C 61 41.194 39.785 1.409 1
1 676 . 8 1 1 A 61 61 ILE N N 61 124.817 124.471 0.346 1
1 677 . 8 1 1 A 62 62 HIS H H 62 8.907 8.882 0.025 1
1 678 . 8 1 1 A 62 62 HIS HA H 62 5.743 5.201 0.542 1
1 682 . 8 1 1 A 62 62 HIS CA C 62 54.009 53.441 0.568 1
1 683 . 8 1 1 A 62 62 HIS CB C 62 32.365 33.102 -0.737 1
1 685 . 8 1 1 A 62 62 HIS N N 62 127.338 126.894 0.444 1
1 686 . 8 1 1 A 63 63 ALA H H 63 8.298 9.061 -0.763 1
1 687 . 8 1 1 A 63 63 ALA HA H 63 4.480 5.255 -0.775 1
1 691 . 8 1 1 A 63 63 ALA CA C 63 51.764 50.129 1.635 1
1 692 . 8 1 1 A 63 63 ALA CB C 63 23.678 23.177 0.501 1
1 693 . 8 1 1 A 63 63 ALA N N 63 125.511 130.351 -4.840 1
1 694 . 8 1 1 A 64 64 SER H H 64 8.070 8.825 -0.755 1
1 695 . 8 1 1 A 64 64 SER HA H 64 5.286 5.762 -0.476 1
1 698 . 8 1 1 A 64 64 SER CA C 64 56.782 57.046 -0.264 1
1 699 . 8 1 1 A 64 64 SER CB C 64 65.895 65.506 0.389 1
1 700 . 8 1 1 A 64 64 SER N N 64 114.469 113.666 0.803 1
1 701 . 8 1 1 A 65 65 ALA H H 65 8.904 9.066 -0.162 1
1 702 . 8 1 1 A 65 65 ALA HA H 65 4.669 5.392 -0.723 1
1 706 . 8 1 1 A 65 65 ALA CA C 65 51.753 49.979 1.774 1
1 707 . 8 1 1 A 65 65 ALA CB C 65 22.599 22.807 -0.208 1
1 708 . 8 1 1 A 65 65 ALA N N 65 126.977 127.202 -0.225 1
1 709 . 8 1 1 A 66 66 GLU H H 66 8.200 9.158 -0.958 1
1 710 . 8 1 1 A 66 66 GLU HA H 66 5.680 5.253 0.427 1
1 715 . 8 1 1 A 66 66 GLU CA C 66 53.650 54.518 -0.868 1
1 716 . 8 1 1 A 66 66 GLU CB C 66 33.741 34.036 -0.295 1
1 718 . 8 1 1 A 66 66 GLU N N 66 119.267 117.751 1.516 1
1 719 . 8 1 1 A 67 67 GLY H H 67 8.836 8.307 0.529 1
1 720 . 8 1 1 A 67 67 GLY HA2 H 67 4.490 4.189 0.301 1
1 721 . 8 1 1 A 67 67 GLY HA3 H 67 3.728 4.194 -0.466 1
1 722 . 8 1 1 A 67 67 GLY CA C 67 45.157 45.956 -0.799 1
1 723 . 8 1 1 A 67 67 GLY N N 67 108.048 107.552 0.496 1
1 724 . 8 1 1 A 68 68 GLN H H 68 8.997 8.639 0.358 1
1 725 . 8 1 1 A 68 68 GLN HA H 68 4.440 4.602 -0.162 1
1 730 . 8 1 1 A 68 68 GLN CA C 68 56.996 56.360 0.636 1
1 731 . 8 1 1 A 68 68 GLN CB C 68 28.694 31.581 -2.887 1
1 733 . 8 1 1 A 68 68 GLN N N 68 119.961 125.286 -5.325 1
1 734 . 8 1 1 A 69 69 ASP H H 69 7.542 7.544 -0.002 1
1 735 . 8 1 1 A 69 69 ASP HA H 69 3.242 3.138 0.104 1
1 738 . 8 1 1 A 69 69 ASP CA C 69 51.838 52.477 -0.639 1
1 739 . 8 1 1 A 69 69 ASP CB C 69 42.829 41.958 0.871 1
1 740 . 8 1 1 A 69 69 ASP N N 69 115.279 115.468 -0.189 1
1 741 . 8 1 1 A 70 70 MET H H 70 8.409 8.697 -0.288 1
1 742 . 8 1 1 A 70 70 MET HA H 70 4.200 4.248 -0.048 1
1 747 . 8 1 1 A 70 70 MET CA C 70 56.505 59.120 -2.615 1
1 748 . 8 1 1 A 70 70 MET CB C 70 31.533 32.289 -0.756 1
1 750 . 8 1 1 A 70 70 MET N N 70 120.495 118.695 1.800 1
1 751 . 8 1 1 A 71 71 TYR H H 71 7.304 8.361 -1.057 1
1 752 . 8 1 1 A 71 71 TYR HA H 71 3.832 4.328 -0.496 1
1 757 . 8 1 1 A 71 71 TYR CA C 71 60.141 60.939 -0.798 1
1 758 . 8 1 1 A 71 71 TYR CB C 71 35.788 37.861 -2.073 1
1 761 . 8 1 1 A 71 71 TYR N N 71 120.024 118.772 1.252 1
1 762 . 8 1 1 A 72 72 ALA H H 72 8.474 8.138 0.336 1
1 763 . 8 1 1 A 72 72 ALA HA H 72 4.213 3.958 0.255 1
1 767 . 8 1 1 A 72 72 ALA CA C 72 54.526 55.246 -0.720 1
1 768 . 8 1 1 A 72 72 ALA CB C 72 18.884 18.171 0.713 1
1 769 . 8 1 1 A 72 72 ALA N N 72 123.384 121.839 1.545 1
1 770 . 8 1 1 A 73 73 ALA H H 73 7.595 8.351 -0.756 1
1 771 . 8 1 1 A 73 73 ALA HA H 73 3.731 4.161 -0.430 1
1 775 . 8 1 1 A 73 73 ALA CA C 73 55.647 54.630 1.017 1
1 776 . 8 1 1 A 73 73 ALA CB C 73 17.460 18.622 -1.162 1
1 777 . 8 1 1 A 73 73 ALA N N 73 123.415 119.946 3.469 1
1 778 . 8 1 1 A 74 74 ILE H H 74 7.958 7.587 0.371 1
1 779 . 8 1 1 A 74 74 ILE HA H 74 3.692 3.648 0.044 1
1 789 . 8 1 1 A 74 74 ILE CA C 74 63.902 65.123 -1.221 1
1 790 . 8 1 1 A 74 74 ILE CB C 74 37.010 38.019 -1.009 1
1 794 . 8 1 1 A 74 74 ILE N N 74 119.834 119.585 0.249 1
1 795 . 8 1 1 A 75 75 ASP H H 75 8.468 8.042 0.426 1
1 796 . 8 1 1 A 75 75 ASP HA H 75 4.282 4.251 0.031 1
1 799 . 8 1 1 A 75 75 ASP CA C 75 58.107 57.420 0.687 1
1 800 . 8 1 1 A 75 75 ASP CB C 75 40.628 41.261 -0.633 1
1 801 . 8 1 1 A 75 75 ASP N N 75 122.091 120.726 1.365 1
1 802 . 8 1 1 A 76 76 GLY H H 76 8.041 8.094 -0.053 1
1 803 . 8 1 1 A 76 76 GLY HA2 H 76 3.845 3.804 0.041 1
1 804 . 8 1 1 A 76 76 GLY HA3 H 76 3.863 3.812 0.051 1
1 805 . 8 1 1 A 76 76 GLY CA C 76 46.668 47.355 -0.687 1
1 806 . 8 1 1 A 76 76 GLY N N 76 108.081 107.651 0.430 1
1 807 . 8 1 1 A 77 77 LEU H H 77 8.088 7.870 0.218 1
1 808 . 8 1 1 A 77 77 LEU HA H 77 3.709 4.125 -0.416 1
1 818 . 8 1 1 A 77 77 LEU CA C 77 57.865 57.316 0.549 1
1 819 . 8 1 1 A 77 77 LEU CB C 77 41.828 41.411 0.417 1
1 823 . 8 1 1 A 77 77 LEU N N 77 126.711 122.223 4.488 1
1 824 . 8 1 1 A 78 78 ILE H H 78 8.155 8.398 -0.243 1
1 825 . 8 1 1 A 78 78 ILE HA H 78 3.316 3.650 -0.334 1
1 835 . 8 1 1 A 78 78 ILE CA C 78 62.813 63.964 -1.151 1
1 836 . 8 1 1 A 78 78 ILE CB C 78 34.810 37.157 -2.347 1
1 840 . 8 1 1 A 78 78 ILE N N 78 120.409 119.430 0.979 1
1 841 . 8 1 1 A 79 79 ASP H H 79 7.408 7.966 -0.558 1
1 842 . 8 1 1 A 79 79 ASP HA H 79 4.274 4.320 -0.046 1
1 845 . 8 1 1 A 79 79 ASP CA C 79 57.605 57.311 0.294 1
1 846 . 8 1 1 A 79 79 ASP CB C 79 41.017 41.058 -0.041 1
1 847 . 8 1 1 A 79 79 ASP N N 79 120.497 121.942 -1.445 1
1 848 . 8 1 1 A 80 80 LYS H H 80 7.536 7.661 -0.125 1
1 849 . 8 1 1 A 80 80 LYS HA H 80 3.931 4.029 -0.098 1
1 858 . 8 1 1 A 80 80 LYS CA C 80 59.952 59.744 0.208 1
1 859 . 8 1 1 A 80 80 LYS CB C 80 33.221 32.388 0.833 1
1 863 . 8 1 1 A 80 80 LYS N N 80 119.684 117.828 1.856 1
1 864 . 8 1 1 A 81 81 LEU H H 81 8.473 8.146 0.327 1
1 865 . 8 1 1 A 81 81 LEU HA H 81 3.765 3.905 -0.140 1
1 875 . 8 1 1 A 81 81 LEU CA C 81 57.564 57.808 -0.244 1
1 876 . 8 1 1 A 81 81 LEU CB C 81 42.473 41.543 0.930 1
1 880 . 8 1 1 A 81 81 LEU N N 81 121.519 119.858 1.661 1
1 881 . 8 1 1 A 82 82 ALA H H 82 8.682 8.162 0.520 1
1 882 . 8 1 1 A 82 82 ALA HA H 82 3.479 4.349 -0.870 1
1 886 . 8 1 1 A 82 82 ALA CA C 82 55.731 55.613 0.118 1
1 887 . 8 1 1 A 82 82 ALA CB C 82 17.388 18.597 -1.209 1
1 888 . 8 1 1 A 82 82 ALA N N 82 123.814 121.264 2.550 1
1 889 . 8 1 1 A 83 83 ARG H H 83 7.329 7.856 -0.527 1
1 890 . 8 1 1 A 83 83 ARG HA H 83 3.981 4.079 -0.098 1
1 897 . 8 1 1 A 83 83 ARG CA C 83 59.137 59.633 -0.496 1
1 898 . 8 1 1 A 83 83 ARG CB C 83 29.971 30.043 -0.072 1
1 901 . 8 1 1 A 83 83 ARG N N 83 118.219 117.578 0.641 1
1 902 . 8 1 1 A 84 84 GLN H H 84 7.750 7.553 0.197 1
1 903 . 8 1 1 A 84 84 GLN HA H 84 4.047 4.067 -0.020 1
1 906 . 8 1 1 A 84 84 GLN CA C 84 58.685 58.349 0.336 1
1 907 . 8 1 1 A 84 84 GLN CB C 84 29.903 28.297 1.606 1
1 909 . 8 1 1 A 84 84 GLN N N 84 119.887 119.259 0.628 1
1 910 . 8 1 1 A 85 85 LEU H H 85 8.610 8.098 0.512 1
1 911 . 8 1 1 A 85 85 LEU HA H 85 3.788 3.501 0.287 1
1 920 . 8 1 1 A 85 85 LEU CA C 85 57.600 57.279 0.321 1
1 921 . 8 1 1 A 85 85 LEU CB C 85 41.178 40.606 0.572 1
1 925 . 8 1 1 A 85 85 LEU N N 85 122.951 119.770 3.181 1
1 926 . 8 1 1 A 86 86 THR H H 86 7.709 7.780 -0.071 1
1 927 . 8 1 1 A 86 86 THR HA H 86 4.056 3.983 0.073 1
1 932 . 8 1 1 A 86 86 THR CA C 86 65.924 66.970 -1.046 1
1 933 . 8 1 1 A 86 86 THR CB C 86 68.870 67.983 0.887 1
1 935 . 8 1 1 A 86 86 THR N N 86 116.282 115.833 0.449 1
1 936 . 8 1 1 A 87 87 LYS H H 87 7.457 7.898 -0.441 1
1 937 . 8 1 1 A 87 87 LYS HA H 87 4.102 4.037 0.065 1
1 946 . 8 1 1 A 87 87 LYS CA C 87 58.289 59.505 -1.216 1
1 947 . 8 1 1 A 87 87 LYS CB C 87 32.293 32.648 -0.355 1
1 951 . 8 1 1 A 87 87 LYS N N 87 122.670 121.263 1.407 1
1 952 . 8 1 1 A 88 88 HIS H H 88 7.928 7.978 -0.050 1
1 953 . 8 1 1 A 88 88 HIS HA H 88 4.301 4.342 -0.041 1
1 957 . 8 1 1 A 88 88 HIS CA C 88 58.361 58.674 -0.313 1
1 958 . 8 1 1 A 88 88 HIS CB C 88 30.766 28.473 2.293 1
1 960 . 8 1 1 A 88 88 HIS N N 88 121.382 117.250 4.132 1
1 961 . 8 1 1 A 89 89 LYS H H 89 7.928 7.958 -0.030 1
1 962 . 8 1 1 A 89 89 LYS HA H 89 3.934 4.087 -0.153 1
1 971 . 8 1 1 A 89 89 LYS CA C 89 58.568 58.903 -0.335 1
1 972 . 8 1 1 A 89 89 LYS CB C 89 32.489 31.726 0.763 1
1 976 . 8 1 1 A 89 89 LYS N N 89 121.821 121.116 0.705 1
1 977 . 8 1 1 A 90 90 ASP H H 90 8.143 7.870 0.273 1
1 978 . 8 1 1 A 90 90 ASP HA H 90 4.445 4.418 0.027 1
1 981 . 8 1 1 A 90 90 ASP CA C 90 55.869 57.270 -1.401 1
1 982 . 8 1 1 A 90 90 ASP CB C 90 40.715 40.503 0.212 1
1 983 . 8 1 1 A 90 90 ASP N N 90 121.199 118.722 2.477 1
1 984 . 8 1 1 A 91 91 LYS H H 91 7.867 8.209 -0.342 1
1 985 . 8 1 1 A 91 91 LYS HA H 91 4.130 4.140 -0.010 1
1 994 . 8 1 1 A 91 91 LYS CA C 91 57.421 59.044 -1.623 1
1 995 . 8 1 1 A 91 91 LYS CB C 91 32.365 31.852 0.513 1
1 999 . 8 1 1 A 91 91 LYS N N 91 121.976 117.564 4.412 1
1 1000 . 8 1 1 A 92 92 LEU H H 92 7.709 7.784 -0.075 1
1 1001 . 8 1 1 A 92 92 LEU HA H 92 4.171 4.500 -0.329 1
1 1011 . 8 1 1 A 92 92 LEU CA C 92 55.449 54.559 0.890 1
1 1012 . 8 1 1 A 92 92 LEU CB C 92 41.871 39.324 2.547 1
1 1016 . 8 1 1 A 92 92 LEU N N 92 121.802 118.739 3.063 1
1 1017 . 8 1 1 A 93 93 LYS H H 93 7.751 7.713 0.038 1
1 1018 . 8 1 1 A 93 93 LYS HA H 93 4.197 4.946 -0.749 1
1 1027 . 8 1 1 A 93 93 LYS CA C 93 56.420 55.497 0.923 1
1 1028 . 8 1 1 A 93 93 LYS CB C 93 32.792 35.614 -2.822 1
1 1032 . 8 1 1 A 93 93 LYS N N 93 121.954 123.693 -1.739 1
1 1033 . 8 1 1 A 94 94 GLN H H 94 8.129 8.833 -0.704 1
1 1034 . 8 1 1 A 94 94 GLN HA H 94 4.208 4.783 -0.575 1
1 1039 . 8 1 1 A 94 94 GLN CA C 94 55.891 55.098 0.793 1
1 1040 . 8 1 1 A 94 94 GLN CB C 94 29.236 29.122 0.114 1
1 1042 . 8 1 1 A 94 94 GLN N N 94 123.165 124.527 -1.362 1
1 1 . 9 1 1 A 2 2 GLN H H 2 7.809 7.930 -0.121 1
1 2 . 9 1 1 A 2 2 GLN HA H 2 4.394 4.335 0.059 1
1 7 . 9 1 1 A 2 2 GLN CA C 2 55.124 54.800 0.324 1
1 8 . 9 1 1 A 2 2 GLN CB C 2 30.385 27.281 3.104 1
1 10 . 9 1 1 A 2 2 GLN N N 2 126.586 119.639 6.947 1
1 11 . 9 1 1 A 3 3 LEU H H 3 8.598 7.585 1.013 1
1 12 . 9 1 1 A 3 3 LEU HA H 3 4.380 5.202 -0.822 1
1 22 . 9 1 1 A 3 3 LEU CA C 3 54.590 53.272 1.318 1
1 23 . 9 1 1 A 3 3 LEU CB C 3 43.701 42.907 0.794 1
1 27 . 9 1 1 A 3 3 LEU N N 3 128.942 119.120 9.822 1
1 28 . 9 1 1 A 4 4 ASN H H 4 8.227 9.044 -0.817 1
1 29 . 9 1 1 A 4 4 ASN HA H 4 4.864 5.494 -0.630 1
1 32 . 9 1 1 A 4 4 ASN CA C 4 52.628 51.496 1.132 1
1 33 . 9 1 1 A 4 4 ASN CB C 4 41.258 42.535 -1.277 1
1 34 . 9 1 1 A 4 4 ASN N N 4 127.137 118.747 8.390 1
1 35 . 9 1 1 A 5 5 ILE H H 5 8.659 8.791 -0.132 1
1 36 . 9 1 1 A 5 5 ILE HA H 5 4.901 5.476 -0.575 1
1 46 . 9 1 1 A 5 5 ILE CA C 5 60.288 59.099 1.189 1
1 47 . 9 1 1 A 5 5 ILE CB C 5 40.902 41.618 -0.716 1
1 51 . 9 1 1 A 5 5 ILE N N 5 126.355 117.983 8.372 1
1 52 . 9 1 1 A 6 6 THR H H 6 8.796 8.735 0.061 1
1 53 . 9 1 1 A 6 6 THR HA H 6 4.654 4.875 -0.221 1
1 58 . 9 1 1 A 6 6 THR CA C 6 60.751 60.605 0.146 1
1 59 . 9 1 1 A 6 6 THR CB C 6 71.993 71.780 0.213 1
1 61 . 9 1 1 A 6 6 THR N N 6 123.546 117.780 5.766 1
1 62 . 9 1 1 A 7 7 GLY H H 7 8.833 9.206 -0.373 1
1 63 . 9 1 1 A 7 7 GLY HA2 H 7 3.764 4.184 -0.420 1
1 64 . 9 1 1 A 7 7 GLY HA3 H 7 5.071 4.189 0.882 1
1 65 . 9 1 1 A 7 7 GLY CA C 7 44.318 44.788 -0.470 1
1 66 . 9 1 1 A 7 7 GLY N N 7 112.240 115.201 -2.961 1
1 67 . 9 1 1 A 8 8 ASN H H 8 8.962 8.245 0.717 1
1 68 . 9 1 1 A 8 8 ASN HA H 8 4.828 5.374 -0.546 1
1 71 . 9 1 1 A 8 8 ASN CA C 8 52.799 52.098 0.701 1
1 72 . 9 1 1 A 8 8 ASN CB C 8 39.244 39.621 -0.377 1
1 73 . 9 1 1 A 8 8 ASN N N 8 124.384 119.895 4.489 1
1 74 . 9 1 1 A 9 9 ASN H H 9 8.756 9.089 -0.333 1
1 75 . 9 1 1 A 9 9 ASN HA H 9 4.248 4.282 -0.034 1
1 78 . 9 1 1 A 9 9 ASN CA C 9 53.998 54.176 -0.178 1
1 79 . 9 1 1 A 9 9 ASN CB C 9 37.231 37.641 -0.410 1
1 80 . 9 1 1 A 9 9 ASN N N 9 120.082 118.255 1.827 1
1 81 . 9 1 1 A 10 10 VAL H H 10 6.825 7.744 -0.919 1
1 82 . 9 1 1 A 10 10 VAL HA H 10 4.097 4.561 -0.464 1
1 90 . 9 1 1 A 10 10 VAL CA C 10 60.425 60.197 0.228 1
1 91 . 9 1 1 A 10 10 VAL CB C 10 34.765 35.333 -0.568 1
1 94 . 9 1 1 A 10 10 VAL N N 10 115.342 117.660 -2.318 1
1 95 . 9 1 1 A 11 11 GLU H H 11 8.347 8.420 -0.073 1
1 96 . 9 1 1 A 11 11 GLU HA H 11 4.174 4.391 -0.217 1
1 101 . 9 1 1 A 11 11 GLU CA C 11 55.442 56.589 -1.147 1
1 102 . 9 1 1 A 11 11 GLU CB C 11 30.114 29.472 0.642 1
1 104 . 9 1 1 A 11 11 GLU N N 11 129.115 125.561 3.554 1
1 105 . 9 1 1 A 12 12 ILE H H 12 8.942 8.877 0.065 1
1 106 . 9 1 1 A 12 12 ILE HA H 12 4.034 4.457 -0.423 1
1 116 . 9 1 1 A 12 12 ILE CA C 12 58.894 61.206 -2.312 1
1 117 . 9 1 1 A 12 12 ILE CB C 12 33.240 36.657 -3.417 1
1 121 . 9 1 1 A 12 12 ILE N N 12 128.622 126.678 1.944 1
1 122 . 9 1 1 A 13 13 THR H H 13 6.818 7.919 -1.101 1
1 123 . 9 1 1 A 13 13 THR HA H 13 4.429 4.925 -0.496 1
1 128 . 9 1 1 A 13 13 THR CA C 13 60.052 59.972 0.080 1
1 129 . 9 1 1 A 13 13 THR CB C 13 70.842 70.906 -0.064 1
1 131 . 9 1 1 A 13 13 THR N N 13 119.687 120.053 -0.366 1
1 132 . 9 1 1 A 14 14 GLU H H 14 8.969 9.012 -0.043 1
1 133 . 9 1 1 A 14 14 GLU HA H 14 4.024 4.053 -0.029 1
1 138 . 9 1 1 A 14 14 GLU CA C 14 59.794 59.223 0.571 1
1 139 . 9 1 1 A 14 14 GLU CB C 14 28.845 28.999 -0.154 1
1 141 . 9 1 1 A 14 14 GLU N N 14 123.290 122.583 0.707 1
1 142 . 9 1 1 A 15 15 ALA H H 15 8.334 7.782 0.552 1
1 143 . 9 1 1 A 15 15 ALA HA H 15 4.151 4.160 -0.009 1
1 147 . 9 1 1 A 15 15 ALA CA C 15 55.076 55.250 -0.174 1
1 148 . 9 1 1 A 15 15 ALA CB C 15 18.008 18.412 -0.404 1
1 149 . 9 1 1 A 15 15 ALA N N 15 121.958 122.390 -0.432 1
1 150 . 9 1 1 A 16 16 LEU H H 16 7.765 8.147 -0.382 1
1 151 . 9 1 1 A 16 16 LEU HA H 16 4.240 4.125 0.115 1
1 161 . 9 1 1 A 16 16 LEU CA C 16 57.674 58.733 -1.059 1
1 162 . 9 1 1 A 16 16 LEU CB C 16 42.122 41.964 0.158 1
1 166 . 9 1 1 A 16 16 LEU N N 16 123.064 119.936 3.128 1
1 167 . 9 1 1 A 17 17 ARG H H 17 8.627 7.947 0.680 1
1 168 . 9 1 1 A 17 17 ARG HA H 17 3.595 4.142 -0.547 1
1 175 . 9 1 1 A 17 17 ARG CA C 17 60.573 58.989 1.584 1
1 176 . 9 1 1 A 17 17 ARG CB C 17 29.679 30.100 -0.421 1
1 179 . 9 1 1 A 17 17 ARG N N 17 121.878 117.960 3.918 1
1 180 . 9 1 1 A 18 18 GLU H H 18 8.665 8.027 0.638 1
1 181 . 9 1 1 A 18 18 GLU HA H 18 3.952 4.115 -0.163 1
1 186 . 9 1 1 A 18 18 GLU CA C 18 59.654 59.439 0.215 1
1 187 . 9 1 1 A 18 18 GLU CB C 18 29.301 29.574 -0.273 1
1 189 . 9 1 1 A 18 18 GLU N N 18 123.257 119.532 3.725 1
1 190 . 9 1 1 A 19 19 PHE H H 19 8.026 8.317 -0.291 1
1 191 . 9 1 1 A 19 19 PHE HA H 19 4.258 4.157 0.101 1
1 195 . 9 1 1 A 19 19 PHE CA C 19 61.640 61.358 0.282 1
1 196 . 9 1 1 A 19 19 PHE CB C 19 39.547 39.461 0.086 1
1 198 . 9 1 1 A 19 19 PHE N N 19 123.888 122.009 1.879 1
1 199 . 9 1 1 A 20 20 VAL H H 20 8.734 8.117 0.617 1
1 200 . 9 1 1 A 20 20 VAL HA H 20 3.336 3.594 -0.258 1
1 208 . 9 1 1 A 20 20 VAL CA C 20 67.245 66.497 0.748 1
1 209 . 9 1 1 A 20 20 VAL CB C 20 31.965 31.870 0.095 1
1 212 . 9 1 1 A 20 20 VAL N N 20 119.762 118.754 1.008 1
1 213 . 9 1 1 A 21 21 THR H H 21 8.213 8.273 -0.060 1
1 214 . 9 1 1 A 21 21 THR HA H 21 3.615 4.006 -0.391 1
1 218 . 9 1 1 A 21 21 THR CA C 21 67.657 66.284 1.373 1
1 219 . 9 1 1 A 21 21 THR CB C 21 68.697 68.320 0.377 1
1 221 . 9 1 1 A 21 21 THR N N 21 117.446 115.160 2.286 1
1 222 . 9 1 1 A 22 22 ALA H H 22 8.050 8.715 -0.665 1
1 223 . 9 1 1 A 22 22 ALA HA H 22 4.084 3.995 0.089 1
1 227 . 9 1 1 A 22 22 ALA CA C 22 54.998 55.572 -0.574 1
1 228 . 9 1 1 A 22 22 ALA CB C 22 17.880 18.848 -0.968 1
1 229 . 9 1 1 A 22 22 ALA N N 22 125.291 123.302 1.989 1
1 230 . 9 1 1 A 23 23 LYS H H 23 7.868 7.662 0.206 1
1 231 . 9 1 1 A 23 23 LYS HA H 23 3.886 3.889 -0.003 1
1 240 . 9 1 1 A 23 23 LYS CA C 23 57.286 59.072 -1.786 1
1 241 . 9 1 1 A 23 23 LYS CB C 23 30.651 32.189 -1.538 1
1 245 . 9 1 1 A 23 23 LYS N N 23 119.332 117.411 1.921 1
1 246 . 9 1 1 A 24 24 PHE H H 24 8.369 8.169 0.200 1
1 247 . 9 1 1 A 24 24 PHE HA H 24 3.805 4.404 -0.599 1
1 252 . 9 1 1 A 24 24 PHE CA C 24 62.055 60.063 1.992 1
1 253 . 9 1 1 A 24 24 PHE CB C 24 38.744 38.440 0.304 1
1 256 . 9 1 1 A 24 24 PHE N N 24 119.142 118.458 0.684 1
1 257 . 9 1 1 A 25 25 ALA H H 25 7.879 8.426 -0.547 1
1 258 . 9 1 1 A 25 25 ALA HA H 25 4.140 4.470 -0.330 1
1 262 . 9 1 1 A 25 25 ALA CA C 25 55.014 55.280 -0.266 1
1 263 . 9 1 1 A 25 25 ALA CB C 25 17.773 18.250 -0.477 1
1 264 . 9 1 1 A 25 25 ALA N N 25 123.500 121.796 1.704 1
1 265 . 9 1 1 A 26 26 LYS H H 26 7.217 7.662 -0.445 1
1 266 . 9 1 1 A 26 26 LYS HA H 26 4.024 3.845 0.179 1
1 275 . 9 1 1 A 26 26 LYS CA C 26 58.189 59.084 -0.895 1
1 276 . 9 1 1 A 26 26 LYS CB C 26 32.033 32.080 -0.047 1
1 280 . 9 1 1 A 26 26 LYS N N 26 118.541 118.512 0.029 1
1 281 . 9 1 1 A 27 27 LEU H H 27 7.773 7.631 0.142 1
1 282 . 9 1 1 A 27 27 LEU HA H 27 4.257 3.373 0.884 1
1 292 . 9 1 1 A 27 27 LEU CA C 27 55.889 56.151 -0.262 1
1 293 . 9 1 1 A 27 27 LEU CB C 27 41.083 41.733 -0.650 1
1 297 . 9 1 1 A 27 27 LEU N N 27 118.340 119.043 -0.703 1
1 298 . 9 1 1 A 28 28 GLU H H 28 7.296 8.321 -1.025 1
1 299 . 9 1 1 A 28 28 GLU HA H 28 3.489 4.353 -0.864 1
1 304 . 9 1 1 A 28 28 GLU CA C 28 58.336 58.837 -0.501 1
1 305 . 9 1 1 A 28 28 GLU CB C 28 29.265 29.338 -0.073 1
1 307 . 9 1 1 A 28 28 GLU N N 28 119.557 119.409 0.148 1
1 308 . 9 1 1 A 29 29 GLN H H 29 7.783 7.619 0.164 1
1 309 . 9 1 1 A 29 29 GLN HA H 29 3.923 3.955 -0.032 1
1 314 . 9 1 1 A 29 29 GLN CA C 29 57.387 58.313 -0.926 1
1 315 . 9 1 1 A 29 29 GLN CB C 29 28.082 28.577 -0.495 1
1 317 . 9 1 1 A 29 29 GLN N N 29 117.927 119.612 -1.685 1
1 318 . 9 1 1 A 30 30 TYR H H 30 7.731 6.968 0.763 1
1 319 . 9 1 1 A 30 30 TYR HA H 30 4.433 4.423 0.010 1
1 324 . 9 1 1 A 30 30 TYR CA C 30 58.371 57.821 0.550 1
1 325 . 9 1 1 A 30 30 TYR CB C 30 39.297 38.274 1.023 1
1 328 . 9 1 1 A 30 30 TYR N N 30 118.639 118.776 -0.137 1
1 329 . 9 1 1 A 31 31 PHE H H 31 7.652 7.388 0.264 1
1 330 . 9 1 1 A 31 31 PHE HA H 31 4.605 5.000 -0.395 1
1 334 . 9 1 1 A 31 31 PHE CA C 31 58.507 57.389 1.118 1
1 335 . 9 1 1 A 31 31 PHE CB C 31 40.438 40.434 0.004 1
1 337 . 9 1 1 A 31 31 PHE N N 31 119.753 120.184 -0.431 1
1 338 . 9 1 1 A 32 32 ASP H H 32 8.087 8.741 -0.654 1
1 339 . 9 1 1 A 32 32 ASP HA H 32 4.465 4.803 -0.338 1
1 342 . 9 1 1 A 32 32 ASP CA C 32 55.094 54.230 0.864 1
1 343 . 9 1 1 A 32 32 ASP CB C 32 40.511 42.296 -1.785 1
1 344 . 9 1 1 A 32 32 ASP N N 32 121.865 122.137 -0.272 1
1 345 . 9 1 1 A 33 33 ARG H H 33 7.083 7.882 -0.799 1
1 346 . 9 1 1 A 33 33 ARG HA H 33 4.412 4.523 -0.111 1
1 353 . 9 1 1 A 33 33 ARG CA C 33 55.082 55.623 -0.541 1
1 354 . 9 1 1 A 33 33 ARG CB C 33 30.409 28.638 1.771 1
1 357 . 9 1 1 A 33 33 ARG N N 33 119.603 117.809 1.794 1
1 358 . 9 1 1 A 34 34 ILE H H 34 8.139 8.162 -0.023 1
1 359 . 9 1 1 A 34 34 ILE HA H 34 4.051 4.829 -0.778 1
1 369 . 9 1 1 A 34 34 ILE CA C 34 61.543 60.601 0.942 1
1 370 . 9 1 1 A 34 34 ILE CB C 34 39.510 41.333 -1.823 1
1 374 . 9 1 1 A 34 34 ILE N N 34 123.576 123.781 -0.205 1
1 375 . 9 1 1 A 35 35 ASN H H 35 8.560 8.770 -0.210 1
1 376 . 9 1 1 A 35 35 ASN HA H 35 4.870 4.959 -0.089 1
1 379 . 9 1 1 A 35 35 ASN CA C 35 53.877 53.952 -0.075 1
1 380 . 9 1 1 A 35 35 ASN CB C 35 38.806 39.718 -0.912 1
1 381 . 9 1 1 A 35 35 ASN N N 35 126.934 120.154 6.780 1
1 382 . 9 1 1 A 36 36 GLN H H 36 7.843 7.851 -0.008 1
1 383 . 9 1 1 A 36 36 GLN HA H 36 4.519 4.967 -0.448 1
1 388 . 9 1 1 A 36 36 GLN CA C 36 56.345 54.297 2.048 1
1 389 . 9 1 1 A 36 36 GLN CB C 36 31.240 31.259 -0.019 1
1 391 . 9 1 1 A 36 36 GLN N N 36 120.673 118.026 2.647 1
1 392 . 9 1 1 A 37 37 VAL H H 37 8.330 8.705 -0.375 1
1 393 . 9 1 1 A 37 37 VAL HA H 37 4.693 4.952 -0.259 1
1 401 . 9 1 1 A 37 37 VAL CA C 37 60.789 60.129 0.660 1
1 402 . 9 1 1 A 37 37 VAL CB C 37 34.740 34.327 0.413 1
1 405 . 9 1 1 A 37 37 VAL N N 37 123.403 121.559 1.844 1
1 406 . 9 1 1 A 38 38 TYR H H 38 8.943 7.978 0.965 1
1 407 . 9 1 1 A 38 38 TYR HA H 38 5.039 6.137 -1.098 1
1 412 . 9 1 1 A 38 38 TYR CA C 38 57.028 55.261 1.767 1
1 413 . 9 1 1 A 38 38 TYR CB C 38 39.705 42.317 -2.612 1
1 416 . 9 1 1 A 38 38 TYR N N 38 129.202 120.412 8.790 1
1 417 . 9 1 1 A 39 39 VAL H H 39 9.053 8.793 0.260 1
1 418 . 9 1 1 A 39 39 VAL HA H 39 5.048 5.177 -0.129 1
1 426 . 9 1 1 A 39 39 VAL CA C 39 60.685 60.535 0.150 1
1 427 . 9 1 1 A 39 39 VAL CB C 39 34.107 35.683 -1.576 1
1 430 . 9 1 1 A 39 39 VAL N N 39 127.771 121.976 5.795 1
1 431 . 9 1 1 A 40 40 VAL H H 40 9.276 8.625 0.651 1
1 432 . 9 1 1 A 40 40 VAL HA H 40 4.862 4.811 0.051 1
1 440 . 9 1 1 A 40 40 VAL CA C 40 60.896 60.802 0.094 1
1 441 . 9 1 1 A 40 40 VAL CB C 40 34.411 36.080 -1.669 1
1 444 . 9 1 1 A 40 40 VAL N N 40 130.939 126.247 4.692 1
1 445 . 9 1 1 A 41 41 LEU H H 41 8.714 8.779 -0.065 1
1 446 . 9 1 1 A 41 41 LEU HA H 41 5.111 5.620 -0.509 1
1 456 . 9 1 1 A 41 41 LEU CA C 41 53.150 52.868 0.282 1
1 457 . 9 1 1 A 41 41 LEU CB C 41 42.538 45.314 -2.776 1
1 461 . 9 1 1 A 41 41 LEU N N 41 130.200 124.739 5.461 1
1 462 . 9 1 1 A 42 42 LYS H H 42 8.955 9.798 -0.843 1
1 463 . 9 1 1 A 42 42 LYS HA H 42 5.180 5.623 -0.443 1
1 472 . 9 1 1 A 42 42 LYS CA C 42 55.017 54.777 0.240 1
1 473 . 9 1 1 A 42 42 LYS CB C 42 36.649 34.511 2.138 1
1 477 . 9 1 1 A 42 42 LYS N N 42 124.155 123.047 1.108 1
1 478 . 9 1 1 A 43 43 VAL H H 43 7.515 8.159 -0.644 1
1 479 . 9 1 1 A 43 43 VAL HA H 43 4.360 4.526 -0.166 1
1 487 . 9 1 1 A 43 43 VAL CA C 43 61.230 61.202 0.028 1
1 488 . 9 1 1 A 43 43 VAL CB C 43 33.656 33.045 0.611 1
1 491 . 9 1 1 A 43 43 VAL N N 43 124.332 125.502 -1.170 1
1 492 . 9 1 1 A 44 44 GLU H H 44 8.092 8.278 -0.186 1
1 493 . 9 1 1 A 44 44 GLU HA H 44 4.368 4.768 -0.400 1
1 498 . 9 1 1 A 44 44 GLU CA C 44 55.445 54.338 1.107 1
1 499 . 9 1 1 A 44 44 GLU CB C 44 31.404 33.349 -1.945 1
1 501 . 9 1 1 A 44 44 GLU N N 44 130.594 125.215 5.379 1
1 502 . 9 1 1 A 45 45 LYS H H 45 8.982 8.707 0.275 1
1 503 . 9 1 1 A 45 45 LYS HA H 45 3.695 3.925 -0.230 1
1 512 . 9 1 1 A 45 45 LYS CA C 45 59.588 58.900 0.688 1
1 513 . 9 1 1 A 45 45 LYS CB C 45 30.077 32.064 -1.987 1
1 517 . 9 1 1 A 45 45 LYS N N 45 125.587 120.964 4.623 1
1 518 . 9 1 1 A 46 46 VAL H H 46 7.710 7.411 0.299 1
1 519 . 9 1 1 A 46 46 VAL HA H 46 4.346 3.991 0.355 1
1 527 . 9 1 1 A 46 46 VAL CA C 46 61.342 64.658 -3.316 1
1 528 . 9 1 1 A 46 46 VAL CB C 46 31.917 31.931 -0.014 1
1 531 . 9 1 1 A 46 46 VAL N N 46 115.763 118.243 -2.480 1
1 532 . 9 1 1 A 47 47 THR H H 47 8.151 7.739 0.412 1
1 533 . 9 1 1 A 47 47 THR HA H 47 4.397 5.302 -0.905 1
1 538 . 9 1 1 A 47 47 THR CA C 47 63.072 61.092 1.980 1
1 539 . 9 1 1 A 47 47 THR CB C 47 69.615 72.295 -2.680 1
1 541 . 9 1 1 A 47 47 THR N N 47 120.888 111.705 9.183 1
1 542 . 9 1 1 A 48 48 HIS H H 48 8.753 9.157 -0.404 1
1 543 . 9 1 1 A 48 48 HIS HA H 48 4.826 5.410 -0.584 1
1 547 . 9 1 1 A 48 48 HIS CA C 48 55.978 54.886 1.092 1
1 548 . 9 1 1 A 48 48 HIS CB C 48 30.476 31.547 -1.071 1
1 550 . 9 1 1 A 48 48 HIS N N 48 130.755 123.272 7.483 1
1 551 . 9 1 1 A 49 49 THR H H 49 9.136 8.535 0.601 1
1 552 . 9 1 1 A 49 49 THR HA H 49 5.245 5.157 0.088 1
1 557 . 9 1 1 A 49 49 THR CA C 49 60.941 61.139 -0.198 1
1 558 . 9 1 1 A 49 49 THR CB C 49 71.411 72.179 -0.768 1
1 560 . 9 1 1 A 49 49 THR N N 49 118.522 117.451 1.071 1
1 561 . 9 1 1 A 50 50 SER H H 50 9.050 8.561 0.489 1
1 562 . 9 1 1 A 50 50 SER HA H 50 5.348 5.769 -0.421 1
1 565 . 9 1 1 A 50 50 SER CA C 50 55.645 57.295 -1.650 1
1 566 . 9 1 1 A 50 50 SER CB C 50 66.579 66.225 0.354 1
1 567 . 9 1 1 A 50 50 SER N N 50 119.749 119.704 0.045 1
1 568 . 9 1 1 A 51 51 ASP H H 51 8.843 9.684 -0.841 1
1 569 . 9 1 1 A 51 51 ASP HA H 51 5.363 5.981 -0.618 1
1 572 . 9 1 1 A 51 51 ASP CA C 51 52.879 52.310 0.569 1
1 573 . 9 1 1 A 51 51 ASP CB C 51 45.173 44.424 0.749 1
1 574 . 9 1 1 A 51 51 ASP N N 51 126.330 121.452 4.878 1
1 575 . 9 1 1 A 52 52 ALA H H 52 8.938 9.608 -0.670 1
1 576 . 9 1 1 A 52 52 ALA HA H 52 5.777 5.327 0.450 1
1 580 . 9 1 1 A 52 52 ALA CA C 52 50.806 50.826 -0.020 1
1 581 . 9 1 1 A 52 52 ALA CB C 52 24.676 22.757 1.919 1
1 582 . 9 1 1 A 52 52 ALA N N 52 122.789 122.186 0.603 1
1 583 . 9 1 1 A 53 53 THR H H 53 8.666 8.296 0.370 1
1 584 . 9 1 1 A 53 53 THR HA H 53 4.979 4.867 0.112 1
1 589 . 9 1 1 A 53 53 THR CA C 53 62.026 61.350 0.676 1
1 590 . 9 1 1 A 53 53 THR CB C 53 70.850 70.404 0.446 1
1 592 . 9 1 1 A 53 53 THR N N 53 118.344 115.961 2.383 1
1 593 . 9 1 1 A 54 54 LEU H H 54 9.662 8.869 0.793 1
1 594 . 9 1 1 A 54 54 LEU HA H 54 4.921 5.035 -0.114 1
1 604 . 9 1 1 A 54 54 LEU CA C 54 53.923 53.889 0.034 1
1 605 . 9 1 1 A 54 54 LEU CB C 54 43.782 44.170 -0.388 1
1 609 . 9 1 1 A 54 54 LEU N N 54 129.166 127.520 1.646 1
1 610 . 9 1 1 A 55 55 HIS H H 55 8.956 9.131 -0.175 1
1 611 . 9 1 1 A 55 55 HIS HA H 55 4.882 5.159 -0.277 1
1 615 . 9 1 1 A 55 55 HIS CA C 55 56.326 54.853 1.473 1
1 616 . 9 1 1 A 55 55 HIS CB C 55 30.431 32.043 -1.612 1
1 618 . 9 1 1 A 55 55 HIS N N 55 126.094 121.954 4.140 1
1 619 . 9 1 1 A 56 56 VAL H H 56 8.151 8.729 -0.578 1
1 620 . 9 1 1 A 56 56 VAL HA H 56 4.856 4.619 0.237 1
1 628 . 9 1 1 A 56 56 VAL CA C 56 58.734 59.926 -1.192 1
1 629 . 9 1 1 A 56 56 VAL CB C 56 34.523 35.599 -1.076 1
1 632 . 9 1 1 A 56 56 VAL N N 56 120.242 121.111 -0.869 1
1 633 . 9 1 1 A 57 57 ASN H H 57 8.970 8.858 0.112 1
1 634 . 9 1 1 A 57 57 ASN HA H 57 4.463 4.404 0.059 1
1 637 . 9 1 1 A 57 57 ASN CA C 57 54.963 54.997 -0.034 1
1 638 . 9 1 1 A 57 57 ASN CB C 57 37.481 37.703 -0.222 1
1 639 . 9 1 1 A 57 57 ASN N N 57 124.652 124.382 0.270 1
1 640 . 9 1 1 A 58 58 GLY H H 58 8.868 8.702 0.166 1
1 641 . 9 1 1 A 58 58 GLY HA2 H 58 3.814 4.052 -0.238 1
1 642 . 9 1 1 A 58 58 GLY HA3 H 58 4.152 4.052 0.100 1
1 643 . 9 1 1 A 58 58 GLY CA C 58 45.606 45.034 0.572 1
1 644 . 9 1 1 A 58 58 GLY N N 58 112.816 111.849 0.967 1
1 645 . 9 1 1 A 59 59 GLY H H 59 7.848 7.490 0.358 1
1 646 . 9 1 1 A 59 59 GLY HA2 H 59 3.978 3.975 0.003 1
1 647 . 9 1 1 A 59 59 GLY HA3 H 59 4.153 4.007 0.146 1
1 648 . 9 1 1 A 59 59 GLY CA C 59 45.321 45.194 0.127 1
1 649 . 9 1 1 A 59 59 GLY N N 59 109.857 107.225 2.632 1
1 650 . 9 1 1 A 60 60 GLU H H 60 8.262 8.602 -0.340 1
1 651 . 9 1 1 A 60 60 GLU HA H 60 5.110 4.902 0.208 1
1 656 . 9 1 1 A 60 60 GLU CA C 60 54.756 54.604 0.152 1
1 657 . 9 1 1 A 60 60 GLU CB C 60 32.933 33.414 -0.481 1
1 659 . 9 1 1 A 60 60 GLU N N 60 121.732 120.453 1.279 1
1 660 . 9 1 1 A 61 61 ILE H H 61 8.764 8.578 0.186 1
1 661 . 9 1 1 A 61 61 ILE HA H 61 4.286 4.828 -0.542 1
1 671 . 9 1 1 A 61 61 ILE CA C 61 59.713 60.177 -0.464 1
1 672 . 9 1 1 A 61 61 ILE CB C 61 41.194 39.497 1.697 1
1 676 . 9 1 1 A 61 61 ILE N N 61 124.817 123.885 0.932 1
1 677 . 9 1 1 A 62 62 HIS H H 62 8.907 8.837 0.070 1
1 678 . 9 1 1 A 62 62 HIS HA H 62 5.743 5.214 0.529 1
1 682 . 9 1 1 A 62 62 HIS CA C 62 54.009 53.858 0.151 1
1 683 . 9 1 1 A 62 62 HIS CB C 62 32.365 33.068 -0.703 1
1 685 . 9 1 1 A 62 62 HIS N N 62 127.338 126.944 0.394 1
1 686 . 9 1 1 A 63 63 ALA H H 63 8.298 9.114 -0.816 1
1 687 . 9 1 1 A 63 63 ALA HA H 63 4.480 5.010 -0.530 1
1 691 . 9 1 1 A 63 63 ALA CA C 63 51.764 51.156 0.608 1
1 692 . 9 1 1 A 63 63 ALA CB C 63 23.678 24.315 -0.637 1
1 693 . 9 1 1 A 63 63 ALA N N 63 125.511 129.341 -3.830 1
1 694 . 9 1 1 A 64 64 SER H H 64 8.070 8.725 -0.655 1
1 695 . 9 1 1 A 64 64 SER HA H 64 5.286 5.416 -0.130 1
1 698 . 9 1 1 A 64 64 SER CA C 64 56.782 57.500 -0.718 1
1 699 . 9 1 1 A 64 64 SER CB C 64 65.895 66.116 -0.221 1
1 700 . 9 1 1 A 64 64 SER N N 64 114.469 115.669 -1.200 1
1 701 . 9 1 1 A 65 65 ALA H H 65 8.904 8.774 0.130 1
1 702 . 9 1 1 A 65 65 ALA HA H 65 4.669 5.282 -0.613 1
1 706 . 9 1 1 A 65 65 ALA CA C 65 51.753 50.784 0.969 1
1 707 . 9 1 1 A 65 65 ALA CB C 65 22.599 23.986 -1.387 1
1 708 . 9 1 1 A 65 65 ALA N N 65 126.977 123.753 3.224 1
1 709 . 9 1 1 A 66 66 GLU H H 66 8.200 8.960 -0.760 1
1 710 . 9 1 1 A 66 66 GLU HA H 66 5.680 5.318 0.362 1
1 715 . 9 1 1 A 66 66 GLU CA C 66 53.650 54.541 -0.891 1
1 716 . 9 1 1 A 66 66 GLU CB C 66 33.741 34.082 -0.341 1
1 718 . 9 1 1 A 66 66 GLU N N 66 119.267 117.241 2.026 1
1 719 . 9 1 1 A 67 67 GLY H H 67 8.836 8.302 0.534 1
1 720 . 9 1 1 A 67 67 GLY HA2 H 67 4.490 4.172 0.318 1
1 721 . 9 1 1 A 67 67 GLY HA3 H 67 3.728 4.172 -0.444 1
1 722 . 9 1 1 A 67 67 GLY CA C 67 45.157 45.945 -0.788 1
1 723 . 9 1 1 A 67 67 GLY N N 67 108.048 107.388 0.660 1
1 724 . 9 1 1 A 68 68 GLN H H 68 8.997 8.441 0.556 1
1 725 . 9 1 1 A 68 68 GLN HA H 68 4.440 4.582 -0.142 1
1 730 . 9 1 1 A 68 68 GLN CA C 68 56.996 56.592 0.404 1
1 731 . 9 1 1 A 68 68 GLN CB C 68 28.694 32.023 -3.329 1
1 733 . 9 1 1 A 68 68 GLN N N 68 119.961 124.758 -4.797 1
1 734 . 9 1 1 A 69 69 ASP H H 69 7.542 7.548 -0.006 1
1 735 . 9 1 1 A 69 69 ASP HA H 69 3.242 3.356 -0.114 1
1 738 . 9 1 1 A 69 69 ASP CA C 69 51.838 52.409 -0.571 1
1 739 . 9 1 1 A 69 69 ASP CB C 69 42.829 42.172 0.657 1
1 740 . 9 1 1 A 69 69 ASP N N 69 115.279 114.724 0.555 1
1 741 . 9 1 1 A 70 70 MET H H 70 8.409 8.712 -0.303 1
1 742 . 9 1 1 A 70 70 MET HA H 70 4.200 4.241 -0.041 1
1 747 . 9 1 1 A 70 70 MET CA C 70 56.505 58.840 -2.335 1
1 748 . 9 1 1 A 70 70 MET CB C 70 31.533 32.094 -0.561 1
1 750 . 9 1 1 A 70 70 MET N N 70 120.495 118.365 2.130 1
1 751 . 9 1 1 A 71 71 TYR H H 71 7.304 7.448 -0.144 1
1 752 . 9 1 1 A 71 71 TYR HA H 71 3.832 4.437 -0.605 1
1 757 . 9 1 1 A 71 71 TYR CA C 71 60.141 60.825 -0.684 1
1 758 . 9 1 1 A 71 71 TYR CB C 71 35.788 38.714 -2.926 1
1 761 . 9 1 1 A 71 71 TYR N N 71 120.024 118.455 1.569 1
1 762 . 9 1 1 A 72 72 ALA H H 72 8.474 8.350 0.124 1
1 763 . 9 1 1 A 72 72 ALA HA H 72 4.213 4.087 0.126 1
1 767 . 9 1 1 A 72 72 ALA CA C 72 54.526 55.118 -0.592 1
1 768 . 9 1 1 A 72 72 ALA CB C 72 18.884 18.201 0.683 1
1 769 . 9 1 1 A 72 72 ALA N N 72 123.384 123.085 0.299 1
1 770 . 9 1 1 A 73 73 ALA H H 73 7.595 8.232 -0.637 1
1 771 . 9 1 1 A 73 73 ALA HA H 73 3.731 4.155 -0.424 1
1 775 . 9 1 1 A 73 73 ALA CA C 73 55.647 55.198 0.449 1
1 776 . 9 1 1 A 73 73 ALA CB C 73 17.460 18.307 -0.847 1
1 777 . 9 1 1 A 73 73 ALA N N 73 123.415 120.326 3.089 1
1 778 . 9 1 1 A 74 74 ILE H H 74 7.958 7.998 -0.040 1
1 779 . 9 1 1 A 74 74 ILE HA H 74 3.692 3.804 -0.112 1
1 789 . 9 1 1 A 74 74 ILE CA C 74 63.902 64.879 -0.977 1
1 790 . 9 1 1 A 74 74 ILE CB C 74 37.010 36.742 0.268 1
1 794 . 9 1 1 A 74 74 ILE N N 74 119.834 118.816 1.018 1
1 795 . 9 1 1 A 75 75 ASP H H 75 8.468 8.322 0.146 1
1 796 . 9 1 1 A 75 75 ASP HA H 75 4.282 4.391 -0.109 1
1 799 . 9 1 1 A 75 75 ASP CA C 75 58.107 57.563 0.544 1
1 800 . 9 1 1 A 75 75 ASP CB C 75 40.628 40.473 0.155 1
1 801 . 9 1 1 A 75 75 ASP N N 75 122.091 121.395 0.696 1
1 802 . 9 1 1 A 76 76 GLY H H 76 8.041 8.326 -0.285 1
1 803 . 9 1 1 A 76 76 GLY HA2 H 76 3.845 3.711 0.134 1
1 804 . 9 1 1 A 76 76 GLY HA3 H 76 3.863 3.717 0.146 1
1 805 . 9 1 1 A 76 76 GLY CA C 76 46.668 47.079 -0.411 1
1 806 . 9 1 1 A 76 76 GLY N N 76 108.081 108.413 -0.332 1
1 807 . 9 1 1 A 77 77 LEU H H 77 8.088 7.939 0.149 1
1 808 . 9 1 1 A 77 77 LEU HA H 77 3.709 4.184 -0.475 1
1 818 . 9 1 1 A 77 77 LEU CA C 77 57.865 57.291 0.574 1
1 819 . 9 1 1 A 77 77 LEU CB C 77 41.828 41.633 0.195 1
1 823 . 9 1 1 A 77 77 LEU N N 77 126.711 123.126 3.585 1
1 824 . 9 1 1 A 78 78 ILE H H 78 8.155 8.130 0.025 1
1 825 . 9 1 1 A 78 78 ILE HA H 78 3.316 3.815 -0.499 1
1 835 . 9 1 1 A 78 78 ILE CA C 78 62.813 62.792 0.021 1
1 836 . 9 1 1 A 78 78 ILE CB C 78 34.810 37.677 -2.867 1
1 840 . 9 1 1 A 78 78 ILE N N 78 120.409 119.112 1.297 1
1 841 . 9 1 1 A 79 79 ASP H H 79 7.408 7.971 -0.563 1
1 842 . 9 1 1 A 79 79 ASP HA H 79 4.274 4.352 -0.078 1
1 845 . 9 1 1 A 79 79 ASP CA C 79 57.605 57.208 0.397 1
1 846 . 9 1 1 A 79 79 ASP CB C 79 41.017 41.193 -0.176 1
1 847 . 9 1 1 A 79 79 ASP N N 79 120.497 122.452 -1.955 1
1 848 . 9 1 1 A 80 80 LYS H H 80 7.536 8.002 -0.466 1
1 849 . 9 1 1 A 80 80 LYS HA H 80 3.931 4.073 -0.142 1
1 858 . 9 1 1 A 80 80 LYS CA C 80 59.952 59.019 0.933 1
1 859 . 9 1 1 A 80 80 LYS CB C 80 33.221 31.763 1.458 1
1 863 . 9 1 1 A 80 80 LYS N N 80 119.684 118.604 1.080 1
1 864 . 9 1 1 A 81 81 LEU H H 81 8.473 7.849 0.624 1
1 865 . 9 1 1 A 81 81 LEU HA H 81 3.765 3.942 -0.177 1
1 875 . 9 1 1 A 81 81 LEU CA C 81 57.564 57.820 -0.256 1
1 876 . 9 1 1 A 81 81 LEU CB C 81 42.473 41.595 0.878 1
1 880 . 9 1 1 A 81 81 LEU N N 81 121.519 120.779 0.740 1
1 881 . 9 1 1 A 82 82 ALA H H 82 8.682 8.198 0.484 1
1 882 . 9 1 1 A 82 82 ALA HA H 82 3.479 4.358 -0.879 1
1 886 . 9 1 1 A 82 82 ALA CA C 82 55.731 55.732 -0.001 1
1 887 . 9 1 1 A 82 82 ALA CB C 82 17.388 18.423 -1.035 1
1 888 . 9 1 1 A 82 82 ALA N N 82 123.814 121.246 2.568 1
1 889 . 9 1 1 A 83 83 ARG H H 83 7.329 7.843 -0.514 1
1 890 . 9 1 1 A 83 83 ARG HA H 83 3.981 4.130 -0.149 1
1 897 . 9 1 1 A 83 83 ARG CA C 83 59.137 59.712 -0.575 1
1 898 . 9 1 1 A 83 83 ARG CB C 83 29.971 30.170 -0.199 1
1 901 . 9 1 1 A 83 83 ARG N N 83 118.219 117.695 0.524 1
1 902 . 9 1 1 A 84 84 GLN H H 84 7.750 7.585 0.165 1
1 903 . 9 1 1 A 84 84 GLN HA H 84 4.047 4.176 -0.129 1
1 906 . 9 1 1 A 84 84 GLN CA C 84 58.685 58.410 0.275 1
1 907 . 9 1 1 A 84 84 GLN CB C 84 29.903 28.679 1.224 1
1 909 . 9 1 1 A 84 84 GLN N N 84 119.887 119.430 0.457 1
1 910 . 9 1 1 A 85 85 LEU H H 85 8.610 8.550 0.060 1
1 911 . 9 1 1 A 85 85 LEU HA H 85 3.788 4.001 -0.213 1
1 920 . 9 1 1 A 85 85 LEU CA C 85 57.600 57.690 -0.090 1
1 921 . 9 1 1 A 85 85 LEU CB C 85 41.178 41.041 0.137 1
1 925 . 9 1 1 A 85 85 LEU N N 85 122.951 120.057 2.894 1
1 926 . 9 1 1 A 86 86 THR H H 86 7.709 8.386 -0.677 1
1 927 . 9 1 1 A 86 86 THR HA H 86 4.056 4.121 -0.065 1
1 932 . 9 1 1 A 86 86 THR CA C 86 65.924 66.191 -0.267 1
1 933 . 9 1 1 A 86 86 THR CB C 86 68.870 68.459 0.411 1
1 935 . 9 1 1 A 86 86 THR N N 86 116.282 110.648 5.634 1
1 936 . 9 1 1 A 87 87 LYS H H 87 7.457 8.015 -0.558 1
1 937 . 9 1 1 A 87 87 LYS HA H 87 4.102 4.019 0.083 1
1 946 . 9 1 1 A 87 87 LYS CA C 87 58.289 59.573 -1.284 1
1 947 . 9 1 1 A 87 87 LYS CB C 87 32.293 32.620 -0.327 1
1 951 . 9 1 1 A 87 87 LYS N N 87 122.670 122.386 0.284 1
1 952 . 9 1 1 A 88 88 HIS H H 88 7.928 8.114 -0.186 1
1 953 . 9 1 1 A 88 88 HIS HA H 88 4.301 4.240 0.061 1
1 957 . 9 1 1 A 88 88 HIS CA C 88 58.361 59.151 -0.790 1
1 958 . 9 1 1 A 88 88 HIS CB C 88 30.766 28.627 2.139 1
1 960 . 9 1 1 A 88 88 HIS N N 88 121.382 117.618 3.764 1
1 961 . 9 1 1 A 89 89 LYS H H 89 7.928 7.336 0.592 1
1 962 . 9 1 1 A 89 89 LYS HA H 89 3.934 3.914 0.020 1
1 971 . 9 1 1 A 89 89 LYS CA C 89 58.568 58.560 0.008 1
1 972 . 9 1 1 A 89 89 LYS CB C 89 32.489 31.834 0.655 1
1 976 . 9 1 1 A 89 89 LYS N N 89 121.821 121.304 0.517 1
1 977 . 9 1 1 A 90 90 ASP H H 90 8.143 8.020 0.123 1
1 978 . 9 1 1 A 90 90 ASP HA H 90 4.445 4.371 0.074 1
1 981 . 9 1 1 A 90 90 ASP CA C 90 55.869 57.169 -1.300 1
1 982 . 9 1 1 A 90 90 ASP CB C 90 40.715 40.646 0.069 1
1 983 . 9 1 1 A 90 90 ASP N N 90 121.199 119.367 1.832 1
1 984 . 9 1 1 A 91 91 LYS H H 91 7.867 7.763 0.104 1
1 985 . 9 1 1 A 91 91 LYS HA H 91 4.130 4.036 0.094 1
1 994 . 9 1 1 A 91 91 LYS CA C 91 57.421 58.955 -1.534 1
1 995 . 9 1 1 A 91 91 LYS CB C 91 32.365 32.153 0.212 1
1 999 . 9 1 1 A 91 91 LYS N N 91 121.976 118.886 3.090 1
1 1000 . 9 1 1 A 92 92 LEU H H 92 7.709 7.748 -0.039 1
1 1001 . 9 1 1 A 92 92 LEU HA H 92 4.171 3.959 0.212 1
1 1011 . 9 1 1 A 92 92 LEU CA C 92 55.449 58.147 -2.698 1
1 1012 . 9 1 1 A 92 92 LEU CB C 92 41.871 41.772 0.099 1
1 1016 . 9 1 1 A 92 92 LEU N N 92 121.802 120.025 1.777 1
1 1017 . 9 1 1 A 93 93 LYS H H 93 7.751 8.008 -0.257 1
1 1018 . 9 1 1 A 93 93 LYS HA H 93 4.197 3.948 0.249 1
1 1027 . 9 1 1 A 93 93 LYS CA C 93 56.420 58.707 -2.287 1
1 1028 . 9 1 1 A 93 93 LYS CB C 93 32.792 31.308 1.484 1
1 1032 . 9 1 1 A 93 93 LYS N N 93 121.954 117.223 4.731 1
1 1033 . 9 1 1 A 94 94 GLN H H 94 8.129 8.075 0.054 1
1 1034 . 9 1 1 A 94 94 GLN HA H 94 4.208 4.864 -0.656 1
1 1039 . 9 1 1 A 94 94 GLN CA C 94 55.891 53.847 2.044 1
1 1040 . 9 1 1 A 94 94 GLN CB C 94 29.236 31.172 -1.936 1
1 1042 . 9 1 1 A 94 94 GLN N N 94 123.165 114.413 8.752 1
1 1 . 10 1 1 A 2 2 GLN H H 2 7.809 7.395 0.414 1
1 2 . 10 1 1 A 2 2 GLN HA H 2 4.394 4.490 -0.096 1
1 7 . 10 1 1 A 2 2 GLN CA C 2 55.124 54.833 0.291 1
1 8 . 10 1 1 A 2 2 GLN CB C 2 30.385 27.924 2.461 1
1 10 . 10 1 1 A 2 2 GLN N N 2 126.586 118.741 7.845 1
1 11 . 10 1 1 A 3 3 LEU H H 3 8.598 8.527 0.071 1
1 12 . 10 1 1 A 3 3 LEU HA H 3 4.380 5.566 -1.186 1
1 22 . 10 1 1 A 3 3 LEU CA C 3 54.590 52.467 2.123 1
1 23 . 10 1 1 A 3 3 LEU CB C 3 43.701 45.697 -1.996 1
1 27 . 10 1 1 A 3 3 LEU N N 3 128.942 120.470 8.472 1
1 28 . 10 1 1 A 4 4 ASN H H 4 8.227 8.716 -0.489 1
1 29 . 10 1 1 A 4 4 ASN HA H 4 4.864 5.350 -0.486 1
1 32 . 10 1 1 A 4 4 ASN CA C 4 52.628 51.893 0.735 1
1 33 . 10 1 1 A 4 4 ASN CB C 4 41.258 42.819 -1.561 1
1 34 . 10 1 1 A 4 4 ASN N N 4 127.137 116.815 10.322 1
1 35 . 10 1 1 A 5 5 ILE H H 5 8.659 8.612 0.047 1
1 36 . 10 1 1 A 5 5 ILE HA H 5 4.901 5.384 -0.483 1
1 46 . 10 1 1 A 5 5 ILE CA C 5 60.288 59.113 1.175 1
1 47 . 10 1 1 A 5 5 ILE CB C 5 40.902 42.344 -1.442 1
1 51 . 10 1 1 A 5 5 ILE N N 5 126.355 115.495 10.860 1
1 52 . 10 1 1 A 6 6 THR H H 6 8.796 8.922 -0.126 1
1 53 . 10 1 1 A 6 6 THR HA H 6 4.654 4.901 -0.247 1
1 58 . 10 1 1 A 6 6 THR CA C 6 60.751 60.613 0.138 1
1 59 . 10 1 1 A 6 6 THR CB C 6 71.993 71.647 0.346 1
1 61 . 10 1 1 A 6 6 THR N N 6 123.546 117.736 5.810 1
1 62 . 10 1 1 A 7 7 GLY H H 7 8.833 9.184 -0.351 1
1 63 . 10 1 1 A 7 7 GLY HA2 H 7 3.764 4.193 -0.429 1
1 64 . 10 1 1 A 7 7 GLY HA3 H 7 5.071 4.199 0.872 1
1 65 . 10 1 1 A 7 7 GLY CA C 7 44.318 44.778 -0.460 1
1 66 . 10 1 1 A 7 7 GLY N N 7 112.240 115.067 -2.827 1
1 67 . 10 1 1 A 8 8 ASN H H 8 8.962 8.271 0.691 1
1 68 . 10 1 1 A 8 8 ASN HA H 8 4.828 5.390 -0.562 1
1 71 . 10 1 1 A 8 8 ASN CA C 8 52.799 52.311 0.488 1
1 72 . 10 1 1 A 8 8 ASN CB C 8 39.244 39.436 -0.192 1
1 73 . 10 1 1 A 8 8 ASN N N 8 124.384 120.541 3.843 1
1 74 . 10 1 1 A 9 9 ASN H H 9 8.756 9.076 -0.320 1
1 75 . 10 1 1 A 9 9 ASN HA H 9 4.248 4.281 -0.033 1
1 78 . 10 1 1 A 9 9 ASN CA C 9 53.998 54.313 -0.315 1
1 79 . 10 1 1 A 9 9 ASN CB C 9 37.231 37.666 -0.435 1
1 80 . 10 1 1 A 9 9 ASN N N 9 120.082 118.278 1.804 1
1 81 . 10 1 1 A 10 10 VAL H H 10 6.825 7.736 -0.911 1
1 82 . 10 1 1 A 10 10 VAL HA H 10 4.097 4.558 -0.461 1
1 90 . 10 1 1 A 10 10 VAL CA C 10 60.425 60.175 0.250 1
1 91 . 10 1 1 A 10 10 VAL CB C 10 34.765 35.389 -0.624 1
1 94 . 10 1 1 A 10 10 VAL N N 10 115.342 117.390 -2.048 1
1 95 . 10 1 1 A 11 11 GLU H H 11 8.347 8.535 -0.188 1
1 96 . 10 1 1 A 11 11 GLU HA H 11 4.174 4.596 -0.422 1
1 101 . 10 1 1 A 11 11 GLU CA C 11 55.442 56.250 -0.808 1
1 102 . 10 1 1 A 11 11 GLU CB C 11 30.114 30.084 0.030 1
1 104 . 10 1 1 A 11 11 GLU N N 11 129.115 127.766 1.349 1
1 105 . 10 1 1 A 12 12 ILE H H 12 8.942 8.731 0.211 1
1 106 . 10 1 1 A 12 12 ILE HA H 12 4.034 4.295 -0.261 1
1 116 . 10 1 1 A 12 12 ILE CA C 12 58.894 61.596 -2.702 1
1 117 . 10 1 1 A 12 12 ILE CB C 12 33.240 36.693 -3.453 1
1 121 . 10 1 1 A 12 12 ILE N N 12 128.622 127.538 1.084 1
1 122 . 10 1 1 A 13 13 THR H H 13 6.818 7.956 -1.138 1
1 123 . 10 1 1 A 13 13 THR HA H 13 4.429 4.888 -0.459 1
1 128 . 10 1 1 A 13 13 THR CA C 13 60.052 60.261 -0.209 1
1 129 . 10 1 1 A 13 13 THR CB C 13 70.842 70.649 0.193 1
1 131 . 10 1 1 A 13 13 THR N N 13 119.687 120.137 -0.450 1
1 132 . 10 1 1 A 14 14 GLU H H 14 8.969 9.036 -0.067 1
1 133 . 10 1 1 A 14 14 GLU HA H 14 4.024 4.050 -0.026 1
1 138 . 10 1 1 A 14 14 GLU CA C 14 59.794 59.221 0.573 1
1 139 . 10 1 1 A 14 14 GLU CB C 14 28.845 28.995 -0.150 1
1 141 . 10 1 1 A 14 14 GLU N N 14 123.290 123.511 -0.221 1
1 142 . 10 1 1 A 15 15 ALA H H 15 8.334 7.887 0.447 1
1 143 . 10 1 1 A 15 15 ALA HA H 15 4.151 4.124 0.027 1
1 147 . 10 1 1 A 15 15 ALA CA C 15 55.076 55.187 -0.111 1
1 148 . 10 1 1 A 15 15 ALA CB C 15 18.008 18.613 -0.605 1
1 149 . 10 1 1 A 15 15 ALA N N 15 121.958 122.288 -0.330 1
1 150 . 10 1 1 A 16 16 LEU H H 16 7.765 8.201 -0.436 1
1 151 . 10 1 1 A 16 16 LEU HA H 16 4.240 4.265 -0.025 1
1 161 . 10 1 1 A 16 16 LEU CA C 16 57.674 58.169 -0.495 1
1 162 . 10 1 1 A 16 16 LEU CB C 16 42.122 41.843 0.279 1
1 166 . 10 1 1 A 16 16 LEU N N 16 123.064 120.119 2.945 1
1 167 . 10 1 1 A 17 17 ARG H H 17 8.627 8.163 0.464 1
1 168 . 10 1 1 A 17 17 ARG HA H 17 3.595 4.101 -0.506 1
1 175 . 10 1 1 A 17 17 ARG CA C 17 60.573 59.126 1.447 1
1 176 . 10 1 1 A 17 17 ARG CB C 17 29.679 30.328 -0.649 1
1 179 . 10 1 1 A 17 17 ARG N N 17 121.878 118.261 3.617 1
1 180 . 10 1 1 A 18 18 GLU H H 18 8.665 8.073 0.592 1
1 181 . 10 1 1 A 18 18 GLU HA H 18 3.952 4.107 -0.155 1
1 186 . 10 1 1 A 18 18 GLU CA C 18 59.654 59.492 0.162 1
1 187 . 10 1 1 A 18 18 GLU CB C 18 29.301 29.733 -0.432 1
1 189 . 10 1 1 A 18 18 GLU N N 18 123.257 119.497 3.760 1
1 190 . 10 1 1 A 19 19 PHE H H 19 8.026 8.259 -0.233 1
1 191 . 10 1 1 A 19 19 PHE HA H 19 4.258 4.146 0.112 1
1 195 . 10 1 1 A 19 19 PHE CA C 19 61.640 61.427 0.213 1
1 196 . 10 1 1 A 19 19 PHE CB C 19 39.547 39.500 0.047 1
1 198 . 10 1 1 A 19 19 PHE N N 19 123.888 121.691 2.197 1
1 199 . 10 1 1 A 20 20 VAL H H 20 8.734 8.278 0.456 1
1 200 . 10 1 1 A 20 20 VAL HA H 20 3.336 3.717 -0.381 1
1 208 . 10 1 1 A 20 20 VAL CA C 20 67.245 66.603 0.642 1
1 209 . 10 1 1 A 20 20 VAL CB C 20 31.965 31.948 0.017 1
1 212 . 10 1 1 A 20 20 VAL N N 20 119.762 119.177 0.585 1
1 213 . 10 1 1 A 21 21 THR H H 21 8.213 8.274 -0.061 1
1 214 . 10 1 1 A 21 21 THR HA H 21 3.615 4.027 -0.412 1
1 218 . 10 1 1 A 21 21 THR CA C 21 67.657 66.282 1.375 1
1 219 . 10 1 1 A 21 21 THR CB C 21 68.697 68.265 0.432 1
1 221 . 10 1 1 A 21 21 THR N N 21 117.446 115.183 2.263 1
1 222 . 10 1 1 A 22 22 ALA H H 22 8.050 8.433 -0.383 1
1 223 . 10 1 1 A 22 22 ALA HA H 22 4.084 3.973 0.111 1
1 227 . 10 1 1 A 22 22 ALA CA C 22 54.998 55.556 -0.558 1
1 228 . 10 1 1 A 22 22 ALA CB C 22 17.880 18.559 -0.679 1
1 229 . 10 1 1 A 22 22 ALA N N 22 125.291 123.276 2.015 1
1 230 . 10 1 1 A 23 23 LYS H H 23 7.868 7.561 0.307 1
1 231 . 10 1 1 A 23 23 LYS HA H 23 3.886 3.882 0.004 1
1 240 . 10 1 1 A 23 23 LYS CA C 23 57.286 58.835 -1.549 1
1 241 . 10 1 1 A 23 23 LYS CB C 23 30.651 32.250 -1.599 1
1 245 . 10 1 1 A 23 23 LYS N N 23 119.332 117.359 1.973 1
1 246 . 10 1 1 A 24 24 PHE H H 24 8.369 8.113 0.256 1
1 247 . 10 1 1 A 24 24 PHE HA H 24 3.805 4.389 -0.584 1
1 252 . 10 1 1 A 24 24 PHE CA C 24 62.055 60.169 1.886 1
1 253 . 10 1 1 A 24 24 PHE CB C 24 38.744 38.631 0.113 1
1 256 . 10 1 1 A 24 24 PHE N N 24 119.142 118.466 0.676 1
1 257 . 10 1 1 A 25 25 ALA H H 25 7.879 8.429 -0.550 1
1 258 . 10 1 1 A 25 25 ALA HA H 25 4.140 4.441 -0.301 1
1 262 . 10 1 1 A 25 25 ALA CA C 25 55.014 55.364 -0.350 1
1 263 . 10 1 1 A 25 25 ALA CB C 25 17.773 18.182 -0.409 1
1 264 . 10 1 1 A 25 25 ALA N N 25 123.500 121.659 1.841 1
1 265 . 10 1 1 A 26 26 LYS H H 26 7.217 7.640 -0.423 1
1 266 . 10 1 1 A 26 26 LYS HA H 26 4.024 3.888 0.136 1
1 275 . 10 1 1 A 26 26 LYS CA C 26 58.189 59.221 -1.032 1
1 276 . 10 1 1 A 26 26 LYS CB C 26 32.033 32.251 -0.218 1
1 280 . 10 1 1 A 26 26 LYS N N 26 118.541 118.567 -0.026 1
1 281 . 10 1 1 A 27 27 LEU H H 27 7.773 8.020 -0.247 1
1 282 . 10 1 1 A 27 27 LEU HA H 27 4.257 3.342 0.915 1
1 292 . 10 1 1 A 27 27 LEU CA C 27 55.889 56.569 -0.680 1
1 293 . 10 1 1 A 27 27 LEU CB C 27 41.083 41.688 -0.605 1
1 297 . 10 1 1 A 27 27 LEU N N 27 118.340 119.635 -1.295 1
1 298 . 10 1 1 A 28 28 GLU H H 28 7.296 8.299 -1.003 1
1 299 . 10 1 1 A 28 28 GLU HA H 28 3.489 4.351 -0.862 1
1 304 . 10 1 1 A 28 28 GLU CA C 28 58.336 58.874 -0.538 1
1 305 . 10 1 1 A 28 28 GLU CB C 28 29.265 29.421 -0.156 1
1 307 . 10 1 1 A 28 28 GLU N N 28 119.557 119.469 0.088 1
1 308 . 10 1 1 A 29 29 GLN H H 29 7.783 7.672 0.111 1
1 309 . 10 1 1 A 29 29 GLN HA H 29 3.923 4.009 -0.086 1
1 314 . 10 1 1 A 29 29 GLN CA C 29 57.387 58.397 -1.010 1
1 315 . 10 1 1 A 29 29 GLN CB C 29 28.082 28.561 -0.479 1
1 317 . 10 1 1 A 29 29 GLN N N 29 117.927 119.927 -2.000 1
1 318 . 10 1 1 A 30 30 TYR H H 30 7.731 6.840 0.891 1
1 319 . 10 1 1 A 30 30 TYR HA H 30 4.433 4.453 -0.020 1
1 324 . 10 1 1 A 30 30 TYR CA C 30 58.371 57.723 0.648 1
1 325 . 10 1 1 A 30 30 TYR CB C 30 39.297 38.922 0.375 1
1 328 . 10 1 1 A 30 30 TYR N N 30 118.639 117.324 1.315 1
1 329 . 10 1 1 A 31 31 PHE H H 31 7.652 8.141 -0.489 1
1 330 . 10 1 1 A 31 31 PHE HA H 31 4.605 4.962 -0.357 1
1 334 . 10 1 1 A 31 31 PHE CA C 31 58.507 57.588 0.919 1
1 335 . 10 1 1 A 31 31 PHE CB C 31 40.438 39.932 0.506 1
1 337 . 10 1 1 A 31 31 PHE N N 31 119.753 119.836 -0.083 1
1 338 . 10 1 1 A 32 32 ASP H H 32 8.087 8.751 -0.664 1
1 339 . 10 1 1 A 32 32 ASP HA H 32 4.465 4.909 -0.444 1
1 342 . 10 1 1 A 32 32 ASP CA C 32 55.094 55.020 0.074 1
1 343 . 10 1 1 A 32 32 ASP CB C 32 40.511 42.250 -1.739 1
1 344 . 10 1 1 A 32 32 ASP N N 32 121.865 124.159 -2.294 1
1 345 . 10 1 1 A 33 33 ARG H H 33 7.083 7.922 -0.839 1
1 346 . 10 1 1 A 33 33 ARG HA H 33 4.412 4.519 -0.107 1
1 353 . 10 1 1 A 33 33 ARG CA C 33 55.082 55.751 -0.669 1
1 354 . 10 1 1 A 33 33 ARG CB C 33 30.409 28.706 1.703 1
1 357 . 10 1 1 A 33 33 ARG N N 33 119.603 116.422 3.181 1
1 358 . 10 1 1 A 34 34 ILE H H 34 8.139 8.463 -0.324 1
1 359 . 10 1 1 A 34 34 ILE HA H 34 4.051 4.827 -0.776 1
1 369 . 10 1 1 A 34 34 ILE CA C 34 61.543 60.816 0.727 1
1 370 . 10 1 1 A 34 34 ILE CB C 34 39.510 40.669 -1.159 1
1 374 . 10 1 1 A 34 34 ILE N N 34 123.576 124.302 -0.726 1
1 375 . 10 1 1 A 35 35 ASN H H 35 8.560 8.774 -0.214 1
1 376 . 10 1 1 A 35 35 ASN HA H 35 4.870 4.893 -0.023 1
1 379 . 10 1 1 A 35 35 ASN CA C 35 53.877 54.163 -0.286 1
1 380 . 10 1 1 A 35 35 ASN CB C 35 38.806 39.560 -0.754 1
1 381 . 10 1 1 A 35 35 ASN N N 35 126.934 121.733 5.201 1
1 382 . 10 1 1 A 36 36 GLN H H 36 7.843 7.884 -0.041 1
1 383 . 10 1 1 A 36 36 GLN HA H 36 4.519 5.305 -0.786 1
1 388 . 10 1 1 A 36 36 GLN CA C 36 56.345 54.221 2.124 1
1 389 . 10 1 1 A 36 36 GLN CB C 36 31.240 30.901 0.339 1
1 391 . 10 1 1 A 36 36 GLN N N 36 120.673 118.097 2.576 1
1 392 . 10 1 1 A 37 37 VAL H H 37 8.330 8.447 -0.117 1
1 393 . 10 1 1 A 37 37 VAL HA H 37 4.693 4.832 -0.139 1
1 401 . 10 1 1 A 37 37 VAL CA C 37 60.789 61.020 -0.231 1
1 402 . 10 1 1 A 37 37 VAL CB C 37 34.740 34.722 0.018 1
1 405 . 10 1 1 A 37 37 VAL N N 37 123.403 126.287 -2.884 1
1 406 . 10 1 1 A 38 38 TYR H H 38 8.943 7.962 0.981 1
1 407 . 10 1 1 A 38 38 TYR HA H 38 5.039 6.129 -1.090 1
1 412 . 10 1 1 A 38 38 TYR CA C 38 57.028 55.253 1.775 1
1 413 . 10 1 1 A 38 38 TYR CB C 38 39.705 42.084 -2.379 1
1 416 . 10 1 1 A 38 38 TYR N N 38 129.202 123.315 5.887 1
1 417 . 10 1 1 A 39 39 VAL H H 39 9.053 8.780 0.273 1
1 418 . 10 1 1 A 39 39 VAL HA H 39 5.048 5.157 -0.109 1
1 426 . 10 1 1 A 39 39 VAL CA C 39 60.685 60.561 0.124 1
1 427 . 10 1 1 A 39 39 VAL CB C 39 34.107 35.344 -1.237 1
1 430 . 10 1 1 A 39 39 VAL N N 39 127.771 123.240 4.531 1
1 431 . 10 1 1 A 40 40 VAL H H 40 9.276 8.920 0.356 1
1 432 . 10 1 1 A 40 40 VAL HA H 40 4.862 5.020 -0.158 1
1 440 . 10 1 1 A 40 40 VAL CA C 40 60.896 60.796 0.100 1
1 441 . 10 1 1 A 40 40 VAL CB C 40 34.411 35.861 -1.450 1
1 444 . 10 1 1 A 40 40 VAL N N 40 130.939 126.248 4.691 1
1 445 . 10 1 1 A 41 41 LEU H H 41 8.714 8.305 0.409 1
1 446 . 10 1 1 A 41 41 LEU HA H 41 5.111 5.588 -0.477 1
1 456 . 10 1 1 A 41 41 LEU CA C 41 53.150 53.016 0.134 1
1 457 . 10 1 1 A 41 41 LEU CB C 41 42.538 45.289 -2.751 1
1 461 . 10 1 1 A 41 41 LEU N N 41 130.200 125.014 5.186 1
1 462 . 10 1 1 A 42 42 LYS H H 42 8.955 9.853 -0.898 1
1 463 . 10 1 1 A 42 42 LYS HA H 42 5.180 5.483 -0.303 1
1 472 . 10 1 1 A 42 42 LYS CA C 42 55.017 54.695 0.322 1
1 473 . 10 1 1 A 42 42 LYS CB C 42 36.649 34.600 2.049 1
1 477 . 10 1 1 A 42 42 LYS N N 42 124.155 122.989 1.166 1
1 478 . 10 1 1 A 43 43 VAL H H 43 7.515 8.623 -1.108 1
1 479 . 10 1 1 A 43 43 VAL HA H 43 4.360 4.321 0.039 1
1 487 . 10 1 1 A 43 43 VAL CA C 43 61.230 60.972 0.258 1
1 488 . 10 1 1 A 43 43 VAL CB C 43 33.656 33.329 0.327 1
1 491 . 10 1 1 A 43 43 VAL N N 43 124.332 125.049 -0.717 1
1 492 . 10 1 1 A 44 44 GLU H H 44 8.092 8.270 -0.178 1
1 493 . 10 1 1 A 44 44 GLU HA H 44 4.368 4.754 -0.386 1
1 498 . 10 1 1 A 44 44 GLU CA C 44 55.445 54.302 1.143 1
1 499 . 10 1 1 A 44 44 GLU CB C 44 31.404 33.112 -1.708 1
1 501 . 10 1 1 A 44 44 GLU N N 44 130.594 126.058 4.536 1
1 502 . 10 1 1 A 45 45 LYS H H 45 8.982 8.799 0.183 1
1 503 . 10 1 1 A 45 45 LYS HA H 45 3.695 3.931 -0.236 1
1 512 . 10 1 1 A 45 45 LYS CA C 45 59.588 58.894 0.694 1
1 513 . 10 1 1 A 45 45 LYS CB C 45 30.077 32.086 -2.009 1
1 517 . 10 1 1 A 45 45 LYS N N 45 125.587 121.095 4.492 1
1 518 . 10 1 1 A 46 46 VAL H H 46 7.710 7.486 0.224 1
1 519 . 10 1 1 A 46 46 VAL HA H 46 4.346 4.004 0.342 1
1 527 . 10 1 1 A 46 46 VAL CA C 46 61.342 64.482 -3.140 1
1 528 . 10 1 1 A 46 46 VAL CB C 46 31.917 31.912 0.005 1
1 531 . 10 1 1 A 46 46 VAL N N 46 115.763 118.136 -2.373 1
1 532 . 10 1 1 A 47 47 THR H H 47 8.151 8.036 0.115 1
1 533 . 10 1 1 A 47 47 THR HA H 47 4.397 4.870 -0.473 1
1 538 . 10 1 1 A 47 47 THR CA C 47 63.072 59.688 3.384 1
1 539 . 10 1 1 A 47 47 THR CB C 47 69.615 72.183 -2.568 1
1 541 . 10 1 1 A 47 47 THR N N 47 120.888 112.558 8.330 1
1 542 . 10 1 1 A 48 48 HIS H H 48 8.753 8.725 0.028 1
1 543 . 10 1 1 A 48 48 HIS HA H 48 4.826 5.261 -0.435 1
1 547 . 10 1 1 A 48 48 HIS CA C 48 55.978 55.138 0.840 1
1 548 . 10 1 1 A 48 48 HIS CB C 48 30.476 31.217 -0.741 1
1 550 . 10 1 1 A 48 48 HIS N N 48 130.755 123.628 7.127 1
1 551 . 10 1 1 A 49 49 THR H H 49 9.136 8.419 0.717 1
1 552 . 10 1 1 A 49 49 THR HA H 49 5.245 5.120 0.125 1
1 557 . 10 1 1 A 49 49 THR CA C 49 60.941 61.228 -0.287 1
1 558 . 10 1 1 A 49 49 THR CB C 49 71.411 70.905 0.506 1
1 560 . 10 1 1 A 49 49 THR N N 49 118.522 117.462 1.060 1
1 561 . 10 1 1 A 50 50 SER H H 50 9.050 8.973 0.077 1
1 562 . 10 1 1 A 50 50 SER HA H 50 5.348 5.711 -0.363 1
1 565 . 10 1 1 A 50 50 SER CA C 50 55.645 56.485 -0.840 1
1 566 . 10 1 1 A 50 50 SER CB C 50 66.579 66.337 0.242 1
1 567 . 10 1 1 A 50 50 SER N N 50 119.749 121.109 -1.360 1
1 568 . 10 1 1 A 51 51 ASP H H 51 8.843 9.539 -0.696 1
1 569 . 10 1 1 A 51 51 ASP HA H 51 5.363 5.865 -0.502 1
1 572 . 10 1 1 A 51 51 ASP CA C 51 52.879 52.355 0.524 1
1 573 . 10 1 1 A 51 51 ASP CB C 51 45.173 44.588 0.585 1
1 574 . 10 1 1 A 51 51 ASP N N 51 126.330 121.679 4.651 1
1 575 . 10 1 1 A 52 52 ALA H H 52 8.938 9.526 -0.588 1
1 576 . 10 1 1 A 52 52 ALA HA H 52 5.777 5.042 0.735 1
1 580 . 10 1 1 A 52 52 ALA CA C 52 50.806 50.959 -0.153 1
1 581 . 10 1 1 A 52 52 ALA CB C 52 24.676 21.116 3.560 1
1 582 . 10 1 1 A 52 52 ALA N N 52 122.789 122.669 0.120 1
1 583 . 10 1 1 A 53 53 THR H H 53 8.666 8.568 0.098 1
1 584 . 10 1 1 A 53 53 THR HA H 53 4.979 4.870 0.109 1
1 589 . 10 1 1 A 53 53 THR CA C 53 62.026 61.332 0.694 1
1 590 . 10 1 1 A 53 53 THR CB C 53 70.850 68.657 2.193 1
1 592 . 10 1 1 A 53 53 THR N N 53 118.344 118.302 0.042 1
1 593 . 10 1 1 A 54 54 LEU H H 54 9.662 8.743 0.919 1
1 594 . 10 1 1 A 54 54 LEU HA H 54 4.921 4.979 -0.058 1
1 604 . 10 1 1 A 54 54 LEU CA C 54 53.923 53.848 0.075 1
1 605 . 10 1 1 A 54 54 LEU CB C 54 43.782 44.139 -0.357 1
1 609 . 10 1 1 A 54 54 LEU N N 54 129.166 127.497 1.669 1
1 610 . 10 1 1 A 55 55 HIS H H 55 8.956 9.072 -0.116 1
1 611 . 10 1 1 A 55 55 HIS HA H 55 4.882 5.098 -0.216 1
1 615 . 10 1 1 A 55 55 HIS CA C 55 56.326 54.931 1.395 1
1 616 . 10 1 1 A 55 55 HIS CB C 55 30.431 31.508 -1.077 1
1 618 . 10 1 1 A 55 55 HIS N N 55 126.094 121.889 4.205 1
1 619 . 10 1 1 A 56 56 VAL H H 56 8.151 8.711 -0.560 1
1 620 . 10 1 1 A 56 56 VAL HA H 56 4.856 4.557 0.299 1
1 628 . 10 1 1 A 56 56 VAL CA C 56 58.734 59.823 -1.089 1
1 629 . 10 1 1 A 56 56 VAL CB C 56 34.523 35.329 -0.806 1
1 632 . 10 1 1 A 56 56 VAL N N 56 120.242 121.705 -1.463 1
1 633 . 10 1 1 A 57 57 ASN H H 57 8.970 8.824 0.146 1
1 634 . 10 1 1 A 57 57 ASN HA H 57 4.463 4.370 0.093 1
1 637 . 10 1 1 A 57 57 ASN CA C 57 54.963 54.908 0.055 1
1 638 . 10 1 1 A 57 57 ASN CB C 57 37.481 37.646 -0.165 1
1 639 . 10 1 1 A 57 57 ASN N N 57 124.652 124.227 0.425 1
1 640 . 10 1 1 A 58 58 GLY H H 58 8.868 8.671 0.197 1
1 641 . 10 1 1 A 58 58 GLY HA2 H 58 3.814 4.018 -0.204 1
1 642 . 10 1 1 A 58 58 GLY HA3 H 58 4.152 4.023 0.129 1
1 643 . 10 1 1 A 58 58 GLY CA C 58 45.606 45.005 0.601 1
1 644 . 10 1 1 A 58 58 GLY N N 58 112.816 111.930 0.886 1
1 645 . 10 1 1 A 59 59 GLY H H 59 7.848 7.387 0.461 1
1 646 . 10 1 1 A 59 59 GLY HA2 H 59 3.978 3.952 0.026 1
1 647 . 10 1 1 A 59 59 GLY HA3 H 59 4.153 3.974 0.179 1
1 648 . 10 1 1 A 59 59 GLY CA C 59 45.321 45.532 -0.211 1
1 649 . 10 1 1 A 59 59 GLY N N 59 109.857 107.880 1.977 1
1 650 . 10 1 1 A 60 60 GLU H H 60 8.262 8.691 -0.429 1
1 651 . 10 1 1 A 60 60 GLU HA H 60 5.110 4.928 0.182 1
1 656 . 10 1 1 A 60 60 GLU CA C 60 54.756 54.564 0.192 1
1 657 . 10 1 1 A 60 60 GLU CB C 60 32.933 33.761 -0.828 1
1 659 . 10 1 1 A 60 60 GLU N N 60 121.732 120.101 1.631 1
1 660 . 10 1 1 A 61 61 ILE H H 61 8.764 8.545 0.219 1
1 661 . 10 1 1 A 61 61 ILE HA H 61 4.286 4.849 -0.563 1
1 671 . 10 1 1 A 61 61 ILE CA C 61 59.713 60.309 -0.596 1
1 672 . 10 1 1 A 61 61 ILE CB C 61 41.194 39.511 1.683 1
1 676 . 10 1 1 A 61 61 ILE N N 61 124.817 123.878 0.939 1
1 677 . 10 1 1 A 62 62 HIS H H 62 8.907 8.840 0.067 1
1 678 . 10 1 1 A 62 62 HIS HA H 62 5.743 5.224 0.519 1
1 682 . 10 1 1 A 62 62 HIS CA C 62 54.009 53.793 0.216 1
1 683 . 10 1 1 A 62 62 HIS CB C 62 32.365 33.151 -0.786 1
1 685 . 10 1 1 A 62 62 HIS N N 62 127.338 126.950 0.388 1
1 686 . 10 1 1 A 63 63 ALA H H 63 8.298 8.868 -0.570 1
1 687 . 10 1 1 A 63 63 ALA HA H 63 4.480 5.145 -0.665 1
1 691 . 10 1 1 A 63 63 ALA CA C 63 51.764 50.826 0.938 1
1 692 . 10 1 1 A 63 63 ALA CB C 63 23.678 24.167 -0.489 1
1 693 . 10 1 1 A 63 63 ALA N N 63 125.511 129.619 -4.108 1
1 694 . 10 1 1 A 64 64 SER H H 64 8.070 8.715 -0.645 1
1 695 . 10 1 1 A 64 64 SER HA H 64 5.286 5.650 -0.364 1
1 698 . 10 1 1 A 64 64 SER CA C 64 56.782 57.209 -0.427 1
1 699 . 10 1 1 A 64 64 SER CB C 64 65.895 67.055 -1.160 1
1 700 . 10 1 1 A 64 64 SER N N 64 114.469 112.608 1.861 1
1 701 . 10 1 1 A 65 65 ALA H H 65 8.904 9.084 -0.180 1
1 702 . 10 1 1 A 65 65 ALA HA H 65 4.669 5.167 -0.498 1
1 706 . 10 1 1 A 65 65 ALA CA C 65 51.753 51.111 0.642 1
1 707 . 10 1 1 A 65 65 ALA CB C 65 22.599 22.755 -0.156 1
1 708 . 10 1 1 A 65 65 ALA N N 65 126.977 122.702 4.275 1
1 709 . 10 1 1 A 66 66 GLU H H 66 8.200 8.722 -0.522 1
1 710 . 10 1 1 A 66 66 GLU HA H 66 5.680 5.532 0.148 1
1 715 . 10 1 1 A 66 66 GLU CA C 66 53.650 55.362 -1.712 1
1 716 . 10 1 1 A 66 66 GLU CB C 66 33.741 32.274 1.467 1
1 718 . 10 1 1 A 66 66 GLU N N 66 119.267 120.860 -1.593 1
1 719 . 10 1 1 A 67 67 GLY H H 67 8.836 8.199 0.637 1
1 720 . 10 1 1 A 67 67 GLY HA2 H 67 4.490 4.238 0.252 1
1 721 . 10 1 1 A 67 67 GLY HA3 H 67 3.728 4.245 -0.517 1
1 722 . 10 1 1 A 67 67 GLY CA C 67 45.157 45.130 0.027 1
1 723 . 10 1 1 A 67 67 GLY N N 67 108.048 107.707 0.341 1
1 724 . 10 1 1 A 68 68 GLN H H 68 8.997 8.707 0.290 1
1 725 . 10 1 1 A 68 68 GLN HA H 68 4.440 3.995 0.445 1
1 730 . 10 1 1 A 68 68 GLN CA C 68 56.996 57.781 -0.785 1
1 731 . 10 1 1 A 68 68 GLN CB C 68 28.694 28.821 -0.127 1
1 733 . 10 1 1 A 68 68 GLN N N 68 119.961 119.546 0.415 1
1 734 . 10 1 1 A 69 69 ASP H H 69 7.542 7.388 0.154 1
1 735 . 10 1 1 A 69 69 ASP HA H 69 3.242 3.827 -0.585 1
1 738 . 10 1 1 A 69 69 ASP CA C 69 51.838 52.552 -0.714 1
1 739 . 10 1 1 A 69 69 ASP CB C 69 42.829 42.144 0.685 1
1 740 . 10 1 1 A 69 69 ASP N N 69 115.279 114.142 1.137 1
1 741 . 10 1 1 A 70 70 MET H H 70 8.409 8.735 -0.326 1
1 742 . 10 1 1 A 70 70 MET HA H 70 4.200 4.272 -0.072 1
1 747 . 10 1 1 A 70 70 MET CA C 70 56.505 58.062 -1.557 1
1 748 . 10 1 1 A 70 70 MET CB C 70 31.533 32.279 -0.746 1
1 750 . 10 1 1 A 70 70 MET N N 70 120.495 118.496 1.999 1
1 751 . 10 1 1 A 71 71 TYR H H 71 7.304 7.167 0.137 1
1 752 . 10 1 1 A 71 71 TYR HA H 71 3.832 4.238 -0.406 1
1 757 . 10 1 1 A 71 71 TYR CA C 71 60.141 60.614 -0.473 1
1 758 . 10 1 1 A 71 71 TYR CB C 71 35.788 38.713 -2.925 1
1 761 . 10 1 1 A 71 71 TYR N N 71 120.024 118.245 1.779 1
1 762 . 10 1 1 A 72 72 ALA H H 72 8.474 8.938 -0.464 1
1 763 . 10 1 1 A 72 72 ALA HA H 72 4.213 3.973 0.240 1
1 767 . 10 1 1 A 72 72 ALA CA C 72 54.526 55.207 -0.681 1
1 768 . 10 1 1 A 72 72 ALA CB C 72 18.884 18.179 0.705 1
1 769 . 10 1 1 A 72 72 ALA N N 72 123.384 122.933 0.451 1
1 770 . 10 1 1 A 73 73 ALA H H 73 7.595 7.953 -0.358 1
1 771 . 10 1 1 A 73 73 ALA HA H 73 3.731 4.139 -0.408 1
1 775 . 10 1 1 A 73 73 ALA CA C 73 55.647 55.003 0.644 1
1 776 . 10 1 1 A 73 73 ALA CB C 73 17.460 18.543 -1.083 1
1 777 . 10 1 1 A 73 73 ALA N N 73 123.415 119.904 3.511 1
1 778 . 10 1 1 A 74 74 ILE H H 74 7.958 7.987 -0.029 1
1 779 . 10 1 1 A 74 74 ILE HA H 74 3.692 3.797 -0.105 1
1 789 . 10 1 1 A 74 74 ILE CA C 74 63.902 65.187 -1.285 1
1 790 . 10 1 1 A 74 74 ILE CB C 74 37.010 36.751 0.259 1
1 794 . 10 1 1 A 74 74 ILE N N 74 119.834 118.966 0.868 1
1 795 . 10 1 1 A 75 75 ASP H H 75 8.468 8.414 0.054 1
1 796 . 10 1 1 A 75 75 ASP HA H 75 4.282 4.465 -0.183 1
1 799 . 10 1 1 A 75 75 ASP CA C 75 58.107 57.462 0.645 1
1 800 . 10 1 1 A 75 75 ASP CB C 75 40.628 40.810 -0.182 1
1 801 . 10 1 1 A 75 75 ASP N N 75 122.091 121.881 0.210 1
1 802 . 10 1 1 A 76 76 GLY H H 76 8.041 8.183 -0.142 1
1 803 . 10 1 1 A 76 76 GLY HA2 H 76 3.845 3.785 0.060 1
1 804 . 10 1 1 A 76 76 GLY HA3 H 76 3.863 3.789 0.074 1
1 805 . 10 1 1 A 76 76 GLY CA C 76 46.668 46.832 -0.164 1
1 806 . 10 1 1 A 76 76 GLY N N 76 108.081 107.911 0.170 1
1 807 . 10 1 1 A 77 77 LEU H H 77 8.088 7.881 0.207 1
1 808 . 10 1 1 A 77 77 LEU HA H 77 3.709 4.219 -0.510 1
1 818 . 10 1 1 A 77 77 LEU CA C 77 57.865 57.372 0.493 1
1 819 . 10 1 1 A 77 77 LEU CB C 77 41.828 41.738 0.090 1
1 823 . 10 1 1 A 77 77 LEU N N 77 126.711 123.171 3.540 1
1 824 . 10 1 1 A 78 78 ILE H H 78 8.155 8.313 -0.158 1
1 825 . 10 1 1 A 78 78 ILE HA H 78 3.316 3.778 -0.462 1
1 835 . 10 1 1 A 78 78 ILE CA C 78 62.813 62.678 0.135 1
1 836 . 10 1 1 A 78 78 ILE CB C 78 34.810 37.727 -2.917 1
1 840 . 10 1 1 A 78 78 ILE N N 78 120.409 119.153 1.256 1
1 841 . 10 1 1 A 79 79 ASP H H 79 7.408 7.680 -0.272 1
1 842 . 10 1 1 A 79 79 ASP HA H 79 4.274 4.443 -0.169 1
1 845 . 10 1 1 A 79 79 ASP CA C 79 57.605 56.394 1.211 1
1 846 . 10 1 1 A 79 79 ASP CB C 79 41.017 40.975 0.042 1
1 847 . 10 1 1 A 79 79 ASP N N 79 120.497 122.494 -1.997 1
1 848 . 10 1 1 A 80 80 LYS H H 80 7.536 7.814 -0.278 1
1 849 . 10 1 1 A 80 80 LYS HA H 80 3.931 4.032 -0.101 1
1 858 . 10 1 1 A 80 80 LYS CA C 80 59.952 59.459 0.493 1
1 859 . 10 1 1 A 80 80 LYS CB C 80 33.221 32.173 1.048 1
1 863 . 10 1 1 A 80 80 LYS N N 80 119.684 118.549 1.135 1
1 864 . 10 1 1 A 81 81 LEU H H 81 8.473 7.748 0.725 1
1 865 . 10 1 1 A 81 81 LEU HA H 81 3.765 3.970 -0.205 1
1 875 . 10 1 1 A 81 81 LEU CA C 81 57.564 57.714 -0.150 1
1 876 . 10 1 1 A 81 81 LEU CB C 81 42.473 41.743 0.730 1
1 880 . 10 1 1 A 81 81 LEU N N 81 121.519 120.315 1.204 1
1 881 . 10 1 1 A 82 82 ALA H H 82 8.682 8.155 0.527 1
1 882 . 10 1 1 A 82 82 ALA HA H 82 3.479 4.174 -0.695 1
1 886 . 10 1 1 A 82 82 ALA CA C 82 55.731 55.826 -0.095 1
1 887 . 10 1 1 A 82 82 ALA CB C 82 17.388 18.519 -1.131 1
1 888 . 10 1 1 A 82 82 ALA N N 82 123.814 121.413 2.401 1
1 889 . 10 1 1 A 83 83 ARG H H 83 7.329 7.861 -0.532 1
1 890 . 10 1 1 A 83 83 ARG HA H 83 3.981 4.107 -0.126 1
1 897 . 10 1 1 A 83 83 ARG CA C 83 59.137 59.738 -0.601 1
1 898 . 10 1 1 A 83 83 ARG CB C 83 29.971 30.104 -0.133 1
1 901 . 10 1 1 A 83 83 ARG N N 83 118.219 117.966 0.253 1
1 902 . 10 1 1 A 84 84 GLN H H 84 7.750 7.561 0.189 1
1 903 . 10 1 1 A 84 84 GLN HA H 84 4.047 4.097 -0.050 1
1 906 . 10 1 1 A 84 84 GLN CA C 84 58.685 58.423 0.262 1
1 907 . 10 1 1 A 84 84 GLN CB C 84 29.903 28.339 1.564 1
1 909 . 10 1 1 A 84 84 GLN N N 84 119.887 118.839 1.048 1
1 910 . 10 1 1 A 85 85 LEU H H 85 8.610 8.395 0.215 1
1 911 . 10 1 1 A 85 85 LEU HA H 85 3.788 3.852 -0.064 1
1 920 . 10 1 1 A 85 85 LEU CA C 85 57.600 57.632 -0.032 1
1 921 . 10 1 1 A 85 85 LEU CB C 85 41.178 40.880 0.298 1
1 925 . 10 1 1 A 85 85 LEU N N 85 122.951 120.043 2.908 1
1 926 . 10 1 1 A 86 86 THR H H 86 7.709 8.536 -0.827 1
1 927 . 10 1 1 A 86 86 THR HA H 86 4.056 4.177 -0.121 1
1 932 . 10 1 1 A 86 86 THR CA C 86 65.924 67.243 -1.319 1
1 933 . 10 1 1 A 86 86 THR CB C 86 68.870 68.260 0.610 1
1 935 . 10 1 1 A 86 86 THR N N 86 116.282 116.115 0.167 1
1 936 . 10 1 1 A 87 87 LYS H H 87 7.457 7.909 -0.452 1
1 937 . 10 1 1 A 87 87 LYS HA H 87 4.102 4.038 0.064 1
1 946 . 10 1 1 A 87 87 LYS CA C 87 58.289 59.490 -1.201 1
1 947 . 10 1 1 A 87 87 LYS CB C 87 32.293 32.414 -0.121 1
1 951 . 10 1 1 A 87 87 LYS N N 87 122.670 121.278 1.392 1
1 952 . 10 1 1 A 88 88 HIS H H 88 7.928 8.007 -0.079 1
1 953 . 10 1 1 A 88 88 HIS HA H 88 4.301 4.458 -0.157 1
1 957 . 10 1 1 A 88 88 HIS CA C 88 58.361 58.436 -0.075 1
1 958 . 10 1 1 A 88 88 HIS CB C 88 30.766 28.318 2.448 1
1 960 . 10 1 1 A 88 88 HIS N N 88 121.382 117.235 4.147 1
1 961 . 10 1 1 A 89 89 LYS H H 89 7.928 8.096 -0.168 1
1 962 . 10 1 1 A 89 89 LYS HA H 89 3.934 4.061 -0.127 1
1 971 . 10 1 1 A 89 89 LYS CA C 89 58.568 58.815 -0.247 1
1 972 . 10 1 1 A 89 89 LYS CB C 89 32.489 32.156 0.333 1
1 976 . 10 1 1 A 89 89 LYS N N 89 121.821 122.713 -0.892 1
1 977 . 10 1 1 A 90 90 ASP H H 90 8.143 7.852 0.291 1
1 978 . 10 1 1 A 90 90 ASP HA H 90 4.445 4.407 0.038 1
1 981 . 10 1 1 A 90 90 ASP CA C 90 55.869 57.026 -1.157 1
1 982 . 10 1 1 A 90 90 ASP CB C 90 40.715 40.597 0.118 1
1 983 . 10 1 1 A 90 90 ASP N N 90 121.199 119.194 2.005 1
1 984 . 10 1 1 A 91 91 LYS H H 91 7.867 7.607 0.260 1
1 985 . 10 1 1 A 91 91 LYS HA H 91 4.130 4.101 0.029 1
1 994 . 10 1 1 A 91 91 LYS CA C 91 57.421 58.690 -1.269 1
1 995 . 10 1 1 A 91 91 LYS CB C 91 32.365 32.459 -0.094 1
1 999 . 10 1 1 A 91 91 LYS N N 91 121.976 117.936 4.040 1
1 1000 . 10 1 1 A 92 92 LEU H H 92 7.709 7.879 -0.170 1
1 1001 . 10 1 1 A 92 92 LEU HA H 92 4.171 4.544 -0.373 1
1 1011 . 10 1 1 A 92 92 LEU CA C 92 55.449 54.231 1.218 1
1 1012 . 10 1 1 A 92 92 LEU CB C 92 41.871 42.900 -1.029 1
1 1016 . 10 1 1 A 92 92 LEU N N 92 121.802 118.572 3.230 1
1 1017 . 10 1 1 A 93 93 LYS H H 93 7.751 8.472 -0.721 1
1 1018 . 10 1 1 A 93 93 LYS HA H 93 4.197 4.549 -0.352 1
1 1027 . 10 1 1 A 93 93 LYS CA C 93 56.420 56.781 -0.361 1
1 1028 . 10 1 1 A 93 93 LYS CB C 93 32.792 35.279 -2.487 1
1 1032 . 10 1 1 A 93 93 LYS N N 93 121.954 123.621 -1.667 1
1 1033 . 10 1 1 A 94 94 GLN H H 94 8.129 7.496 0.633 1
1 1034 . 10 1 1 A 94 94 GLN HA H 94 4.208 4.318 -0.110 1
1 1039 . 10 1 1 A 94 94 GLN CA C 94 55.891 56.387 -0.496 1
1 1040 . 10 1 1 A 94 94 GLN CB C 94 29.236 29.064 0.172 1
1 1042 . 10 1 1 A 94 94 GLN N N 94 123.165 117.516 5.649 1
1 1 . 11 1 1 A 2 2 GLN H H 2 7.809 7.585 0.224 1
1 2 . 11 1 1 A 2 2 GLN HA H 2 4.394 4.869 -0.475 1
1 7 . 11 1 1 A 2 2 GLN CA C 2 55.124 54.427 0.697 1
1 8 . 11 1 1 A 2 2 GLN CB C 2 30.385 30.484 -0.099 1
1 10 . 11 1 1 A 2 2 GLN N N 2 126.586 118.003 8.583 1
1 11 . 11 1 1 A 3 3 LEU H H 3 8.598 8.926 -0.328 1
1 12 . 11 1 1 A 3 3 LEU HA H 3 4.380 5.278 -0.898 1
1 22 . 11 1 1 A 3 3 LEU CA C 3 54.590 52.513 2.077 1
1 23 . 11 1 1 A 3 3 LEU CB C 3 43.701 45.563 -1.862 1
1 27 . 11 1 1 A 3 3 LEU N N 3 128.942 122.495 6.447 1
1 28 . 11 1 1 A 4 4 ASN H H 4 8.227 8.757 -0.530 1
1 29 . 11 1 1 A 4 4 ASN HA H 4 4.864 5.325 -0.461 1
1 32 . 11 1 1 A 4 4 ASN CA C 4 52.628 51.729 0.899 1
1 33 . 11 1 1 A 4 4 ASN CB C 4 41.258 43.119 -1.861 1
1 34 . 11 1 1 A 4 4 ASN N N 4 127.137 117.407 9.730 1
1 35 . 11 1 1 A 5 5 ILE H H 5 8.659 8.545 0.114 1
1 36 . 11 1 1 A 5 5 ILE HA H 5 4.901 5.109 -0.208 1
1 46 . 11 1 1 A 5 5 ILE CA C 5 60.288 59.628 0.660 1
1 47 . 11 1 1 A 5 5 ILE CB C 5 40.902 40.997 -0.095 1
1 51 . 11 1 1 A 5 5 ILE N N 5 126.355 120.584 5.771 1
1 52 . 11 1 1 A 6 6 THR H H 6 8.796 8.724 0.072 1
1 53 . 11 1 1 A 6 6 THR HA H 6 4.654 4.813 -0.159 1
1 58 . 11 1 1 A 6 6 THR CA C 6 60.751 61.207 -0.456 1
1 59 . 11 1 1 A 6 6 THR CB C 6 71.993 71.425 0.568 1
1 61 . 11 1 1 A 6 6 THR N N 6 123.546 122.008 1.538 1
1 62 . 11 1 1 A 7 7 GLY H H 7 8.833 9.121 -0.288 1
1 63 . 11 1 1 A 7 7 GLY HA2 H 7 3.764 4.252 -0.488 1
1 64 . 11 1 1 A 7 7 GLY HA3 H 7 5.071 4.258 0.813 1
1 65 . 11 1 1 A 7 7 GLY CA C 7 44.318 44.536 -0.218 1
1 66 . 11 1 1 A 7 7 GLY N N 7 112.240 114.288 -2.048 1
1 67 . 11 1 1 A 8 8 ASN H H 8 8.962 8.683 0.279 1
1 68 . 11 1 1 A 8 8 ASN HA H 8 4.828 5.010 -0.182 1
1 71 . 11 1 1 A 8 8 ASN CA C 8 52.799 52.433 0.366 1
1 72 . 11 1 1 A 8 8 ASN CB C 8 39.244 38.424 0.820 1
1 73 . 11 1 1 A 8 8 ASN N N 8 124.384 120.058 4.326 1
1 74 . 11 1 1 A 9 9 ASN H H 9 8.756 9.045 -0.289 1
1 75 . 11 1 1 A 9 9 ASN HA H 9 4.248 4.317 -0.069 1
1 78 . 11 1 1 A 9 9 ASN CA C 9 53.998 54.167 -0.169 1
1 79 . 11 1 1 A 9 9 ASN CB C 9 37.231 37.442 -0.211 1
1 80 . 11 1 1 A 9 9 ASN N N 9 120.082 118.169 1.913 1
1 81 . 11 1 1 A 10 10 VAL H H 10 6.825 7.433 -0.608 1
1 82 . 11 1 1 A 10 10 VAL HA H 10 4.097 4.642 -0.545 1
1 90 . 11 1 1 A 10 10 VAL CA C 10 60.425 60.704 -0.279 1
1 91 . 11 1 1 A 10 10 VAL CB C 10 34.765 35.831 -1.066 1
1 94 . 11 1 1 A 10 10 VAL N N 10 115.342 117.725 -2.383 1
1 95 . 11 1 1 A 11 11 GLU H H 11 8.347 8.692 -0.345 1
1 96 . 11 1 1 A 11 11 GLU HA H 11 4.174 4.749 -0.575 1
1 101 . 11 1 1 A 11 11 GLU CA C 11 55.442 55.787 -0.345 1
1 102 . 11 1 1 A 11 11 GLU CB C 11 30.114 30.998 -0.884 1
1 104 . 11 1 1 A 11 11 GLU N N 11 129.115 127.217 1.898 1
1 105 . 11 1 1 A 12 12 ILE H H 12 8.942 8.580 0.362 1
1 106 . 11 1 1 A 12 12 ILE HA H 12 4.034 4.214 -0.180 1
1 116 . 11 1 1 A 12 12 ILE CA C 12 58.894 61.744 -2.850 1
1 117 . 11 1 1 A 12 12 ILE CB C 12 33.240 36.920 -3.680 1
1 121 . 11 1 1 A 12 12 ILE N N 12 128.622 126.786 1.836 1
1 122 . 11 1 1 A 13 13 THR H H 13 6.818 8.113 -1.295 1
1 123 . 11 1 1 A 13 13 THR HA H 13 4.429 4.948 -0.519 1
1 128 . 11 1 1 A 13 13 THR CA C 13 60.052 59.054 0.998 1
1 129 . 11 1 1 A 13 13 THR CB C 13 70.842 71.649 -0.807 1
1 131 . 11 1 1 A 13 13 THR N N 13 119.687 118.106 1.581 1
1 132 . 11 1 1 A 14 14 GLU H H 14 8.969 9.115 -0.146 1
1 133 . 11 1 1 A 14 14 GLU HA H 14 4.024 3.938 0.086 1
1 138 . 11 1 1 A 14 14 GLU CA C 14 59.794 60.282 -0.488 1
1 139 . 11 1 1 A 14 14 GLU CB C 14 28.845 29.693 -0.848 1
1 141 . 11 1 1 A 14 14 GLU N N 14 123.290 122.319 0.971 1
1 142 . 11 1 1 A 15 15 ALA H H 15 8.334 7.842 0.492 1
1 143 . 11 1 1 A 15 15 ALA HA H 15 4.151 4.234 -0.083 1
1 147 . 11 1 1 A 15 15 ALA CA C 15 55.076 55.386 -0.310 1
1 148 . 11 1 1 A 15 15 ALA CB C 15 18.008 18.324 -0.316 1
1 149 . 11 1 1 A 15 15 ALA N N 15 121.958 121.276 0.682 1
1 150 . 11 1 1 A 16 16 LEU H H 16 7.765 8.219 -0.454 1
1 151 . 11 1 1 A 16 16 LEU HA H 16 4.240 4.645 -0.405 1
1 161 . 11 1 1 A 16 16 LEU CA C 16 57.674 58.236 -0.562 1
1 162 . 11 1 1 A 16 16 LEU CB C 16 42.122 41.895 0.227 1
1 166 . 11 1 1 A 16 16 LEU N N 16 123.064 119.994 3.070 1
1 167 . 11 1 1 A 17 17 ARG H H 17 8.627 8.376 0.251 1
1 168 . 11 1 1 A 17 17 ARG HA H 17 3.595 3.882 -0.287 1
1 175 . 11 1 1 A 17 17 ARG CA C 17 60.573 58.944 1.629 1
1 176 . 11 1 1 A 17 17 ARG CB C 17 29.679 29.836 -0.157 1
1 179 . 11 1 1 A 17 17 ARG N N 17 121.878 118.235 3.643 1
1 180 . 11 1 1 A 18 18 GLU H H 18 8.665 8.626 0.039 1
1 181 . 11 1 1 A 18 18 GLU HA H 18 3.952 4.030 -0.078 1
1 186 . 11 1 1 A 18 18 GLU CA C 18 59.654 59.264 0.390 1
1 187 . 11 1 1 A 18 18 GLU CB C 18 29.301 29.430 -0.129 1
1 189 . 11 1 1 A 18 18 GLU N N 18 123.257 119.524 3.733 1
1 190 . 11 1 1 A 19 19 PHE H H 19 8.026 8.718 -0.692 1
1 191 . 11 1 1 A 19 19 PHE HA H 19 4.258 4.260 -0.002 1
1 195 . 11 1 1 A 19 19 PHE CA C 19 61.640 60.545 1.095 1
1 196 . 11 1 1 A 19 19 PHE CB C 19 39.547 38.611 0.936 1
1 198 . 11 1 1 A 19 19 PHE N N 19 123.888 119.021 4.867 1
1 199 . 11 1 1 A 20 20 VAL H H 20 8.734 7.069 1.665 1
1 200 . 11 1 1 A 20 20 VAL HA H 20 3.336 3.450 -0.114 1
1 208 . 11 1 1 A 20 20 VAL CA C 20 67.245 66.173 1.072 1
1 209 . 11 1 1 A 20 20 VAL CB C 20 31.965 31.422 0.543 1
1 212 . 11 1 1 A 20 20 VAL N N 20 119.762 119.641 0.121 1
1 213 . 11 1 1 A 21 21 THR H H 21 8.213 8.259 -0.046 1
1 214 . 11 1 1 A 21 21 THR HA H 21 3.615 4.034 -0.419 1
1 218 . 11 1 1 A 21 21 THR CA C 21 67.657 66.221 1.436 1
1 219 . 11 1 1 A 21 21 THR CB C 21 68.697 68.224 0.473 1
1 221 . 11 1 1 A 21 21 THR N N 21 117.446 115.156 2.290 1
1 222 . 11 1 1 A 22 22 ALA H H 22 8.050 8.542 -0.492 1
1 223 . 11 1 1 A 22 22 ALA HA H 22 4.084 4.006 0.078 1
1 227 . 11 1 1 A 22 22 ALA CA C 22 54.998 55.664 -0.666 1
1 228 . 11 1 1 A 22 22 ALA CB C 22 17.880 18.350 -0.470 1
1 229 . 11 1 1 A 22 22 ALA N N 22 125.291 123.080 2.211 1
1 230 . 11 1 1 A 23 23 LYS H H 23 7.868 7.736 0.132 1
1 231 . 11 1 1 A 23 23 LYS HA H 23 3.886 4.076 -0.190 1
1 240 . 11 1 1 A 23 23 LYS CA C 23 57.286 58.422 -1.136 1
1 241 . 11 1 1 A 23 23 LYS CB C 23 30.651 32.681 -2.030 1
1 245 . 11 1 1 A 23 23 LYS N N 23 119.332 117.634 1.698 1
1 246 . 11 1 1 A 24 24 PHE H H 24 8.369 8.075 0.294 1
1 247 . 11 1 1 A 24 24 PHE HA H 24 3.805 4.257 -0.452 1
1 252 . 11 1 1 A 24 24 PHE CA C 24 62.055 61.229 0.826 1
1 253 . 11 1 1 A 24 24 PHE CB C 24 38.744 37.877 0.867 1
1 256 . 11 1 1 A 24 24 PHE N N 24 119.142 118.122 1.020 1
1 257 . 11 1 1 A 25 25 ALA H H 25 7.879 7.894 -0.015 1
1 258 . 11 1 1 A 25 25 ALA HA H 25 4.140 4.160 -0.020 1
1 262 . 11 1 1 A 25 25 ALA CA C 25 55.014 55.043 -0.029 1
1 263 . 11 1 1 A 25 25 ALA CB C 25 17.773 18.895 -1.122 1
1 264 . 11 1 1 A 25 25 ALA N N 25 123.500 122.492 1.008 1
1 265 . 11 1 1 A 26 26 LYS H H 26 7.217 7.449 -0.232 1
1 266 . 11 1 1 A 26 26 LYS HA H 26 4.024 3.953 0.071 1
1 275 . 11 1 1 A 26 26 LYS CA C 26 58.189 58.357 -0.168 1
1 276 . 11 1 1 A 26 26 LYS CB C 26 32.033 32.077 -0.044 1
1 280 . 11 1 1 A 26 26 LYS N N 26 118.541 118.739 -0.198 1
1 281 . 11 1 1 A 27 27 LEU H H 27 7.773 7.400 0.373 1
1 282 . 11 1 1 A 27 27 LEU HA H 27 4.257 3.198 1.059 1
1 292 . 11 1 1 A 27 27 LEU CA C 27 55.889 56.298 -0.409 1
1 293 . 11 1 1 A 27 27 LEU CB C 27 41.083 41.613 -0.530 1
1 297 . 11 1 1 A 27 27 LEU N N 27 118.340 118.982 -0.642 1
1 298 . 11 1 1 A 28 28 GLU H H 28 7.296 7.943 -0.647 1
1 299 . 11 1 1 A 28 28 GLU HA H 28 3.489 4.188 -0.699 1
1 304 . 11 1 1 A 28 28 GLU CA C 28 58.336 58.983 -0.647 1
1 305 . 11 1 1 A 28 28 GLU CB C 28 29.265 29.396 -0.131 1
1 307 . 11 1 1 A 28 28 GLU N N 28 119.557 119.182 0.375 1
1 308 . 11 1 1 A 29 29 GLN H H 29 7.783 7.639 0.144 1
1 309 . 11 1 1 A 29 29 GLN HA H 29 3.923 3.967 -0.044 1
1 314 . 11 1 1 A 29 29 GLN CA C 29 57.387 58.223 -0.836 1
1 315 . 11 1 1 A 29 29 GLN CB C 29 28.082 28.674 -0.592 1
1 317 . 11 1 1 A 29 29 GLN N N 29 117.927 119.875 -1.948 1
1 318 . 11 1 1 A 30 30 TYR H H 30 7.731 6.966 0.765 1
1 319 . 11 1 1 A 30 30 TYR HA H 30 4.433 4.442 -0.009 1
1 324 . 11 1 1 A 30 30 TYR CA C 30 58.371 57.752 0.619 1
1 325 . 11 1 1 A 30 30 TYR CB C 30 39.297 38.526 0.771 1
1 328 . 11 1 1 A 30 30 TYR N N 30 118.639 118.524 0.115 1
1 329 . 11 1 1 A 31 31 PHE H H 31 7.652 7.681 -0.029 1
1 330 . 11 1 1 A 31 31 PHE HA H 31 4.605 4.764 -0.159 1
1 334 . 11 1 1 A 31 31 PHE CA C 31 58.507 57.988 0.519 1
1 335 . 11 1 1 A 31 31 PHE CB C 31 40.438 39.697 0.741 1
1 337 . 11 1 1 A 31 31 PHE N N 31 119.753 119.897 -0.144 1
1 338 . 11 1 1 A 32 32 ASP H H 32 8.087 8.767 -0.680 1
1 339 . 11 1 1 A 32 32 ASP HA H 32 4.465 4.901 -0.436 1
1 342 . 11 1 1 A 32 32 ASP CA C 32 55.094 55.147 -0.053 1
1 343 . 11 1 1 A 32 32 ASP CB C 32 40.511 42.299 -1.788 1
1 344 . 11 1 1 A 32 32 ASP N N 32 121.865 124.013 -2.148 1
1 345 . 11 1 1 A 33 33 ARG H H 33 7.083 7.909 -0.826 1
1 346 . 11 1 1 A 33 33 ARG HA H 33 4.412 4.495 -0.083 1
1 353 . 11 1 1 A 33 33 ARG CA C 33 55.082 55.696 -0.614 1
1 354 . 11 1 1 A 33 33 ARG CB C 33 30.409 28.582 1.827 1
1 357 . 11 1 1 A 33 33 ARG N N 33 119.603 116.462 3.141 1
1 358 . 11 1 1 A 34 34 ILE H H 34 8.139 8.425 -0.286 1
1 359 . 11 1 1 A 34 34 ILE HA H 34 4.051 4.781 -0.730 1
1 369 . 11 1 1 A 34 34 ILE CA C 34 61.543 60.787 0.756 1
1 370 . 11 1 1 A 34 34 ILE CB C 34 39.510 40.705 -1.195 1
1 374 . 11 1 1 A 34 34 ILE N N 34 123.576 123.913 -0.337 1
1 375 . 11 1 1 A 35 35 ASN H H 35 8.560 8.827 -0.267 1
1 376 . 11 1 1 A 35 35 ASN HA H 35 4.870 4.920 -0.050 1
1 379 . 11 1 1 A 35 35 ASN CA C 35 53.877 53.950 -0.073 1
1 380 . 11 1 1 A 35 35 ASN CB C 35 38.806 39.683 -0.877 1
1 381 . 11 1 1 A 35 35 ASN N N 35 126.934 121.184 5.750 1
1 382 . 11 1 1 A 36 36 GLN H H 36 7.843 7.837 0.006 1
1 383 . 11 1 1 A 36 36 GLN HA H 36 4.519 5.291 -0.772 1
1 388 . 11 1 1 A 36 36 GLN CA C 36 56.345 54.263 2.082 1
1 389 . 11 1 1 A 36 36 GLN CB C 36 31.240 31.051 0.189 1
1 391 . 11 1 1 A 36 36 GLN N N 36 120.673 118.012 2.661 1
1 392 . 11 1 1 A 37 37 VAL H H 37 8.330 8.555 -0.225 1
1 393 . 11 1 1 A 37 37 VAL HA H 37 4.693 4.804 -0.111 1
1 401 . 11 1 1 A 37 37 VAL CA C 37 60.789 61.227 -0.438 1
1 402 . 11 1 1 A 37 37 VAL CB C 37 34.740 34.848 -0.108 1
1 405 . 11 1 1 A 37 37 VAL N N 37 123.403 126.262 -2.859 1
1 406 . 11 1 1 A 38 38 TYR H H 38 8.943 8.017 0.926 1
1 407 . 11 1 1 A 38 38 TYR HA H 38 5.039 5.863 -0.824 1
1 412 . 11 1 1 A 38 38 TYR CA C 38 57.028 55.339 1.689 1
1 413 . 11 1 1 A 38 38 TYR CB C 38 39.705 41.931 -2.226 1
1 416 . 11 1 1 A 38 38 TYR N N 38 129.202 123.293 5.909 1
1 417 . 11 1 1 A 39 39 VAL H H 39 9.053 8.528 0.525 1
1 418 . 11 1 1 A 39 39 VAL HA H 39 5.048 5.157 -0.109 1
1 426 . 11 1 1 A 39 39 VAL CA C 39 60.685 60.770 -0.085 1
1 427 . 11 1 1 A 39 39 VAL CB C 39 34.107 35.076 -0.969 1
1 430 . 11 1 1 A 39 39 VAL N N 39 127.771 123.475 4.296 1
1 431 . 11 1 1 A 40 40 VAL H H 40 9.276 8.863 0.413 1
1 432 . 11 1 1 A 40 40 VAL HA H 40 4.862 5.238 -0.376 1
1 440 . 11 1 1 A 40 40 VAL CA C 40 60.896 61.108 -0.212 1
1 441 . 11 1 1 A 40 40 VAL CB C 40 34.411 35.563 -1.152 1
1 444 . 11 1 1 A 40 40 VAL N N 40 130.939 126.270 4.669 1
1 445 . 11 1 1 A 41 41 LEU H H 41 8.714 8.884 -0.170 1
1 446 . 11 1 1 A 41 41 LEU HA H 41 5.111 5.538 -0.427 1
1 456 . 11 1 1 A 41 41 LEU CA C 41 53.150 52.945 0.205 1
1 457 . 11 1 1 A 41 41 LEU CB C 41 42.538 45.285 -2.747 1
1 461 . 11 1 1 A 41 41 LEU N N 41 130.200 125.740 4.460 1
1 462 . 11 1 1 A 42 42 LYS H H 42 8.955 9.816 -0.861 1
1 463 . 11 1 1 A 42 42 LYS HA H 42 5.180 5.493 -0.313 1
1 472 . 11 1 1 A 42 42 LYS CA C 42 55.017 54.754 0.263 1
1 473 . 11 1 1 A 42 42 LYS CB C 42 36.649 34.759 1.890 1
1 477 . 11 1 1 A 42 42 LYS N N 42 124.155 122.989 1.166 1
1 478 . 11 1 1 A 43 43 VAL H H 43 7.515 8.669 -1.154 1
1 479 . 11 1 1 A 43 43 VAL HA H 43 4.360 4.493 -0.133 1
1 487 . 11 1 1 A 43 43 VAL CA C 43 61.230 61.074 0.156 1
1 488 . 11 1 1 A 43 43 VAL CB C 43 33.656 33.353 0.303 1
1 491 . 11 1 1 A 43 43 VAL N N 43 124.332 125.297 -0.965 1
1 492 . 11 1 1 A 44 44 GLU H H 44 8.092 8.349 -0.257 1
1 493 . 11 1 1 A 44 44 GLU HA H 44 4.368 4.823 -0.455 1
1 498 . 11 1 1 A 44 44 GLU CA C 44 55.445 54.364 1.081 1
1 499 . 11 1 1 A 44 44 GLU CB C 44 31.404 33.326 -1.922 1
1 501 . 11 1 1 A 44 44 GLU N N 44 130.594 124.880 5.714 1
1 502 . 11 1 1 A 45 45 LYS H H 45 8.982 8.696 0.286 1
1 503 . 11 1 1 A 45 45 LYS HA H 45 3.695 3.931 -0.236 1
1 512 . 11 1 1 A 45 45 LYS CA C 45 59.588 58.768 0.820 1
1 513 . 11 1 1 A 45 45 LYS CB C 45 30.077 32.265 -2.188 1
1 517 . 11 1 1 A 45 45 LYS N N 45 125.587 120.986 4.601 1
1 518 . 11 1 1 A 46 46 VAL H H 46 7.710 7.397 0.313 1
1 519 . 11 1 1 A 46 46 VAL HA H 46 4.346 4.158 0.188 1
1 527 . 11 1 1 A 46 46 VAL CA C 46 61.342 63.789 -2.447 1
1 528 . 11 1 1 A 46 46 VAL CB C 46 31.917 32.007 -0.090 1
1 531 . 11 1 1 A 46 46 VAL N N 46 115.763 113.756 2.007 1
1 532 . 11 1 1 A 47 47 THR H H 47 8.151 7.799 0.352 1
1 533 . 11 1 1 A 47 47 THR HA H 47 4.397 5.278 -0.881 1
1 538 . 11 1 1 A 47 47 THR CA C 47 63.072 61.130 1.942 1
1 539 . 11 1 1 A 47 47 THR CB C 47 69.615 72.188 -2.573 1
1 541 . 11 1 1 A 47 47 THR N N 47 120.888 113.571 7.317 1
1 542 . 11 1 1 A 48 48 HIS H H 48 8.753 9.165 -0.412 1
1 543 . 11 1 1 A 48 48 HIS HA H 48 4.826 5.193 -0.367 1
1 547 . 11 1 1 A 48 48 HIS CA C 48 55.978 55.109 0.869 1
1 548 . 11 1 1 A 48 48 HIS CB C 48 30.476 31.212 -0.736 1
1 550 . 11 1 1 A 48 48 HIS N N 48 130.755 123.055 7.700 1
1 551 . 11 1 1 A 49 49 THR H H 49 9.136 8.414 0.722 1
1 552 . 11 1 1 A 49 49 THR HA H 49 5.245 5.181 0.064 1
1 557 . 11 1 1 A 49 49 THR CA C 49 60.941 61.180 -0.239 1
1 558 . 11 1 1 A 49 49 THR CB C 49 71.411 71.617 -0.206 1
1 560 . 11 1 1 A 49 49 THR N N 49 118.522 116.971 1.551 1
1 561 . 11 1 1 A 50 50 SER H H 50 9.050 9.172 -0.122 1
1 562 . 11 1 1 A 50 50 SER HA H 50 5.348 5.585 -0.237 1
1 565 . 11 1 1 A 50 50 SER CA C 50 55.645 56.614 -0.969 1
1 566 . 11 1 1 A 50 50 SER CB C 50 66.579 66.612 -0.033 1
1 567 . 11 1 1 A 50 50 SER N N 50 119.749 120.705 -0.956 1
1 568 . 11 1 1 A 51 51 ASP H H 51 8.843 9.538 -0.695 1
1 569 . 11 1 1 A 51 51 ASP HA H 51 5.363 5.732 -0.369 1
1 572 . 11 1 1 A 51 51 ASP CA C 51 52.879 52.333 0.546 1
1 573 . 11 1 1 A 51 51 ASP CB C 51 45.173 45.053 0.120 1
1 574 . 11 1 1 A 51 51 ASP N N 51 126.330 120.838 5.492 1
1 575 . 11 1 1 A 52 52 ALA H H 52 8.938 9.062 -0.124 1
1 576 . 11 1 1 A 52 52 ALA HA H 52 5.777 5.094 0.683 1
1 580 . 11 1 1 A 52 52 ALA CA C 52 50.806 51.425 -0.619 1
1 581 . 11 1 1 A 52 52 ALA CB C 52 24.676 21.269 3.407 1
1 582 . 11 1 1 A 52 52 ALA N N 52 122.789 122.287 0.502 1
1 583 . 11 1 1 A 53 53 THR H H 53 8.666 8.450 0.216 1
1 584 . 11 1 1 A 53 53 THR HA H 53 4.979 4.857 0.122 1
1 589 . 11 1 1 A 53 53 THR CA C 53 62.026 61.458 0.568 1
1 590 . 11 1 1 A 53 53 THR CB C 53 70.850 68.978 1.872 1
1 592 . 11 1 1 A 53 53 THR N N 53 118.344 118.279 0.065 1
1 593 . 11 1 1 A 54 54 LEU H H 54 9.662 8.767 0.895 1
1 594 . 11 1 1 A 54 54 LEU HA H 54 4.921 4.962 -0.041 1
1 604 . 11 1 1 A 54 54 LEU CA C 54 53.923 53.852 0.071 1
1 605 . 11 1 1 A 54 54 LEU CB C 54 43.782 44.313 -0.531 1
1 609 . 11 1 1 A 54 54 LEU N N 54 129.166 127.595 1.571 1
1 610 . 11 1 1 A 55 55 HIS H H 55 8.956 9.094 -0.138 1
1 611 . 11 1 1 A 55 55 HIS HA H 55 4.882 5.146 -0.264 1
1 615 . 11 1 1 A 55 55 HIS CA C 55 56.326 55.303 1.023 1
1 616 . 11 1 1 A 55 55 HIS CB C 55 30.431 31.180 -0.749 1
1 618 . 11 1 1 A 55 55 HIS N N 55 126.094 122.004 4.090 1
1 619 . 11 1 1 A 56 56 VAL H H 56 8.151 9.003 -0.852 1
1 620 . 11 1 1 A 56 56 VAL HA H 56 4.856 4.536 0.320 1
1 628 . 11 1 1 A 56 56 VAL CA C 56 58.734 59.862 -1.128 1
1 629 . 11 1 1 A 56 56 VAL CB C 56 34.523 32.988 1.535 1
1 632 . 11 1 1 A 56 56 VAL N N 56 120.242 122.940 -2.698 1
1 633 . 11 1 1 A 57 57 ASN H H 57 8.970 8.846 0.124 1
1 634 . 11 1 1 A 57 57 ASN HA H 57 4.463 4.448 0.015 1
1 637 . 11 1 1 A 57 57 ASN CA C 57 54.963 56.528 -1.565 1
1 638 . 11 1 1 A 57 57 ASN CB C 57 37.481 38.257 -0.776 1
1 639 . 11 1 1 A 57 57 ASN N N 57 124.652 122.508 2.144 1
1 640 . 11 1 1 A 58 58 GLY H H 58 8.868 7.986 0.882 1
1 641 . 11 1 1 A 58 58 GLY HA2 H 58 3.814 3.938 -0.124 1
1 642 . 11 1 1 A 58 58 GLY HA3 H 58 4.152 3.942 0.210 1
1 643 . 11 1 1 A 58 58 GLY CA C 58 45.606 45.542 0.064 1
1 644 . 11 1 1 A 58 58 GLY N N 58 112.816 106.756 6.060 1
1 645 . 11 1 1 A 59 59 GLY H H 59 7.848 7.494 0.354 1
1 646 . 11 1 1 A 59 59 GLY HA2 H 59 3.978 3.974 0.004 1
1 647 . 11 1 1 A 59 59 GLY HA3 H 59 4.153 4.003 0.150 1
1 648 . 11 1 1 A 59 59 GLY CA C 59 45.321 45.768 -0.447 1
1 649 . 11 1 1 A 59 59 GLY N N 59 109.857 107.817 2.040 1
1 650 . 11 1 1 A 60 60 GLU H H 60 8.262 8.694 -0.432 1
1 651 . 11 1 1 A 60 60 GLU HA H 60 5.110 4.948 0.162 1
1 656 . 11 1 1 A 60 60 GLU CA C 60 54.756 54.820 -0.064 1
1 657 . 11 1 1 A 60 60 GLU CB C 60 32.933 33.310 -0.377 1
1 659 . 11 1 1 A 60 60 GLU N N 60 121.732 119.405 2.327 1
1 660 . 11 1 1 A 61 61 ILE H H 61 8.764 8.771 -0.007 1
1 661 . 11 1 1 A 61 61 ILE HA H 61 4.286 4.823 -0.537 1
1 671 . 11 1 1 A 61 61 ILE CA C 61 59.713 60.105 -0.392 1
1 672 . 11 1 1 A 61 61 ILE CB C 61 41.194 39.876 1.318 1
1 676 . 11 1 1 A 61 61 ILE N N 61 124.817 124.170 0.647 1
1 677 . 11 1 1 A 62 62 HIS H H 62 8.907 8.900 0.007 1
1 678 . 11 1 1 A 62 62 HIS HA H 62 5.743 5.203 0.540 1
1 682 . 11 1 1 A 62 62 HIS CA C 62 54.009 53.578 0.431 1
1 683 . 11 1 1 A 62 62 HIS CB C 62 32.365 33.255 -0.890 1
1 685 . 11 1 1 A 62 62 HIS N N 62 127.338 126.904 0.434 1
1 686 . 11 1 1 A 63 63 ALA H H 63 8.298 9.043 -0.745 1
1 687 . 11 1 1 A 63 63 ALA HA H 63 4.480 5.444 -0.964 1
1 691 . 11 1 1 A 63 63 ALA CA C 63 51.764 49.990 1.774 1
1 692 . 11 1 1 A 63 63 ALA CB C 63 23.678 22.936 0.742 1
1 693 . 11 1 1 A 63 63 ALA N N 63 125.511 130.587 -5.076 1
1 694 . 11 1 1 A 64 64 SER H H 64 8.070 8.885 -0.815 1
1 695 . 11 1 1 A 64 64 SER HA H 64 5.286 5.456 -0.170 1
1 698 . 11 1 1 A 64 64 SER CA C 64 56.782 57.176 -0.394 1
1 699 . 11 1 1 A 64 64 SER CB C 64 65.895 65.870 0.025 1
1 700 . 11 1 1 A 64 64 SER N N 64 114.469 113.393 1.076 1
1 701 . 11 1 1 A 65 65 ALA H H 65 8.904 9.046 -0.142 1
1 702 . 11 1 1 A 65 65 ALA HA H 65 4.669 5.237 -0.568 1
1 706 . 11 1 1 A 65 65 ALA CA C 65 51.753 50.728 1.025 1
1 707 . 11 1 1 A 65 65 ALA CB C 65 22.599 24.404 -1.805 1
1 708 . 11 1 1 A 65 65 ALA N N 65 126.977 124.304 2.673 1
1 709 . 11 1 1 A 66 66 GLU H H 66 8.200 8.863 -0.663 1
1 710 . 11 1 1 A 66 66 GLU HA H 66 5.680 5.175 0.505 1
1 715 . 11 1 1 A 66 66 GLU CA C 66 53.650 54.860 -1.210 1
1 716 . 11 1 1 A 66 66 GLU CB C 66 33.741 34.042 -0.301 1
1 718 . 11 1 1 A 66 66 GLU N N 66 119.267 115.962 3.305 1
1 719 . 11 1 1 A 67 67 GLY H H 67 8.836 8.475 0.361 1
1 720 . 11 1 1 A 67 67 GLY HA2 H 67 4.490 4.127 0.363 1
1 721 . 11 1 1 A 67 67 GLY HA3 H 67 3.728 4.132 -0.404 1
1 722 . 11 1 1 A 67 67 GLY CA C 67 45.157 46.029 -0.872 1
1 723 . 11 1 1 A 67 67 GLY N N 67 108.048 107.751 0.297 1
1 724 . 11 1 1 A 68 68 GLN H H 68 8.997 7.824 1.173 1
1 725 . 11 1 1 A 68 68 GLN HA H 68 4.440 4.536 -0.096 1
1 730 . 11 1 1 A 68 68 GLN CA C 68 56.996 56.474 0.522 1
1 731 . 11 1 1 A 68 68 GLN CB C 68 28.694 32.055 -3.361 1
1 733 . 11 1 1 A 68 68 GLN N N 68 119.961 117.844 2.117 1
1 734 . 11 1 1 A 69 69 ASP H H 69 7.542 7.510 0.032 1
1 735 . 11 1 1 A 69 69 ASP HA H 69 3.242 3.598 -0.356 1
1 738 . 11 1 1 A 69 69 ASP CA C 69 51.838 52.227 -0.389 1
1 739 . 11 1 1 A 69 69 ASP CB C 69 42.829 42.531 0.298 1
1 740 . 11 1 1 A 69 69 ASP N N 69 115.279 115.629 -0.350 1
1 741 . 11 1 1 A 70 70 MET H H 70 8.409 8.620 -0.211 1
1 742 . 11 1 1 A 70 70 MET HA H 70 4.200 4.273 -0.073 1
1 747 . 11 1 1 A 70 70 MET CA C 70 56.505 58.222 -1.717 1
1 748 . 11 1 1 A 70 70 MET CB C 70 31.533 32.245 -0.712 1
1 750 . 11 1 1 A 70 70 MET N N 70 120.495 118.192 2.303 1
1 751 . 11 1 1 A 71 71 TYR H H 71 7.304 7.068 0.236 1
1 752 . 11 1 1 A 71 71 TYR HA H 71 3.832 4.013 -0.181 1
1 757 . 11 1 1 A 71 71 TYR CA C 71 60.141 60.420 -0.279 1
1 758 . 11 1 1 A 71 71 TYR CB C 71 35.788 38.825 -3.037 1
1 761 . 11 1 1 A 71 71 TYR N N 71 120.024 118.096 1.928 1
1 762 . 11 1 1 A 72 72 ALA H H 72 8.474 8.853 -0.379 1
1 763 . 11 1 1 A 72 72 ALA HA H 72 4.213 3.974 0.239 1
1 767 . 11 1 1 A 72 72 ALA CA C 72 54.526 55.164 -0.638 1
1 768 . 11 1 1 A 72 72 ALA CB C 72 18.884 18.388 0.496 1
1 769 . 11 1 1 A 72 72 ALA N N 72 123.384 122.931 0.453 1
1 770 . 11 1 1 A 73 73 ALA H H 73 7.595 8.006 -0.411 1
1 771 . 11 1 1 A 73 73 ALA HA H 73 3.731 4.154 -0.423 1
1 775 . 11 1 1 A 73 73 ALA CA C 73 55.647 54.853 0.794 1
1 776 . 11 1 1 A 73 73 ALA CB C 73 17.460 18.602 -1.142 1
1 777 . 11 1 1 A 73 73 ALA N N 73 123.415 119.828 3.587 1
1 778 . 11 1 1 A 74 74 ILE H H 74 7.958 7.914 0.044 1
1 779 . 11 1 1 A 74 74 ILE HA H 74 3.692 3.885 -0.193 1
1 789 . 11 1 1 A 74 74 ILE CA C 74 63.902 64.716 -0.814 1
1 790 . 11 1 1 A 74 74 ILE CB C 74 37.010 37.321 -0.311 1
1 794 . 11 1 1 A 74 74 ILE N N 74 119.834 119.245 0.589 1
1 795 . 11 1 1 A 75 75 ASP H H 75 8.468 8.296 0.172 1
1 796 . 11 1 1 A 75 75 ASP HA H 75 4.282 4.359 -0.077 1
1 799 . 11 1 1 A 75 75 ASP CA C 75 58.107 57.307 0.800 1
1 800 . 11 1 1 A 75 75 ASP CB C 75 40.628 40.445 0.183 1
1 801 . 11 1 1 A 75 75 ASP N N 75 122.091 122.559 -0.468 1
1 802 . 11 1 1 A 76 76 GLY H H 76 8.041 8.247 -0.206 1
1 803 . 11 1 1 A 76 76 GLY HA2 H 76 3.845 3.717 0.128 1
1 804 . 11 1 1 A 76 76 GLY HA3 H 76 3.863 3.720 0.143 1
1 805 . 11 1 1 A 76 76 GLY CA C 76 46.668 47.411 -0.743 1
1 806 . 11 1 1 A 76 76 GLY N N 76 108.081 107.920 0.161 1
1 807 . 11 1 1 A 77 77 LEU H H 77 8.088 7.907 0.181 1
1 808 . 11 1 1 A 77 77 LEU HA H 77 3.709 4.233 -0.524 1
1 818 . 11 1 1 A 77 77 LEU CA C 77 57.865 57.388 0.477 1
1 819 . 11 1 1 A 77 77 LEU CB C 77 41.828 41.806 0.022 1
1 823 . 11 1 1 A 77 77 LEU N N 77 126.711 122.852 3.859 1
1 824 . 11 1 1 A 78 78 ILE H H 78 8.155 8.570 -0.415 1
1 825 . 11 1 1 A 78 78 ILE HA H 78 3.316 3.949 -0.633 1
1 835 . 11 1 1 A 78 78 ILE CA C 78 62.813 63.039 -0.226 1
1 836 . 11 1 1 A 78 78 ILE CB C 78 34.810 37.717 -2.907 1
1 840 . 11 1 1 A 78 78 ILE N N 78 120.409 118.948 1.461 1
1 841 . 11 1 1 A 79 79 ASP H H 79 7.408 7.932 -0.524 1
1 842 . 11 1 1 A 79 79 ASP HA H 79 4.274 4.328 -0.054 1
1 845 . 11 1 1 A 79 79 ASP CA C 79 57.605 57.567 0.038 1
1 846 . 11 1 1 A 79 79 ASP CB C 79 41.017 41.191 -0.174 1
1 847 . 11 1 1 A 79 79 ASP N N 79 120.497 121.896 -1.399 1
1 848 . 11 1 1 A 80 80 LYS H H 80 7.536 7.675 -0.139 1
1 849 . 11 1 1 A 80 80 LYS HA H 80 3.931 4.011 -0.080 1
1 858 . 11 1 1 A 80 80 LYS CA C 80 59.952 59.415 0.537 1
1 859 . 11 1 1 A 80 80 LYS CB C 80 33.221 32.093 1.128 1
1 863 . 11 1 1 A 80 80 LYS N N 80 119.684 118.611 1.073 1
1 864 . 11 1 1 A 81 81 LEU H H 81 8.473 7.951 0.522 1
1 865 . 11 1 1 A 81 81 LEU HA H 81 3.765 3.994 -0.229 1
1 875 . 11 1 1 A 81 81 LEU CA C 81 57.564 57.751 -0.187 1
1 876 . 11 1 1 A 81 81 LEU CB C 81 42.473 41.938 0.535 1
1 880 . 11 1 1 A 81 81 LEU N N 81 121.519 120.260 1.259 1
1 881 . 11 1 1 A 82 82 ALA H H 82 8.682 8.229 0.453 1
1 882 . 11 1 1 A 82 82 ALA HA H 82 3.479 4.456 -0.977 1
1 886 . 11 1 1 A 82 82 ALA CA C 82 55.731 55.811 -0.080 1
1 887 . 11 1 1 A 82 82 ALA CB C 82 17.388 18.480 -1.092 1
1 888 . 11 1 1 A 82 82 ALA N N 82 123.814 120.909 2.905 1
1 889 . 11 1 1 A 83 83 ARG H H 83 7.329 7.943 -0.614 1
1 890 . 11 1 1 A 83 83 ARG HA H 83 3.981 4.109 -0.128 1
1 897 . 11 1 1 A 83 83 ARG CA C 83 59.137 59.693 -0.556 1
1 898 . 11 1 1 A 83 83 ARG CB C 83 29.971 30.128 -0.157 1
1 901 . 11 1 1 A 83 83 ARG N N 83 118.219 117.571 0.648 1
1 902 . 11 1 1 A 84 84 GLN H H 84 7.750 7.581 0.169 1
1 903 . 11 1 1 A 84 84 GLN HA H 84 4.047 4.129 -0.082 1
1 906 . 11 1 1 A 84 84 GLN CA C 84 58.685 58.469 0.216 1
1 907 . 11 1 1 A 84 84 GLN CB C 84 29.903 28.597 1.306 1
1 909 . 11 1 1 A 84 84 GLN N N 84 119.887 119.002 0.885 1
1 910 . 11 1 1 A 85 85 LEU H H 85 8.610 8.577 0.033 1
1 911 . 11 1 1 A 85 85 LEU HA H 85 3.788 3.852 -0.064 1
1 920 . 11 1 1 A 85 85 LEU CA C 85 57.600 57.658 -0.058 1
1 921 . 11 1 1 A 85 85 LEU CB C 85 41.178 40.843 0.335 1
1 925 . 11 1 1 A 85 85 LEU N N 85 122.951 120.141 2.810 1
1 926 . 11 1 1 A 86 86 THR H H 86 7.709 8.258 -0.549 1
1 927 . 11 1 1 A 86 86 THR HA H 86 4.056 4.022 0.034 1
1 932 . 11 1 1 A 86 86 THR CA C 86 65.924 67.126 -1.202 1
1 933 . 11 1 1 A 86 86 THR CB C 86 68.870 68.104 0.766 1
1 935 . 11 1 1 A 86 86 THR N N 86 116.282 115.986 0.296 1
1 936 . 11 1 1 A 87 87 LYS H H 87 7.457 8.029 -0.572 1
1 937 . 11 1 1 A 87 87 LYS HA H 87 4.102 4.024 0.078 1
1 946 . 11 1 1 A 87 87 LYS CA C 87 58.289 59.454 -1.165 1
1 947 . 11 1 1 A 87 87 LYS CB C 87 32.293 32.530 -0.237 1
1 951 . 11 1 1 A 87 87 LYS N N 87 122.670 121.002 1.668 1
1 952 . 11 1 1 A 88 88 HIS H H 88 7.928 8.252 -0.324 1
1 953 . 11 1 1 A 88 88 HIS HA H 88 4.301 4.415 -0.114 1
1 957 . 11 1 1 A 88 88 HIS CA C 88 58.361 58.375 -0.014 1
1 958 . 11 1 1 A 88 88 HIS CB C 88 30.766 28.167 2.599 1
1 960 . 11 1 1 A 88 88 HIS N N 88 121.382 117.024 4.358 1
1 961 . 11 1 1 A 89 89 LYS H H 89 7.928 7.816 0.112 1
1 962 . 11 1 1 A 89 89 LYS HA H 89 3.934 3.903 0.031 1
1 971 . 11 1 1 A 89 89 LYS CA C 89 58.568 58.804 -0.236 1
1 972 . 11 1 1 A 89 89 LYS CB C 89 32.489 31.674 0.815 1
1 976 . 11 1 1 A 89 89 LYS N N 89 121.821 120.265 1.556 1
1 977 . 11 1 1 A 90 90 ASP H H 90 8.143 7.887 0.256 1
1 978 . 11 1 1 A 90 90 ASP HA H 90 4.445 4.355 0.090 1
1 981 . 11 1 1 A 90 90 ASP CA C 90 55.869 56.857 -0.988 1
1 982 . 11 1 1 A 90 90 ASP CB C 90 40.715 40.498 0.217 1
1 983 . 11 1 1 A 90 90 ASP N N 90 121.199 118.654 2.545 1
1 984 . 11 1 1 A 91 91 LYS H H 91 7.867 8.179 -0.312 1
1 985 . 11 1 1 A 91 91 LYS HA H 91 4.130 4.131 -0.001 1
1 994 . 11 1 1 A 91 91 LYS CA C 91 57.421 59.110 -1.689 1
1 995 . 11 1 1 A 91 91 LYS CB C 91 32.365 31.849 0.516 1
1 999 . 11 1 1 A 91 91 LYS N N 91 121.976 117.494 4.482 1
1 1000 . 11 1 1 A 92 92 LEU H H 92 7.709 7.633 0.076 1
1 1001 . 11 1 1 A 92 92 LEU HA H 92 4.171 4.467 -0.296 1
1 1011 . 11 1 1 A 92 92 LEU CA C 92 55.449 54.363 1.086 1
1 1012 . 11 1 1 A 92 92 LEU CB C 92 41.871 39.902 1.969 1
1 1016 . 11 1 1 A 92 92 LEU N N 92 121.802 118.230 3.572 1
1 1017 . 11 1 1 A 93 93 LYS H H 93 7.751 7.530 0.221 1
1 1018 . 11 1 1 A 93 93 LYS HA H 93 4.197 4.571 -0.374 1
1 1027 . 11 1 1 A 93 93 LYS CA C 93 56.420 55.587 0.833 1
1 1028 . 11 1 1 A 93 93 LYS CB C 93 32.792 34.202 -1.410 1
1 1032 . 11 1 1 A 93 93 LYS N N 93 121.954 120.508 1.446 1
1 1033 . 11 1 1 A 94 94 GLN H H 94 8.129 8.891 -0.762 1
1 1034 . 11 1 1 A 94 94 GLN HA H 94 4.208 4.410 -0.202 1
1 1039 . 11 1 1 A 94 94 GLN CA C 94 55.891 55.937 -0.046 1
1 1040 . 11 1 1 A 94 94 GLN CB C 94 29.236 27.651 1.585 1
1 1042 . 11 1 1 A 94 94 GLN N N 94 123.165 125.200 -2.035 1
1 1 . 12 1 1 A 2 2 GLN H H 2 7.809 7.361 0.448 1
1 2 . 12 1 1 A 2 2 GLN HA H 2 4.394 5.027 -0.633 1
1 7 . 12 1 1 A 2 2 GLN CA C 2 55.124 54.309 0.815 1
1 8 . 12 1 1 A 2 2 GLN CB C 2 30.385 31.976 -1.591 1
1 10 . 12 1 1 A 2 2 GLN N N 2 126.586 117.958 8.628 1
1 11 . 12 1 1 A 3 3 LEU H H 3 8.598 8.895 -0.297 1
1 12 . 12 1 1 A 3 3 LEU HA H 3 4.380 5.548 -1.168 1
1 22 . 12 1 1 A 3 3 LEU CA C 3 54.590 52.547 2.043 1
1 23 . 12 1 1 A 3 3 LEU CB C 3 43.701 45.709 -2.008 1
1 27 . 12 1 1 A 3 3 LEU N N 3 128.942 122.448 6.494 1
1 28 . 12 1 1 A 4 4 ASN H H 4 8.227 8.753 -0.526 1
1 29 . 12 1 1 A 4 4 ASN HA H 4 4.864 5.397 -0.533 1
1 32 . 12 1 1 A 4 4 ASN CA C 4 52.628 52.038 0.590 1
1 33 . 12 1 1 A 4 4 ASN CB C 4 41.258 42.792 -1.534 1
1 34 . 12 1 1 A 4 4 ASN N N 4 127.137 117.728 9.409 1
1 35 . 12 1 1 A 5 5 ILE H H 5 8.659 8.605 0.054 1
1 36 . 12 1 1 A 5 5 ILE HA H 5 4.901 5.436 -0.535 1
1 46 . 12 1 1 A 5 5 ILE CA C 5 60.288 59.155 1.133 1
1 47 . 12 1 1 A 5 5 ILE CB C 5 40.902 42.423 -1.521 1
1 51 . 12 1 1 A 5 5 ILE N N 5 126.355 118.060 8.295 1
1 52 . 12 1 1 A 6 6 THR H H 6 8.796 8.656 0.140 1
1 53 . 12 1 1 A 6 6 THR HA H 6 4.654 4.926 -0.272 1
1 58 . 12 1 1 A 6 6 THR CA C 6 60.751 60.616 0.135 1
1 59 . 12 1 1 A 6 6 THR CB C 6 71.993 71.645 0.348 1
1 61 . 12 1 1 A 6 6 THR N N 6 123.546 117.719 5.827 1
1 62 . 12 1 1 A 7 7 GLY H H 7 8.833 9.181 -0.348 1
1 63 . 12 1 1 A 7 7 GLY HA2 H 7 3.764 4.196 -0.432 1
1 64 . 12 1 1 A 7 7 GLY HA3 H 7 5.071 4.201 0.870 1
1 65 . 12 1 1 A 7 7 GLY CA C 7 44.318 44.755 -0.437 1
1 66 . 12 1 1 A 7 7 GLY N N 7 112.240 115.073 -2.833 1
1 67 . 12 1 1 A 8 8 ASN H H 8 8.962 8.171 0.791 1
1 68 . 12 1 1 A 8 8 ASN HA H 8 4.828 5.229 -0.401 1
1 71 . 12 1 1 A 8 8 ASN CA C 8 52.799 52.264 0.535 1
1 72 . 12 1 1 A 8 8 ASN CB C 8 39.244 38.920 0.324 1
1 73 . 12 1 1 A 8 8 ASN N N 8 124.384 120.383 4.001 1
1 74 . 12 1 1 A 9 9 ASN H H 9 8.756 9.083 -0.327 1
1 75 . 12 1 1 A 9 9 ASN HA H 9 4.248 4.277 -0.029 1
1 78 . 12 1 1 A 9 9 ASN CA C 9 53.998 54.169 -0.171 1
1 79 . 12 1 1 A 9 9 ASN CB C 9 37.231 37.609 -0.378 1
1 80 . 12 1 1 A 9 9 ASN N N 9 120.082 118.250 1.832 1
1 81 . 12 1 1 A 10 10 VAL H H 10 6.825 7.738 -0.913 1
1 82 . 12 1 1 A 10 10 VAL HA H 10 4.097 4.550 -0.453 1
1 90 . 12 1 1 A 10 10 VAL CA C 10 60.425 60.181 0.244 1
1 91 . 12 1 1 A 10 10 VAL CB C 10 34.765 35.399 -0.634 1
1 94 . 12 1 1 A 10 10 VAL N N 10 115.342 117.640 -2.298 1
1 95 . 12 1 1 A 11 11 GLU H H 11 8.347 8.520 -0.173 1
1 96 . 12 1 1 A 11 11 GLU HA H 11 4.174 4.499 -0.325 1
1 101 . 12 1 1 A 11 11 GLU CA C 11 55.442 56.433 -0.991 1
1 102 . 12 1 1 A 11 11 GLU CB C 11 30.114 30.116 -0.002 1
1 104 . 12 1 1 A 11 11 GLU N N 11 129.115 128.222 0.893 1
1 105 . 12 1 1 A 12 12 ILE H H 12 8.942 8.753 0.189 1
1 106 . 12 1 1 A 12 12 ILE HA H 12 4.034 4.392 -0.358 1
1 116 . 12 1 1 A 12 12 ILE CA C 12 58.894 61.447 -2.553 1
1 117 . 12 1 1 A 12 12 ILE CB C 12 33.240 36.792 -3.552 1
1 121 . 12 1 1 A 12 12 ILE N N 12 128.622 128.586 0.036 1
1 122 . 12 1 1 A 13 13 THR H H 13 6.818 7.931 -1.113 1
1 123 . 12 1 1 A 13 13 THR HA H 13 4.429 4.887 -0.458 1
1 128 . 12 1 1 A 13 13 THR CA C 13 60.052 60.133 -0.081 1
1 129 . 12 1 1 A 13 13 THR CB C 13 70.842 70.834 0.008 1
1 131 . 12 1 1 A 13 13 THR N N 13 119.687 120.097 -0.410 1
1 132 . 12 1 1 A 14 14 GLU H H 14 8.969 9.011 -0.042 1
1 133 . 12 1 1 A 14 14 GLU HA H 14 4.024 3.998 0.026 1
1 138 . 12 1 1 A 14 14 GLU CA C 14 59.794 59.747 0.047 1
1 139 . 12 1 1 A 14 14 GLU CB C 14 28.845 29.503 -0.658 1
1 141 . 12 1 1 A 14 14 GLU N N 14 123.290 123.168 0.122 1
1 142 . 12 1 1 A 15 15 ALA H H 15 8.334 8.051 0.283 1
1 143 . 12 1 1 A 15 15 ALA HA H 15 4.151 4.098 0.053 1
1 147 . 12 1 1 A 15 15 ALA CA C 15 55.076 55.165 -0.089 1
1 148 . 12 1 1 A 15 15 ALA CB C 15 18.008 18.474 -0.466 1
1 149 . 12 1 1 A 15 15 ALA N N 15 121.958 122.287 -0.329 1
1 150 . 12 1 1 A 16 16 LEU H H 16 7.765 8.089 -0.324 1
1 151 . 12 1 1 A 16 16 LEU HA H 16 4.240 4.207 0.033 1
1 161 . 12 1 1 A 16 16 LEU CA C 16 57.674 58.407 -0.733 1
1 162 . 12 1 1 A 16 16 LEU CB C 16 42.122 41.862 0.260 1
1 166 . 12 1 1 A 16 16 LEU N N 16 123.064 120.135 2.929 1
1 167 . 12 1 1 A 17 17 ARG H H 17 8.627 8.074 0.553 1
1 168 . 12 1 1 A 17 17 ARG HA H 17 3.595 4.150 -0.555 1
1 175 . 12 1 1 A 17 17 ARG CA C 17 60.573 59.158 1.415 1
1 176 . 12 1 1 A 17 17 ARG CB C 17 29.679 30.204 -0.525 1
1 179 . 12 1 1 A 17 17 ARG N N 17 121.878 118.234 3.644 1
1 180 . 12 1 1 A 18 18 GLU H H 18 8.665 7.858 0.807 1
1 181 . 12 1 1 A 18 18 GLU HA H 18 3.952 4.121 -0.169 1
1 186 . 12 1 1 A 18 18 GLU CA C 18 59.654 59.247 0.407 1
1 187 . 12 1 1 A 18 18 GLU CB C 18 29.301 29.651 -0.350 1
1 189 . 12 1 1 A 18 18 GLU N N 18 123.257 119.452 3.805 1
1 190 . 12 1 1 A 19 19 PHE H H 19 8.026 8.241 -0.215 1
1 191 . 12 1 1 A 19 19 PHE HA H 19 4.258 4.147 0.111 1
1 195 . 12 1 1 A 19 19 PHE CA C 19 61.640 61.381 0.259 1
1 196 . 12 1 1 A 19 19 PHE CB C 19 39.547 39.542 0.005 1
1 198 . 12 1 1 A 19 19 PHE N N 19 123.888 121.870 2.018 1
1 199 . 12 1 1 A 20 20 VAL H H 20 8.734 8.234 0.500 1
1 200 . 12 1 1 A 20 20 VAL HA H 20 3.336 3.702 -0.366 1
1 208 . 12 1 1 A 20 20 VAL CA C 20 67.245 66.666 0.579 1
1 209 . 12 1 1 A 20 20 VAL CB C 20 31.965 31.963 0.002 1
1 212 . 12 1 1 A 20 20 VAL N N 20 119.762 118.978 0.784 1
1 213 . 12 1 1 A 21 21 THR H H 21 8.213 8.088 0.125 1
1 214 . 12 1 1 A 21 21 THR HA H 21 3.615 3.985 -0.370 1
1 218 . 12 1 1 A 21 21 THR CA C 21 67.657 66.276 1.381 1
1 219 . 12 1 1 A 21 21 THR CB C 21 68.697 68.421 0.276 1
1 221 . 12 1 1 A 21 21 THR N N 21 117.446 115.773 1.673 1
1 222 . 12 1 1 A 22 22 ALA H H 22 8.050 8.631 -0.581 1
1 223 . 12 1 1 A 22 22 ALA HA H 22 4.084 3.969 0.115 1
1 227 . 12 1 1 A 22 22 ALA CA C 22 54.998 55.549 -0.551 1
1 228 . 12 1 1 A 22 22 ALA CB C 22 17.880 18.722 -0.842 1
1 229 . 12 1 1 A 22 22 ALA N N 22 125.291 123.360 1.931 1
1 230 . 12 1 1 A 23 23 LYS H H 23 7.868 7.596 0.272 1
1 231 . 12 1 1 A 23 23 LYS HA H 23 3.886 3.866 0.020 1
1 240 . 12 1 1 A 23 23 LYS CA C 23 57.286 58.893 -1.607 1
1 241 . 12 1 1 A 23 23 LYS CB C 23 30.651 32.249 -1.598 1
1 245 . 12 1 1 A 23 23 LYS N N 23 119.332 117.328 2.004 1
1 246 . 12 1 1 A 24 24 PHE H H 24 8.369 8.054 0.315 1
1 247 . 12 1 1 A 24 24 PHE HA H 24 3.805 4.438 -0.633 1
1 252 . 12 1 1 A 24 24 PHE CA C 24 62.055 59.999 2.056 1
1 253 . 12 1 1 A 24 24 PHE CB C 24 38.744 38.458 0.286 1
1 256 . 12 1 1 A 24 24 PHE N N 24 119.142 118.452 0.690 1
1 257 . 12 1 1 A 25 25 ALA H H 25 7.879 8.477 -0.598 1
1 258 . 12 1 1 A 25 25 ALA HA H 25 4.140 4.121 0.019 1
1 262 . 12 1 1 A 25 25 ALA CA C 25 55.014 55.292 -0.278 1
1 263 . 12 1 1 A 25 25 ALA CB C 25 17.773 18.257 -0.484 1
1 264 . 12 1 1 A 25 25 ALA N N 25 123.500 121.781 1.719 1
1 265 . 12 1 1 A 26 26 LYS H H 26 7.217 7.644 -0.427 1
1 266 . 12 1 1 A 26 26 LYS HA H 26 4.024 3.839 0.185 1
1 275 . 12 1 1 A 26 26 LYS CA C 26 58.189 59.116 -0.927 1
1 276 . 12 1 1 A 26 26 LYS CB C 26 32.033 32.129 -0.096 1
1 280 . 12 1 1 A 26 26 LYS N N 26 118.541 118.503 0.038 1
1 281 . 12 1 1 A 27 27 LEU H H 27 7.773 7.698 0.075 1
1 282 . 12 1 1 A 27 27 LEU HA H 27 4.257 3.376 0.881 1
1 292 . 12 1 1 A 27 27 LEU CA C 27 55.889 56.168 -0.279 1
1 293 . 12 1 1 A 27 27 LEU CB C 27 41.083 41.778 -0.695 1
1 297 . 12 1 1 A 27 27 LEU N N 27 118.340 119.474 -1.134 1
1 298 . 12 1 1 A 28 28 GLU H H 28 7.296 8.300 -1.004 1
1 299 . 12 1 1 A 28 28 GLU HA H 28 3.489 4.288 -0.799 1
1 304 . 12 1 1 A 28 28 GLU CA C 28 58.336 58.748 -0.412 1
1 305 . 12 1 1 A 28 28 GLU CB C 28 29.265 29.738 -0.473 1
1 307 . 12 1 1 A 28 28 GLU N N 28 119.557 120.141 -0.584 1
1 308 . 12 1 1 A 29 29 GLN H H 29 7.783 7.613 0.170 1
1 309 . 12 1 1 A 29 29 GLN HA H 29 3.923 3.947 -0.024 1
1 314 . 12 1 1 A 29 29 GLN CA C 29 57.387 58.203 -0.816 1
1 315 . 12 1 1 A 29 29 GLN CB C 29 28.082 28.597 -0.515 1
1 317 . 12 1 1 A 29 29 GLN N N 29 117.927 118.998 -1.071 1
1 318 . 12 1 1 A 30 30 TYR H H 30 7.731 6.917 0.814 1
1 319 . 12 1 1 A 30 30 TYR HA H 30 4.433 4.432 0.001 1
1 324 . 12 1 1 A 30 30 TYR CA C 30 58.371 57.985 0.386 1
1 325 . 12 1 1 A 30 30 TYR CB C 30 39.297 38.617 0.680 1
1 328 . 12 1 1 A 30 30 TYR N N 30 118.639 118.536 0.103 1
1 329 . 12 1 1 A 31 31 PHE H H 31 7.652 7.613 0.039 1
1 330 . 12 1 1 A 31 31 PHE HA H 31 4.605 4.882 -0.277 1
1 334 . 12 1 1 A 31 31 PHE CA C 31 58.507 57.742 0.765 1
1 335 . 12 1 1 A 31 31 PHE CB C 31 40.438 39.812 0.626 1
1 337 . 12 1 1 A 31 31 PHE N N 31 119.753 119.924 -0.171 1
1 338 . 12 1 1 A 32 32 ASP H H 32 8.087 9.269 -1.182 1
1 339 . 12 1 1 A 32 32 ASP HA H 32 4.465 4.796 -0.331 1
1 342 . 12 1 1 A 32 32 ASP CA C 32 55.094 54.919 0.175 1
1 343 . 12 1 1 A 32 32 ASP CB C 32 40.511 42.371 -1.860 1
1 344 . 12 1 1 A 32 32 ASP N N 32 121.865 125.449 -3.584 1
1 345 . 12 1 1 A 33 33 ARG H H 33 7.083 7.824 -0.741 1
1 346 . 12 1 1 A 33 33 ARG HA H 33 4.412 4.521 -0.109 1
1 353 . 12 1 1 A 33 33 ARG CA C 33 55.082 55.707 -0.625 1
1 354 . 12 1 1 A 33 33 ARG CB C 33 30.409 28.597 1.812 1
1 357 . 12 1 1 A 33 33 ARG N N 33 119.603 116.325 3.278 1
1 358 . 12 1 1 A 34 34 ILE H H 34 8.139 8.148 -0.009 1
1 359 . 12 1 1 A 34 34 ILE HA H 34 4.051 4.813 -0.762 1
1 369 . 12 1 1 A 34 34 ILE CA C 34 61.543 60.594 0.949 1
1 370 . 12 1 1 A 34 34 ILE CB C 34 39.510 41.237 -1.727 1
1 374 . 12 1 1 A 34 34 ILE N N 34 123.576 123.765 -0.189 1
1 375 . 12 1 1 A 35 35 ASN H H 35 8.560 8.801 -0.241 1
1 376 . 12 1 1 A 35 35 ASN HA H 35 4.870 4.908 -0.038 1
1 379 . 12 1 1 A 35 35 ASN CA C 35 53.877 54.117 -0.240 1
1 380 . 12 1 1 A 35 35 ASN CB C 35 38.806 39.567 -0.761 1
1 381 . 12 1 1 A 35 35 ASN N N 35 126.934 120.987 5.947 1
1 382 . 12 1 1 A 36 36 GLN H H 36 7.843 7.879 -0.036 1
1 383 . 12 1 1 A 36 36 GLN HA H 36 4.519 5.246 -0.727 1
1 388 . 12 1 1 A 36 36 GLN CA C 36 56.345 54.305 2.040 1
1 389 . 12 1 1 A 36 36 GLN CB C 36 31.240 31.136 0.104 1
1 391 . 12 1 1 A 36 36 GLN N N 36 120.673 118.040 2.633 1
1 392 . 12 1 1 A 37 37 VAL H H 37 8.330 8.922 -0.592 1
1 393 . 12 1 1 A 37 37 VAL HA H 37 4.693 4.747 -0.054 1
1 401 . 12 1 1 A 37 37 VAL CA C 37 60.789 61.231 -0.442 1
1 402 . 12 1 1 A 37 37 VAL CB C 37 34.740 34.416 0.324 1
1 405 . 12 1 1 A 37 37 VAL N N 37 123.403 126.790 -3.387 1
1 406 . 12 1 1 A 38 38 TYR H H 38 8.943 8.021 0.922 1
1 407 . 12 1 1 A 38 38 TYR HA H 38 5.039 6.177 -1.138 1
1 412 . 12 1 1 A 38 38 TYR CA C 38 57.028 55.307 1.721 1
1 413 . 12 1 1 A 38 38 TYR CB C 38 39.705 42.192 -2.487 1
1 416 . 12 1 1 A 38 38 TYR N N 38 129.202 123.201 6.001 1
1 417 . 12 1 1 A 39 39 VAL H H 39 9.053 8.729 0.324 1
1 418 . 12 1 1 A 39 39 VAL HA H 39 5.048 5.082 -0.034 1
1 426 . 12 1 1 A 39 39 VAL CA C 39 60.685 60.602 0.083 1
1 427 . 12 1 1 A 39 39 VAL CB C 39 34.107 35.382 -1.275 1
1 430 . 12 1 1 A 39 39 VAL N N 39 127.771 122.468 5.303 1
1 431 . 12 1 1 A 40 40 VAL H H 40 9.276 8.924 0.352 1
1 432 . 12 1 1 A 40 40 VAL HA H 40 4.862 4.862 0.000 1
1 440 . 12 1 1 A 40 40 VAL CA C 40 60.896 61.177 -0.281 1
1 441 . 12 1 1 A 40 40 VAL CB C 40 34.411 35.607 -1.196 1
1 444 . 12 1 1 A 40 40 VAL N N 40 130.939 126.308 4.631 1
1 445 . 12 1 1 A 41 41 LEU H H 41 8.714 8.846 -0.132 1
1 446 . 12 1 1 A 41 41 LEU HA H 41 5.111 5.621 -0.510 1
1 456 . 12 1 1 A 41 41 LEU CA C 41 53.150 52.856 0.294 1
1 457 . 12 1 1 A 41 41 LEU CB C 41 42.538 45.400 -2.862 1
1 461 . 12 1 1 A 41 41 LEU N N 41 130.200 125.489 4.711 1
1 462 . 12 1 1 A 42 42 LYS H H 42 8.955 9.737 -0.782 1
1 463 . 12 1 1 A 42 42 LYS HA H 42 5.180 5.589 -0.409 1
1 472 . 12 1 1 A 42 42 LYS CA C 42 55.017 54.754 0.263 1
1 473 . 12 1 1 A 42 42 LYS CB C 42 36.649 34.304 2.345 1
1 477 . 12 1 1 A 42 42 LYS N N 42 124.155 122.932 1.223 1
1 478 . 12 1 1 A 43 43 VAL H H 43 7.515 8.638 -1.123 1
1 479 . 12 1 1 A 43 43 VAL HA H 43 4.360 4.417 -0.057 1
1 487 . 12 1 1 A 43 43 VAL CA C 43 61.230 61.130 0.100 1
1 488 . 12 1 1 A 43 43 VAL CB C 43 33.656 33.087 0.569 1
1 491 . 12 1 1 A 43 43 VAL N N 43 124.332 125.222 -0.890 1
1 492 . 12 1 1 A 44 44 GLU H H 44 8.092 8.334 -0.242 1
1 493 . 12 1 1 A 44 44 GLU HA H 44 4.368 4.785 -0.417 1
1 498 . 12 1 1 A 44 44 GLU CA C 44 55.445 54.369 1.076 1
1 499 . 12 1 1 A 44 44 GLU CB C 44 31.404 33.375 -1.971 1
1 501 . 12 1 1 A 44 44 GLU N N 44 130.594 125.203 5.391 1
1 502 . 12 1 1 A 45 45 LYS H H 45 8.982 8.703 0.279 1
1 503 . 12 1 1 A 45 45 LYS HA H 45 3.695 3.955 -0.260 1
1 512 . 12 1 1 A 45 45 LYS CA C 45 59.588 58.914 0.674 1
1 513 . 12 1 1 A 45 45 LYS CB C 45 30.077 32.152 -2.075 1
1 517 . 12 1 1 A 45 45 LYS N N 45 125.587 120.992 4.595 1
1 518 . 12 1 1 A 46 46 VAL H H 46 7.710 7.460 0.250 1
1 519 . 12 1 1 A 46 46 VAL HA H 46 4.346 3.999 0.347 1
1 527 . 12 1 1 A 46 46 VAL CA C 46 61.342 64.580 -3.238 1
1 528 . 12 1 1 A 46 46 VAL CB C 46 31.917 31.931 -0.014 1
1 531 . 12 1 1 A 46 46 VAL N N 46 115.763 118.249 -2.486 1
1 532 . 12 1 1 A 47 47 THR H H 47 8.151 7.754 0.397 1
1 533 . 12 1 1 A 47 47 THR HA H 47 4.397 5.282 -0.885 1
1 538 . 12 1 1 A 47 47 THR CA C 47 63.072 61.107 1.965 1
1 539 . 12 1 1 A 47 47 THR CB C 47 69.615 72.081 -2.466 1
1 541 . 12 1 1 A 47 47 THR N N 47 120.888 111.727 9.161 1
1 542 . 12 1 1 A 48 48 HIS H H 48 8.753 9.100 -0.347 1
1 543 . 12 1 1 A 48 48 HIS HA H 48 4.826 5.274 -0.448 1
1 547 . 12 1 1 A 48 48 HIS CA C 48 55.978 55.088 0.890 1
1 548 . 12 1 1 A 48 48 HIS CB C 48 30.476 31.138 -0.662 1
1 550 . 12 1 1 A 48 48 HIS N N 48 130.755 123.212 7.543 1
1 551 . 12 1 1 A 49 49 THR H H 49 9.136 8.441 0.695 1
1 552 . 12 1 1 A 49 49 THR HA H 49 5.245 5.229 0.016 1
1 557 . 12 1 1 A 49 49 THR CA C 49 60.941 61.157 -0.216 1
1 558 . 12 1 1 A 49 49 THR CB C 49 71.411 72.120 -0.709 1
1 560 . 12 1 1 A 49 49 THR N N 49 118.522 117.003 1.519 1
1 561 . 12 1 1 A 50 50 SER H H 50 9.050 8.709 0.341 1
1 562 . 12 1 1 A 50 50 SER HA H 50 5.348 5.643 -0.295 1
1 565 . 12 1 1 A 50 50 SER CA C 50 55.645 56.807 -1.162 1
1 566 . 12 1 1 A 50 50 SER CB C 50 66.579 66.052 0.527 1
1 567 . 12 1 1 A 50 50 SER N N 50 119.749 121.006 -1.257 1
1 568 . 12 1 1 A 51 51 ASP H H 51 8.843 9.491 -0.648 1
1 569 . 12 1 1 A 51 51 ASP HA H 51 5.363 5.807 -0.444 1
1 572 . 12 1 1 A 51 51 ASP CA C 51 52.879 52.345 0.534 1
1 573 . 12 1 1 A 51 51 ASP CB C 51 45.173 44.562 0.611 1
1 574 . 12 1 1 A 51 51 ASP N N 51 126.330 121.926 4.404 1
1 575 . 12 1 1 A 52 52 ALA H H 52 8.938 9.294 -0.356 1
1 576 . 12 1 1 A 52 52 ALA HA H 52 5.777 5.136 0.641 1
1 580 . 12 1 1 A 52 52 ALA CA C 52 50.806 51.521 -0.715 1
1 581 . 12 1 1 A 52 52 ALA CB C 52 24.676 21.247 3.429 1
1 582 . 12 1 1 A 52 52 ALA N N 52 122.789 122.185 0.604 1
1 583 . 12 1 1 A 53 53 THR H H 53 8.666 8.537 0.129 1
1 584 . 12 1 1 A 53 53 THR HA H 53 4.979 4.971 0.008 1
1 589 . 12 1 1 A 53 53 THR CA C 53 62.026 61.375 0.651 1
1 590 . 12 1 1 A 53 53 THR CB C 53 70.850 68.882 1.968 1
1 592 . 12 1 1 A 53 53 THR N N 53 118.344 118.340 0.004 1
1 593 . 12 1 1 A 54 54 LEU H H 54 9.662 8.849 0.813 1
1 594 . 12 1 1 A 54 54 LEU HA H 54 4.921 4.997 -0.076 1
1 604 . 12 1 1 A 54 54 LEU CA C 54 53.923 53.878 0.045 1
1 605 . 12 1 1 A 54 54 LEU CB C 54 43.782 44.270 -0.488 1
1 609 . 12 1 1 A 54 54 LEU N N 54 129.166 127.704 1.462 1
1 610 . 12 1 1 A 55 55 HIS H H 55 8.956 9.108 -0.152 1
1 611 . 12 1 1 A 55 55 HIS HA H 55 4.882 5.135 -0.253 1
1 615 . 12 1 1 A 55 55 HIS CA C 55 56.326 55.074 1.252 1
1 616 . 12 1 1 A 55 55 HIS CB C 55 30.431 31.477 -1.046 1
1 618 . 12 1 1 A 55 55 HIS N N 55 126.094 121.871 4.223 1
1 619 . 12 1 1 A 56 56 VAL H H 56 8.151 8.796 -0.645 1
1 620 . 12 1 1 A 56 56 VAL HA H 56 4.856 4.589 0.267 1
1 628 . 12 1 1 A 56 56 VAL CA C 56 58.734 60.050 -1.316 1
1 629 . 12 1 1 A 56 56 VAL CB C 56 34.523 35.552 -1.029 1
1 632 . 12 1 1 A 56 56 VAL N N 56 120.242 121.578 -1.336 1
1 633 . 12 1 1 A 57 57 ASN H H 57 8.970 8.859 0.111 1
1 634 . 12 1 1 A 57 57 ASN HA H 57 4.463 4.380 0.083 1
1 637 . 12 1 1 A 57 57 ASN CA C 57 54.963 54.975 -0.012 1
1 638 . 12 1 1 A 57 57 ASN CB C 57 37.481 37.677 -0.196 1
1 639 . 12 1 1 A 57 57 ASN N N 57 124.652 124.422 0.230 1
1 640 . 12 1 1 A 58 58 GLY H H 58 8.868 8.670 0.198 1
1 641 . 12 1 1 A 58 58 GLY HA2 H 58 3.814 4.009 -0.195 1
1 642 . 12 1 1 A 58 58 GLY HA3 H 58 4.152 4.019 0.133 1
1 643 . 12 1 1 A 58 58 GLY CA C 58 45.606 44.998 0.608 1
1 644 . 12 1 1 A 58 58 GLY N N 58 112.816 111.921 0.895 1
1 645 . 12 1 1 A 59 59 GLY H H 59 7.848 7.548 0.300 1
1 646 . 12 1 1 A 59 59 GLY HA2 H 59 3.978 3.967 0.011 1
1 647 . 12 1 1 A 59 59 GLY HA3 H 59 4.153 4.002 0.151 1
1 648 . 12 1 1 A 59 59 GLY CA C 59 45.321 45.398 -0.077 1
1 649 . 12 1 1 A 59 59 GLY N N 59 109.857 107.390 2.467 1
1 650 . 12 1 1 A 60 60 GLU H H 60 8.262 8.789 -0.527 1
1 651 . 12 1 1 A 60 60 GLU HA H 60 5.110 4.926 0.184 1
1 656 . 12 1 1 A 60 60 GLU CA C 60 54.756 54.645 0.111 1
1 657 . 12 1 1 A 60 60 GLU CB C 60 32.933 33.422 -0.489 1
1 659 . 12 1 1 A 60 60 GLU N N 60 121.732 120.142 1.590 1
1 660 . 12 1 1 A 61 61 ILE H H 61 8.764 8.604 0.160 1
1 661 . 12 1 1 A 61 61 ILE HA H 61 4.286 4.831 -0.545 1
1 671 . 12 1 1 A 61 61 ILE CA C 61 59.713 60.197 -0.484 1
1 672 . 12 1 1 A 61 61 ILE CB C 61 41.194 39.742 1.452 1
1 676 . 12 1 1 A 61 61 ILE N N 61 124.817 124.055 0.762 1
1 677 . 12 1 1 A 62 62 HIS H H 62 8.907 8.889 0.018 1
1 678 . 12 1 1 A 62 62 HIS HA H 62 5.743 5.219 0.524 1
1 682 . 12 1 1 A 62 62 HIS CA C 62 54.009 53.584 0.425 1
1 683 . 12 1 1 A 62 62 HIS CB C 62 32.365 33.102 -0.737 1
1 685 . 12 1 1 A 62 62 HIS N N 62 127.338 126.893 0.445 1
1 686 . 12 1 1 A 63 63 ALA H H 63 8.298 9.131 -0.833 1
1 687 . 12 1 1 A 63 63 ALA HA H 63 4.480 5.359 -0.879 1
1 691 . 12 1 1 A 63 63 ALA CA C 63 51.764 50.367 1.397 1
1 692 . 12 1 1 A 63 63 ALA CB C 63 23.678 23.329 0.349 1
1 693 . 12 1 1 A 63 63 ALA N N 63 125.511 130.390 -4.879 1
1 694 . 12 1 1 A 64 64 SER H H 64 8.070 8.805 -0.735 1
1 695 . 12 1 1 A 64 64 SER HA H 64 5.286 5.521 -0.235 1
1 698 . 12 1 1 A 64 64 SER CA C 64 56.782 57.173 -0.391 1
1 699 . 12 1 1 A 64 64 SER CB C 64 65.895 65.883 0.012 1
1 700 . 12 1 1 A 64 64 SER N N 64 114.469 113.432 1.037 1
1 701 . 12 1 1 A 65 65 ALA H H 65 8.904 8.990 -0.086 1
1 702 . 12 1 1 A 65 65 ALA HA H 65 4.669 5.285 -0.616 1
1 706 . 12 1 1 A 65 65 ALA CA C 65 51.753 50.698 1.055 1
1 707 . 12 1 1 A 65 65 ALA CB C 65 22.599 24.217 -1.618 1
1 708 . 12 1 1 A 65 65 ALA N N 65 126.977 124.337 2.640 1
1 709 . 12 1 1 A 66 66 GLU H H 66 8.200 8.710 -0.510 1
1 710 . 12 1 1 A 66 66 GLU HA H 66 5.680 5.277 0.403 1
1 715 . 12 1 1 A 66 66 GLU CA C 66 53.650 54.702 -1.052 1
1 716 . 12 1 1 A 66 66 GLU CB C 66 33.741 34.259 -0.518 1
1 718 . 12 1 1 A 66 66 GLU N N 66 119.267 117.854 1.413 1
1 719 . 12 1 1 A 67 67 GLY H H 67 8.836 8.472 0.364 1
1 720 . 12 1 1 A 67 67 GLY HA2 H 67 4.490 4.107 0.383 1
1 721 . 12 1 1 A 67 67 GLY HA3 H 67 3.728 4.107 -0.379 1
1 722 . 12 1 1 A 67 67 GLY CA C 67 45.157 45.943 -0.786 1
1 723 . 12 1 1 A 67 67 GLY N N 67 108.048 109.283 -1.235 1
1 724 . 12 1 1 A 68 68 GLN H H 68 8.997 7.783 1.214 1
1 725 . 12 1 1 A 68 68 GLN HA H 68 4.440 4.491 -0.051 1
1 730 . 12 1 1 A 68 68 GLN CA C 68 56.996 56.455 0.541 1
1 731 . 12 1 1 A 68 68 GLN CB C 68 28.694 32.040 -3.346 1
1 733 . 12 1 1 A 68 68 GLN N N 68 119.961 117.807 2.154 1
1 734 . 12 1 1 A 69 69 ASP H H 69 7.542 7.544 -0.002 1
1 735 . 12 1 1 A 69 69 ASP HA H 69 3.242 3.909 -0.667 1
1 738 . 12 1 1 A 69 69 ASP CA C 69 51.838 52.332 -0.494 1
1 739 . 12 1 1 A 69 69 ASP CB C 69 42.829 42.556 0.273 1
1 740 . 12 1 1 A 69 69 ASP N N 69 115.279 115.655 -0.376 1
1 741 . 12 1 1 A 70 70 MET H H 70 8.409 8.691 -0.282 1
1 742 . 12 1 1 A 70 70 MET HA H 70 4.200 4.261 -0.061 1
1 747 . 12 1 1 A 70 70 MET CA C 70 56.505 58.326 -1.821 1
1 748 . 12 1 1 A 70 70 MET CB C 70 31.533 32.118 -0.585 1
1 750 . 12 1 1 A 70 70 MET N N 70 120.495 118.526 1.969 1
1 751 . 12 1 1 A 71 71 TYR H H 71 7.304 7.149 0.155 1
1 752 . 12 1 1 A 71 71 TYR HA H 71 3.832 4.258 -0.426 1
1 757 . 12 1 1 A 71 71 TYR CA C 71 60.141 60.508 -0.367 1
1 758 . 12 1 1 A 71 71 TYR CB C 71 35.788 38.851 -3.063 1
1 761 . 12 1 1 A 71 71 TYR N N 71 120.024 117.927 2.097 1
1 762 . 12 1 1 A 72 72 ALA H H 72 8.474 8.899 -0.425 1
1 763 . 12 1 1 A 72 72 ALA HA H 72 4.213 4.012 0.201 1
1 767 . 12 1 1 A 72 72 ALA CA C 72 54.526 55.197 -0.671 1
1 768 . 12 1 1 A 72 72 ALA CB C 72 18.884 18.205 0.679 1
1 769 . 12 1 1 A 72 72 ALA N N 72 123.384 122.980 0.404 1
1 770 . 12 1 1 A 73 73 ALA H H 73 7.595 8.130 -0.535 1
1 771 . 12 1 1 A 73 73 ALA HA H 73 3.731 4.168 -0.437 1
1 775 . 12 1 1 A 73 73 ALA CA C 73 55.647 54.567 1.080 1
1 776 . 12 1 1 A 73 73 ALA CB C 73 17.460 18.575 -1.115 1
1 777 . 12 1 1 A 73 73 ALA N N 73 123.415 120.078 3.337 1
1 778 . 12 1 1 A 74 74 ILE H H 74 7.958 7.951 0.007 1
1 779 . 12 1 1 A 74 74 ILE HA H 74 3.692 3.891 -0.199 1
1 789 . 12 1 1 A 74 74 ILE CA C 74 63.902 64.784 -0.882 1
1 790 . 12 1 1 A 74 74 ILE CB C 74 37.010 36.989 0.021 1
1 794 . 12 1 1 A 74 74 ILE N N 74 119.834 118.994 0.840 1
1 795 . 12 1 1 A 75 75 ASP H H 75 8.468 8.369 0.099 1
1 796 . 12 1 1 A 75 75 ASP HA H 75 4.282 4.398 -0.116 1
1 799 . 12 1 1 A 75 75 ASP CA C 75 58.107 57.538 0.569 1
1 800 . 12 1 1 A 75 75 ASP CB C 75 40.628 40.388 0.240 1
1 801 . 12 1 1 A 75 75 ASP N N 75 122.091 121.591 0.500 1
1 802 . 12 1 1 A 76 76 GLY H H 76 8.041 8.290 -0.249 1
1 803 . 12 1 1 A 76 76 GLY HA2 H 76 3.845 3.715 0.130 1
1 804 . 12 1 1 A 76 76 GLY HA3 H 76 3.863 3.720 0.143 1
1 805 . 12 1 1 A 76 76 GLY CA C 76 46.668 47.369 -0.701 1
1 806 . 12 1 1 A 76 76 GLY N N 76 108.081 108.382 -0.301 1
1 807 . 12 1 1 A 77 77 LEU H H 77 8.088 7.926 0.162 1
1 808 . 12 1 1 A 77 77 LEU HA H 77 3.709 4.161 -0.452 1
1 818 . 12 1 1 A 77 77 LEU CA C 77 57.865 57.458 0.407 1
1 819 . 12 1 1 A 77 77 LEU CB C 77 41.828 41.773 0.055 1
1 823 . 12 1 1 A 77 77 LEU N N 77 126.711 122.573 4.138 1
1 824 . 12 1 1 A 78 78 ILE H H 78 8.155 8.371 -0.216 1
1 825 . 12 1 1 A 78 78 ILE HA H 78 3.316 3.838 -0.522 1
1 835 . 12 1 1 A 78 78 ILE CA C 78 62.813 63.400 -0.587 1
1 836 . 12 1 1 A 78 78 ILE CB C 78 34.810 37.196 -2.386 1
1 840 . 12 1 1 A 78 78 ILE N N 78 120.409 119.320 1.089 1
1 841 . 12 1 1 A 79 79 ASP H H 79 7.408 7.735 -0.327 1
1 842 . 12 1 1 A 79 79 ASP HA H 79 4.274 4.376 -0.102 1
1 845 . 12 1 1 A 79 79 ASP CA C 79 57.605 56.564 1.041 1
1 846 . 12 1 1 A 79 79 ASP CB C 79 41.017 40.922 0.095 1
1 847 . 12 1 1 A 79 79 ASP N N 79 120.497 122.500 -2.003 1
1 848 . 12 1 1 A 80 80 LYS H H 80 7.536 7.566 -0.030 1
1 849 . 12 1 1 A 80 80 LYS HA H 80 3.931 4.044 -0.113 1
1 858 . 12 1 1 A 80 80 LYS CA C 80 59.952 59.749 0.203 1
1 859 . 12 1 1 A 80 80 LYS CB C 80 33.221 32.460 0.761 1
1 863 . 12 1 1 A 80 80 LYS N N 80 119.684 118.561 1.123 1
1 864 . 12 1 1 A 81 81 LEU H H 81 8.473 8.036 0.437 1
1 865 . 12 1 1 A 81 81 LEU HA H 81 3.765 3.952 -0.187 1
1 875 . 12 1 1 A 81 81 LEU CA C 81 57.564 57.832 -0.268 1
1 876 . 12 1 1 A 81 81 LEU CB C 81 42.473 41.654 0.819 1
1 880 . 12 1 1 A 81 81 LEU N N 81 121.519 120.146 1.373 1
1 881 . 12 1 1 A 82 82 ALA H H 82 8.682 8.100 0.582 1
1 882 . 12 1 1 A 82 82 ALA HA H 82 3.479 4.459 -0.980 1
1 886 . 12 1 1 A 82 82 ALA CA C 82 55.731 55.655 0.076 1
1 887 . 12 1 1 A 82 82 ALA CB C 82 17.388 18.596 -1.208 1
1 888 . 12 1 1 A 82 82 ALA N N 82 123.814 121.630 2.184 1
1 889 . 12 1 1 A 83 83 ARG H H 83 7.329 7.879 -0.550 1
1 890 . 12 1 1 A 83 83 ARG HA H 83 3.981 4.127 -0.146 1
1 897 . 12 1 1 A 83 83 ARG CA C 83 59.137 59.735 -0.598 1
1 898 . 12 1 1 A 83 83 ARG CB C 83 29.971 30.158 -0.187 1
1 901 . 12 1 1 A 83 83 ARG N N 83 118.219 117.610 0.609 1
1 902 . 12 1 1 A 84 84 GLN H H 84 7.750 7.808 -0.058 1
1 903 . 12 1 1 A 84 84 GLN HA H 84 4.047 4.086 -0.039 1
1 906 . 12 1 1 A 84 84 GLN CA C 84 58.685 58.423 0.262 1
1 907 . 12 1 1 A 84 84 GLN CB C 84 29.903 28.441 1.462 1
1 909 . 12 1 1 A 84 84 GLN N N 84 119.887 119.327 0.560 1
1 910 . 12 1 1 A 85 85 LEU H H 85 8.610 8.547 0.063 1
1 911 . 12 1 1 A 85 85 LEU HA H 85 3.788 3.843 -0.055 1
1 920 . 12 1 1 A 85 85 LEU CA C 85 57.600 57.570 0.030 1
1 921 . 12 1 1 A 85 85 LEU CB C 85 41.178 40.952 0.226 1
1 925 . 12 1 1 A 85 85 LEU N N 85 122.951 119.964 2.987 1
1 926 . 12 1 1 A 86 86 THR H H 86 7.709 8.180 -0.471 1
1 927 . 12 1 1 A 86 86 THR HA H 86 4.056 4.049 0.007 1
1 932 . 12 1 1 A 86 86 THR CA C 86 65.924 66.040 -0.116 1
1 933 . 12 1 1 A 86 86 THR CB C 86 68.870 68.213 0.657 1
1 935 . 12 1 1 A 86 86 THR N N 86 116.282 111.234 5.048 1
1 936 . 12 1 1 A 87 87 LYS H H 87 7.457 7.630 -0.173 1
1 937 . 12 1 1 A 87 87 LYS HA H 87 4.102 3.907 0.195 1
1 946 . 12 1 1 A 87 87 LYS CA C 87 58.289 59.432 -1.143 1
1 947 . 12 1 1 A 87 87 LYS CB C 87 32.293 32.129 0.164 1
1 951 . 12 1 1 A 87 87 LYS N N 87 122.670 122.846 -0.176 1
1 952 . 12 1 1 A 88 88 HIS H H 88 7.928 8.055 -0.127 1
1 953 . 12 1 1 A 88 88 HIS HA H 88 4.301 4.274 0.027 1
1 957 . 12 1 1 A 88 88 HIS CA C 88 58.361 58.899 -0.538 1
1 958 . 12 1 1 A 88 88 HIS CB C 88 30.766 28.674 2.092 1
1 960 . 12 1 1 A 88 88 HIS N N 88 121.382 117.487 3.895 1
1 961 . 12 1 1 A 89 89 LYS H H 89 7.928 7.423 0.505 1
1 962 . 12 1 1 A 89 89 LYS HA H 89 3.934 4.083 -0.149 1
1 971 . 12 1 1 A 89 89 LYS CA C 89 58.568 58.495 0.073 1
1 972 . 12 1 1 A 89 89 LYS CB C 89 32.489 32.197 0.292 1
1 976 . 12 1 1 A 89 89 LYS N N 89 121.821 121.249 0.572 1
1 977 . 12 1 1 A 90 90 ASP H H 90 8.143 8.091 0.052 1
1 978 . 12 1 1 A 90 90 ASP HA H 90 4.445 4.360 0.085 1
1 981 . 12 1 1 A 90 90 ASP CA C 90 55.869 57.251 -1.382 1
1 982 . 12 1 1 A 90 90 ASP CB C 90 40.715 40.573 0.142 1
1 983 . 12 1 1 A 90 90 ASP N N 90 121.199 120.160 1.039 1
1 984 . 12 1 1 A 91 91 LYS H H 91 7.867 8.030 -0.163 1
1 985 . 12 1 1 A 91 91 LYS HA H 91 4.130 4.098 0.032 1
1 994 . 12 1 1 A 91 91 LYS CA C 91 57.421 58.875 -1.454 1
1 995 . 12 1 1 A 91 91 LYS CB C 91 32.365 32.093 0.272 1
1 999 . 12 1 1 A 91 91 LYS N N 91 121.976 118.784 3.192 1
1 1000 . 12 1 1 A 92 92 LEU H H 92 7.709 7.972 -0.263 1
1 1001 . 12 1 1 A 92 92 LEU HA H 92 4.171 4.515 -0.344 1
1 1011 . 12 1 1 A 92 92 LEU CA C 92 55.449 54.366 1.083 1
1 1012 . 12 1 1 A 92 92 LEU CB C 92 41.871 40.857 1.014 1
1 1016 . 12 1 1 A 92 92 LEU N N 92 121.802 117.316 4.486 1
1 1017 . 12 1 1 A 93 93 LYS H H 93 7.751 7.871 -0.120 1
1 1018 . 12 1 1 A 93 93 LYS HA H 93 4.197 4.642 -0.445 1
1 1027 . 12 1 1 A 93 93 LYS CA C 93 56.420 55.177 1.243 1
1 1028 . 12 1 1 A 93 93 LYS CB C 93 32.792 33.296 -0.504 1
1 1032 . 12 1 1 A 93 93 LYS N N 93 121.954 118.975 2.979 1
1 1033 . 12 1 1 A 94 94 GLN H H 94 8.129 8.152 -0.023 1
1 1034 . 12 1 1 A 94 94 GLN HA H 94 4.208 4.623 -0.415 1
1 1039 . 12 1 1 A 94 94 GLN CA C 94 55.891 55.070 0.821 1
1 1040 . 12 1 1 A 94 94 GLN CB C 94 29.236 29.290 -0.054 1
1 1042 . 12 1 1 A 94 94 GLN N N 94 123.165 118.206 4.959 1
1 1 . 13 1 1 A 2 2 GLN H H 2 7.809 8.845 -1.036 1
1 2 . 13 1 1 A 2 2 GLN HA H 2 4.394 4.105 0.289 1
1 7 . 13 1 1 A 2 2 GLN CA C 2 55.124 58.391 -3.267 1
1 8 . 13 1 1 A 2 2 GLN CB C 2 30.385 28.359 2.026 1
1 10 . 13 1 1 A 2 2 GLN N N 2 126.586 119.992 6.594 1
1 11 . 13 1 1 A 3 3 LEU H H 3 8.598 8.336 0.262 1
1 12 . 13 1 1 A 3 3 LEU HA H 3 4.380 5.252 -0.872 1
1 22 . 13 1 1 A 3 3 LEU CA C 3 54.590 52.642 1.948 1
1 23 . 13 1 1 A 3 3 LEU CB C 3 43.701 45.078 -1.377 1
1 27 . 13 1 1 A 3 3 LEU N N 3 128.942 115.706 13.236 1
1 28 . 13 1 1 A 4 4 ASN H H 4 8.227 8.770 -0.543 1
1 29 . 13 1 1 A 4 4 ASN HA H 4 4.864 5.392 -0.528 1
1 32 . 13 1 1 A 4 4 ASN CA C 4 52.628 51.727 0.901 1
1 33 . 13 1 1 A 4 4 ASN CB C 4 41.258 42.942 -1.684 1
1 34 . 13 1 1 A 4 4 ASN N N 4 127.137 117.904 9.233 1
1 35 . 13 1 1 A 5 5 ILE H H 5 8.659 8.757 -0.098 1
1 36 . 13 1 1 A 5 5 ILE HA H 5 4.901 5.291 -0.390 1
1 46 . 13 1 1 A 5 5 ILE CA C 5 60.288 59.777 0.511 1
1 47 . 13 1 1 A 5 5 ILE CB C 5 40.902 41.411 -0.509 1
1 51 . 13 1 1 A 5 5 ILE N N 5 126.355 120.792 5.563 1
1 52 . 13 1 1 A 6 6 THR H H 6 8.796 8.750 0.046 1
1 53 . 13 1 1 A 6 6 THR HA H 6 4.654 4.888 -0.234 1
1 58 . 13 1 1 A 6 6 THR CA C 6 60.751 60.490 0.261 1
1 59 . 13 1 1 A 6 6 THR CB C 6 71.993 70.840 1.153 1
1 61 . 13 1 1 A 6 6 THR N N 6 123.546 121.407 2.139 1
1 62 . 13 1 1 A 7 7 GLY H H 7 8.833 9.141 -0.308 1
1 63 . 13 1 1 A 7 7 GLY HA2 H 7 3.764 4.093 -0.329 1
1 64 . 13 1 1 A 7 7 GLY HA3 H 7 5.071 4.101 0.970 1
1 65 . 13 1 1 A 7 7 GLY CA C 7 44.318 45.312 -0.994 1
1 66 . 13 1 1 A 7 7 GLY N N 7 112.240 115.047 -2.807 1
1 67 . 13 1 1 A 8 8 ASN H H 8 8.962 8.794 0.168 1
1 68 . 13 1 1 A 8 8 ASN HA H 8 4.828 5.394 -0.566 1
1 71 . 13 1 1 A 8 8 ASN CA C 8 52.799 51.653 1.146 1
1 72 . 13 1 1 A 8 8 ASN CB C 8 39.244 39.967 -0.723 1
1 73 . 13 1 1 A 8 8 ASN N N 8 124.384 121.095 3.289 1
1 74 . 13 1 1 A 9 9 ASN H H 9 8.756 9.145 -0.389 1
1 75 . 13 1 1 A 9 9 ASN HA H 9 4.248 4.291 -0.043 1
1 78 . 13 1 1 A 9 9 ASN CA C 9 53.998 54.250 -0.252 1
1 79 . 13 1 1 A 9 9 ASN CB C 9 37.231 37.574 -0.343 1
1 80 . 13 1 1 A 9 9 ASN N N 9 120.082 118.200 1.882 1
1 81 . 13 1 1 A 10 10 VAL H H 10 6.825 7.768 -0.943 1
1 82 . 13 1 1 A 10 10 VAL HA H 10 4.097 4.583 -0.486 1
1 90 . 13 1 1 A 10 10 VAL CA C 10 60.425 60.264 0.161 1
1 91 . 13 1 1 A 10 10 VAL CB C 10 34.765 35.394 -0.629 1
1 94 . 13 1 1 A 10 10 VAL N N 10 115.342 117.425 -2.083 1
1 95 . 13 1 1 A 11 11 GLU H H 11 8.347 8.528 -0.181 1
1 96 . 13 1 1 A 11 11 GLU HA H 11 4.174 4.609 -0.435 1
1 101 . 13 1 1 A 11 11 GLU CA C 11 55.442 56.067 -0.625 1
1 102 . 13 1 1 A 11 11 GLU CB C 11 30.114 30.022 0.092 1
1 104 . 13 1 1 A 11 11 GLU N N 11 129.115 125.773 3.342 1
1 105 . 13 1 1 A 12 12 ILE H H 12 8.942 8.574 0.368 1
1 106 . 13 1 1 A 12 12 ILE HA H 12 4.034 4.231 -0.197 1
1 116 . 13 1 1 A 12 12 ILE CA C 12 58.894 61.794 -2.900 1
1 117 . 13 1 1 A 12 12 ILE CB C 12 33.240 36.982 -3.742 1
1 121 . 13 1 1 A 12 12 ILE N N 12 128.622 126.083 2.539 1
1 122 . 13 1 1 A 13 13 THR H H 13 6.818 8.352 -1.534 1
1 123 . 13 1 1 A 13 13 THR HA H 13 4.429 4.943 -0.514 1
1 128 . 13 1 1 A 13 13 THR CA C 13 60.052 59.409 0.643 1
1 129 . 13 1 1 A 13 13 THR CB C 13 70.842 71.190 -0.348 1
1 131 . 13 1 1 A 13 13 THR N N 13 119.687 118.430 1.257 1
1 132 . 13 1 1 A 14 14 GLU H H 14 8.969 8.981 -0.012 1
1 133 . 13 1 1 A 14 14 GLU HA H 14 4.024 4.023 0.001 1
1 138 . 13 1 1 A 14 14 GLU CA C 14 59.794 60.224 -0.430 1
1 139 . 13 1 1 A 14 14 GLU CB C 14 28.845 29.447 -0.602 1
1 141 . 13 1 1 A 14 14 GLU N N 14 123.290 123.259 0.031 1
1 142 . 13 1 1 A 15 15 ALA H H 15 8.334 7.782 0.552 1
1 143 . 13 1 1 A 15 15 ALA HA H 15 4.151 4.220 -0.069 1
1 147 . 13 1 1 A 15 15 ALA CA C 15 55.076 55.301 -0.225 1
1 148 . 13 1 1 A 15 15 ALA CB C 15 18.008 18.407 -0.399 1
1 149 . 13 1 1 A 15 15 ALA N N 15 121.958 122.291 -0.333 1
1 150 . 13 1 1 A 16 16 LEU H H 16 7.765 8.269 -0.504 1
1 151 . 13 1 1 A 16 16 LEU HA H 16 4.240 4.325 -0.085 1
1 161 . 13 1 1 A 16 16 LEU CA C 16 57.674 58.644 -0.970 1
1 162 . 13 1 1 A 16 16 LEU CB C 16 42.122 41.987 0.135 1
1 166 . 13 1 1 A 16 16 LEU N N 16 123.064 120.383 2.681 1
1 167 . 13 1 1 A 17 17 ARG H H 17 8.627 8.116 0.511 1
1 168 . 13 1 1 A 17 17 ARG HA H 17 3.595 4.122 -0.527 1
1 175 . 13 1 1 A 17 17 ARG CA C 17 60.573 59.027 1.546 1
1 176 . 13 1 1 A 17 17 ARG CB C 17 29.679 30.269 -0.590 1
1 179 . 13 1 1 A 17 17 ARG N N 17 121.878 118.381 3.497 1
1 180 . 13 1 1 A 18 18 GLU H H 18 8.665 8.531 0.134 1
1 181 . 13 1 1 A 18 18 GLU HA H 18 3.952 4.046 -0.094 1
1 186 . 13 1 1 A 18 18 GLU CA C 18 59.654 59.584 0.070 1
1 187 . 13 1 1 A 18 18 GLU CB C 18 29.301 29.560 -0.259 1
1 189 . 13 1 1 A 18 18 GLU N N 18 123.257 119.662 3.595 1
1 190 . 13 1 1 A 19 19 PHE H H 19 8.026 8.225 -0.199 1
1 191 . 13 1 1 A 19 19 PHE HA H 19 4.258 4.061 0.197 1
1 195 . 13 1 1 A 19 19 PHE CA C 19 61.640 61.256 0.384 1
1 196 . 13 1 1 A 19 19 PHE CB C 19 39.547 39.087 0.460 1
1 198 . 13 1 1 A 19 19 PHE N N 19 123.888 120.471 3.417 1
1 199 . 13 1 1 A 20 20 VAL H H 20 8.734 8.119 0.615 1
1 200 . 13 1 1 A 20 20 VAL HA H 20 3.336 3.498 -0.162 1
1 208 . 13 1 1 A 20 20 VAL CA C 20 67.245 66.518 0.727 1
1 209 . 13 1 1 A 20 20 VAL CB C 20 31.965 31.676 0.289 1
1 212 . 13 1 1 A 20 20 VAL N N 20 119.762 118.784 0.978 1
1 213 . 13 1 1 A 21 21 THR H H 21 8.213 8.345 -0.132 1
1 214 . 13 1 1 A 21 21 THR HA H 21 3.615 3.941 -0.326 1
1 218 . 13 1 1 A 21 21 THR CA C 21 67.657 66.426 1.231 1
1 219 . 13 1 1 A 21 21 THR CB C 21 68.697 68.280 0.417 1
1 221 . 13 1 1 A 21 21 THR N N 21 117.446 114.540 2.906 1
1 222 . 13 1 1 A 22 22 ALA H H 22 8.050 8.448 -0.398 1
1 223 . 13 1 1 A 22 22 ALA HA H 22 4.084 3.968 0.116 1
1 227 . 13 1 1 A 22 22 ALA CA C 22 54.998 55.535 -0.537 1
1 228 . 13 1 1 A 22 22 ALA CB C 22 17.880 18.537 -0.657 1
1 229 . 13 1 1 A 22 22 ALA N N 22 125.291 123.250 2.041 1
1 230 . 13 1 1 A 23 23 LYS H H 23 7.868 7.447 0.421 1
1 231 . 13 1 1 A 23 23 LYS HA H 23 3.886 3.865 0.021 1
1 240 . 13 1 1 A 23 23 LYS CA C 23 57.286 58.713 -1.427 1
1 241 . 13 1 1 A 23 23 LYS CB C 23 30.651 32.306 -1.655 1
1 245 . 13 1 1 A 23 23 LYS N N 23 119.332 117.456 1.876 1
1 246 . 13 1 1 A 24 24 PHE H H 24 8.369 8.190 0.179 1
1 247 . 13 1 1 A 24 24 PHE HA H 24 3.805 4.457 -0.652 1
1 252 . 13 1 1 A 24 24 PHE CA C 24 62.055 60.390 1.665 1
1 253 . 13 1 1 A 24 24 PHE CB C 24 38.744 38.571 0.173 1
1 256 . 13 1 1 A 24 24 PHE N N 24 119.142 118.952 0.190 1
1 257 . 13 1 1 A 25 25 ALA H H 25 7.879 8.389 -0.510 1
1 258 . 13 1 1 A 25 25 ALA HA H 25 4.140 4.103 0.037 1
1 262 . 13 1 1 A 25 25 ALA CA C 25 55.014 55.379 -0.365 1
1 263 . 13 1 1 A 25 25 ALA CB C 25 17.773 18.143 -0.370 1
1 264 . 13 1 1 A 25 25 ALA N N 25 123.500 121.677 1.823 1
1 265 . 13 1 1 A 26 26 LYS H H 26 7.217 7.586 -0.369 1
1 266 . 13 1 1 A 26 26 LYS HA H 26 4.024 3.884 0.140 1
1 275 . 13 1 1 A 26 26 LYS CA C 26 58.189 58.732 -0.543 1
1 276 . 13 1 1 A 26 26 LYS CB C 26 32.033 32.056 -0.023 1
1 280 . 13 1 1 A 26 26 LYS N N 26 118.541 117.555 0.986 1
1 281 . 13 1 1 A 27 27 LEU H H 27 7.773 7.932 -0.159 1
1 282 . 13 1 1 A 27 27 LEU HA H 27 4.257 3.124 1.133 1
1 292 . 13 1 1 A 27 27 LEU CA C 27 55.889 56.572 -0.683 1
1 293 . 13 1 1 A 27 27 LEU CB C 27 41.083 41.506 -0.423 1
1 297 . 13 1 1 A 27 27 LEU N N 27 118.340 119.817 -1.477 1
1 298 . 13 1 1 A 28 28 GLU H H 28 7.296 8.222 -0.926 1
1 299 . 13 1 1 A 28 28 GLU HA H 28 3.489 4.294 -0.805 1
1 304 . 13 1 1 A 28 28 GLU CA C 28 58.336 58.824 -0.488 1
1 305 . 13 1 1 A 28 28 GLU CB C 28 29.265 29.520 -0.255 1
1 307 . 13 1 1 A 28 28 GLU N N 28 119.557 119.448 0.109 1
1 308 . 13 1 1 A 29 29 GLN H H 29 7.783 7.578 0.205 1
1 309 . 13 1 1 A 29 29 GLN HA H 29 3.923 3.956 -0.033 1
1 314 . 13 1 1 A 29 29 GLN CA C 29 57.387 58.344 -0.957 1
1 315 . 13 1 1 A 29 29 GLN CB C 29 28.082 28.749 -0.667 1
1 317 . 13 1 1 A 29 29 GLN N N 29 117.927 119.880 -1.953 1
1 318 . 13 1 1 A 30 30 TYR H H 30 7.731 6.982 0.749 1
1 319 . 13 1 1 A 30 30 TYR HA H 30 4.433 4.415 0.018 1
1 324 . 13 1 1 A 30 30 TYR CA C 30 58.371 58.202 0.169 1
1 325 . 13 1 1 A 30 30 TYR CB C 30 39.297 38.450 0.847 1
1 328 . 13 1 1 A 30 30 TYR N N 30 118.639 118.958 -0.319 1
1 329 . 13 1 1 A 31 31 PHE H H 31 7.652 7.718 -0.066 1
1 330 . 13 1 1 A 31 31 PHE HA H 31 4.605 5.001 -0.396 1
1 334 . 13 1 1 A 31 31 PHE CA C 31 58.507 57.586 0.921 1
1 335 . 13 1 1 A 31 31 PHE CB C 31 40.438 40.154 0.284 1
1 337 . 13 1 1 A 31 31 PHE N N 31 119.753 119.884 -0.131 1
1 338 . 13 1 1 A 32 32 ASP H H 32 8.087 8.866 -0.779 1
1 339 . 13 1 1 A 32 32 ASP HA H 32 4.465 5.049 -0.584 1
1 342 . 13 1 1 A 32 32 ASP CA C 32 55.094 53.918 1.176 1
1 343 . 13 1 1 A 32 32 ASP CB C 32 40.511 41.458 -0.947 1
1 344 . 13 1 1 A 32 32 ASP N N 32 121.865 123.740 -1.875 1
1 345 . 13 1 1 A 33 33 ARG H H 33 7.083 7.865 -0.782 1
1 346 . 13 1 1 A 33 33 ARG HA H 33 4.412 4.487 -0.075 1
1 353 . 13 1 1 A 33 33 ARG CA C 33 55.082 55.219 -0.137 1
1 354 . 13 1 1 A 33 33 ARG CB C 33 30.409 29.018 1.391 1
1 357 . 13 1 1 A 33 33 ARG N N 33 119.603 118.155 1.448 1
1 358 . 13 1 1 A 34 34 ILE H H 34 8.139 8.043 0.096 1
1 359 . 13 1 1 A 34 34 ILE HA H 34 4.051 4.815 -0.764 1
1 369 . 13 1 1 A 34 34 ILE CA C 34 61.543 60.902 0.641 1
1 370 . 13 1 1 A 34 34 ILE CB C 34 39.510 40.351 -0.841 1
1 374 . 13 1 1 A 34 34 ILE N N 34 123.576 124.134 -0.558 1
1 375 . 13 1 1 A 35 35 ASN H H 35 8.560 8.927 -0.367 1
1 376 . 13 1 1 A 35 35 ASN HA H 35 4.870 4.912 -0.042 1
1 379 . 13 1 1 A 35 35 ASN CA C 35 53.877 54.182 -0.305 1
1 380 . 13 1 1 A 35 35 ASN CB C 35 38.806 39.075 -0.269 1
1 381 . 13 1 1 A 35 35 ASN N N 35 126.934 123.193 3.741 1
1 382 . 13 1 1 A 36 36 GLN H H 36 7.843 8.027 -0.184 1
1 383 . 13 1 1 A 36 36 GLN HA H 36 4.519 5.054 -0.535 1
1 388 . 13 1 1 A 36 36 GLN CA C 36 56.345 54.605 1.740 1
1 389 . 13 1 1 A 36 36 GLN CB C 36 31.240 31.997 -0.757 1
1 391 . 13 1 1 A 36 36 GLN N N 36 120.673 118.022 2.651 1
1 392 . 13 1 1 A 37 37 VAL H H 37 8.330 8.974 -0.644 1
1 393 . 13 1 1 A 37 37 VAL HA H 37 4.693 5.081 -0.388 1
1 401 . 13 1 1 A 37 37 VAL CA C 37 60.789 59.878 0.911 1
1 402 . 13 1 1 A 37 37 VAL CB C 37 34.740 35.170 -0.430 1
1 405 . 13 1 1 A 37 37 VAL N N 37 123.403 120.463 2.940 1
1 406 . 13 1 1 A 38 38 TYR H H 38 8.943 8.120 0.823 1
1 407 . 13 1 1 A 38 38 TYR HA H 38 5.039 5.973 -0.934 1
1 412 . 13 1 1 A 38 38 TYR CA C 38 57.028 55.344 1.684 1
1 413 . 13 1 1 A 38 38 TYR CB C 38 39.705 42.504 -2.799 1
1 416 . 13 1 1 A 38 38 TYR N N 38 129.202 120.400 8.802 1
1 417 . 13 1 1 A 39 39 VAL H H 39 9.053 8.759 0.294 1
1 418 . 13 1 1 A 39 39 VAL HA H 39 5.048 5.097 -0.049 1
1 426 . 13 1 1 A 39 39 VAL CA C 39 60.685 60.611 0.074 1
1 427 . 13 1 1 A 39 39 VAL CB C 39 34.107 35.638 -1.531 1
1 430 . 13 1 1 A 39 39 VAL N N 39 127.771 121.794 5.977 1
1 431 . 13 1 1 A 40 40 VAL H H 40 9.276 8.978 0.298 1
1 432 . 13 1 1 A 40 40 VAL HA H 40 4.862 4.771 0.091 1
1 440 . 13 1 1 A 40 40 VAL CA C 40 60.896 60.978 -0.082 1
1 441 . 13 1 1 A 40 40 VAL CB C 40 34.411 35.744 -1.333 1
1 444 . 13 1 1 A 40 40 VAL N N 40 130.939 126.245 4.694 1
1 445 . 13 1 1 A 41 41 LEU H H 41 8.714 8.374 0.340 1
1 446 . 13 1 1 A 41 41 LEU HA H 41 5.111 5.701 -0.590 1
1 456 . 13 1 1 A 41 41 LEU CA C 41 53.150 53.062 0.088 1
1 457 . 13 1 1 A 41 41 LEU CB C 41 42.538 44.942 -2.404 1
1 461 . 13 1 1 A 41 41 LEU N N 41 130.200 125.649 4.551 1
1 462 . 13 1 1 A 42 42 LYS H H 42 8.955 9.832 -0.877 1
1 463 . 13 1 1 A 42 42 LYS HA H 42 5.180 5.580 -0.400 1
1 472 . 13 1 1 A 42 42 LYS CA C 42 55.017 54.789 0.228 1
1 473 . 13 1 1 A 42 42 LYS CB C 42 36.649 34.747 1.902 1
1 477 . 13 1 1 A 42 42 LYS N N 42 124.155 123.413 0.742 1
1 478 . 13 1 1 A 43 43 VAL H H 43 7.515 8.623 -1.108 1
1 479 . 13 1 1 A 43 43 VAL HA H 43 4.360 4.309 0.051 1
1 487 . 13 1 1 A 43 43 VAL CA C 43 61.230 61.329 -0.099 1
1 488 . 13 1 1 A 43 43 VAL CB C 43 33.656 33.605 0.051 1
1 491 . 13 1 1 A 43 43 VAL N N 43 124.332 124.963 -0.631 1
1 492 . 13 1 1 A 44 44 GLU H H 44 8.092 8.070 0.022 1
1 493 . 13 1 1 A 44 44 GLU HA H 44 4.368 4.828 -0.460 1
1 498 . 13 1 1 A 44 44 GLU CA C 44 55.445 54.406 1.039 1
1 499 . 13 1 1 A 44 44 GLU CB C 44 31.404 33.016 -1.612 1
1 501 . 13 1 1 A 44 44 GLU N N 44 130.594 127.154 3.440 1
1 502 . 13 1 1 A 45 45 LYS H H 45 8.982 8.857 0.125 1
1 503 . 13 1 1 A 45 45 LYS HA H 45 3.695 3.912 -0.217 1
1 512 . 13 1 1 A 45 45 LYS CA C 45 59.588 58.758 0.830 1
1 513 . 13 1 1 A 45 45 LYS CB C 45 30.077 32.202 -2.125 1
1 517 . 13 1 1 A 45 45 LYS N N 45 125.587 120.838 4.749 1
1 518 . 13 1 1 A 46 46 VAL H H 46 7.710 7.382 0.328 1
1 519 . 13 1 1 A 46 46 VAL HA H 46 4.346 4.155 0.191 1
1 527 . 13 1 1 A 46 46 VAL CA C 46 61.342 63.838 -2.496 1
1 528 . 13 1 1 A 46 46 VAL CB C 46 31.917 31.994 -0.077 1
1 531 . 13 1 1 A 46 46 VAL N N 46 115.763 113.498 2.265 1
1 532 . 13 1 1 A 47 47 THR H H 47 8.151 7.798 0.353 1
1 533 . 13 1 1 A 47 47 THR HA H 47 4.397 5.244 -0.847 1
1 538 . 13 1 1 A 47 47 THR CA C 47 63.072 61.374 1.698 1
1 539 . 13 1 1 A 47 47 THR CB C 47 69.615 72.178 -2.563 1
1 541 . 13 1 1 A 47 47 THR N N 47 120.888 113.542 7.346 1
1 542 . 13 1 1 A 48 48 HIS H H 48 8.753 9.348 -0.595 1
1 543 . 13 1 1 A 48 48 HIS HA H 48 4.826 5.065 -0.239 1
1 547 . 13 1 1 A 48 48 HIS CA C 48 55.978 55.411 0.567 1
1 548 . 13 1 1 A 48 48 HIS CB C 48 30.476 31.183 -0.707 1
1 550 . 13 1 1 A 48 48 HIS N N 48 130.755 123.109 7.646 1
1 551 . 13 1 1 A 49 49 THR H H 49 9.136 8.465 0.671 1
1 552 . 13 1 1 A 49 49 THR HA H 49 5.245 5.132 0.113 1
1 557 . 13 1 1 A 49 49 THR CA C 49 60.941 61.199 -0.258 1
1 558 . 13 1 1 A 49 49 THR CB C 49 71.411 70.808 0.603 1
1 560 . 13 1 1 A 49 49 THR N N 49 118.522 117.700 0.822 1
1 561 . 13 1 1 A 50 50 SER H H 50 9.050 9.200 -0.150 1
1 562 . 13 1 1 A 50 50 SER HA H 50 5.348 5.676 -0.328 1
1 565 . 13 1 1 A 50 50 SER CA C 50 55.645 56.765 -1.120 1
1 566 . 13 1 1 A 50 50 SER CB C 50 66.579 65.912 0.667 1
1 567 . 13 1 1 A 50 50 SER N N 50 119.749 121.032 -1.283 1
1 568 . 13 1 1 A 51 51 ASP H H 51 8.843 9.491 -0.648 1
1 569 . 13 1 1 A 51 51 ASP HA H 51 5.363 5.631 -0.268 1
1 572 . 13 1 1 A 51 51 ASP CA C 51 52.879 52.130 0.749 1
1 573 . 13 1 1 A 51 51 ASP CB C 51 45.173 44.660 0.513 1
1 574 . 13 1 1 A 51 51 ASP N N 51 126.330 121.729 4.601 1
1 575 . 13 1 1 A 52 52 ALA H H 52 8.938 9.411 -0.473 1
1 576 . 13 1 1 A 52 52 ALA HA H 52 5.777 5.262 0.515 1
1 580 . 13 1 1 A 52 52 ALA CA C 52 50.806 50.975 -0.169 1
1 581 . 13 1 1 A 52 52 ALA CB C 52 24.676 23.026 1.650 1
1 582 . 13 1 1 A 52 52 ALA N N 52 122.789 122.041 0.748 1
1 583 . 13 1 1 A 53 53 THR H H 53 8.666 8.417 0.249 1
1 584 . 13 1 1 A 53 53 THR HA H 53 4.979 5.174 -0.195 1
1 589 . 13 1 1 A 53 53 THR CA C 53 62.026 61.534 0.492 1
1 590 . 13 1 1 A 53 53 THR CB C 53 70.850 70.862 -0.012 1
1 592 . 13 1 1 A 53 53 THR N N 53 118.344 116.048 2.296 1
1 593 . 13 1 1 A 54 54 LEU H H 54 9.662 8.999 0.663 1
1 594 . 13 1 1 A 54 54 LEU HA H 54 4.921 5.118 -0.197 1
1 604 . 13 1 1 A 54 54 LEU CA C 54 53.923 53.913 0.010 1
1 605 . 13 1 1 A 54 54 LEU CB C 54 43.782 44.419 -0.637 1
1 609 . 13 1 1 A 54 54 LEU N N 54 129.166 127.626 1.540 1
1 610 . 13 1 1 A 55 55 HIS H H 55 8.956 8.714 0.242 1
1 611 . 13 1 1 A 55 55 HIS HA H 55 4.882 5.137 -0.255 1
1 615 . 13 1 1 A 55 55 HIS CA C 55 56.326 54.941 1.385 1
1 616 . 13 1 1 A 55 55 HIS CB C 55 30.431 32.005 -1.574 1
1 618 . 13 1 1 A 55 55 HIS N N 55 126.094 121.807 4.287 1
1 619 . 13 1 1 A 56 56 VAL H H 56 8.151 8.442 -0.291 1
1 620 . 13 1 1 A 56 56 VAL HA H 56 4.856 4.765 0.091 1
1 628 . 13 1 1 A 56 56 VAL CA C 56 58.734 59.036 -0.302 1
1 629 . 13 1 1 A 56 56 VAL CB C 56 34.523 35.733 -1.210 1
1 632 . 13 1 1 A 56 56 VAL N N 56 120.242 116.142 4.100 1
1 633 . 13 1 1 A 57 57 ASN H H 57 8.970 8.795 0.175 1
1 634 . 13 1 1 A 57 57 ASN HA H 57 4.463 4.411 0.052 1
1 637 . 13 1 1 A 57 57 ASN CA C 57 54.963 54.719 0.244 1
1 638 . 13 1 1 A 57 57 ASN CB C 57 37.481 37.694 -0.213 1
1 639 . 13 1 1 A 57 57 ASN N N 57 124.652 120.513 4.139 1
1 640 . 13 1 1 A 58 58 GLY H H 58 8.868 8.650 0.218 1
1 641 . 13 1 1 A 58 58 GLY HA2 H 58 3.814 4.027 -0.213 1
1 642 . 13 1 1 A 58 58 GLY HA3 H 58 4.152 4.042 0.110 1
1 643 . 13 1 1 A 58 58 GLY CA C 58 45.606 45.005 0.601 1
1 644 . 13 1 1 A 58 58 GLY N N 58 112.816 111.795 1.021 1
1 645 . 13 1 1 A 59 59 GLY H H 59 7.848 7.127 0.721 1
1 646 . 13 1 1 A 59 59 GLY HA2 H 59 3.978 3.965 0.013 1
1 647 . 13 1 1 A 59 59 GLY HA3 H 59 4.153 3.988 0.165 1
1 648 . 13 1 1 A 59 59 GLY CA C 59 45.321 45.906 -0.585 1
1 649 . 13 1 1 A 59 59 GLY N N 59 109.857 107.783 2.074 1
1 650 . 13 1 1 A 60 60 GLU H H 60 8.262 8.685 -0.423 1
1 651 . 13 1 1 A 60 60 GLU HA H 60 5.110 4.896 0.214 1
1 656 . 13 1 1 A 60 60 GLU CA C 60 54.756 54.618 0.138 1
1 657 . 13 1 1 A 60 60 GLU CB C 60 32.933 33.544 -0.611 1
1 659 . 13 1 1 A 60 60 GLU N N 60 121.732 119.097 2.635 1
1 660 . 13 1 1 A 61 61 ILE H H 61 8.764 8.566 0.198 1
1 661 . 13 1 1 A 61 61 ILE HA H 61 4.286 4.854 -0.568 1
1 671 . 13 1 1 A 61 61 ILE CA C 61 59.713 60.220 -0.507 1
1 672 . 13 1 1 A 61 61 ILE CB C 61 41.194 39.657 1.537 1
1 676 . 13 1 1 A 61 61 ILE N N 61 124.817 123.941 0.876 1
1 677 . 13 1 1 A 62 62 HIS H H 62 8.907 8.874 0.033 1
1 678 . 13 1 1 A 62 62 HIS HA H 62 5.743 5.324 0.419 1
1 682 . 13 1 1 A 62 62 HIS CA C 62 54.009 53.579 0.430 1
1 683 . 13 1 1 A 62 62 HIS CB C 62 32.365 33.111 -0.746 1
1 685 . 13 1 1 A 62 62 HIS N N 62 127.338 126.968 0.370 1
1 686 . 13 1 1 A 63 63 ALA H H 63 8.298 9.210 -0.912 1
1 687 . 13 1 1 A 63 63 ALA HA H 63 4.480 5.234 -0.754 1
1 691 . 13 1 1 A 63 63 ALA CA C 63 51.764 49.933 1.831 1
1 692 . 13 1 1 A 63 63 ALA CB C 63 23.678 22.976 0.702 1
1 693 . 13 1 1 A 63 63 ALA N N 63 125.511 130.324 -4.813 1
1 694 . 13 1 1 A 64 64 SER H H 64 8.070 8.733 -0.663 1
1 695 . 13 1 1 A 64 64 SER HA H 64 5.286 5.254 0.032 1
1 698 . 13 1 1 A 64 64 SER CA C 64 56.782 56.865 -0.083 1
1 699 . 13 1 1 A 64 64 SER CB C 64 65.895 66.045 -0.150 1
1 700 . 13 1 1 A 64 64 SER N N 64 114.469 114.438 0.031 1
1 701 . 13 1 1 A 65 65 ALA H H 65 8.904 9.211 -0.307 1
1 702 . 13 1 1 A 65 65 ALA HA H 65 4.669 5.032 -0.363 1
1 706 . 13 1 1 A 65 65 ALA CA C 65 51.753 50.995 0.758 1
1 707 . 13 1 1 A 65 65 ALA CB C 65 22.599 24.200 -1.601 1
1 708 . 13 1 1 A 65 65 ALA N N 65 126.977 124.433 2.544 1
1 709 . 13 1 1 A 66 66 GLU H H 66 8.200 9.038 -0.838 1
1 710 . 13 1 1 A 66 66 GLU HA H 66 5.680 5.347 0.333 1
1 715 . 13 1 1 A 66 66 GLU CA C 66 53.650 54.639 -0.989 1
1 716 . 13 1 1 A 66 66 GLU CB C 66 33.741 34.104 -0.363 1
1 718 . 13 1 1 A 66 66 GLU N N 66 119.267 117.049 2.218 1
1 719 . 13 1 1 A 67 67 GLY H H 67 8.836 8.377 0.459 1
1 720 . 13 1 1 A 67 67 GLY HA2 H 67 4.490 4.255 0.235 1
1 721 . 13 1 1 A 67 67 GLY HA3 H 67 3.728 4.263 -0.535 1
1 722 . 13 1 1 A 67 67 GLY CA C 67 45.157 45.240 -0.083 1
1 723 . 13 1 1 A 67 67 GLY N N 67 108.048 106.638 1.410 1
1 724 . 13 1 1 A 68 68 GLN H H 68 8.997 8.727 0.270 1
1 725 . 13 1 1 A 68 68 GLN HA H 68 4.440 4.048 0.392 1
1 730 . 13 1 1 A 68 68 GLN CA C 68 56.996 57.751 -0.755 1
1 731 . 13 1 1 A 68 68 GLN CB C 68 28.694 29.212 -0.518 1
1 733 . 13 1 1 A 68 68 GLN N N 68 119.961 119.534 0.427 1
1 734 . 13 1 1 A 69 69 ASP H H 69 7.542 7.433 0.109 1
1 735 . 13 1 1 A 69 69 ASP HA H 69 3.242 4.132 -0.890 1
1 738 . 13 1 1 A 69 69 ASP CA C 69 51.838 52.676 -0.838 1
1 739 . 13 1 1 A 69 69 ASP CB C 69 42.829 42.169 0.660 1
1 740 . 13 1 1 A 69 69 ASP N N 69 115.279 114.265 1.014 1
1 741 . 13 1 1 A 70 70 MET H H 70 8.409 8.697 -0.288 1
1 742 . 13 1 1 A 70 70 MET HA H 70 4.200 4.325 -0.125 1
1 747 . 13 1 1 A 70 70 MET CA C 70 56.505 58.139 -1.634 1
1 748 . 13 1 1 A 70 70 MET CB C 70 31.533 32.655 -1.122 1
1 750 . 13 1 1 A 70 70 MET N N 70 120.495 118.555 1.940 1
1 751 . 13 1 1 A 71 71 TYR H H 71 7.304 7.628 -0.324 1
1 752 . 13 1 1 A 71 71 TYR HA H 71 3.832 4.327 -0.495 1
1 757 . 13 1 1 A 71 71 TYR CA C 71 60.141 60.550 -0.409 1
1 758 . 13 1 1 A 71 71 TYR CB C 71 35.788 38.829 -3.041 1
1 761 . 13 1 1 A 71 71 TYR N N 71 120.024 117.768 2.256 1
1 762 . 13 1 1 A 72 72 ALA H H 72 8.474 8.388 0.086 1
1 763 . 13 1 1 A 72 72 ALA HA H 72 4.213 3.962 0.251 1
1 767 . 13 1 1 A 72 72 ALA CA C 72 54.526 55.226 -0.700 1
1 768 . 13 1 1 A 72 72 ALA CB C 72 18.884 18.170 0.714 1
1 769 . 13 1 1 A 72 72 ALA N N 72 123.384 122.887 0.497 1
1 770 . 13 1 1 A 73 73 ALA H H 73 7.595 7.923 -0.328 1
1 771 . 13 1 1 A 73 73 ALA HA H 73 3.731 4.143 -0.412 1
1 775 . 13 1 1 A 73 73 ALA CA C 73 55.647 54.906 0.741 1
1 776 . 13 1 1 A 73 73 ALA CB C 73 17.460 18.583 -1.123 1
1 777 . 13 1 1 A 73 73 ALA N N 73 123.415 119.882 3.533 1
1 778 . 13 1 1 A 74 74 ILE H H 74 7.958 7.961 -0.003 1
1 779 . 13 1 1 A 74 74 ILE HA H 74 3.692 3.739 -0.047 1
1 789 . 13 1 1 A 74 74 ILE CA C 74 63.902 65.099 -1.197 1
1 790 . 13 1 1 A 74 74 ILE CB C 74 37.010 36.800 0.210 1
1 794 . 13 1 1 A 74 74 ILE N N 74 119.834 118.962 0.872 1
1 795 . 13 1 1 A 75 75 ASP H H 75 8.468 8.263 0.205 1
1 796 . 13 1 1 A 75 75 ASP HA H 75 4.282 4.306 -0.024 1
1 799 . 13 1 1 A 75 75 ASP CA C 75 58.107 57.334 0.773 1
1 800 . 13 1 1 A 75 75 ASP CB C 75 40.628 40.761 -0.133 1
1 801 . 13 1 1 A 75 75 ASP N N 75 122.091 121.375 0.716 1
1 802 . 13 1 1 A 76 76 GLY H H 76 8.041 8.239 -0.198 1
1 803 . 13 1 1 A 76 76 GLY HA2 H 76 3.845 3.693 0.152 1
1 804 . 13 1 1 A 76 76 GLY HA3 H 76 3.863 3.699 0.164 1
1 805 . 13 1 1 A 76 76 GLY CA C 76 46.668 47.219 -0.551 1
1 806 . 13 1 1 A 76 76 GLY N N 76 108.081 107.889 0.192 1
1 807 . 13 1 1 A 77 77 LEU H H 77 8.088 7.984 0.104 1
1 808 . 13 1 1 A 77 77 LEU HA H 77 3.709 4.180 -0.471 1
1 818 . 13 1 1 A 77 77 LEU CA C 77 57.865 57.399 0.466 1
1 819 . 13 1 1 A 77 77 LEU CB C 77 41.828 41.752 0.076 1
1 823 . 13 1 1 A 77 77 LEU N N 77 126.711 123.074 3.637 1
1 824 . 13 1 1 A 78 78 ILE H H 78 8.155 8.384 -0.229 1
1 825 . 13 1 1 A 78 78 ILE HA H 78 3.316 3.703 -0.387 1
1 835 . 13 1 1 A 78 78 ILE CA C 78 62.813 63.775 -0.962 1
1 836 . 13 1 1 A 78 78 ILE CB C 78 34.810 37.234 -2.424 1
1 840 . 13 1 1 A 78 78 ILE N N 78 120.409 119.310 1.099 1
1 841 . 13 1 1 A 79 79 ASP H H 79 7.408 7.760 -0.352 1
1 842 . 13 1 1 A 79 79 ASP HA H 79 4.274 4.333 -0.059 1
1 845 . 13 1 1 A 79 79 ASP CA C 79 57.605 56.914 0.691 1
1 846 . 13 1 1 A 79 79 ASP CB C 79 41.017 40.782 0.235 1
1 847 . 13 1 1 A 79 79 ASP N N 79 120.497 122.621 -2.124 1
1 848 . 13 1 1 A 80 80 LYS H H 80 7.536 7.476 0.060 1
1 849 . 13 1 1 A 80 80 LYS HA H 80 3.931 4.012 -0.081 1
1 858 . 13 1 1 A 80 80 LYS CA C 80 59.952 59.691 0.261 1
1 859 . 13 1 1 A 80 80 LYS CB C 80 33.221 32.410 0.811 1
1 863 . 13 1 1 A 80 80 LYS N N 80 119.684 118.158 1.526 1
1 864 . 13 1 1 A 81 81 LEU H H 81 8.473 7.945 0.528 1
1 865 . 13 1 1 A 81 81 LEU HA H 81 3.765 3.917 -0.152 1
1 875 . 13 1 1 A 81 81 LEU CA C 81 57.564 57.860 -0.296 1
1 876 . 13 1 1 A 81 81 LEU CB C 81 42.473 41.397 1.076 1
1 880 . 13 1 1 A 81 81 LEU N N 81 121.519 120.359 1.160 1
1 881 . 13 1 1 A 82 82 ALA H H 82 8.682 8.154 0.528 1
1 882 . 13 1 1 A 82 82 ALA HA H 82 3.479 4.409 -0.930 1
1 886 . 13 1 1 A 82 82 ALA CA C 82 55.731 55.721 0.010 1
1 887 . 13 1 1 A 82 82 ALA CB C 82 17.388 18.505 -1.117 1
1 888 . 13 1 1 A 82 82 ALA N N 82 123.814 120.585 3.229 1
1 889 . 13 1 1 A 83 83 ARG H H 83 7.329 7.799 -0.470 1
1 890 . 13 1 1 A 83 83 ARG HA H 83 3.981 4.070 -0.089 1
1 897 . 13 1 1 A 83 83 ARG CA C 83 59.137 59.733 -0.596 1
1 898 . 13 1 1 A 83 83 ARG CB C 83 29.971 30.111 -0.140 1
1 901 . 13 1 1 A 83 83 ARG N N 83 118.219 117.801 0.418 1
1 902 . 13 1 1 A 84 84 GLN H H 84 7.750 7.583 0.167 1
1 903 . 13 1 1 A 84 84 GLN HA H 84 4.047 4.055 -0.008 1
1 906 . 13 1 1 A 84 84 GLN CA C 84 58.685 58.452 0.233 1
1 907 . 13 1 1 A 84 84 GLN CB C 84 29.903 28.325 1.578 1
1 909 . 13 1 1 A 84 84 GLN N N 84 119.887 119.097 0.790 1
1 910 . 13 1 1 A 85 85 LEU H H 85 8.610 8.384 0.226 1
1 911 . 13 1 1 A 85 85 LEU HA H 85 3.788 3.566 0.222 1
1 920 . 13 1 1 A 85 85 LEU CA C 85 57.600 57.342 0.258 1
1 921 . 13 1 1 A 85 85 LEU CB C 85 41.178 40.560 0.618 1
1 925 . 13 1 1 A 85 85 LEU N N 85 122.951 120.054 2.897 1
1 926 . 13 1 1 A 86 86 THR H H 86 7.709 8.220 -0.511 1
1 927 . 13 1 1 A 86 86 THR HA H 86 4.056 3.991 0.065 1
1 932 . 13 1 1 A 86 86 THR CA C 86 65.924 67.106 -1.182 1
1 933 . 13 1 1 A 86 86 THR CB C 86 68.870 68.323 0.547 1
1 935 . 13 1 1 A 86 86 THR N N 86 116.282 115.187 1.095 1
1 936 . 13 1 1 A 87 87 LYS H H 87 7.457 7.683 -0.226 1
1 937 . 13 1 1 A 87 87 LYS HA H 87 4.102 3.900 0.202 1
1 946 . 13 1 1 A 87 87 LYS CA C 87 58.289 59.403 -1.114 1
1 947 . 13 1 1 A 87 87 LYS CB C 87 32.293 32.235 0.058 1
1 951 . 13 1 1 A 87 87 LYS N N 87 122.670 119.859 2.811 1
1 952 . 13 1 1 A 88 88 HIS H H 88 7.928 8.001 -0.073 1
1 953 . 13 1 1 A 88 88 HIS HA H 88 4.301 4.286 0.015 1
1 957 . 13 1 1 A 88 88 HIS CA C 88 58.361 58.796 -0.435 1
1 958 . 13 1 1 A 88 88 HIS CB C 88 30.766 28.574 2.192 1
1 960 . 13 1 1 A 88 88 HIS N N 88 121.382 117.279 4.103 1
1 961 . 13 1 1 A 89 89 LYS H H 89 7.928 7.947 -0.019 1
1 962 . 13 1 1 A 89 89 LYS HA H 89 3.934 3.970 -0.036 1
1 971 . 13 1 1 A 89 89 LYS CA C 89 58.568 58.830 -0.262 1
1 972 . 13 1 1 A 89 89 LYS CB C 89 32.489 31.647 0.842 1
1 976 . 13 1 1 A 89 89 LYS N N 89 121.821 121.282 0.539 1
1 977 . 13 1 1 A 90 90 ASP H H 90 8.143 8.042 0.101 1
1 978 . 13 1 1 A 90 90 ASP HA H 90 4.445 4.390 0.055 1
1 981 . 13 1 1 A 90 90 ASP CA C 90 55.869 57.053 -1.184 1
1 982 . 13 1 1 A 90 90 ASP CB C 90 40.715 40.695 0.020 1
1 983 . 13 1 1 A 90 90 ASP N N 90 121.199 119.609 1.590 1
1 984 . 13 1 1 A 91 91 LYS H H 91 7.867 7.694 0.173 1
1 985 . 13 1 1 A 91 91 LYS HA H 91 4.130 4.047 0.083 1
1 994 . 13 1 1 A 91 91 LYS CA C 91 57.421 58.804 -1.383 1
1 995 . 13 1 1 A 91 91 LYS CB C 91 32.365 32.468 -0.103 1
1 999 . 13 1 1 A 91 91 LYS N N 91 121.976 118.420 3.556 1
1 1000 . 13 1 1 A 92 92 LEU H H 92 7.709 7.680 0.029 1
1 1001 . 13 1 1 A 92 92 LEU HA H 92 4.171 4.497 -0.326 1
1 1011 . 13 1 1 A 92 92 LEU CA C 92 55.449 54.111 1.338 1
1 1012 . 13 1 1 A 92 92 LEU CB C 92 41.871 39.713 2.158 1
1 1016 . 13 1 1 A 92 92 LEU N N 92 121.802 118.574 3.228 1
1 1017 . 13 1 1 A 93 93 LYS H H 93 7.751 7.386 0.365 1
1 1018 . 13 1 1 A 93 93 LYS HA H 93 4.197 4.709 -0.512 1
1 1027 . 13 1 1 A 93 93 LYS CA C 93 56.420 54.331 2.089 1
1 1028 . 13 1 1 A 93 93 LYS CB C 93 32.792 35.670 -2.878 1
1 1032 . 13 1 1 A 93 93 LYS N N 93 121.954 121.987 -0.033 1
1 1033 . 13 1 1 A 94 94 GLN H H 94 8.129 8.290 -0.161 1
1 1034 . 13 1 1 A 94 94 GLN HA H 94 4.208 4.708 -0.500 1
1 1039 . 13 1 1 A 94 94 GLN CA C 94 55.891 54.367 1.524 1
1 1040 . 13 1 1 A 94 94 GLN CB C 94 29.236 28.590 0.646 1
1 1042 . 13 1 1 A 94 94 GLN N N 94 123.165 119.608 3.557 1
1 1 . 14 1 1 A 2 2 GLN H H 2 7.809 7.307 0.502 1
1 2 . 14 1 1 A 2 2 GLN HA H 2 4.394 4.707 -0.313 1
1 7 . 14 1 1 A 2 2 GLN CA C 2 55.124 54.595 0.529 1
1 8 . 14 1 1 A 2 2 GLN CB C 2 30.385 30.111 0.274 1
1 10 . 14 1 1 A 2 2 GLN N N 2 126.586 117.559 9.027 1
1 11 . 14 1 1 A 3 3 LEU H H 3 8.598 8.427 0.171 1
1 12 . 14 1 1 A 3 3 LEU HA H 3 4.380 4.430 -0.050 1
1 22 . 14 1 1 A 3 3 LEU CA C 3 54.590 54.257 0.333 1
1 23 . 14 1 1 A 3 3 LEU CB C 3 43.701 42.938 0.763 1
1 27 . 14 1 1 A 3 3 LEU N N 3 128.942 122.954 5.988 1
1 28 . 14 1 1 A 4 4 ASN H H 4 8.227 8.591 -0.364 1
1 29 . 14 1 1 A 4 4 ASN HA H 4 4.864 5.351 -0.487 1
1 32 . 14 1 1 A 4 4 ASN CA C 4 52.628 51.631 0.997 1
1 33 . 14 1 1 A 4 4 ASN CB C 4 41.258 42.352 -1.094 1
1 34 . 14 1 1 A 4 4 ASN N N 4 127.137 116.995 10.142 1
1 35 . 14 1 1 A 5 5 ILE H H 5 8.659 8.575 0.084 1
1 36 . 14 1 1 A 5 5 ILE HA H 5 4.901 5.030 -0.129 1
1 46 . 14 1 1 A 5 5 ILE CA C 5 60.288 59.953 0.335 1
1 47 . 14 1 1 A 5 5 ILE CB C 5 40.902 40.195 0.707 1
1 51 . 14 1 1 A 5 5 ILE N N 5 126.355 121.037 5.318 1
1 52 . 14 1 1 A 6 6 THR H H 6 8.796 8.704 0.092 1
1 53 . 14 1 1 A 6 6 THR HA H 6 4.654 4.887 -0.233 1
1 58 . 14 1 1 A 6 6 THR CA C 6 60.751 60.855 -0.104 1
1 59 . 14 1 1 A 6 6 THR CB C 6 71.993 71.546 0.447 1
1 61 . 14 1 1 A 6 6 THR N N 6 123.546 121.891 1.655 1
1 62 . 14 1 1 A 7 7 GLY H H 7 8.833 9.156 -0.323 1
1 63 . 14 1 1 A 7 7 GLY HA2 H 7 3.764 4.277 -0.513 1
1 64 . 14 1 1 A 7 7 GLY HA3 H 7 5.071 4.282 0.789 1
1 65 . 14 1 1 A 7 7 GLY CA C 7 44.318 44.042 0.276 1
1 66 . 14 1 1 A 7 7 GLY N N 7 112.240 114.878 -2.638 1
1 67 . 14 1 1 A 8 8 ASN H H 8 8.962 8.169 0.793 1
1 68 . 14 1 1 A 8 8 ASN HA H 8 4.828 5.470 -0.642 1
1 71 . 14 1 1 A 8 8 ASN CA C 8 52.799 51.674 1.125 1
1 72 . 14 1 1 A 8 8 ASN CB C 8 39.244 40.169 -0.925 1
1 73 . 14 1 1 A 8 8 ASN N N 8 124.384 117.576 6.808 1
1 74 . 14 1 1 A 9 9 ASN H H 9 8.756 9.132 -0.376 1
1 75 . 14 1 1 A 9 9 ASN HA H 9 4.248 4.296 -0.048 1
1 78 . 14 1 1 A 9 9 ASN CA C 9 53.998 54.254 -0.256 1
1 79 . 14 1 1 A 9 9 ASN CB C 9 37.231 37.633 -0.402 1
1 80 . 14 1 1 A 9 9 ASN N N 9 120.082 118.238 1.844 1
1 81 . 14 1 1 A 10 10 VAL H H 10 6.825 7.739 -0.914 1
1 82 . 14 1 1 A 10 10 VAL HA H 10 4.097 4.583 -0.486 1
1 90 . 14 1 1 A 10 10 VAL CA C 10 60.425 60.193 0.232 1
1 91 . 14 1 1 A 10 10 VAL CB C 10 34.765 35.226 -0.461 1
1 94 . 14 1 1 A 10 10 VAL N N 10 115.342 117.438 -2.096 1
1 95 . 14 1 1 A 11 11 GLU H H 11 8.347 8.698 -0.351 1
1 96 . 14 1 1 A 11 11 GLU HA H 11 4.174 4.818 -0.644 1
1 101 . 14 1 1 A 11 11 GLU CA C 11 55.442 55.955 -0.513 1
1 102 . 14 1 1 A 11 11 GLU CB C 11 30.114 30.934 -0.820 1
1 104 . 14 1 1 A 11 11 GLU N N 11 129.115 127.283 1.832 1
1 105 . 14 1 1 A 12 12 ILE H H 12 8.942 8.505 0.437 1
1 106 . 14 1 1 A 12 12 ILE HA H 12 4.034 4.317 -0.283 1
1 116 . 14 1 1 A 12 12 ILE CA C 12 58.894 61.635 -2.741 1
1 117 . 14 1 1 A 12 12 ILE CB C 12 33.240 37.279 -4.039 1
1 121 . 14 1 1 A 12 12 ILE N N 12 128.622 126.302 2.320 1
1 122 . 14 1 1 A 13 13 THR H H 13 6.818 8.273 -1.455 1
1 123 . 14 1 1 A 13 13 THR HA H 13 4.429 4.987 -0.558 1
1 128 . 14 1 1 A 13 13 THR CA C 13 60.052 59.345 0.707 1
1 129 . 14 1 1 A 13 13 THR CB C 13 70.842 71.313 -0.471 1
1 131 . 14 1 1 A 13 13 THR N N 13 119.687 117.845 1.842 1
1 132 . 14 1 1 A 14 14 GLU H H 14 8.969 9.048 -0.079 1
1 133 . 14 1 1 A 14 14 GLU HA H 14 4.024 3.964 0.060 1
1 138 . 14 1 1 A 14 14 GLU CA C 14 59.794 60.142 -0.348 1
1 139 . 14 1 1 A 14 14 GLU CB C 14 28.845 29.637 -0.792 1
1 141 . 14 1 1 A 14 14 GLU N N 14 123.290 122.878 0.412 1
1 142 . 14 1 1 A 15 15 ALA H H 15 8.334 7.794 0.540 1
1 143 . 14 1 1 A 15 15 ALA HA H 15 4.151 4.134 0.017 1
1 147 . 14 1 1 A 15 15 ALA CA C 15 55.076 55.248 -0.172 1
1 148 . 14 1 1 A 15 15 ALA CB C 15 18.008 18.533 -0.525 1
1 149 . 14 1 1 A 15 15 ALA N N 15 121.958 122.120 -0.162 1
1 150 . 14 1 1 A 16 16 LEU H H 16 7.765 8.073 -0.308 1
1 151 . 14 1 1 A 16 16 LEU HA H 16 4.240 4.335 -0.095 1
1 161 . 14 1 1 A 16 16 LEU CA C 16 57.674 58.864 -1.190 1
1 162 . 14 1 1 A 16 16 LEU CB C 16 42.122 42.027 0.095 1
1 166 . 14 1 1 A 16 16 LEU N N 16 123.064 119.991 3.073 1
1 167 . 14 1 1 A 17 17 ARG H H 17 8.627 8.177 0.450 1
1 168 . 14 1 1 A 17 17 ARG HA H 17 3.595 4.134 -0.539 1
1 175 . 14 1 1 A 17 17 ARG CA C 17 60.573 58.982 1.591 1
1 176 . 14 1 1 A 17 17 ARG CB C 17 29.679 30.096 -0.417 1
1 179 . 14 1 1 A 17 17 ARG N N 17 121.878 117.965 3.913 1
1 180 . 14 1 1 A 18 18 GLU H H 18 8.665 8.112 0.553 1
1 181 . 14 1 1 A 18 18 GLU HA H 18 3.952 4.090 -0.138 1
1 186 . 14 1 1 A 18 18 GLU CA C 18 59.654 59.487 0.167 1
1 187 . 14 1 1 A 18 18 GLU CB C 18 29.301 29.646 -0.345 1
1 189 . 14 1 1 A 18 18 GLU N N 18 123.257 119.527 3.730 1
1 190 . 14 1 1 A 19 19 PHE H H 19 8.026 8.066 -0.040 1
1 191 . 14 1 1 A 19 19 PHE HA H 19 4.258 4.077 0.181 1
1 195 . 14 1 1 A 19 19 PHE CA C 19 61.640 61.273 0.367 1
1 196 . 14 1 1 A 19 19 PHE CB C 19 39.547 38.989 0.558 1
1 198 . 14 1 1 A 19 19 PHE N N 19 123.888 121.893 1.995 1
1 199 . 14 1 1 A 20 20 VAL H H 20 8.734 8.056 0.678 1
1 200 . 14 1 1 A 20 20 VAL HA H 20 3.336 3.562 -0.226 1
1 208 . 14 1 1 A 20 20 VAL CA C 20 67.245 66.470 0.775 1
1 209 . 14 1 1 A 20 20 VAL CB C 20 31.965 31.837 0.128 1
1 212 . 14 1 1 A 20 20 VAL N N 20 119.762 118.723 1.039 1
1 213 . 14 1 1 A 21 21 THR H H 21 8.213 8.229 -0.016 1
1 214 . 14 1 1 A 21 21 THR HA H 21 3.615 3.967 -0.352 1
1 218 . 14 1 1 A 21 21 THR CA C 21 67.657 66.256 1.401 1
1 219 . 14 1 1 A 21 21 THR CB C 21 68.697 68.232 0.465 1
1 221 . 14 1 1 A 21 21 THR N N 21 117.446 115.219 2.227 1
1 222 . 14 1 1 A 22 22 ALA H H 22 8.050 8.293 -0.243 1
1 223 . 14 1 1 A 22 22 ALA HA H 22 4.084 3.956 0.128 1
1 227 . 14 1 1 A 22 22 ALA CA C 22 54.998 55.528 -0.530 1
1 228 . 14 1 1 A 22 22 ALA CB C 22 17.880 18.622 -0.742 1
1 229 . 14 1 1 A 22 22 ALA N N 22 125.291 123.209 2.082 1
1 230 . 14 1 1 A 23 23 LYS H H 23 7.868 7.765 0.103 1
1 231 . 14 1 1 A 23 23 LYS HA H 23 3.886 3.770 0.116 1
1 240 . 14 1 1 A 23 23 LYS CA C 23 57.286 59.128 -1.842 1
1 241 . 14 1 1 A 23 23 LYS CB C 23 30.651 32.007 -1.356 1
1 245 . 14 1 1 A 23 23 LYS N N 23 119.332 117.041 2.291 1
1 246 . 14 1 1 A 24 24 PHE H H 24 8.369 8.147 0.222 1
1 247 . 14 1 1 A 24 24 PHE HA H 24 3.805 4.343 -0.538 1
1 252 . 14 1 1 A 24 24 PHE CA C 24 62.055 60.062 1.993 1
1 253 . 14 1 1 A 24 24 PHE CB C 24 38.744 38.147 0.597 1
1 256 . 14 1 1 A 24 24 PHE N N 24 119.142 118.268 0.874 1
1 257 . 14 1 1 A 25 25 ALA H H 25 7.879 8.393 -0.514 1
1 258 . 14 1 1 A 25 25 ALA HA H 25 4.140 4.106 0.034 1
1 262 . 14 1 1 A 25 25 ALA CA C 25 55.014 55.237 -0.223 1
1 263 . 14 1 1 A 25 25 ALA CB C 25 17.773 18.263 -0.490 1
1 264 . 14 1 1 A 25 25 ALA N N 25 123.500 121.770 1.730 1
1 265 . 14 1 1 A 26 26 LYS H H 26 7.217 7.744 -0.527 1
1 266 . 14 1 1 A 26 26 LYS HA H 26 4.024 3.891 0.133 1
1 275 . 14 1 1 A 26 26 LYS CA C 26 58.189 59.151 -0.962 1
1 276 . 14 1 1 A 26 26 LYS CB C 26 32.033 32.108 -0.075 1
1 280 . 14 1 1 A 26 26 LYS N N 26 118.541 118.330 0.211 1
1 281 . 14 1 1 A 27 27 LEU H H 27 7.773 7.863 -0.090 1
1 282 . 14 1 1 A 27 27 LEU HA H 27 4.257 3.212 1.045 1
1 292 . 14 1 1 A 27 27 LEU CA C 27 55.889 56.225 -0.336 1
1 293 . 14 1 1 A 27 27 LEU CB C 27 41.083 41.477 -0.394 1
1 297 . 14 1 1 A 27 27 LEU N N 27 118.340 119.551 -1.211 1
1 298 . 14 1 1 A 28 28 GLU H H 28 7.296 8.323 -1.027 1
1 299 . 14 1 1 A 28 28 GLU HA H 28 3.489 4.687 -1.198 1
1 304 . 14 1 1 A 28 28 GLU CA C 28 58.336 58.823 -0.487 1
1 305 . 14 1 1 A 28 28 GLU CB C 28 29.265 29.516 -0.251 1
1 307 . 14 1 1 A 28 28 GLU N N 28 119.557 119.603 -0.046 1
1 308 . 14 1 1 A 29 29 GLN H H 29 7.783 7.699 0.084 1
1 309 . 14 1 1 A 29 29 GLN HA H 29 3.923 4.011 -0.088 1
1 314 . 14 1 1 A 29 29 GLN CA C 29 57.387 58.462 -1.075 1
1 315 . 14 1 1 A 29 29 GLN CB C 29 28.082 28.736 -0.654 1
1 317 . 14 1 1 A 29 29 GLN N N 29 117.927 119.939 -2.012 1
1 318 . 14 1 1 A 30 30 TYR H H 30 7.731 7.369 0.362 1
1 319 . 14 1 1 A 30 30 TYR HA H 30 4.433 4.544 -0.111 1
1 324 . 14 1 1 A 30 30 TYR CA C 30 58.371 58.664 -0.293 1
1 325 . 14 1 1 A 30 30 TYR CB C 30 39.297 38.590 0.707 1
1 328 . 14 1 1 A 30 30 TYR N N 30 118.639 119.056 -0.417 1
1 329 . 14 1 1 A 31 31 PHE H H 31 7.652 7.865 -0.213 1
1 330 . 14 1 1 A 31 31 PHE HA H 31 4.605 5.101 -0.496 1
1 334 . 14 1 1 A 31 31 PHE CA C 31 58.507 56.294 2.213 1
1 335 . 14 1 1 A 31 31 PHE CB C 31 40.438 41.422 -0.984 1
1 337 . 14 1 1 A 31 31 PHE N N 31 119.753 119.433 0.320 1
1 338 . 14 1 1 A 32 32 ASP H H 32 8.087 8.614 -0.527 1
1 339 . 14 1 1 A 32 32 ASP HA H 32 4.465 4.998 -0.533 1
1 342 . 14 1 1 A 32 32 ASP CA C 32 55.094 53.884 1.210 1
1 343 . 14 1 1 A 32 32 ASP CB C 32 40.511 41.730 -1.219 1
1 344 . 14 1 1 A 32 32 ASP N N 32 121.865 123.411 -1.546 1
1 345 . 14 1 1 A 33 33 ARG H H 33 7.083 7.763 -0.680 1
1 346 . 14 1 1 A 33 33 ARG HA H 33 4.412 4.501 -0.089 1
1 353 . 14 1 1 A 33 33 ARG CA C 33 55.082 55.610 -0.528 1
1 354 . 14 1 1 A 33 33 ARG CB C 33 30.409 28.406 2.003 1
1 357 . 14 1 1 A 33 33 ARG N N 33 119.603 117.929 1.674 1
1 358 . 14 1 1 A 34 34 ILE H H 34 8.139 7.711 0.428 1
1 359 . 14 1 1 A 34 34 ILE HA H 34 4.051 4.838 -0.787 1
1 369 . 14 1 1 A 34 34 ILE CA C 34 61.543 60.750 0.793 1
1 370 . 14 1 1 A 34 34 ILE CB C 34 39.510 40.184 -0.674 1
1 374 . 14 1 1 A 34 34 ILE N N 34 123.576 123.155 0.421 1
1 375 . 14 1 1 A 35 35 ASN H H 35 8.560 8.899 -0.339 1
1 376 . 14 1 1 A 35 35 ASN HA H 35 4.870 4.838 0.032 1
1 379 . 14 1 1 A 35 35 ASN CA C 35 53.877 54.338 -0.461 1
1 380 . 14 1 1 A 35 35 ASN CB C 35 38.806 39.122 -0.316 1
1 381 . 14 1 1 A 35 35 ASN N N 35 126.934 122.070 4.864 1
1 382 . 14 1 1 A 36 36 GLN H H 36 7.843 7.761 0.082 1
1 383 . 14 1 1 A 36 36 GLN HA H 36 4.519 4.838 -0.319 1
1 388 . 14 1 1 A 36 36 GLN CA C 36 56.345 54.070 2.275 1
1 389 . 14 1 1 A 36 36 GLN CB C 36 31.240 30.984 0.256 1
1 391 . 14 1 1 A 36 36 GLN N N 36 120.673 118.057 2.616 1
1 392 . 14 1 1 A 37 37 VAL H H 37 8.330 8.881 -0.551 1
1 393 . 14 1 1 A 37 37 VAL HA H 37 4.693 4.853 -0.160 1
1 401 . 14 1 1 A 37 37 VAL CA C 37 60.789 60.930 -0.141 1
1 402 . 14 1 1 A 37 37 VAL CB C 37 34.740 34.641 0.099 1
1 405 . 14 1 1 A 37 37 VAL N N 37 123.403 125.871 -2.468 1
1 406 . 14 1 1 A 38 38 TYR H H 38 8.943 7.942 1.001 1
1 407 . 14 1 1 A 38 38 TYR HA H 38 5.039 5.916 -0.877 1
1 412 . 14 1 1 A 38 38 TYR CA C 38 57.028 55.234 1.794 1
1 413 . 14 1 1 A 38 38 TYR CB C 38 39.705 42.379 -2.674 1
1 416 . 14 1 1 A 38 38 TYR N N 38 129.202 123.022 6.180 1
1 417 . 14 1 1 A 39 39 VAL H H 39 9.053 8.339 0.714 1
1 418 . 14 1 1 A 39 39 VAL HA H 39 5.048 5.071 -0.023 1
1 426 . 14 1 1 A 39 39 VAL CA C 39 60.685 60.585 0.100 1
1 427 . 14 1 1 A 39 39 VAL CB C 39 34.107 35.579 -1.472 1
1 430 . 14 1 1 A 39 39 VAL N N 39 127.771 121.909 5.862 1
1 431 . 14 1 1 A 40 40 VAL H H 40 9.276 8.926 0.350 1
1 432 . 14 1 1 A 40 40 VAL HA H 40 4.862 5.151 -0.289 1
1 440 . 14 1 1 A 40 40 VAL CA C 40 60.896 60.805 0.091 1
1 441 . 14 1 1 A 40 40 VAL CB C 40 34.411 35.679 -1.268 1
1 444 . 14 1 1 A 40 40 VAL N N 40 130.939 126.204 4.735 1
1 445 . 14 1 1 A 41 41 LEU H H 41 8.714 8.857 -0.143 1
1 446 . 14 1 1 A 41 41 LEU HA H 41 5.111 5.620 -0.509 1
1 456 . 14 1 1 A 41 41 LEU CA C 41 53.150 53.192 -0.042 1
1 457 . 14 1 1 A 41 41 LEU CB C 41 42.538 44.905 -2.367 1
1 461 . 14 1 1 A 41 41 LEU N N 41 130.200 125.503 4.697 1
1 462 . 14 1 1 A 42 42 LYS H H 42 8.955 9.788 -0.833 1
1 463 . 14 1 1 A 42 42 LYS HA H 42 5.180 5.506 -0.326 1
1 472 . 14 1 1 A 42 42 LYS CA C 42 55.017 54.864 0.153 1
1 473 . 14 1 1 A 42 42 LYS CB C 42 36.649 34.300 2.349 1
1 477 . 14 1 1 A 42 42 LYS N N 42 124.155 123.986 0.169 1
1 478 . 14 1 1 A 43 43 VAL H H 43 7.515 8.612 -1.097 1
1 479 . 14 1 1 A 43 43 VAL HA H 43 4.360 4.357 0.003 1
1 487 . 14 1 1 A 43 43 VAL CA C 43 61.230 61.216 0.014 1
1 488 . 14 1 1 A 43 43 VAL CB C 43 33.656 33.394 0.262 1
1 491 . 14 1 1 A 43 43 VAL N N 43 124.332 125.049 -0.717 1
1 492 . 14 1 1 A 44 44 GLU H H 44 8.092 8.063 0.029 1
1 493 . 14 1 1 A 44 44 GLU HA H 44 4.368 4.830 -0.462 1
1 498 . 14 1 1 A 44 44 GLU CA C 44 55.445 54.383 1.062 1
1 499 . 14 1 1 A 44 44 GLU CB C 44 31.404 32.836 -1.432 1
1 501 . 14 1 1 A 44 44 GLU N N 44 130.594 127.025 3.569 1
1 502 . 14 1 1 A 45 45 LYS H H 45 8.982 8.797 0.185 1
1 503 . 14 1 1 A 45 45 LYS HA H 45 3.695 3.931 -0.236 1
1 512 . 14 1 1 A 45 45 LYS CA C 45 59.588 58.934 0.654 1
1 513 . 14 1 1 A 45 45 LYS CB C 45 30.077 32.067 -1.990 1
1 517 . 14 1 1 A 45 45 LYS N N 45 125.587 120.990 4.597 1
1 518 . 14 1 1 A 46 46 VAL H H 46 7.710 7.436 0.274 1
1 519 . 14 1 1 A 46 46 VAL HA H 46 4.346 3.981 0.365 1
1 527 . 14 1 1 A 46 46 VAL CA C 46 61.342 64.664 -3.322 1
1 528 . 14 1 1 A 46 46 VAL CB C 46 31.917 31.935 -0.018 1
1 531 . 14 1 1 A 46 46 VAL N N 46 115.763 118.094 -2.331 1
1 532 . 14 1 1 A 47 47 THR H H 47 8.151 7.745 0.406 1
1 533 . 14 1 1 A 47 47 THR HA H 47 4.397 5.303 -0.906 1
1 538 . 14 1 1 A 47 47 THR CA C 47 63.072 61.405 1.667 1
1 539 . 14 1 1 A 47 47 THR CB C 47 69.615 72.330 -2.715 1
1 541 . 14 1 1 A 47 47 THR N N 47 120.888 112.017 8.871 1
1 542 . 14 1 1 A 48 48 HIS H H 48 8.753 9.247 -0.494 1
1 543 . 14 1 1 A 48 48 HIS HA H 48 4.826 5.248 -0.422 1
1 547 . 14 1 1 A 48 48 HIS CA C 48 55.978 54.975 1.003 1
1 548 . 14 1 1 A 48 48 HIS CB C 48 30.476 30.770 -0.294 1
1 550 . 14 1 1 A 48 48 HIS N N 48 130.755 123.316 7.439 1
1 551 . 14 1 1 A 49 49 THR H H 49 9.136 8.619 0.517 1
1 552 . 14 1 1 A 49 49 THR HA H 49 5.245 5.083 0.162 1
1 557 . 14 1 1 A 49 49 THR CA C 49 60.941 61.327 -0.386 1
1 558 . 14 1 1 A 49 49 THR CB C 49 71.411 71.485 -0.074 1
1 560 . 14 1 1 A 49 49 THR N N 49 118.522 118.135 0.387 1
1 561 . 14 1 1 A 50 50 SER H H 50 9.050 9.152 -0.102 1
1 562 . 14 1 1 A 50 50 SER HA H 50 5.348 5.632 -0.284 1
1 565 . 14 1 1 A 50 50 SER CA C 50 55.645 56.855 -1.210 1
1 566 . 14 1 1 A 50 50 SER CB C 50 66.579 66.240 0.339 1
1 567 . 14 1 1 A 50 50 SER N N 50 119.749 119.288 0.461 1
1 568 . 14 1 1 A 51 51 ASP H H 51 8.843 9.562 -0.719 1
1 569 . 14 1 1 A 51 51 ASP HA H 51 5.363 5.748 -0.385 1
1 572 . 14 1 1 A 51 51 ASP CA C 51 52.879 52.334 0.545 1
1 573 . 14 1 1 A 51 51 ASP CB C 51 45.173 44.764 0.409 1
1 574 . 14 1 1 A 51 51 ASP N N 51 126.330 121.461 4.869 1
1 575 . 14 1 1 A 52 52 ALA H H 52 8.938 9.564 -0.626 1
1 576 . 14 1 1 A 52 52 ALA HA H 52 5.777 5.261 0.516 1
1 580 . 14 1 1 A 52 52 ALA CA C 52 50.806 50.845 -0.039 1
1 581 . 14 1 1 A 52 52 ALA CB C 52 24.676 22.934 1.742 1
1 582 . 14 1 1 A 52 52 ALA N N 52 122.789 121.940 0.849 1
1 583 . 14 1 1 A 53 53 THR H H 53 8.666 8.312 0.354 1
1 584 . 14 1 1 A 53 53 THR HA H 53 4.979 5.127 -0.148 1
1 589 . 14 1 1 A 53 53 THR CA C 53 62.026 61.377 0.649 1
1 590 . 14 1 1 A 53 53 THR CB C 53 70.850 70.540 0.310 1
1 592 . 14 1 1 A 53 53 THR N N 53 118.344 115.935 2.409 1
1 593 . 14 1 1 A 54 54 LEU H H 54 9.662 8.840 0.822 1
1 594 . 14 1 1 A 54 54 LEU HA H 54 4.921 5.014 -0.093 1
1 604 . 14 1 1 A 54 54 LEU CA C 54 53.923 53.957 -0.034 1
1 605 . 14 1 1 A 54 54 LEU CB C 54 43.782 44.215 -0.433 1
1 609 . 14 1 1 A 54 54 LEU N N 54 129.166 127.505 1.661 1
1 610 . 14 1 1 A 55 55 HIS H H 55 8.956 8.930 0.026 1
1 611 . 14 1 1 A 55 55 HIS HA H 55 4.882 5.184 -0.302 1
1 615 . 14 1 1 A 55 55 HIS CA C 55 56.326 55.119 1.207 1
1 616 . 14 1 1 A 55 55 HIS CB C 55 30.431 31.310 -0.879 1
1 618 . 14 1 1 A 55 55 HIS N N 55 126.094 122.653 3.441 1
1 619 . 14 1 1 A 56 56 VAL H H 56 8.151 8.637 -0.486 1
1 620 . 14 1 1 A 56 56 VAL HA H 56 4.856 4.357 0.499 1
1 628 . 14 1 1 A 56 56 VAL CA C 56 58.734 61.039 -2.305 1
1 629 . 14 1 1 A 56 56 VAL CB C 56 34.523 32.158 2.365 1
1 632 . 14 1 1 A 56 56 VAL N N 56 120.242 124.450 -4.208 1
1 633 . 14 1 1 A 57 57 ASN H H 57 8.970 8.907 0.063 1
1 634 . 14 1 1 A 57 57 ASN HA H 57 4.463 4.399 0.064 1
1 637 . 14 1 1 A 57 57 ASN CA C 57 54.963 56.236 -1.273 1
1 638 . 14 1 1 A 57 57 ASN CB C 57 37.481 38.117 -0.636 1
1 639 . 14 1 1 A 57 57 ASN N N 57 124.652 122.614 2.038 1
1 640 . 14 1 1 A 58 58 GLY H H 58 8.868 8.094 0.774 1
1 641 . 14 1 1 A 58 58 GLY HA2 H 58 3.814 3.869 -0.055 1
1 642 . 14 1 1 A 58 58 GLY HA3 H 58 4.152 3.874 0.278 1
1 643 . 14 1 1 A 58 58 GLY CA C 58 45.606 46.301 -0.695 1
1 644 . 14 1 1 A 58 58 GLY N N 58 112.816 107.488 5.328 1
1 645 . 14 1 1 A 59 59 GLY H H 59 7.848 7.772 0.076 1
1 646 . 14 1 1 A 59 59 GLY HA2 H 59 3.978 3.962 0.016 1
1 647 . 14 1 1 A 59 59 GLY HA3 H 59 4.153 3.977 0.176 1
1 648 . 14 1 1 A 59 59 GLY CA C 59 45.321 43.966 1.355 1
1 649 . 14 1 1 A 59 59 GLY N N 59 109.857 108.456 1.401 1
1 650 . 14 1 1 A 60 60 GLU H H 60 8.262 8.386 -0.124 1
1 651 . 14 1 1 A 60 60 GLU HA H 60 5.110 4.913 0.197 1
1 656 . 14 1 1 A 60 60 GLU CA C 60 54.756 54.650 0.106 1
1 657 . 14 1 1 A 60 60 GLU CB C 60 32.933 33.872 -0.939 1
1 659 . 14 1 1 A 60 60 GLU N N 60 121.732 119.788 1.944 1
1 660 . 14 1 1 A 61 61 ILE H H 61 8.764 8.805 -0.041 1
1 661 . 14 1 1 A 61 61 ILE HA H 61 4.286 4.841 -0.555 1
1 671 . 14 1 1 A 61 61 ILE CA C 61 59.713 60.417 -0.704 1
1 672 . 14 1 1 A 61 61 ILE CB C 61 41.194 39.681 1.513 1
1 676 . 14 1 1 A 61 61 ILE N N 61 124.817 123.896 0.921 1
1 677 . 14 1 1 A 62 62 HIS H H 62 8.907 8.863 0.044 1
1 678 . 14 1 1 A 62 62 HIS HA H 62 5.743 5.292 0.451 1
1 682 . 14 1 1 A 62 62 HIS CA C 62 54.009 53.888 0.121 1
1 683 . 14 1 1 A 62 62 HIS CB C 62 32.365 33.120 -0.755 1
1 685 . 14 1 1 A 62 62 HIS N N 62 127.338 127.157 0.181 1
1 686 . 14 1 1 A 63 63 ALA H H 63 8.298 9.362 -1.064 1
1 687 . 14 1 1 A 63 63 ALA HA H 63 4.480 5.092 -0.612 1
1 691 . 14 1 1 A 63 63 ALA CA C 63 51.764 50.754 1.010 1
1 692 . 14 1 1 A 63 63 ALA CB C 63 23.678 24.183 -0.505 1
1 693 . 14 1 1 A 63 63 ALA N N 63 125.511 129.610 -4.099 1
1 694 . 14 1 1 A 64 64 SER H H 64 8.070 8.633 -0.563 1
1 695 . 14 1 1 A 64 64 SER HA H 64 5.286 5.371 -0.085 1
1 698 . 14 1 1 A 64 64 SER CA C 64 56.782 57.194 -0.412 1
1 699 . 14 1 1 A 64 64 SER CB C 64 65.895 67.054 -1.159 1
1 700 . 14 1 1 A 64 64 SER N N 64 114.469 112.525 1.944 1
1 701 . 14 1 1 A 65 65 ALA H H 65 8.904 9.232 -0.328 1
1 702 . 14 1 1 A 65 65 ALA HA H 65 4.669 5.288 -0.619 1
1 706 . 14 1 1 A 65 65 ALA CA C 65 51.753 50.795 0.958 1
1 707 . 14 1 1 A 65 65 ALA CB C 65 22.599 23.919 -1.320 1
1 708 . 14 1 1 A 65 65 ALA N N 65 126.977 122.555 4.422 1
1 709 . 14 1 1 A 66 66 GLU H H 66 8.200 8.538 -0.338 1
1 710 . 14 1 1 A 66 66 GLU HA H 66 5.680 5.365 0.315 1
1 715 . 14 1 1 A 66 66 GLU CA C 66 53.650 54.753 -1.103 1
1 716 . 14 1 1 A 66 66 GLU CB C 66 33.741 33.864 -0.123 1
1 718 . 14 1 1 A 66 66 GLU N N 66 119.267 118.043 1.224 1
1 719 . 14 1 1 A 67 67 GLY H H 67 8.836 8.080 0.756 1
1 720 . 14 1 1 A 67 67 GLY HA2 H 67 4.490 4.250 0.240 1
1 721 . 14 1 1 A 67 67 GLY HA3 H 67 3.728 4.253 -0.525 1
1 722 . 14 1 1 A 67 67 GLY CA C 67 45.157 45.426 -0.269 1
1 723 . 14 1 1 A 67 67 GLY N N 67 108.048 108.516 -0.468 1
1 724 . 14 1 1 A 68 68 GLN H H 68 8.997 8.673 0.324 1
1 725 . 14 1 1 A 68 68 GLN HA H 68 4.440 3.989 0.451 1
1 730 . 14 1 1 A 68 68 GLN CA C 68 56.996 57.801 -0.805 1
1 731 . 14 1 1 A 68 68 GLN CB C 68 28.694 29.115 -0.421 1
1 733 . 14 1 1 A 68 68 GLN N N 68 119.961 119.564 0.397 1
1 734 . 14 1 1 A 69 69 ASP H H 69 7.542 7.434 0.108 1
1 735 . 14 1 1 A 69 69 ASP HA H 69 3.242 3.641 -0.399 1
1 738 . 14 1 1 A 69 69 ASP CA C 69 51.838 52.624 -0.786 1
1 739 . 14 1 1 A 69 69 ASP CB C 69 42.829 42.087 0.742 1
1 740 . 14 1 1 A 69 69 ASP N N 69 115.279 114.133 1.146 1
1 741 . 14 1 1 A 70 70 MET H H 70 8.409 8.874 -0.465 1
1 742 . 14 1 1 A 70 70 MET HA H 70 4.200 4.394 -0.194 1
1 747 . 14 1 1 A 70 70 MET CA C 70 56.505 59.243 -2.738 1
1 748 . 14 1 1 A 70 70 MET CB C 70 31.533 32.233 -0.700 1
1 750 . 14 1 1 A 70 70 MET N N 70 120.495 118.713 1.782 1
1 751 . 14 1 1 A 71 71 TYR H H 71 7.304 8.330 -1.026 1
1 752 . 14 1 1 A 71 71 TYR HA H 71 3.832 4.332 -0.500 1
1 757 . 14 1 1 A 71 71 TYR CA C 71 60.141 60.532 -0.391 1
1 758 . 14 1 1 A 71 71 TYR CB C 71 35.788 37.333 -1.545 1
1 761 . 14 1 1 A 71 71 TYR N N 71 120.024 118.641 1.383 1
1 762 . 14 1 1 A 72 72 ALA H H 72 8.474 8.403 0.071 1
1 763 . 14 1 1 A 72 72 ALA HA H 72 4.213 3.985 0.228 1
1 767 . 14 1 1 A 72 72 ALA CA C 72 54.526 55.211 -0.685 1
1 768 . 14 1 1 A 72 72 ALA CB C 72 18.884 18.270 0.614 1
1 769 . 14 1 1 A 72 72 ALA N N 72 123.384 122.462 0.922 1
1 770 . 14 1 1 A 73 73 ALA H H 73 7.595 8.094 -0.499 1
1 771 . 14 1 1 A 73 73 ALA HA H 73 3.731 4.153 -0.422 1
1 775 . 14 1 1 A 73 73 ALA CA C 73 55.647 54.500 1.147 1
1 776 . 14 1 1 A 73 73 ALA CB C 73 17.460 18.686 -1.226 1
1 777 . 14 1 1 A 73 73 ALA N N 73 123.415 120.139 3.276 1
1 778 . 14 1 1 A 74 74 ILE H H 74 7.958 7.504 0.454 1
1 779 . 14 1 1 A 74 74 ILE HA H 74 3.692 3.768 -0.076 1
1 789 . 14 1 1 A 74 74 ILE CA C 74 63.902 64.955 -1.053 1
1 790 . 14 1 1 A 74 74 ILE CB C 74 37.010 37.142 -0.132 1
1 794 . 14 1 1 A 74 74 ILE N N 74 119.834 119.115 0.719 1
1 795 . 14 1 1 A 75 75 ASP H H 75 8.468 8.289 0.179 1
1 796 . 14 1 1 A 75 75 ASP HA H 75 4.282 4.302 -0.020 1
1 799 . 14 1 1 A 75 75 ASP CA C 75 58.107 57.413 0.694 1
1 800 . 14 1 1 A 75 75 ASP CB C 75 40.628 41.220 -0.592 1
1 801 . 14 1 1 A 75 75 ASP N N 75 122.091 121.265 0.826 1
1 802 . 14 1 1 A 76 76 GLY H H 76 8.041 8.078 -0.037 1
1 803 . 14 1 1 A 76 76 GLY HA2 H 76 3.845 3.696 0.149 1
1 804 . 14 1 1 A 76 76 GLY HA3 H 76 3.863 3.707 0.156 1
1 805 . 14 1 1 A 76 76 GLY CA C 76 46.668 47.035 -0.367 1
1 806 . 14 1 1 A 76 76 GLY N N 76 108.081 107.788 0.293 1
1 807 . 14 1 1 A 77 77 LEU H H 77 8.088 7.914 0.174 1
1 808 . 14 1 1 A 77 77 LEU HA H 77 3.709 4.142 -0.433 1
1 818 . 14 1 1 A 77 77 LEU CA C 77 57.865 57.237 0.628 1
1 819 . 14 1 1 A 77 77 LEU CB C 77 41.828 41.585 0.243 1
1 823 . 14 1 1 A 77 77 LEU N N 77 126.711 123.101 3.610 1
1 824 . 14 1 1 A 78 78 ILE H H 78 8.155 8.237 -0.082 1
1 825 . 14 1 1 A 78 78 ILE HA H 78 3.316 3.728 -0.412 1
1 835 . 14 1 1 A 78 78 ILE CA C 78 62.813 62.800 0.013 1
1 836 . 14 1 1 A 78 78 ILE CB C 78 34.810 37.595 -2.785 1
1 840 . 14 1 1 A 78 78 ILE N N 78 120.409 119.061 1.348 1
1 841 . 14 1 1 A 79 79 ASP H H 79 7.408 7.950 -0.542 1
1 842 . 14 1 1 A 79 79 ASP HA H 79 4.274 4.299 -0.025 1
1 845 . 14 1 1 A 79 79 ASP CA C 79 57.605 57.146 0.459 1
1 846 . 14 1 1 A 79 79 ASP CB C 79 41.017 40.862 0.155 1
1 847 . 14 1 1 A 79 79 ASP N N 79 120.497 122.070 -1.573 1
1 848 . 14 1 1 A 80 80 LYS H H 80 7.536 7.862 -0.326 1
1 849 . 14 1 1 A 80 80 LYS HA H 80 3.931 3.960 -0.029 1
1 858 . 14 1 1 A 80 80 LYS CA C 80 59.952 59.467 0.485 1
1 859 . 14 1 1 A 80 80 LYS CB C 80 33.221 32.236 0.985 1
1 863 . 14 1 1 A 80 80 LYS N N 80 119.684 117.627 2.057 1
1 864 . 14 1 1 A 81 81 LEU H H 81 8.473 7.790 0.683 1
1 865 . 14 1 1 A 81 81 LEU HA H 81 3.765 3.930 -0.165 1
1 875 . 14 1 1 A 81 81 LEU CA C 81 57.564 57.788 -0.224 1
1 876 . 14 1 1 A 81 81 LEU CB C 81 42.473 41.517 0.956 1
1 880 . 14 1 1 A 81 81 LEU N N 81 121.519 120.088 1.431 1
1 881 . 14 1 1 A 82 82 ALA H H 82 8.682 8.114 0.568 1
1 882 . 14 1 1 A 82 82 ALA HA H 82 3.479 3.887 -0.408 1
1 886 . 14 1 1 A 82 82 ALA CA C 82 55.731 55.517 0.214 1
1 887 . 14 1 1 A 82 82 ALA CB C 82 17.388 18.391 -1.003 1
1 888 . 14 1 1 A 82 82 ALA N N 82 123.814 121.063 2.751 1
1 889 . 14 1 1 A 83 83 ARG H H 83 7.329 7.717 -0.388 1
1 890 . 14 1 1 A 83 83 ARG HA H 83 3.981 4.100 -0.119 1
1 897 . 14 1 1 A 83 83 ARG CA C 83 59.137 59.807 -0.670 1
1 898 . 14 1 1 A 83 83 ARG CB C 83 29.971 29.992 -0.021 1
1 901 . 14 1 1 A 83 83 ARG N N 83 118.219 117.787 0.432 1
1 902 . 14 1 1 A 84 84 GLN H H 84 7.750 7.728 0.022 1
1 903 . 14 1 1 A 84 84 GLN HA H 84 4.047 4.080 -0.033 1
1 906 . 14 1 1 A 84 84 GLN CA C 84 58.685 58.552 0.133 1
1 907 . 14 1 1 A 84 84 GLN CB C 84 29.903 28.415 1.488 1
1 909 . 14 1 1 A 84 84 GLN N N 84 119.887 118.932 0.955 1
1 910 . 14 1 1 A 85 85 LEU H H 85 8.610 8.228 0.382 1
1 911 . 14 1 1 A 85 85 LEU HA H 85 3.788 4.133 -0.345 1
1 920 . 14 1 1 A 85 85 LEU CA C 85 57.600 57.922 -0.322 1
1 921 . 14 1 1 A 85 85 LEU CB C 85 41.178 41.573 -0.395 1
1 925 . 14 1 1 A 85 85 LEU N N 85 122.951 119.998 2.953 1
1 926 . 14 1 1 A 86 86 THR H H 86 7.709 8.166 -0.457 1
1 927 . 14 1 1 A 86 86 THR HA H 86 4.056 4.190 -0.134 1
1 932 . 14 1 1 A 86 86 THR CA C 86 65.924 66.245 -0.321 1
1 933 . 14 1 1 A 86 86 THR CB C 86 68.870 68.455 0.415 1
1 935 . 14 1 1 A 86 86 THR N N 86 116.282 110.773 5.509 1
1 936 . 14 1 1 A 87 87 LYS H H 87 7.457 7.813 -0.356 1
1 937 . 14 1 1 A 87 87 LYS HA H 87 4.102 4.026 0.076 1
1 946 . 14 1 1 A 87 87 LYS CA C 87 58.289 59.522 -1.233 1
1 947 . 14 1 1 A 87 87 LYS CB C 87 32.293 32.330 -0.037 1
1 951 . 14 1 1 A 87 87 LYS N N 87 122.670 122.751 -0.081 1
1 952 . 14 1 1 A 88 88 HIS H H 88 7.928 8.089 -0.161 1
1 953 . 14 1 1 A 88 88 HIS HA H 88 4.301 4.401 -0.100 1
1 957 . 14 1 1 A 88 88 HIS CA C 88 58.361 58.474 -0.113 1
1 958 . 14 1 1 A 88 88 HIS CB C 88 30.766 28.548 2.218 1
1 960 . 14 1 1 A 88 88 HIS N N 88 121.382 116.853 4.529 1
1 961 . 14 1 1 A 89 89 LYS H H 89 7.928 8.204 -0.276 1
1 962 . 14 1 1 A 89 89 LYS HA H 89 3.934 3.893 0.041 1
1 971 . 14 1 1 A 89 89 LYS CA C 89 58.568 58.846 -0.278 1
1 972 . 14 1 1 A 89 89 LYS CB C 89 32.489 31.692 0.797 1
1 976 . 14 1 1 A 89 89 LYS N N 89 121.821 120.965 0.856 1
1 977 . 14 1 1 A 90 90 ASP H H 90 8.143 7.978 0.165 1
1 978 . 14 1 1 A 90 90 ASP HA H 90 4.445 4.397 0.048 1
1 981 . 14 1 1 A 90 90 ASP CA C 90 55.869 57.135 -1.266 1
1 982 . 14 1 1 A 90 90 ASP CB C 90 40.715 41.230 -0.515 1
1 983 . 14 1 1 A 90 90 ASP N N 90 121.199 119.734 1.465 1
1 984 . 14 1 1 A 91 91 LYS H H 91 7.867 7.565 0.302 1
1 985 . 14 1 1 A 91 91 LYS HA H 91 4.130 4.077 0.053 1
1 994 . 14 1 1 A 91 91 LYS CA C 91 57.421 58.615 -1.194 1
1 995 . 14 1 1 A 91 91 LYS CB C 91 32.365 32.273 0.092 1
1 999 . 14 1 1 A 91 91 LYS N N 91 121.976 118.034 3.942 1
1 1000 . 14 1 1 A 92 92 LEU H H 92 7.709 7.596 0.113 1
1 1001 . 14 1 1 A 92 92 LEU HA H 92 4.171 4.665 -0.494 1
1 1011 . 14 1 1 A 92 92 LEU CA C 92 55.449 54.160 1.289 1
1 1012 . 14 1 1 A 92 92 LEU CB C 92 41.871 42.746 -0.875 1
1 1016 . 14 1 1 A 92 92 LEU N N 92 121.802 117.772 4.030 1
1 1017 . 14 1 1 A 93 93 LYS H H 93 7.751 7.592 0.159 1
1 1018 . 14 1 1 A 93 93 LYS HA H 93 4.197 4.871 -0.674 1
1 1027 . 14 1 1 A 93 93 LYS CA C 93 56.420 54.895 1.525 1
1 1028 . 14 1 1 A 93 93 LYS CB C 93 32.792 34.425 -1.633 1
1 1032 . 14 1 1 A 93 93 LYS N N 93 121.954 121.723 0.231 1
1 1033 . 14 1 1 A 94 94 GLN H H 94 8.129 8.855 -0.726 1
1 1034 . 14 1 1 A 94 94 GLN HA H 94 4.208 4.731 -0.523 1
1 1039 . 14 1 1 A 94 94 GLN CA C 94 55.891 54.923 0.968 1
1 1040 . 14 1 1 A 94 94 GLN CB C 94 29.236 28.519 0.717 1
1 1042 . 14 1 1 A 94 94 GLN N N 94 123.165 124.588 -1.423 1
1 1 . 15 1 1 A 2 2 GLN H H 2 7.809 8.482 -0.673 1
1 2 . 15 1 1 A 2 2 GLN HA H 2 4.394 4.553 -0.159 1
1 7 . 15 1 1 A 2 2 GLN CA C 2 55.124 55.270 -0.146 1
1 8 . 15 1 1 A 2 2 GLN CB C 2 30.385 29.140 1.245 1
1 10 . 15 1 1 A 2 2 GLN N N 2 126.586 121.978 4.608 1
1 11 . 15 1 1 A 3 3 LEU H H 3 8.598 7.491 1.107 1
1 12 . 15 1 1 A 3 3 LEU HA H 3 4.380 5.116 -0.736 1
1 22 . 15 1 1 A 3 3 LEU CA C 3 54.590 53.288 1.302 1
1 23 . 15 1 1 A 3 3 LEU CB C 3 43.701 42.894 0.807 1
1 27 . 15 1 1 A 3 3 LEU N N 3 128.942 118.007 10.935 1
1 28 . 15 1 1 A 4 4 ASN H H 4 8.227 8.820 -0.593 1
1 29 . 15 1 1 A 4 4 ASN HA H 4 4.864 5.395 -0.531 1
1 32 . 15 1 1 A 4 4 ASN CA C 4 52.628 52.065 0.563 1
1 33 . 15 1 1 A 4 4 ASN CB C 4 41.258 42.432 -1.174 1
1 34 . 15 1 1 A 4 4 ASN N N 4 127.137 120.356 6.781 1
1 35 . 15 1 1 A 5 5 ILE H H 5 8.659 8.942 -0.283 1
1 36 . 15 1 1 A 5 5 ILE HA H 5 4.901 5.445 -0.544 1
1 46 . 15 1 1 A 5 5 ILE CA C 5 60.288 59.681 0.607 1
1 47 . 15 1 1 A 5 5 ILE CB C 5 40.902 41.177 -0.275 1
1 51 . 15 1 1 A 5 5 ILE N N 5 126.355 125.136 1.219 1
1 52 . 15 1 1 A 6 6 THR H H 6 8.796 8.659 0.137 1
1 53 . 15 1 1 A 6 6 THR HA H 6 4.654 4.888 -0.234 1
1 58 . 15 1 1 A 6 6 THR CA C 6 60.751 60.439 0.312 1
1 59 . 15 1 1 A 6 6 THR CB C 6 71.993 70.787 1.206 1
1 61 . 15 1 1 A 6 6 THR N N 6 123.546 121.560 1.986 1
1 62 . 15 1 1 A 7 7 GLY H H 7 8.833 9.154 -0.321 1
1 63 . 15 1 1 A 7 7 GLY HA2 H 7 3.764 4.161 -0.397 1
1 64 . 15 1 1 A 7 7 GLY HA3 H 7 5.071 4.165 0.906 1
1 65 . 15 1 1 A 7 7 GLY CA C 7 44.318 44.962 -0.644 1
1 66 . 15 1 1 A 7 7 GLY N N 7 112.240 115.047 -2.807 1
1 67 . 15 1 1 A 8 8 ASN H H 8 8.962 8.783 0.179 1
1 68 . 15 1 1 A 8 8 ASN HA H 8 4.828 5.440 -0.612 1
1 71 . 15 1 1 A 8 8 ASN CA C 8 52.799 51.803 0.996 1
1 72 . 15 1 1 A 8 8 ASN CB C 8 39.244 39.716 -0.472 1
1 73 . 15 1 1 A 8 8 ASN N N 8 124.384 121.115 3.269 1
1 74 . 15 1 1 A 9 9 ASN H H 9 8.756 9.063 -0.307 1
1 75 . 15 1 1 A 9 9 ASN HA H 9 4.248 4.293 -0.045 1
1 78 . 15 1 1 A 9 9 ASN CA C 9 53.998 54.252 -0.254 1
1 79 . 15 1 1 A 9 9 ASN CB C 9 37.231 37.698 -0.467 1
1 80 . 15 1 1 A 9 9 ASN N N 9 120.082 118.224 1.858 1
1 81 . 15 1 1 A 10 10 VAL H H 10 6.825 7.468 -0.643 1
1 82 . 15 1 1 A 10 10 VAL HA H 10 4.097 4.634 -0.537 1
1 90 . 15 1 1 A 10 10 VAL CA C 10 60.425 60.637 -0.212 1
1 91 . 15 1 1 A 10 10 VAL CB C 10 34.765 36.019 -1.254 1
1 94 . 15 1 1 A 10 10 VAL N N 10 115.342 117.951 -2.609 1
1 95 . 15 1 1 A 11 11 GLU H H 11 8.347 8.545 -0.198 1
1 96 . 15 1 1 A 11 11 GLU HA H 11 4.174 4.603 -0.429 1
1 101 . 15 1 1 A 11 11 GLU CA C 11 55.442 56.058 -0.616 1
1 102 . 15 1 1 A 11 11 GLU CB C 11 30.114 30.090 0.024 1
1 104 . 15 1 1 A 11 11 GLU N N 11 129.115 126.162 2.953 1
1 105 . 15 1 1 A 12 12 ILE H H 12 8.942 8.462 0.480 1
1 106 . 15 1 1 A 12 12 ILE HA H 12 4.034 4.144 -0.110 1
1 116 . 15 1 1 A 12 12 ILE CA C 12 58.894 61.763 -2.869 1
1 117 . 15 1 1 A 12 12 ILE CB C 12 33.240 37.175 -3.935 1
1 121 . 15 1 1 A 12 12 ILE N N 12 128.622 125.809 2.813 1
1 122 . 15 1 1 A 13 13 THR H H 13 6.818 8.357 -1.539 1
1 123 . 15 1 1 A 13 13 THR HA H 13 4.429 4.947 -0.518 1
1 128 . 15 1 1 A 13 13 THR CA C 13 60.052 59.901 0.151 1
1 129 . 15 1 1 A 13 13 THR CB C 13 70.842 70.818 0.024 1
1 131 . 15 1 1 A 13 13 THR N N 13 119.687 119.042 0.645 1
1 132 . 15 1 1 A 14 14 GLU H H 14 8.969 8.913 0.056 1
1 133 . 15 1 1 A 14 14 GLU HA H 14 4.024 3.982 0.042 1
1 138 . 15 1 1 A 14 14 GLU CA C 14 59.794 60.245 -0.451 1
1 139 . 15 1 1 A 14 14 GLU CB C 14 28.845 29.439 -0.594 1
1 141 . 15 1 1 A 14 14 GLU N N 14 123.290 123.391 -0.101 1
1 142 . 15 1 1 A 15 15 ALA H H 15 8.334 7.790 0.544 1
1 143 . 15 1 1 A 15 15 ALA HA H 15 4.151 4.131 0.020 1
1 147 . 15 1 1 A 15 15 ALA CA C 15 55.076 55.155 -0.079 1
1 148 . 15 1 1 A 15 15 ALA CB C 15 18.008 18.451 -0.443 1
1 149 . 15 1 1 A 15 15 ALA N N 15 121.958 122.020 -0.062 1
1 150 . 15 1 1 A 16 16 LEU H H 16 7.765 8.101 -0.336 1
1 151 . 15 1 1 A 16 16 LEU HA H 16 4.240 4.280 -0.040 1
1 161 . 15 1 1 A 16 16 LEU CA C 16 57.674 57.802 -0.128 1
1 162 . 15 1 1 A 16 16 LEU CB C 16 42.122 41.991 0.131 1
1 166 . 15 1 1 A 16 16 LEU N N 16 123.064 119.776 3.288 1
1 167 . 15 1 1 A 17 17 ARG H H 17 8.627 8.532 0.095 1
1 168 . 15 1 1 A 17 17 ARG HA H 17 3.595 4.089 -0.494 1
1 175 . 15 1 1 A 17 17 ARG CA C 17 60.573 59.176 1.397 1
1 176 . 15 1 1 A 17 17 ARG CB C 17 29.679 30.047 -0.368 1
1 179 . 15 1 1 A 17 17 ARG N N 17 121.878 118.227 3.651 1
1 180 . 15 1 1 A 18 18 GLU H H 18 8.665 8.580 0.085 1
1 181 . 15 1 1 A 18 18 GLU HA H 18 3.952 4.131 -0.179 1
1 186 . 15 1 1 A 18 18 GLU CA C 18 59.654 59.131 0.523 1
1 187 . 15 1 1 A 18 18 GLU CB C 18 29.301 29.211 0.090 1
1 189 . 15 1 1 A 18 18 GLU N N 18 123.257 118.508 4.749 1
1 190 . 15 1 1 A 19 19 PHE H H 19 8.026 8.165 -0.139 1
1 191 . 15 1 1 A 19 19 PHE HA H 19 4.258 4.131 0.127 1
1 195 . 15 1 1 A 19 19 PHE CA C 19 61.640 61.381 0.259 1
1 196 . 15 1 1 A 19 19 PHE CB C 19 39.547 39.384 0.163 1
1 198 . 15 1 1 A 19 19 PHE N N 19 123.888 121.958 1.930 1
1 199 . 15 1 1 A 20 20 VAL H H 20 8.734 8.205 0.529 1
1 200 . 15 1 1 A 20 20 VAL HA H 20 3.336 3.647 -0.311 1
1 208 . 15 1 1 A 20 20 VAL CA C 20 67.245 66.627 0.618 1
1 209 . 15 1 1 A 20 20 VAL CB C 20 31.965 31.851 0.114 1
1 212 . 15 1 1 A 20 20 VAL N N 20 119.762 118.899 0.863 1
1 213 . 15 1 1 A 21 21 THR H H 21 8.213 7.996 0.217 1
1 214 . 15 1 1 A 21 21 THR HA H 21 3.615 3.960 -0.345 1
1 218 . 15 1 1 A 21 21 THR CA C 21 67.657 66.325 1.332 1
1 219 . 15 1 1 A 21 21 THR CB C 21 68.697 68.327 0.370 1
1 221 . 15 1 1 A 21 21 THR N N 21 117.446 115.765 1.681 1
1 222 . 15 1 1 A 22 22 ALA H H 22 8.050 8.390 -0.340 1
1 223 . 15 1 1 A 22 22 ALA HA H 22 4.084 3.937 0.147 1
1 227 . 15 1 1 A 22 22 ALA CA C 22 54.998 55.512 -0.514 1
1 228 . 15 1 1 A 22 22 ALA CB C 22 17.880 18.181 -0.301 1
1 229 . 15 1 1 A 22 22 ALA N N 22 125.291 123.233 2.058 1
1 230 . 15 1 1 A 23 23 LYS H H 23 7.868 7.448 0.420 1
1 231 . 15 1 1 A 23 23 LYS HA H 23 3.886 3.902 -0.016 1
1 240 . 15 1 1 A 23 23 LYS CA C 23 57.286 58.765 -1.479 1
1 241 . 15 1 1 A 23 23 LYS CB C 23 30.651 32.392 -1.741 1
1 245 . 15 1 1 A 23 23 LYS N N 23 119.332 117.498 1.834 1
1 246 . 15 1 1 A 24 24 PHE H H 24 8.369 8.067 0.302 1
1 247 . 15 1 1 A 24 24 PHE HA H 24 3.805 4.471 -0.666 1
1 252 . 15 1 1 A 24 24 PHE CA C 24 62.055 60.299 1.756 1
1 253 . 15 1 1 A 24 24 PHE CB C 24 38.744 38.714 0.030 1
1 256 . 15 1 1 A 24 24 PHE N N 24 119.142 119.165 -0.023 1
1 257 . 15 1 1 A 25 25 ALA H H 25 7.879 8.540 -0.661 1
1 258 . 15 1 1 A 25 25 ALA HA H 25 4.140 4.124 0.016 1
1 262 . 15 1 1 A 25 25 ALA CA C 25 55.014 55.395 -0.381 1
1 263 . 15 1 1 A 25 25 ALA CB C 25 17.773 18.168 -0.395 1
1 264 . 15 1 1 A 25 25 ALA N N 25 123.500 121.733 1.767 1
1 265 . 15 1 1 A 26 26 LYS H H 26 7.217 7.584 -0.367 1
1 266 . 15 1 1 A 26 26 LYS HA H 26 4.024 3.867 0.157 1
1 275 . 15 1 1 A 26 26 LYS CA C 26 58.189 59.013 -0.824 1
1 276 . 15 1 1 A 26 26 LYS CB C 26 32.033 32.109 -0.076 1
1 280 . 15 1 1 A 26 26 LYS N N 26 118.541 118.628 -0.087 1
1 281 . 15 1 1 A 27 27 LEU H H 27 7.773 8.044 -0.271 1
1 282 . 15 1 1 A 27 27 LEU HA H 27 4.257 3.792 0.465 1
1 292 . 15 1 1 A 27 27 LEU CA C 27 55.889 56.882 -0.993 1
1 293 . 15 1 1 A 27 27 LEU CB C 27 41.083 41.767 -0.684 1
1 297 . 15 1 1 A 27 27 LEU N N 27 118.340 119.969 -1.629 1
1 298 . 15 1 1 A 28 28 GLU H H 28 7.296 8.426 -1.130 1
1 299 . 15 1 1 A 28 28 GLU HA H 28 3.489 4.370 -0.881 1
1 304 . 15 1 1 A 28 28 GLU CA C 28 58.336 59.034 -0.698 1
1 305 . 15 1 1 A 28 28 GLU CB C 28 29.265 29.802 -0.537 1
1 307 . 15 1 1 A 28 28 GLU N N 28 119.557 120.343 -0.786 1
1 308 . 15 1 1 A 29 29 GLN H H 29 7.783 7.639 0.144 1
1 309 . 15 1 1 A 29 29 GLN HA H 29 3.923 3.983 -0.060 1
1 314 . 15 1 1 A 29 29 GLN CA C 29 57.387 58.284 -0.897 1
1 315 . 15 1 1 A 29 29 GLN CB C 29 28.082 28.660 -0.578 1
1 317 . 15 1 1 A 29 29 GLN N N 29 117.927 119.128 -1.201 1
1 318 . 15 1 1 A 30 30 TYR H H 30 7.731 6.883 0.848 1
1 319 . 15 1 1 A 30 30 TYR HA H 30 4.433 4.444 -0.011 1
1 324 . 15 1 1 A 30 30 TYR CA C 30 58.371 57.647 0.724 1
1 325 . 15 1 1 A 30 30 TYR CB C 30 39.297 39.003 0.294 1
1 328 . 15 1 1 A 30 30 TYR N N 30 118.639 116.278 2.361 1
1 329 . 15 1 1 A 31 31 PHE H H 31 7.652 7.740 -0.088 1
1 330 . 15 1 1 A 31 31 PHE HA H 31 4.605 5.120 -0.515 1
1 334 . 15 1 1 A 31 31 PHE CA C 31 58.507 56.074 2.433 1
1 335 . 15 1 1 A 31 31 PHE CB C 31 40.438 41.355 -0.917 1
1 337 . 15 1 1 A 31 31 PHE N N 31 119.753 119.448 0.305 1
1 338 . 15 1 1 A 32 32 ASP H H 32 8.087 8.793 -0.706 1
1 339 . 15 1 1 A 32 32 ASP HA H 32 4.465 4.932 -0.467 1
1 342 . 15 1 1 A 32 32 ASP CA C 32 55.094 55.044 0.050 1
1 343 . 15 1 1 A 32 32 ASP CB C 32 40.511 42.242 -1.731 1
1 344 . 15 1 1 A 32 32 ASP N N 32 121.865 123.791 -1.926 1
1 345 . 15 1 1 A 33 33 ARG H H 33 7.083 8.026 -0.943 1
1 346 . 15 1 1 A 33 33 ARG HA H 33 4.412 4.510 -0.098 1
1 353 . 15 1 1 A 33 33 ARG CA C 33 55.082 55.682 -0.600 1
1 354 . 15 1 1 A 33 33 ARG CB C 33 30.409 28.614 1.795 1
1 357 . 15 1 1 A 33 33 ARG N N 33 119.603 116.690 2.913 1
1 358 . 15 1 1 A 34 34 ILE H H 34 8.139 8.446 -0.307 1
1 359 . 15 1 1 A 34 34 ILE HA H 34 4.051 4.791 -0.740 1
1 369 . 15 1 1 A 34 34 ILE CA C 34 61.543 60.693 0.850 1
1 370 . 15 1 1 A 34 34 ILE CB C 34 39.510 41.293 -1.783 1
1 374 . 15 1 1 A 34 34 ILE N N 34 123.576 124.011 -0.435 1
1 375 . 15 1 1 A 35 35 ASN H H 35 8.560 8.888 -0.328 1
1 376 . 15 1 1 A 35 35 ASN HA H 35 4.870 4.880 -0.010 1
1 379 . 15 1 1 A 35 35 ASN CA C 35 53.877 54.359 -0.482 1
1 380 . 15 1 1 A 35 35 ASN CB C 35 38.806 39.066 -0.260 1
1 381 . 15 1 1 A 35 35 ASN N N 35 126.934 122.549 4.385 1
1 382 . 15 1 1 A 36 36 GLN H H 36 7.843 7.980 -0.137 1
1 383 . 15 1 1 A 36 36 GLN HA H 36 4.519 4.915 -0.396 1
1 388 . 15 1 1 A 36 36 GLN CA C 36 56.345 54.533 1.812 1
1 389 . 15 1 1 A 36 36 GLN CB C 36 31.240 31.895 -0.655 1
1 391 . 15 1 1 A 36 36 GLN N N 36 120.673 117.769 2.904 1
1 392 . 15 1 1 A 37 37 VAL H H 37 8.330 8.646 -0.316 1
1 393 . 15 1 1 A 37 37 VAL HA H 37 4.693 4.883 -0.190 1
1 401 . 15 1 1 A 37 37 VAL CA C 37 60.789 59.882 0.907 1
1 402 . 15 1 1 A 37 37 VAL CB C 37 34.740 34.366 0.374 1
1 405 . 15 1 1 A 37 37 VAL N N 37 123.403 120.681 2.722 1
1 406 . 15 1 1 A 38 38 TYR H H 38 8.943 7.973 0.970 1
1 407 . 15 1 1 A 38 38 TYR HA H 38 5.039 6.084 -1.045 1
1 412 . 15 1 1 A 38 38 TYR CA C 38 57.028 55.300 1.728 1
1 413 . 15 1 1 A 38 38 TYR CB C 38 39.705 42.135 -2.430 1
1 416 . 15 1 1 A 38 38 TYR N N 38 129.202 120.428 8.774 1
1 417 . 15 1 1 A 39 39 VAL H H 39 9.053 9.050 0.003 1
1 418 . 15 1 1 A 39 39 VAL HA H 39 5.048 5.018 0.030 1
1 426 . 15 1 1 A 39 39 VAL CA C 39 60.685 60.567 0.118 1
1 427 . 15 1 1 A 39 39 VAL CB C 39 34.107 35.252 -1.145 1
1 430 . 15 1 1 A 39 39 VAL N N 39 127.771 123.252 4.519 1
1 431 . 15 1 1 A 40 40 VAL H H 40 9.276 8.699 0.577 1
1 432 . 15 1 1 A 40 40 VAL HA H 40 4.862 4.819 0.043 1
1 440 . 15 1 1 A 40 40 VAL CA C 40 60.896 61.032 -0.136 1
1 441 . 15 1 1 A 40 40 VAL CB C 40 34.411 35.833 -1.422 1
1 444 . 15 1 1 A 40 40 VAL N N 40 130.939 126.285 4.654 1
1 445 . 15 1 1 A 41 41 LEU H H 41 8.714 8.306 0.408 1
1 446 . 15 1 1 A 41 41 LEU HA H 41 5.111 5.667 -0.556 1
1 456 . 15 1 1 A 41 41 LEU CA C 41 53.150 53.121 0.029 1
1 457 . 15 1 1 A 41 41 LEU CB C 41 42.538 44.903 -2.365 1
1 461 . 15 1 1 A 41 41 LEU N N 41 130.200 125.612 4.588 1
1 462 . 15 1 1 A 42 42 LYS H H 42 8.955 9.880 -0.925 1
1 463 . 15 1 1 A 42 42 LYS HA H 42 5.180 5.503 -0.323 1
1 472 . 15 1 1 A 42 42 LYS CA C 42 55.017 54.818 0.199 1
1 473 . 15 1 1 A 42 42 LYS CB C 42 36.649 35.145 1.504 1
1 477 . 15 1 1 A 42 42 LYS N N 42 124.155 123.436 0.719 1
1 478 . 15 1 1 A 43 43 VAL H H 43 7.515 8.635 -1.120 1
1 479 . 15 1 1 A 43 43 VAL HA H 43 4.360 4.546 -0.186 1
1 487 . 15 1 1 A 43 43 VAL CA C 43 61.230 61.455 -0.225 1
1 488 . 15 1 1 A 43 43 VAL CB C 43 33.656 33.712 -0.056 1
1 491 . 15 1 1 A 43 43 VAL N N 43 124.332 124.741 -0.409 1
1 492 . 15 1 1 A 44 44 GLU H H 44 8.092 8.107 -0.015 1
1 493 . 15 1 1 A 44 44 GLU HA H 44 4.368 4.822 -0.454 1
1 498 . 15 1 1 A 44 44 GLU CA C 44 55.445 54.380 1.065 1
1 499 . 15 1 1 A 44 44 GLU CB C 44 31.404 32.998 -1.594 1
1 501 . 15 1 1 A 44 44 GLU N N 44 130.594 127.195 3.399 1
1 502 . 15 1 1 A 45 45 LYS H H 45 8.982 8.741 0.241 1
1 503 . 15 1 1 A 45 45 LYS HA H 45 3.695 3.877 -0.182 1
1 512 . 15 1 1 A 45 45 LYS CA C 45 59.588 58.739 0.849 1
1 513 . 15 1 1 A 45 45 LYS CB C 45 30.077 32.249 -2.172 1
1 517 . 15 1 1 A 45 45 LYS N N 45 125.587 120.953 4.634 1
1 518 . 15 1 1 A 46 46 VAL H H 46 7.710 7.283 0.427 1
1 519 . 15 1 1 A 46 46 VAL HA H 46 4.346 4.124 0.222 1
1 527 . 15 1 1 A 46 46 VAL CA C 46 61.342 63.545 -2.203 1
1 528 . 15 1 1 A 46 46 VAL CB C 46 31.917 31.980 -0.063 1
1 531 . 15 1 1 A 46 46 VAL N N 46 115.763 113.304 2.459 1
1 532 . 15 1 1 A 47 47 THR H H 47 8.151 7.748 0.403 1
1 533 . 15 1 1 A 47 47 THR HA H 47 4.397 5.165 -0.768 1
1 538 . 15 1 1 A 47 47 THR CA C 47 63.072 61.472 1.600 1
1 539 . 15 1 1 A 47 47 THR CB C 47 69.615 72.259 -2.644 1
1 541 . 15 1 1 A 47 47 THR N N 47 120.888 113.478 7.410 1
1 542 . 15 1 1 A 48 48 HIS H H 48 8.753 9.302 -0.549 1
1 543 . 15 1 1 A 48 48 HIS HA H 48 4.826 4.987 -0.161 1
1 547 . 15 1 1 A 48 48 HIS CA C 48 55.978 55.477 0.501 1
1 548 . 15 1 1 A 48 48 HIS CB C 48 30.476 31.142 -0.666 1
1 550 . 15 1 1 A 48 48 HIS N N 48 130.755 123.005 7.750 1
1 551 . 15 1 1 A 49 49 THR H H 49 9.136 8.552 0.584 1
1 552 . 15 1 1 A 49 49 THR HA H 49 5.245 5.086 0.159 1
1 557 . 15 1 1 A 49 49 THR CA C 49 60.941 61.135 -0.194 1
1 558 . 15 1 1 A 49 49 THR CB C 49 71.411 71.179 0.232 1
1 560 . 15 1 1 A 49 49 THR N N 49 118.522 116.773 1.749 1
1 561 . 15 1 1 A 50 50 SER H H 50 9.050 9.309 -0.259 1
1 562 . 15 1 1 A 50 50 SER HA H 50 5.348 5.645 -0.297 1
1 565 . 15 1 1 A 50 50 SER CA C 50 55.645 56.689 -1.044 1
1 566 . 15 1 1 A 50 50 SER CB C 50 66.579 65.891 0.688 1
1 567 . 15 1 1 A 50 50 SER N N 50 119.749 121.312 -1.563 1
1 568 . 15 1 1 A 51 51 ASP H H 51 8.843 9.607 -0.764 1
1 569 . 15 1 1 A 51 51 ASP HA H 51 5.363 5.798 -0.435 1
1 572 . 15 1 1 A 51 51 ASP CA C 51 52.879 52.245 0.634 1
1 573 . 15 1 1 A 51 51 ASP CB C 51 45.173 45.002 0.171 1
1 574 . 15 1 1 A 51 51 ASP N N 51 126.330 121.828 4.502 1
1 575 . 15 1 1 A 52 52 ALA H H 52 8.938 8.985 -0.047 1
1 576 . 15 1 1 A 52 52 ALA HA H 52 5.777 5.060 0.717 1
1 580 . 15 1 1 A 52 52 ALA CA C 52 50.806 51.582 -0.776 1
1 581 . 15 1 1 A 52 52 ALA CB C 52 24.676 21.187 3.489 1
1 582 . 15 1 1 A 52 52 ALA N N 52 122.789 121.807 0.982 1
1 583 . 15 1 1 A 53 53 THR H H 53 8.666 8.439 0.227 1
1 584 . 15 1 1 A 53 53 THR HA H 53 4.979 4.913 0.066 1
1 589 . 15 1 1 A 53 53 THR CA C 53 62.026 61.290 0.736 1
1 590 . 15 1 1 A 53 53 THR CB C 53 70.850 69.001 1.849 1
1 592 . 15 1 1 A 53 53 THR N N 53 118.344 118.267 0.077 1
1 593 . 15 1 1 A 54 54 LEU H H 54 9.662 8.758 0.904 1
1 594 . 15 1 1 A 54 54 LEU HA H 54 4.921 4.991 -0.070 1
1 604 . 15 1 1 A 54 54 LEU CA C 54 53.923 53.847 0.076 1
1 605 . 15 1 1 A 54 54 LEU CB C 54 43.782 44.320 -0.538 1
1 609 . 15 1 1 A 54 54 LEU N N 54 129.166 127.628 1.538 1
1 610 . 15 1 1 A 55 55 HIS H H 55 8.956 9.156 -0.200 1
1 611 . 15 1 1 A 55 55 HIS HA H 55 4.882 5.131 -0.249 1
1 615 . 15 1 1 A 55 55 HIS CA C 55 56.326 55.305 1.021 1
1 616 . 15 1 1 A 55 55 HIS CB C 55 30.431 30.844 -0.413 1
1 618 . 15 1 1 A 55 55 HIS N N 55 126.094 122.184 3.910 1
1 619 . 15 1 1 A 56 56 VAL H H 56 8.151 8.951 -0.800 1
1 620 . 15 1 1 A 56 56 VAL HA H 56 4.856 4.489 0.367 1
1 628 . 15 1 1 A 56 56 VAL CA C 56 58.734 59.674 -0.940 1
1 629 . 15 1 1 A 56 56 VAL CB C 56 34.523 33.526 0.997 1
1 632 . 15 1 1 A 56 56 VAL N N 56 120.242 122.795 -2.553 1
1 633 . 15 1 1 A 57 57 ASN H H 57 8.970 8.816 0.154 1
1 634 . 15 1 1 A 57 57 ASN HA H 57 4.463 4.395 0.068 1
1 637 . 15 1 1 A 57 57 ASN CA C 57 54.963 56.545 -1.582 1
1 638 . 15 1 1 A 57 57 ASN CB C 57 37.481 38.255 -0.774 1
1 639 . 15 1 1 A 57 57 ASN N N 57 124.652 122.440 2.212 1
1 640 . 15 1 1 A 58 58 GLY H H 58 8.868 7.944 0.924 1
1 641 . 15 1 1 A 58 58 GLY HA2 H 58 3.814 3.922 -0.108 1
1 642 . 15 1 1 A 58 58 GLY HA3 H 58 4.152 3.927 0.225 1
1 643 . 15 1 1 A 58 58 GLY CA C 58 45.606 45.452 0.154 1
1 644 . 15 1 1 A 58 58 GLY N N 58 112.816 106.890 5.926 1
1 645 . 15 1 1 A 59 59 GLY H H 59 7.848 7.543 0.305 1
1 646 . 15 1 1 A 59 59 GLY HA2 H 59 3.978 3.917 0.061 1
1 647 . 15 1 1 A 59 59 GLY HA3 H 59 4.153 3.953 0.200 1
1 648 . 15 1 1 A 59 59 GLY CA C 59 45.321 45.476 -0.155 1
1 649 . 15 1 1 A 59 59 GLY N N 59 109.857 107.752 2.105 1
1 650 . 15 1 1 A 60 60 GLU H H 60 8.262 8.685 -0.423 1
1 651 . 15 1 1 A 60 60 GLU HA H 60 5.110 4.933 0.177 1
1 656 . 15 1 1 A 60 60 GLU CA C 60 54.756 54.749 0.007 1
1 657 . 15 1 1 A 60 60 GLU CB C 60 32.933 33.323 -0.390 1
1 659 . 15 1 1 A 60 60 GLU N N 60 121.732 120.112 1.620 1
1 660 . 15 1 1 A 61 61 ILE H H 61 8.764 8.717 0.047 1
1 661 . 15 1 1 A 61 61 ILE HA H 61 4.286 4.808 -0.522 1
1 671 . 15 1 1 A 61 61 ILE CA C 61 59.713 60.210 -0.497 1
1 672 . 15 1 1 A 61 61 ILE CB C 61 41.194 39.687 1.507 1
1 676 . 15 1 1 A 61 61 ILE N N 61 124.817 124.187 0.630 1
1 677 . 15 1 1 A 62 62 HIS H H 62 8.907 8.884 0.023 1
1 678 . 15 1 1 A 62 62 HIS HA H 62 5.743 5.208 0.535 1
1 682 . 15 1 1 A 62 62 HIS CA C 62 54.009 53.473 0.536 1
1 683 . 15 1 1 A 62 62 HIS CB C 62 32.365 33.096 -0.731 1
1 685 . 15 1 1 A 62 62 HIS N N 62 127.338 126.892 0.446 1
1 686 . 15 1 1 A 63 63 ALA H H 63 8.298 9.087 -0.789 1
1 687 . 15 1 1 A 63 63 ALA HA H 63 4.480 5.470 -0.990 1
1 691 . 15 1 1 A 63 63 ALA CA C 63 51.764 49.937 1.827 1
1 692 . 15 1 1 A 63 63 ALA CB C 63 23.678 23.068 0.610 1
1 693 . 15 1 1 A 63 63 ALA N N 63 125.511 130.483 -4.972 1
1 694 . 15 1 1 A 64 64 SER H H 64 8.070 8.700 -0.630 1
1 695 . 15 1 1 A 64 64 SER HA H 64 5.286 5.381 -0.095 1
1 698 . 15 1 1 A 64 64 SER CA C 64 56.782 56.828 -0.046 1
1 699 . 15 1 1 A 64 64 SER CB C 64 65.895 65.371 0.524 1
1 700 . 15 1 1 A 64 64 SER N N 64 114.469 114.798 -0.329 1
1 701 . 15 1 1 A 65 65 ALA H H 65 8.904 9.487 -0.583 1
1 702 . 15 1 1 A 65 65 ALA HA H 65 4.669 5.275 -0.606 1
1 706 . 15 1 1 A 65 65 ALA CA C 65 51.753 50.520 1.233 1
1 707 . 15 1 1 A 65 65 ALA CB C 65 22.599 23.787 -1.188 1
1 708 . 15 1 1 A 65 65 ALA N N 65 126.977 129.021 -2.044 1
1 709 . 15 1 1 A 66 66 GLU H H 66 8.200 9.128 -0.928 1
1 710 . 15 1 1 A 66 66 GLU HA H 66 5.680 5.263 0.417 1
1 715 . 15 1 1 A 66 66 GLU CA C 66 53.650 54.608 -0.958 1
1 716 . 15 1 1 A 66 66 GLU CB C 66 33.741 34.112 -0.371 1
1 718 . 15 1 1 A 66 66 GLU N N 66 119.267 116.552 2.715 1
1 719 . 15 1 1 A 67 67 GLY H H 67 8.836 8.393 0.443 1
1 720 . 15 1 1 A 67 67 GLY HA2 H 67 4.490 4.239 0.251 1
1 721 . 15 1 1 A 67 67 GLY HA3 H 67 3.728 4.261 -0.533 1
1 722 . 15 1 1 A 67 67 GLY CA C 67 45.157 45.223 -0.066 1
1 723 . 15 1 1 A 67 67 GLY N N 67 108.048 106.528 1.520 1
1 724 . 15 1 1 A 68 68 GLN H H 68 8.997 8.682 0.315 1
1 725 . 15 1 1 A 68 68 GLN HA H 68 4.440 4.065 0.375 1
1 730 . 15 1 1 A 68 68 GLN CA C 68 56.996 57.756 -0.760 1
1 731 . 15 1 1 A 68 68 GLN CB C 68 28.694 29.150 -0.456 1
1 733 . 15 1 1 A 68 68 GLN N N 68 119.961 119.527 0.434 1
1 734 . 15 1 1 A 69 69 ASP H H 69 7.542 7.352 0.190 1
1 735 . 15 1 1 A 69 69 ASP HA H 69 3.242 4.220 -0.978 1
1 738 . 15 1 1 A 69 69 ASP CA C 69 51.838 52.527 -0.689 1
1 739 . 15 1 1 A 69 69 ASP CB C 69 42.829 42.241 0.588 1
1 740 . 15 1 1 A 69 69 ASP N N 69 115.279 114.171 1.108 1
1 741 . 15 1 1 A 70 70 MET H H 70 8.409 8.379 0.030 1
1 742 . 15 1 1 A 70 70 MET HA H 70 4.200 4.104 0.096 1
1 747 . 15 1 1 A 70 70 MET CA C 70 56.505 57.849 -1.344 1
1 748 . 15 1 1 A 70 70 MET CB C 70 31.533 32.207 -0.674 1
1 750 . 15 1 1 A 70 70 MET N N 70 120.495 118.197 2.298 1
1 751 . 15 1 1 A 71 71 TYR H H 71 7.304 7.231 0.073 1
1 752 . 15 1 1 A 71 71 TYR HA H 71 3.832 4.297 -0.465 1
1 757 . 15 1 1 A 71 71 TYR CA C 71 60.141 60.530 -0.389 1
1 758 . 15 1 1 A 71 71 TYR CB C 71 35.788 38.885 -3.097 1
1 761 . 15 1 1 A 71 71 TYR N N 71 120.024 117.858 2.166 1
1 762 . 15 1 1 A 72 72 ALA H H 72 8.474 8.392 0.082 1
1 763 . 15 1 1 A 72 72 ALA HA H 72 4.213 3.990 0.223 1
1 767 . 15 1 1 A 72 72 ALA CA C 72 54.526 55.222 -0.696 1
1 768 . 15 1 1 A 72 72 ALA CB C 72 18.884 18.182 0.702 1
1 769 . 15 1 1 A 72 72 ALA N N 72 123.384 122.952 0.432 1
1 770 . 15 1 1 A 73 73 ALA H H 73 7.595 7.869 -0.274 1
1 771 . 15 1 1 A 73 73 ALA HA H 73 3.731 4.144 -0.413 1
1 775 . 15 1 1 A 73 73 ALA CA C 73 55.647 54.837 0.810 1
1 776 . 15 1 1 A 73 73 ALA CB C 73 17.460 18.511 -1.051 1
1 777 . 15 1 1 A 73 73 ALA N N 73 123.415 119.819 3.596 1
1 778 . 15 1 1 A 74 74 ILE H H 74 7.958 7.965 -0.007 1
1 779 . 15 1 1 A 74 74 ILE HA H 74 3.692 3.820 -0.128 1
1 789 . 15 1 1 A 74 74 ILE CA C 74 63.902 64.746 -0.844 1
1 790 . 15 1 1 A 74 74 ILE CB C 74 37.010 36.934 0.076 1
1 794 . 15 1 1 A 74 74 ILE N N 74 119.834 119.241 0.593 1
1 795 . 15 1 1 A 75 75 ASP H H 75 8.468 8.287 0.181 1
1 796 . 15 1 1 A 75 75 ASP HA H 75 4.282 4.396 -0.114 1
1 799 . 15 1 1 A 75 75 ASP CA C 75 58.107 57.540 0.567 1
1 800 . 15 1 1 A 75 75 ASP CB C 75 40.628 40.411 0.217 1
1 801 . 15 1 1 A 75 75 ASP N N 75 122.091 121.718 0.373 1
1 802 . 15 1 1 A 76 76 GLY H H 76 8.041 8.200 -0.159 1
1 803 . 15 1 1 A 76 76 GLY HA2 H 76 3.845 3.725 0.120 1
1 804 . 15 1 1 A 76 76 GLY HA3 H 76 3.863 3.728 0.135 1
1 805 . 15 1 1 A 76 76 GLY CA C 76 46.668 46.998 -0.330 1
1 806 . 15 1 1 A 76 76 GLY N N 76 108.081 108.399 -0.318 1
1 807 . 15 1 1 A 77 77 LEU H H 77 8.088 7.900 0.188 1
1 808 . 15 1 1 A 77 77 LEU HA H 77 3.709 4.210 -0.501 1
1 818 . 15 1 1 A 77 77 LEU CA C 77 57.865 57.506 0.359 1
1 819 . 15 1 1 A 77 77 LEU CB C 77 41.828 41.890 -0.062 1
1 823 . 15 1 1 A 77 77 LEU N N 77 126.711 123.201 3.510 1
1 824 . 15 1 1 A 78 78 ILE H H 78 8.155 8.372 -0.217 1
1 825 . 15 1 1 A 78 78 ILE HA H 78 3.316 3.841 -0.525 1
1 835 . 15 1 1 A 78 78 ILE CA C 78 62.813 63.545 -0.732 1
1 836 . 15 1 1 A 78 78 ILE CB C 78 34.810 37.159 -2.349 1
1 840 . 15 1 1 A 78 78 ILE N N 78 120.409 119.321 1.088 1
1 841 . 15 1 1 A 79 79 ASP H H 79 7.408 7.748 -0.340 1
1 842 . 15 1 1 A 79 79 ASP HA H 79 4.274 4.433 -0.159 1
1 845 . 15 1 1 A 79 79 ASP CA C 79 57.605 56.578 1.027 1
1 846 . 15 1 1 A 79 79 ASP CB C 79 41.017 41.024 -0.007 1
1 847 . 15 1 1 A 79 79 ASP N N 79 120.497 122.509 -2.012 1
1 848 . 15 1 1 A 80 80 LYS H H 80 7.536 7.803 -0.267 1
1 849 . 15 1 1 A 80 80 LYS HA H 80 3.931 4.035 -0.104 1
1 858 . 15 1 1 A 80 80 LYS CA C 80 59.952 58.925 1.027 1
1 859 . 15 1 1 A 80 80 LYS CB C 80 33.221 31.876 1.345 1
1 863 . 15 1 1 A 80 80 LYS N N 80 119.684 117.899 1.785 1
1 864 . 15 1 1 A 81 81 LEU H H 81 8.473 7.910 0.563 1
1 865 . 15 1 1 A 81 81 LEU HA H 81 3.765 3.917 -0.152 1
1 875 . 15 1 1 A 81 81 LEU CA C 81 57.564 57.717 -0.153 1
1 876 . 15 1 1 A 81 81 LEU CB C 81 42.473 41.690 0.783 1
1 880 . 15 1 1 A 81 81 LEU N N 81 121.519 120.688 0.831 1
1 881 . 15 1 1 A 82 82 ALA H H 82 8.682 8.147 0.535 1
1 882 . 15 1 1 A 82 82 ALA HA H 82 3.479 4.144 -0.665 1
1 886 . 15 1 1 A 82 82 ALA CA C 82 55.731 55.637 0.094 1
1 887 . 15 1 1 A 82 82 ALA CB C 82 17.388 18.486 -1.098 1
1 888 . 15 1 1 A 82 82 ALA N N 82 123.814 121.271 2.543 1
1 889 . 15 1 1 A 83 83 ARG H H 83 7.329 7.851 -0.522 1
1 890 . 15 1 1 A 83 83 ARG HA H 83 3.981 4.155 -0.174 1
1 897 . 15 1 1 A 83 83 ARG CA C 83 59.137 59.717 -0.580 1
1 898 . 15 1 1 A 83 83 ARG CB C 83 29.971 30.153 -0.182 1
1 901 . 15 1 1 A 83 83 ARG N N 83 118.219 117.650 0.569 1
1 902 . 15 1 1 A 84 84 GLN H H 84 7.750 7.615 0.135 1
1 903 . 15 1 1 A 84 84 GLN HA H 84 4.047 4.107 -0.060 1
1 906 . 15 1 1 A 84 84 GLN CA C 84 58.685 58.401 0.284 1
1 907 . 15 1 1 A 84 84 GLN CB C 84 29.903 28.559 1.344 1
1 909 . 15 1 1 A 84 84 GLN N N 84 119.887 119.314 0.573 1
1 910 . 15 1 1 A 85 85 LEU H H 85 8.610 8.552 0.058 1
1 911 . 15 1 1 A 85 85 LEU HA H 85 3.788 3.759 0.029 1
1 920 . 15 1 1 A 85 85 LEU CA C 85 57.600 57.591 0.009 1
1 921 . 15 1 1 A 85 85 LEU CB C 85 41.178 40.951 0.227 1
1 925 . 15 1 1 A 85 85 LEU N N 85 122.951 120.079 2.872 1
1 926 . 15 1 1 A 86 86 THR H H 86 7.709 8.341 -0.632 1
1 927 . 15 1 1 A 86 86 THR HA H 86 4.056 4.155 -0.099 1
1 932 . 15 1 1 A 86 86 THR CA C 86 65.924 66.228 -0.304 1
1 933 . 15 1 1 A 86 86 THR CB C 86 68.870 68.424 0.446 1
1 935 . 15 1 1 A 86 86 THR N N 86 116.282 110.851 5.431 1
1 936 . 15 1 1 A 87 87 LYS H H 87 7.457 7.617 -0.160 1
1 937 . 15 1 1 A 87 87 LYS HA H 87 4.102 3.896 0.206 1
1 946 . 15 1 1 A 87 87 LYS CA C 87 58.289 59.648 -1.359 1
1 947 . 15 1 1 A 87 87 LYS CB C 87 32.293 32.187 0.106 1
1 951 . 15 1 1 A 87 87 LYS N N 87 122.670 122.823 -0.153 1
1 952 . 15 1 1 A 88 88 HIS H H 88 7.928 8.069 -0.141 1
1 953 . 15 1 1 A 88 88 HIS HA H 88 4.301 4.293 0.008 1
1 957 . 15 1 1 A 88 88 HIS CA C 88 58.361 58.933 -0.572 1
1 958 . 15 1 1 A 88 88 HIS CB C 88 30.766 28.651 2.115 1
1 960 . 15 1 1 A 88 88 HIS N N 88 121.382 116.997 4.385 1
1 961 . 15 1 1 A 89 89 LYS H H 89 7.928 7.848 0.080 1
1 962 . 15 1 1 A 89 89 LYS HA H 89 3.934 4.136 -0.202 1
1 971 . 15 1 1 A 89 89 LYS CA C 89 58.568 58.828 -0.260 1
1 972 . 15 1 1 A 89 89 LYS CB C 89 32.489 32.020 0.469 1
1 976 . 15 1 1 A 89 89 LYS N N 89 121.821 121.415 0.406 1
1 977 . 15 1 1 A 90 90 ASP H H 90 8.143 8.017 0.126 1
1 978 . 15 1 1 A 90 90 ASP HA H 90 4.445 4.401 0.044 1
1 981 . 15 1 1 A 90 90 ASP CA C 90 55.869 57.425 -1.556 1
1 982 . 15 1 1 A 90 90 ASP CB C 90 40.715 40.809 -0.094 1
1 983 . 15 1 1 A 90 90 ASP N N 90 121.199 119.315 1.884 1
1 984 . 15 1 1 A 91 91 LYS H H 91 7.867 7.774 0.093 1
1 985 . 15 1 1 A 91 91 LYS HA H 91 4.130 4.178 -0.048 1
1 994 . 15 1 1 A 91 91 LYS CA C 91 57.421 59.496 -2.075 1
1 995 . 15 1 1 A 91 91 LYS CB C 91 32.365 32.419 -0.054 1
1 999 . 15 1 1 A 91 91 LYS N N 91 121.976 118.465 3.511 1
1 1000 . 15 1 1 A 92 92 LEU H H 92 7.709 8.026 -0.317 1
1 1001 . 15 1 1 A 92 92 LEU HA H 92 4.171 4.591 -0.420 1
1 1011 . 15 1 1 A 92 92 LEU CA C 92 55.449 54.130 1.319 1
1 1012 . 15 1 1 A 92 92 LEU CB C 92 41.871 40.357 1.514 1
1 1016 . 15 1 1 A 92 92 LEU N N 92 121.802 119.903 1.899 1
1 1017 . 15 1 1 A 93 93 LYS H H 93 7.751 8.460 -0.709 1
1 1018 . 15 1 1 A 93 93 LYS HA H 93 4.197 4.341 -0.144 1
1 1027 . 15 1 1 A 93 93 LYS CA C 93 56.420 58.123 -1.703 1
1 1028 . 15 1 1 A 93 93 LYS CB C 93 32.792 33.073 -0.281 1
1 1032 . 15 1 1 A 93 93 LYS N N 93 121.954 124.512 -2.558 1
1 1033 . 15 1 1 A 94 94 GLN H H 94 8.129 7.959 0.170 1
1 1034 . 15 1 1 A 94 94 GLN HA H 94 4.208 4.734 -0.526 1
1 1039 . 15 1 1 A 94 94 GLN CA C 94 55.891 54.913 0.978 1
1 1040 . 15 1 1 A 94 94 GLN CB C 94 29.236 29.766 -0.530 1
1 1042 . 15 1 1 A 94 94 GLN N N 94 123.165 116.265 6.900 1
1 1 . 16 1 1 A 2 2 GLN H H 2 7.809 8.040 -0.231 1
1 2 . 16 1 1 A 2 2 GLN HA H 2 4.394 4.813 -0.419 1
1 7 . 16 1 1 A 2 2 GLN CA C 2 55.124 54.447 0.677 1
1 8 . 16 1 1 A 2 2 GLN CB C 2 30.385 31.860 -1.475 1
1 10 . 16 1 1 A 2 2 GLN N N 2 126.586 122.155 4.431 1
1 11 . 16 1 1 A 3 3 LEU H H 3 8.598 8.505 0.093 1
1 12 . 16 1 1 A 3 3 LEU HA H 3 4.380 5.360 -0.980 1
1 22 . 16 1 1 A 3 3 LEU CA C 3 54.590 52.827 1.763 1
1 23 . 16 1 1 A 3 3 LEU CB C 3 43.701 43.858 -0.157 1
1 27 . 16 1 1 A 3 3 LEU N N 3 128.942 119.621 9.321 1
1 28 . 16 1 1 A 4 4 ASN H H 4 8.227 8.810 -0.583 1
1 29 . 16 1 1 A 4 4 ASN HA H 4 4.864 5.355 -0.491 1
1 32 . 16 1 1 A 4 4 ASN CA C 4 52.628 52.001 0.627 1
1 33 . 16 1 1 A 4 4 ASN CB C 4 41.258 42.821 -1.563 1
1 34 . 16 1 1 A 4 4 ASN N N 4 127.137 119.437 7.700 1
1 35 . 16 1 1 A 5 5 ILE H H 5 8.659 8.574 0.085 1
1 36 . 16 1 1 A 5 5 ILE HA H 5 4.901 5.299 -0.398 1
1 46 . 16 1 1 A 5 5 ILE CA C 5 60.288 59.081 1.207 1
1 47 . 16 1 1 A 5 5 ILE CB C 5 40.902 42.198 -1.296 1
1 51 . 16 1 1 A 5 5 ILE N N 5 126.355 118.058 8.297 1
1 52 . 16 1 1 A 6 6 THR H H 6 8.796 8.556 0.240 1
1 53 . 16 1 1 A 6 6 THR HA H 6 4.654 4.853 -0.199 1
1 58 . 16 1 1 A 6 6 THR CA C 6 60.751 60.901 -0.150 1
1 59 . 16 1 1 A 6 6 THR CB C 6 71.993 71.586 0.407 1
1 61 . 16 1 1 A 6 6 THR N N 6 123.546 117.633 5.913 1
1 62 . 16 1 1 A 7 7 GLY H H 7 8.833 9.185 -0.352 1
1 63 . 16 1 1 A 7 7 GLY HA2 H 7 3.764 4.217 -0.453 1
1 64 . 16 1 1 A 7 7 GLY HA3 H 7 5.071 4.224 0.847 1
1 65 . 16 1 1 A 7 7 GLY CA C 7 44.318 44.752 -0.434 1
1 66 . 16 1 1 A 7 7 GLY N N 7 112.240 115.209 -2.969 1
1 67 . 16 1 1 A 8 8 ASN H H 8 8.962 8.274 0.688 1
1 68 . 16 1 1 A 8 8 ASN HA H 8 4.828 5.453 -0.625 1
1 71 . 16 1 1 A 8 8 ASN CA C 8 52.799 52.128 0.671 1
1 72 . 16 1 1 A 8 8 ASN CB C 8 39.244 39.604 -0.360 1
1 73 . 16 1 1 A 8 8 ASN N N 8 124.384 119.470 4.914 1
1 74 . 16 1 1 A 9 9 ASN H H 9 8.756 9.080 -0.324 1
1 75 . 16 1 1 A 9 9 ASN HA H 9 4.248 4.278 -0.030 1
1 78 . 16 1 1 A 9 9 ASN CA C 9 53.998 54.308 -0.310 1
1 79 . 16 1 1 A 9 9 ASN CB C 9 37.231 37.658 -0.427 1
1 80 . 16 1 1 A 9 9 ASN N N 9 120.082 118.335 1.747 1
1 81 . 16 1 1 A 10 10 VAL H H 10 6.825 7.728 -0.903 1
1 82 . 16 1 1 A 10 10 VAL HA H 10 4.097 4.547 -0.450 1
1 90 . 16 1 1 A 10 10 VAL CA C 10 60.425 60.253 0.172 1
1 91 . 16 1 1 A 10 10 VAL CB C 10 34.765 35.366 -0.601 1
1 94 . 16 1 1 A 10 10 VAL N N 10 115.342 117.387 -2.045 1
1 95 . 16 1 1 A 11 11 GLU H H 11 8.347 8.425 -0.078 1
1 96 . 16 1 1 A 11 11 GLU HA H 11 4.174 4.415 -0.241 1
1 101 . 16 1 1 A 11 11 GLU CA C 11 55.442 56.478 -1.036 1
1 102 . 16 1 1 A 11 11 GLU CB C 11 30.114 29.611 0.503 1
1 104 . 16 1 1 A 11 11 GLU N N 11 129.115 125.362 3.753 1
1 105 . 16 1 1 A 12 12 ILE H H 12 8.942 8.897 0.045 1
1 106 . 16 1 1 A 12 12 ILE HA H 12 4.034 4.463 -0.429 1
1 116 . 16 1 1 A 12 12 ILE CA C 12 58.894 60.990 -2.096 1
1 117 . 16 1 1 A 12 12 ILE CB C 12 33.240 36.688 -3.448 1
1 121 . 16 1 1 A 12 12 ILE N N 12 128.622 126.500 2.122 1
1 122 . 16 1 1 A 13 13 THR H H 13 6.818 7.806 -0.988 1
1 123 . 16 1 1 A 13 13 THR HA H 13 4.429 4.919 -0.490 1
1 128 . 16 1 1 A 13 13 THR CA C 13 60.052 59.798 0.254 1
1 129 . 16 1 1 A 13 13 THR CB C 13 70.842 71.421 -0.579 1
1 131 . 16 1 1 A 13 13 THR N N 13 119.687 119.822 -0.135 1
1 132 . 16 1 1 A 14 14 GLU H H 14 8.969 8.964 0.005 1
1 133 . 16 1 1 A 14 14 GLU HA H 14 4.024 4.004 0.020 1
1 138 . 16 1 1 A 14 14 GLU CA C 14 59.794 59.828 -0.034 1
1 139 . 16 1 1 A 14 14 GLU CB C 14 28.845 29.389 -0.544 1
1 141 . 16 1 1 A 14 14 GLU N N 14 123.290 122.145 1.145 1
1 142 . 16 1 1 A 15 15 ALA H H 15 8.334 7.907 0.427 1
1 143 . 16 1 1 A 15 15 ALA HA H 15 4.151 4.140 0.011 1
1 147 . 16 1 1 A 15 15 ALA CA C 15 55.076 55.240 -0.164 1
1 148 . 16 1 1 A 15 15 ALA CB C 15 18.008 18.579 -0.571 1
1 149 . 16 1 1 A 15 15 ALA N N 15 121.958 122.595 -0.637 1
1 150 . 16 1 1 A 16 16 LEU H H 16 7.765 8.266 -0.501 1
1 151 . 16 1 1 A 16 16 LEU HA H 16 4.240 4.101 0.139 1
1 161 . 16 1 1 A 16 16 LEU CA C 16 57.674 58.582 -0.908 1
1 162 . 16 1 1 A 16 16 LEU CB C 16 42.122 41.924 0.198 1
1 166 . 16 1 1 A 16 16 LEU N N 16 123.064 120.269 2.795 1
1 167 . 16 1 1 A 17 17 ARG H H 17 8.627 7.916 0.711 1
1 168 . 16 1 1 A 17 17 ARG HA H 17 3.595 4.134 -0.539 1
1 175 . 16 1 1 A 17 17 ARG CA C 17 60.573 59.036 1.537 1
1 176 . 16 1 1 A 17 17 ARG CB C 17 29.679 30.060 -0.381 1
1 179 . 16 1 1 A 17 17 ARG N N 17 121.878 118.511 3.367 1
1 180 . 16 1 1 A 18 18 GLU H H 18 8.665 7.905 0.760 1
1 181 . 16 1 1 A 18 18 GLU HA H 18 3.952 4.091 -0.139 1
1 186 . 16 1 1 A 18 18 GLU CA C 18 59.654 59.280 0.374 1
1 187 . 16 1 1 A 18 18 GLU CB C 18 29.301 29.480 -0.179 1
1 189 . 16 1 1 A 18 18 GLU N N 18 123.257 119.643 3.614 1
1 190 . 16 1 1 A 19 19 PHE H H 19 8.026 8.542 -0.516 1
1 191 . 16 1 1 A 19 19 PHE HA H 19 4.258 4.215 0.043 1
1 195 . 16 1 1 A 19 19 PHE CA C 19 61.640 61.189 0.451 1
1 196 . 16 1 1 A 19 19 PHE CB C 19 39.547 39.338 0.209 1
1 198 . 16 1 1 A 19 19 PHE N N 19 123.888 121.497 2.391 1
1 199 . 16 1 1 A 20 20 VAL H H 20 8.734 8.283 0.451 1
1 200 . 16 1 1 A 20 20 VAL HA H 20 3.336 3.808 -0.472 1
1 208 . 16 1 1 A 20 20 VAL CA C 20 67.245 66.684 0.561 1
1 209 . 16 1 1 A 20 20 VAL CB C 20 31.965 31.924 0.041 1
1 212 . 16 1 1 A 20 20 VAL N N 20 119.762 118.757 1.005 1
1 213 . 16 1 1 A 21 21 THR H H 21 8.213 8.261 -0.048 1
1 214 . 16 1 1 A 21 21 THR HA H 21 3.615 4.108 -0.493 1
1 218 . 16 1 1 A 21 21 THR CA C 21 67.657 66.323 1.334 1
1 219 . 16 1 1 A 21 21 THR CB C 21 68.697 68.320 0.377 1
1 221 . 16 1 1 A 21 21 THR N N 21 117.446 115.308 2.138 1
1 222 . 16 1 1 A 22 22 ALA H H 22 8.050 8.483 -0.433 1
1 223 . 16 1 1 A 22 22 ALA HA H 22 4.084 3.895 0.189 1
1 227 . 16 1 1 A 22 22 ALA CA C 22 54.998 55.589 -0.591 1
1 228 . 16 1 1 A 22 22 ALA CB C 22 17.880 18.155 -0.275 1
1 229 . 16 1 1 A 22 22 ALA N N 22 125.291 122.999 2.292 1
1 230 . 16 1 1 A 23 23 LYS H H 23 7.868 7.511 0.357 1
1 231 . 16 1 1 A 23 23 LYS HA H 23 3.886 3.980 -0.094 1
1 240 . 16 1 1 A 23 23 LYS CA C 23 57.286 58.675 -1.389 1
1 241 . 16 1 1 A 23 23 LYS CB C 23 30.651 32.456 -1.805 1
1 245 . 16 1 1 A 23 23 LYS N N 23 119.332 117.702 1.630 1
1 246 . 16 1 1 A 24 24 PHE H H 24 8.369 8.090 0.279 1
1 247 . 16 1 1 A 24 24 PHE HA H 24 3.805 4.363 -0.558 1
1 252 . 16 1 1 A 24 24 PHE CA C 24 62.055 61.445 0.610 1
1 253 . 16 1 1 A 24 24 PHE CB C 24 38.744 38.086 0.658 1
1 256 . 16 1 1 A 24 24 PHE N N 24 119.142 118.097 1.045 1
1 257 . 16 1 1 A 25 25 ALA H H 25 7.879 7.817 0.062 1
1 258 . 16 1 1 A 25 25 ALA HA H 25 4.140 4.164 -0.024 1
1 262 . 16 1 1 A 25 25 ALA CA C 25 55.014 54.824 0.190 1
1 263 . 16 1 1 A 25 25 ALA CB C 25 17.773 18.641 -0.868 1
1 264 . 16 1 1 A 25 25 ALA N N 25 123.500 122.272 1.228 1
1 265 . 16 1 1 A 26 26 LYS H H 26 7.217 7.480 -0.263 1
1 266 . 16 1 1 A 26 26 LYS HA H 26 4.024 3.931 0.093 1
1 275 . 16 1 1 A 26 26 LYS CA C 26 58.189 58.028 0.161 1
1 276 . 16 1 1 A 26 26 LYS CB C 26 32.033 32.354 -0.321 1
1 280 . 16 1 1 A 26 26 LYS N N 26 118.541 117.435 1.106 1
1 281 . 16 1 1 A 27 27 LEU H H 27 7.773 7.404 0.369 1
1 282 . 16 1 1 A 27 27 LEU HA H 27 4.257 3.053 1.204 1
1 292 . 16 1 1 A 27 27 LEU CA C 27 55.889 56.301 -0.412 1
1 293 . 16 1 1 A 27 27 LEU CB C 27 41.083 41.862 -0.779 1
1 297 . 16 1 1 A 27 27 LEU N N 27 118.340 117.392 0.948 1
1 298 . 16 1 1 A 28 28 GLU H H 28 7.296 8.160 -0.864 1
1 299 . 16 1 1 A 28 28 GLU HA H 28 3.489 4.104 -0.615 1
1 304 . 16 1 1 A 28 28 GLU CA C 28 58.336 58.383 -0.047 1
1 305 . 16 1 1 A 28 28 GLU CB C 28 29.265 28.181 1.084 1
1 307 . 16 1 1 A 28 28 GLU N N 28 119.557 117.793 1.764 1
1 308 . 16 1 1 A 29 29 GLN H H 29 7.783 7.615 0.168 1
1 309 . 16 1 1 A 29 29 GLN HA H 29 3.923 3.987 -0.064 1
1 314 . 16 1 1 A 29 29 GLN CA C 29 57.387 58.365 -0.978 1
1 315 . 16 1 1 A 29 29 GLN CB C 29 28.082 28.680 -0.598 1
1 317 . 16 1 1 A 29 29 GLN N N 29 117.927 120.855 -2.928 1
1 318 . 16 1 1 A 30 30 TYR H H 30 7.731 6.905 0.826 1
1 319 . 16 1 1 A 30 30 TYR HA H 30 4.433 4.498 -0.065 1
1 324 . 16 1 1 A 30 30 TYR CA C 30 58.371 57.660 0.711 1
1 325 . 16 1 1 A 30 30 TYR CB C 30 39.297 38.933 0.364 1
1 328 . 16 1 1 A 30 30 TYR N N 30 118.639 116.460 2.179 1
1 329 . 16 1 1 A 31 31 PHE H H 31 7.652 7.485 0.167 1
1 330 . 16 1 1 A 31 31 PHE HA H 31 4.605 5.072 -0.467 1
1 334 . 16 1 1 A 31 31 PHE CA C 31 58.507 56.400 2.107 1
1 335 . 16 1 1 A 31 31 PHE CB C 31 40.438 41.008 -0.570 1
1 337 . 16 1 1 A 31 31 PHE N N 31 119.753 119.637 0.116 1
1 338 . 16 1 1 A 32 32 ASP H H 32 8.087 8.739 -0.652 1
1 339 . 16 1 1 A 32 32 ASP HA H 32 4.465 4.924 -0.459 1
1 342 . 16 1 1 A 32 32 ASP CA C 32 55.094 55.180 -0.086 1
1 343 . 16 1 1 A 32 32 ASP CB C 32 40.511 42.436 -1.925 1
1 344 . 16 1 1 A 32 32 ASP N N 32 121.865 123.914 -2.049 1
1 345 . 16 1 1 A 33 33 ARG H H 33 7.083 7.904 -0.821 1
1 346 . 16 1 1 A 33 33 ARG HA H 33 4.412 4.510 -0.098 1
1 353 . 16 1 1 A 33 33 ARG CA C 33 55.082 55.693 -0.611 1
1 354 . 16 1 1 A 33 33 ARG CB C 33 30.409 28.593 1.816 1
1 357 . 16 1 1 A 33 33 ARG N N 33 119.603 116.412 3.191 1
1 358 . 16 1 1 A 34 34 ILE H H 34 8.139 8.023 0.116 1
1 359 . 16 1 1 A 34 34 ILE HA H 34 4.051 4.877 -0.826 1
1 369 . 16 1 1 A 34 34 ILE CA C 34 61.543 60.481 1.062 1
1 370 . 16 1 1 A 34 34 ILE CB C 34 39.510 41.392 -1.882 1
1 374 . 16 1 1 A 34 34 ILE N N 34 123.576 123.950 -0.374 1
1 375 . 16 1 1 A 35 35 ASN H H 35 8.560 8.763 -0.203 1
1 376 . 16 1 1 A 35 35 ASN HA H 35 4.870 4.937 -0.067 1
1 379 . 16 1 1 A 35 35 ASN CA C 35 53.877 53.990 -0.113 1
1 380 . 16 1 1 A 35 35 ASN CB C 35 38.806 39.675 -0.869 1
1 381 . 16 1 1 A 35 35 ASN N N 35 126.934 120.886 6.048 1
1 382 . 16 1 1 A 36 36 GLN H H 36 7.843 7.889 -0.046 1
1 383 . 16 1 1 A 36 36 GLN HA H 36 4.519 5.135 -0.616 1
1 388 . 16 1 1 A 36 36 GLN CA C 36 56.345 54.348 1.997 1
1 389 . 16 1 1 A 36 36 GLN CB C 36 31.240 31.339 -0.099 1
1 391 . 16 1 1 A 36 36 GLN N N 36 120.673 118.084 2.589 1
1 392 . 16 1 1 A 37 37 VAL H H 37 8.330 9.048 -0.718 1
1 393 . 16 1 1 A 37 37 VAL HA H 37 4.693 4.868 -0.175 1
1 401 . 16 1 1 A 37 37 VAL CA C 37 60.789 61.293 -0.504 1
1 402 . 16 1 1 A 37 37 VAL CB C 37 34.740 34.973 -0.233 1
1 405 . 16 1 1 A 37 37 VAL N N 37 123.403 126.917 -3.514 1
1 406 . 16 1 1 A 38 38 TYR H H 38 8.943 8.099 0.844 1
1 407 . 16 1 1 A 38 38 TYR HA H 38 5.039 6.120 -1.081 1
1 412 . 16 1 1 A 38 38 TYR CA C 38 57.028 55.330 1.698 1
1 413 . 16 1 1 A 38 38 TYR CB C 38 39.705 41.855 -2.150 1
1 416 . 16 1 1 A 38 38 TYR N N 38 129.202 123.448 5.754 1
1 417 . 16 1 1 A 39 39 VAL H H 39 9.053 8.685 0.368 1
1 418 . 16 1 1 A 39 39 VAL HA H 39 5.048 5.152 -0.104 1
1 426 . 16 1 1 A 39 39 VAL CA C 39 60.685 60.643 0.042 1
1 427 . 16 1 1 A 39 39 VAL CB C 39 34.107 35.162 -1.055 1
1 430 . 16 1 1 A 39 39 VAL N N 39 127.771 124.035 3.736 1
1 431 . 16 1 1 A 40 40 VAL H H 40 9.276 8.894 0.382 1
1 432 . 16 1 1 A 40 40 VAL HA H 40 4.862 4.864 -0.002 1
1 440 . 16 1 1 A 40 40 VAL CA C 40 60.896 60.865 0.031 1
1 441 . 16 1 1 A 40 40 VAL CB C 40 34.411 35.913 -1.502 1
1 444 . 16 1 1 A 40 40 VAL N N 40 130.939 126.303 4.636 1
1 445 . 16 1 1 A 41 41 LEU H H 41 8.714 8.803 -0.089 1
1 446 . 16 1 1 A 41 41 LEU HA H 41 5.111 5.512 -0.401 1
1 456 . 16 1 1 A 41 41 LEU CA C 41 53.150 52.852 0.298 1
1 457 . 16 1 1 A 41 41 LEU CB C 41 42.538 45.296 -2.758 1
1 461 . 16 1 1 A 41 41 LEU N N 41 130.200 125.223 4.977 1
1 462 . 16 1 1 A 42 42 LYS H H 42 8.955 9.690 -0.735 1
1 463 . 16 1 1 A 42 42 LYS HA H 42 5.180 5.543 -0.363 1
1 472 . 16 1 1 A 42 42 LYS CA C 42 55.017 54.721 0.296 1
1 473 . 16 1 1 A 42 42 LYS CB C 42 36.649 34.694 1.955 1
1 477 . 16 1 1 A 42 42 LYS N N 42 124.155 122.962 1.193 1
1 478 . 16 1 1 A 43 43 VAL H H 43 7.515 8.119 -0.604 1
1 479 . 16 1 1 A 43 43 VAL HA H 43 4.360 4.442 -0.082 1
1 487 . 16 1 1 A 43 43 VAL CA C 43 61.230 61.031 0.199 1
1 488 . 16 1 1 A 43 43 VAL CB C 43 33.656 33.310 0.346 1
1 491 . 16 1 1 A 43 43 VAL N N 43 124.332 125.377 -1.045 1
1 492 . 16 1 1 A 44 44 GLU H H 44 8.092 8.285 -0.193 1
1 493 . 16 1 1 A 44 44 GLU HA H 44 4.368 4.767 -0.399 1
1 498 . 16 1 1 A 44 44 GLU CA C 44 55.445 54.346 1.099 1
1 499 . 16 1 1 A 44 44 GLU CB C 44 31.404 33.288 -1.884 1
1 501 . 16 1 1 A 44 44 GLU N N 44 130.594 125.186 5.408 1
1 502 . 16 1 1 A 45 45 LYS H H 45 8.982 8.690 0.292 1
1 503 . 16 1 1 A 45 45 LYS HA H 45 3.695 3.935 -0.240 1
1 512 . 16 1 1 A 45 45 LYS CA C 45 59.588 58.889 0.699 1
1 513 . 16 1 1 A 45 45 LYS CB C 45 30.077 32.059 -1.982 1
1 517 . 16 1 1 A 45 45 LYS N N 45 125.587 121.084 4.503 1
1 518 . 16 1 1 A 46 46 VAL H H 46 7.710 7.431 0.279 1
1 519 . 16 1 1 A 46 46 VAL HA H 46 4.346 4.000 0.346 1
1 527 . 16 1 1 A 46 46 VAL CA C 46 61.342 64.564 -3.222 1
1 528 . 16 1 1 A 46 46 VAL CB C 46 31.917 31.914 0.003 1
1 531 . 16 1 1 A 46 46 VAL N N 46 115.763 118.237 -2.474 1
1 532 . 16 1 1 A 47 47 THR H H 47 8.151 7.783 0.368 1
1 533 . 16 1 1 A 47 47 THR HA H 47 4.397 5.278 -0.881 1
1 538 . 16 1 1 A 47 47 THR CA C 47 63.072 61.078 1.994 1
1 539 . 16 1 1 A 47 47 THR CB C 47 69.615 72.083 -2.468 1
1 541 . 16 1 1 A 47 47 THR N N 47 120.888 111.942 8.946 1
1 542 . 16 1 1 A 48 48 HIS H H 48 8.753 9.099 -0.346 1
1 543 . 16 1 1 A 48 48 HIS HA H 48 4.826 5.289 -0.463 1
1 547 . 16 1 1 A 48 48 HIS CA C 48 55.978 55.225 0.753 1
1 548 . 16 1 1 A 48 48 HIS CB C 48 30.476 31.224 -0.748 1
1 550 . 16 1 1 A 48 48 HIS N N 48 130.755 123.143 7.612 1
1 551 . 16 1 1 A 49 49 THR H H 49 9.136 8.498 0.638 1
1 552 . 16 1 1 A 49 49 THR HA H 49 5.245 5.149 0.096 1
1 557 . 16 1 1 A 49 49 THR CA C 49 60.941 61.232 -0.291 1
1 558 . 16 1 1 A 49 49 THR CB C 49 71.411 72.048 -0.637 1
1 560 . 16 1 1 A 49 49 THR N N 49 118.522 117.070 1.452 1
1 561 . 16 1 1 A 50 50 SER H H 50 9.050 8.952 0.098 1
1 562 . 16 1 1 A 50 50 SER HA H 50 5.348 5.462 -0.114 1
1 565 . 16 1 1 A 50 50 SER CA C 50 55.645 56.632 -0.987 1
1 566 . 16 1 1 A 50 50 SER CB C 50 66.579 66.478 0.101 1
1 567 . 16 1 1 A 50 50 SER N N 50 119.749 119.651 0.098 1
1 568 . 16 1 1 A 51 51 ASP H H 51 8.843 9.489 -0.646 1
1 569 . 16 1 1 A 51 51 ASP HA H 51 5.363 5.892 -0.529 1
1 572 . 16 1 1 A 51 51 ASP CA C 51 52.879 52.303 0.576 1
1 573 . 16 1 1 A 51 51 ASP CB C 51 45.173 44.840 0.333 1
1 574 . 16 1 1 A 51 51 ASP N N 51 126.330 121.430 4.900 1
1 575 . 16 1 1 A 52 52 ALA H H 52 8.938 9.415 -0.477 1
1 576 . 16 1 1 A 52 52 ALA HA H 52 5.777 5.210 0.567 1
1 580 . 16 1 1 A 52 52 ALA CA C 52 50.806 51.513 -0.707 1
1 581 . 16 1 1 A 52 52 ALA CB C 52 24.676 21.398 3.278 1
1 582 . 16 1 1 A 52 52 ALA N N 52 122.789 122.139 0.650 1
1 583 . 16 1 1 A 53 53 THR H H 53 8.666 8.737 -0.071 1
1 584 . 16 1 1 A 53 53 THR HA H 53 4.979 5.013 -0.034 1
1 589 . 16 1 1 A 53 53 THR CA C 53 62.026 61.388 0.638 1
1 590 . 16 1 1 A 53 53 THR CB C 53 70.850 68.457 2.393 1
1 592 . 16 1 1 A 53 53 THR N N 53 118.344 118.430 -0.086 1
1 593 . 16 1 1 A 54 54 LEU H H 54 9.662 8.787 0.875 1
1 594 . 16 1 1 A 54 54 LEU HA H 54 4.921 5.074 -0.153 1
1 604 . 16 1 1 A 54 54 LEU CA C 54 53.923 53.880 0.043 1
1 605 . 16 1 1 A 54 54 LEU CB C 54 43.782 44.337 -0.555 1
1 609 . 16 1 1 A 54 54 LEU N N 54 129.166 127.429 1.737 1
1 610 . 16 1 1 A 55 55 HIS H H 55 8.956 9.118 -0.162 1
1 611 . 16 1 1 A 55 55 HIS HA H 55 4.882 5.159 -0.277 1
1 615 . 16 1 1 A 55 55 HIS CA C 55 56.326 54.714 1.612 1
1 616 . 16 1 1 A 55 55 HIS CB C 55 30.431 31.935 -1.504 1
1 618 . 16 1 1 A 55 55 HIS N N 55 126.094 121.590 4.504 1
1 619 . 16 1 1 A 56 56 VAL H H 56 8.151 8.333 -0.182 1
1 620 . 16 1 1 A 56 56 VAL HA H 56 4.856 4.553 0.303 1
1 628 . 16 1 1 A 56 56 VAL CA C 56 58.734 59.926 -1.192 1
1 629 . 16 1 1 A 56 56 VAL CB C 56 34.523 34.520 0.003 1
1 632 . 16 1 1 A 56 56 VAL N N 56 120.242 116.937 3.305 1
1 633 . 16 1 1 A 57 57 ASN H H 57 8.970 9.006 -0.036 1
1 634 . 16 1 1 A 57 57 ASN HA H 57 4.463 4.387 0.076 1
1 637 . 16 1 1 A 57 57 ASN CA C 57 54.963 55.362 -0.399 1
1 638 . 16 1 1 A 57 57 ASN CB C 57 37.481 37.238 0.243 1
1 639 . 16 1 1 A 57 57 ASN N N 57 124.652 120.737 3.915 1
1 640 . 16 1 1 A 58 58 GLY H H 58 8.868 8.534 0.334 1
1 641 . 16 1 1 A 58 58 GLY HA2 H 58 3.814 3.967 -0.153 1
1 642 . 16 1 1 A 58 58 GLY HA3 H 58 4.152 3.977 0.175 1
1 643 . 16 1 1 A 58 58 GLY CA C 58 45.606 45.527 0.079 1
1 644 . 16 1 1 A 58 58 GLY N N 58 112.816 109.462 3.354 1
1 645 . 16 1 1 A 59 59 GLY H H 59 7.848 8.600 -0.752 1
1 646 . 16 1 1 A 59 59 GLY HA2 H 59 3.978 4.247 -0.269 1
1 647 . 16 1 1 A 59 59 GLY HA3 H 59 4.153 4.273 -0.120 1
1 648 . 16 1 1 A 59 59 GLY CA C 59 45.321 44.539 0.782 1
1 649 . 16 1 1 A 59 59 GLY N N 59 109.857 108.203 1.654 1
1 650 . 16 1 1 A 60 60 GLU H H 60 8.262 8.549 -0.287 1
1 651 . 16 1 1 A 60 60 GLU HA H 60 5.110 4.785 0.325 1
1 656 . 16 1 1 A 60 60 GLU CA C 60 54.756 54.856 -0.100 1
1 657 . 16 1 1 A 60 60 GLU CB C 60 32.933 32.238 0.695 1
1 659 . 16 1 1 A 60 60 GLU N N 60 121.732 120.930 0.802 1
1 660 . 16 1 1 A 61 61 ILE H H 61 8.764 8.672 0.092 1
1 661 . 16 1 1 A 61 61 ILE HA H 61 4.286 4.836 -0.550 1
1 671 . 16 1 1 A 61 61 ILE CA C 61 59.713 60.270 -0.557 1
1 672 . 16 1 1 A 61 61 ILE CB C 61 41.194 39.632 1.562 1
1 676 . 16 1 1 A 61 61 ILE N N 61 124.817 125.184 -0.367 1
1 677 . 16 1 1 A 62 62 HIS H H 62 8.907 8.894 0.013 1
1 678 . 16 1 1 A 62 62 HIS HA H 62 5.743 5.264 0.479 1
1 682 . 16 1 1 A 62 62 HIS CA C 62 54.009 53.591 0.418 1
1 683 . 16 1 1 A 62 62 HIS CB C 62 32.365 33.132 -0.767 1
1 685 . 16 1 1 A 62 62 HIS N N 62 127.338 126.982 0.356 1
1 686 . 16 1 1 A 63 63 ALA H H 63 8.298 9.190 -0.892 1
1 687 . 16 1 1 A 63 63 ALA HA H 63 4.480 5.344 -0.864 1
1 691 . 16 1 1 A 63 63 ALA CA C 63 51.764 50.231 1.533 1
1 692 . 16 1 1 A 63 63 ALA CB C 63 23.678 23.238 0.440 1
1 693 . 16 1 1 A 63 63 ALA N N 63 125.511 130.570 -5.059 1
1 694 . 16 1 1 A 64 64 SER H H 64 8.070 8.873 -0.803 1
1 695 . 16 1 1 A 64 64 SER HA H 64 5.286 5.779 -0.493 1
1 698 . 16 1 1 A 64 64 SER CA C 64 56.782 57.024 -0.242 1
1 699 . 16 1 1 A 64 64 SER CB C 64 65.895 66.030 -0.135 1
1 700 . 16 1 1 A 64 64 SER N N 64 114.469 113.488 0.981 1
1 701 . 16 1 1 A 65 65 ALA H H 65 8.904 8.990 -0.086 1
1 702 . 16 1 1 A 65 65 ALA HA H 65 4.669 5.449 -0.780 1
1 706 . 16 1 1 A 65 65 ALA CA C 65 51.753 50.128 1.625 1
1 707 . 16 1 1 A 65 65 ALA CB C 65 22.599 23.067 -0.468 1
1 708 . 16 1 1 A 65 65 ALA N N 65 126.977 125.058 1.919 1
1 709 . 16 1 1 A 66 66 GLU H H 66 8.200 9.031 -0.831 1
1 710 . 16 1 1 A 66 66 GLU HA H 66 5.680 5.175 0.505 1
1 715 . 16 1 1 A 66 66 GLU CA C 66 53.650 54.595 -0.945 1
1 716 . 16 1 1 A 66 66 GLU CB C 66 33.741 33.858 -0.117 1
1 718 . 16 1 1 A 66 66 GLU N N 66 119.267 118.710 0.557 1
1 719 . 16 1 1 A 67 67 GLY H H 67 8.836 8.501 0.335 1
1 720 . 16 1 1 A 67 67 GLY HA2 H 67 4.490 4.144 0.346 1
1 721 . 16 1 1 A 67 67 GLY HA3 H 67 3.728 4.147 -0.419 1
1 722 . 16 1 1 A 67 67 GLY CA C 67 45.157 46.010 -0.853 1
1 723 . 16 1 1 A 67 67 GLY N N 67 108.048 108.644 -0.596 1
1 724 . 16 1 1 A 68 68 GLN H H 68 8.997 7.889 1.108 1
1 725 . 16 1 1 A 68 68 GLN HA H 68 4.440 4.526 -0.086 1
1 730 . 16 1 1 A 68 68 GLN CA C 68 56.996 56.624 0.372 1
1 731 . 16 1 1 A 68 68 GLN CB C 68 28.694 31.962 -3.268 1
1 733 . 16 1 1 A 68 68 GLN N N 68 119.961 117.061 2.900 1
1 734 . 16 1 1 A 69 69 ASP H H 69 7.542 7.560 -0.018 1
1 735 . 16 1 1 A 69 69 ASP HA H 69 3.242 3.572 -0.330 1
1 738 . 16 1 1 A 69 69 ASP CA C 69 51.838 52.219 -0.381 1
1 739 . 16 1 1 A 69 69 ASP CB C 69 42.829 42.480 0.349 1
1 740 . 16 1 1 A 69 69 ASP N N 69 115.279 115.531 -0.252 1
1 741 . 16 1 1 A 70 70 MET H H 70 8.409 8.612 -0.203 1
1 742 . 16 1 1 A 70 70 MET HA H 70 4.200 4.101 0.099 1
1 747 . 16 1 1 A 70 70 MET CA C 70 56.505 58.932 -2.427 1
1 748 . 16 1 1 A 70 70 MET CB C 70 31.533 31.957 -0.424 1
1 750 . 16 1 1 A 70 70 MET N N 70 120.495 118.307 2.188 1
1 751 . 16 1 1 A 71 71 TYR H H 71 7.304 7.344 -0.040 1
1 752 . 16 1 1 A 71 71 TYR HA H 71 3.832 3.938 -0.106 1
1 757 . 16 1 1 A 71 71 TYR CA C 71 60.141 61.025 -0.884 1
1 758 . 16 1 1 A 71 71 TYR CB C 71 35.788 36.822 -1.034 1
1 761 . 16 1 1 A 71 71 TYR N N 71 120.024 117.986 2.038 1
1 762 . 16 1 1 A 72 72 ALA H H 72 8.474 8.443 0.031 1
1 763 . 16 1 1 A 72 72 ALA HA H 72 4.213 4.034 0.179 1
1 767 . 16 1 1 A 72 72 ALA CA C 72 54.526 55.184 -0.658 1
1 768 . 16 1 1 A 72 72 ALA CB C 72 18.884 18.264 0.620 1
1 769 . 16 1 1 A 72 72 ALA N N 72 123.384 122.539 0.845 1
1 770 . 16 1 1 A 73 73 ALA H H 73 7.595 8.342 -0.747 1
1 771 . 16 1 1 A 73 73 ALA HA H 73 3.731 4.162 -0.431 1
1 775 . 16 1 1 A 73 73 ALA CA C 73 55.647 54.772 0.875 1
1 776 . 16 1 1 A 73 73 ALA CB C 73 17.460 18.497 -1.037 1
1 777 . 16 1 1 A 73 73 ALA N N 73 123.415 120.104 3.311 1
1 778 . 16 1 1 A 74 74 ILE H H 74 7.958 7.683 0.275 1
1 779 . 16 1 1 A 74 74 ILE HA H 74 3.692 3.912 -0.220 1
1 789 . 16 1 1 A 74 74 ILE CA C 74 63.902 64.570 -0.668 1
1 790 . 16 1 1 A 74 74 ILE CB C 74 37.010 37.478 -0.468 1
1 794 . 16 1 1 A 74 74 ILE N N 74 119.834 119.154 0.680 1
1 795 . 16 1 1 A 75 75 ASP H H 75 8.468 8.140 0.328 1
1 796 . 16 1 1 A 75 75 ASP HA H 75 4.282 4.406 -0.124 1
1 799 . 16 1 1 A 75 75 ASP CA C 75 58.107 57.539 0.568 1
1 800 . 16 1 1 A 75 75 ASP CB C 75 40.628 40.443 0.185 1
1 801 . 16 1 1 A 75 75 ASP N N 75 122.091 122.458 -0.367 1
1 802 . 16 1 1 A 76 76 GLY H H 76 8.041 8.231 -0.190 1
1 803 . 16 1 1 A 76 76 GLY HA2 H 76 3.845 3.740 0.105 1
1 804 . 16 1 1 A 76 76 GLY HA3 H 76 3.863 3.742 0.121 1
1 805 . 16 1 1 A 76 76 GLY CA C 76 46.668 47.362 -0.694 1
1 806 . 16 1 1 A 76 76 GLY N N 76 108.081 108.610 -0.529 1
1 807 . 16 1 1 A 77 77 LEU H H 77 8.088 7.970 0.118 1
1 808 . 16 1 1 A 77 77 LEU HA H 77 3.709 4.203 -0.494 1
1 818 . 16 1 1 A 77 77 LEU CA C 77 57.865 57.316 0.549 1
1 819 . 16 1 1 A 77 77 LEU CB C 77 41.828 41.679 0.149 1
1 823 . 16 1 1 A 77 77 LEU N N 77 126.711 122.642 4.069 1
1 824 . 16 1 1 A 78 78 ILE H H 78 8.155 8.032 0.123 1
1 825 . 16 1 1 A 78 78 ILE HA H 78 3.316 3.886 -0.570 1
1 835 . 16 1 1 A 78 78 ILE CA C 78 62.813 62.871 -0.058 1
1 836 . 16 1 1 A 78 78 ILE CB C 78 34.810 37.627 -2.817 1
1 840 . 16 1 1 A 78 78 ILE N N 78 120.409 119.361 1.048 1
1 841 . 16 1 1 A 79 79 ASP H H 79 7.408 7.870 -0.462 1
1 842 . 16 1 1 A 79 79 ASP HA H 79 4.274 4.443 -0.169 1
1 845 . 16 1 1 A 79 79 ASP CA C 79 57.605 56.421 1.184 1
1 846 . 16 1 1 A 79 79 ASP CB C 79 41.017 41.086 -0.069 1
1 847 . 16 1 1 A 79 79 ASP N N 79 120.497 122.672 -2.175 1
1 848 . 16 1 1 A 80 80 LYS H H 80 7.536 7.943 -0.407 1
1 849 . 16 1 1 A 80 80 LYS HA H 80 3.931 4.104 -0.173 1
1 858 . 16 1 1 A 80 80 LYS CA C 80 59.952 59.061 0.891 1
1 859 . 16 1 1 A 80 80 LYS CB C 80 33.221 31.802 1.419 1
1 863 . 16 1 1 A 80 80 LYS N N 80 119.684 118.456 1.228 1
1 864 . 16 1 1 A 81 81 LEU H H 81 8.473 7.719 0.754 1
1 865 . 16 1 1 A 81 81 LEU HA H 81 3.765 4.023 -0.258 1
1 875 . 16 1 1 A 81 81 LEU CA C 81 57.564 57.780 -0.216 1
1 876 . 16 1 1 A 81 81 LEU CB C 81 42.473 42.007 0.466 1
1 880 . 16 1 1 A 81 81 LEU N N 81 121.519 121.311 0.208 1
1 881 . 16 1 1 A 82 82 ALA H H 82 8.682 8.260 0.422 1
1 882 . 16 1 1 A 82 82 ALA HA H 82 3.479 4.292 -0.813 1
1 886 . 16 1 1 A 82 82 ALA CA C 82 55.731 55.859 -0.128 1
1 887 . 16 1 1 A 82 82 ALA CB C 82 17.388 18.396 -1.008 1
1 888 . 16 1 1 A 82 82 ALA N N 82 123.814 121.189 2.625 1
1 889 . 16 1 1 A 83 83 ARG H H 83 7.329 7.850 -0.521 1
1 890 . 16 1 1 A 83 83 ARG HA H 83 3.981 4.139 -0.158 1
1 897 . 16 1 1 A 83 83 ARG CA C 83 59.137 59.756 -0.619 1
1 898 . 16 1 1 A 83 83 ARG CB C 83 29.971 30.118 -0.147 1
1 901 . 16 1 1 A 83 83 ARG N N 83 118.219 117.705 0.514 1
1 902 . 16 1 1 A 84 84 GLN H H 84 7.750 7.575 0.175 1
1 903 . 16 1 1 A 84 84 GLN HA H 84 4.047 4.153 -0.106 1
1 906 . 16 1 1 A 84 84 GLN CA C 84 58.685 58.407 0.278 1
1 907 . 16 1 1 A 84 84 GLN CB C 84 29.903 28.701 1.202 1
1 909 . 16 1 1 A 84 84 GLN N N 84 119.887 119.305 0.582 1
1 910 . 16 1 1 A 85 85 LEU H H 85 8.610 8.509 0.101 1
1 911 . 16 1 1 A 85 85 LEU HA H 85 3.788 3.919 -0.131 1
1 920 . 16 1 1 A 85 85 LEU CA C 85 57.600 57.718 -0.118 1
1 921 . 16 1 1 A 85 85 LEU CB C 85 41.178 41.241 -0.063 1
1 925 . 16 1 1 A 85 85 LEU N N 85 122.951 120.185 2.766 1
1 926 . 16 1 1 A 86 86 THR H H 86 7.709 8.336 -0.627 1
1 927 . 16 1 1 A 86 86 THR HA H 86 4.056 4.039 0.017 1
1 932 . 16 1 1 A 86 86 THR CA C 86 65.924 66.060 -0.136 1
1 933 . 16 1 1 A 86 86 THR CB C 86 68.870 68.327 0.543 1
1 935 . 16 1 1 A 86 86 THR N N 86 116.282 110.549 5.733 1
1 936 . 16 1 1 A 87 87 LYS H H 87 7.457 7.704 -0.247 1
1 937 . 16 1 1 A 87 87 LYS HA H 87 4.102 3.937 0.165 1
1 946 . 16 1 1 A 87 87 LYS CA C 87 58.289 59.493 -1.204 1
1 947 . 16 1 1 A 87 87 LYS CB C 87 32.293 32.291 0.002 1
1 951 . 16 1 1 A 87 87 LYS N N 87 122.670 123.213 -0.543 1
1 952 . 16 1 1 A 88 88 HIS H H 88 7.928 7.950 -0.022 1
1 953 . 16 1 1 A 88 88 HIS HA H 88 4.301 4.301 0.000 1
1 957 . 16 1 1 A 88 88 HIS CA C 88 58.361 58.891 -0.530 1
1 958 . 16 1 1 A 88 88 HIS CB C 88 30.766 28.592 2.174 1
1 960 . 16 1 1 A 88 88 HIS N N 88 121.382 116.811 4.571 1
1 961 . 16 1 1 A 89 89 LYS H H 89 7.928 7.517 0.411 1
1 962 . 16 1 1 A 89 89 LYS HA H 89 3.934 4.208 -0.274 1
1 971 . 16 1 1 A 89 89 LYS CA C 89 58.568 58.668 -0.100 1
1 972 . 16 1 1 A 89 89 LYS CB C 89 32.489 32.262 0.227 1
1 976 . 16 1 1 A 89 89 LYS N N 89 121.821 122.265 -0.444 1
1 977 . 16 1 1 A 90 90 ASP H H 90 8.143 8.027 0.116 1
1 978 . 16 1 1 A 90 90 ASP HA H 90 4.445 4.416 0.029 1
1 981 . 16 1 1 A 90 90 ASP CA C 90 55.869 56.666 -0.797 1
1 982 . 16 1 1 A 90 90 ASP CB C 90 40.715 40.395 0.320 1
1 983 . 16 1 1 A 90 90 ASP N N 90 121.199 118.732 2.467 1
1 984 . 16 1 1 A 91 91 LYS H H 91 7.867 8.129 -0.262 1
1 985 . 16 1 1 A 91 91 LYS HA H 91 4.130 4.155 -0.025 1
1 994 . 16 1 1 A 91 91 LYS CA C 91 57.421 59.542 -2.121 1
1 995 . 16 1 1 A 91 91 LYS CB C 91 32.365 32.267 0.098 1
1 999 . 16 1 1 A 91 91 LYS N N 91 121.976 120.514 1.462 1
1 1000 . 16 1 1 A 92 92 LEU H H 92 7.709 7.414 0.295 1
1 1001 . 16 1 1 A 92 92 LEU HA H 92 4.171 4.479 -0.308 1
1 1011 . 16 1 1 A 92 92 LEU CA C 92 55.449 54.490 0.959 1
1 1012 . 16 1 1 A 92 92 LEU CB C 92 41.871 39.473 2.398 1
1 1016 . 16 1 1 A 92 92 LEU N N 92 121.802 119.584 2.218 1
1 1017 . 16 1 1 A 93 93 LYS H H 93 7.751 7.916 -0.165 1
1 1018 . 16 1 1 A 93 93 LYS HA H 93 4.197 4.864 -0.667 1
1 1027 . 16 1 1 A 93 93 LYS CA C 93 56.420 54.377 2.043 1
1 1028 . 16 1 1 A 93 93 LYS CB C 93 32.792 35.284 -2.492 1
1 1032 . 16 1 1 A 93 93 LYS N N 93 121.954 120.946 1.008 1
1 1033 . 16 1 1 A 94 94 GLN H H 94 8.129 8.581 -0.452 1
1 1034 . 16 1 1 A 94 94 GLN HA H 94 4.208 4.330 -0.122 1
1 1039 . 16 1 1 A 94 94 GLN CA C 94 55.891 55.980 -0.089 1
1 1040 . 16 1 1 A 94 94 GLN CB C 94 29.236 28.585 0.651 1
1 1042 . 16 1 1 A 94 94 GLN N N 94 123.165 122.395 0.770 1
1 1 . 17 1 1 A 2 2 GLN H H 2 7.809 8.672 -0.863 1
1 2 . 17 1 1 A 2 2 GLN HA H 2 4.394 4.259 0.135 1
1 7 . 17 1 1 A 2 2 GLN CA C 2 55.124 58.212 -3.088 1
1 8 . 17 1 1 A 2 2 GLN CB C 2 30.385 27.826 2.559 1
1 10 . 17 1 1 A 2 2 GLN N N 2 126.586 118.701 7.885 1
1 11 . 17 1 1 A 3 3 LEU H H 3 8.598 8.465 0.133 1
1 12 . 17 1 1 A 3 3 LEU HA H 3 4.380 5.083 -0.703 1
1 22 . 17 1 1 A 3 3 LEU CA C 3 54.590 52.494 2.096 1
1 23 . 17 1 1 A 3 3 LEU CB C 3 43.701 45.897 -2.196 1
1 27 . 17 1 1 A 3 3 LEU N N 3 128.942 119.206 9.736 1
1 28 . 17 1 1 A 4 4 ASN H H 4 8.227 8.798 -0.571 1
1 29 . 17 1 1 A 4 4 ASN HA H 4 4.864 5.434 -0.570 1
1 32 . 17 1 1 A 4 4 ASN CA C 4 52.628 52.008 0.620 1
1 33 . 17 1 1 A 4 4 ASN CB C 4 41.258 42.669 -1.411 1
1 34 . 17 1 1 A 4 4 ASN N N 4 127.137 118.075 9.062 1
1 35 . 17 1 1 A 5 5 ILE H H 5 8.659 8.598 0.061 1
1 36 . 17 1 1 A 5 5 ILE HA H 5 4.901 5.131 -0.230 1
1 46 . 17 1 1 A 5 5 ILE CA C 5 60.288 59.133 1.155 1
1 47 . 17 1 1 A 5 5 ILE CB C 5 40.902 42.405 -1.503 1
1 51 . 17 1 1 A 5 5 ILE N N 5 126.355 118.047 8.308 1
1 52 . 17 1 1 A 6 6 THR H H 6 8.796 8.754 0.042 1
1 53 . 17 1 1 A 6 6 THR HA H 6 4.654 4.855 -0.201 1
1 58 . 17 1 1 A 6 6 THR CA C 6 60.751 60.841 -0.090 1
1 59 . 17 1 1 A 6 6 THR CB C 6 71.993 71.624 0.369 1
1 61 . 17 1 1 A 6 6 THR N N 6 123.546 117.615 5.931 1
1 62 . 17 1 1 A 7 7 GLY H H 7 8.833 9.179 -0.346 1
1 63 . 17 1 1 A 7 7 GLY HA2 H 7 3.764 4.204 -0.440 1
1 64 . 17 1 1 A 7 7 GLY HA3 H 7 5.071 4.212 0.859 1
1 65 . 17 1 1 A 7 7 GLY CA C 7 44.318 44.725 -0.407 1
1 66 . 17 1 1 A 7 7 GLY N N 7 112.240 115.190 -2.950 1
1 67 . 17 1 1 A 8 8 ASN H H 8 8.962 8.366 0.596 1
1 68 . 17 1 1 A 8 8 ASN HA H 8 4.828 5.391 -0.563 1
1 71 . 17 1 1 A 8 8 ASN CA C 8 52.799 52.082 0.717 1
1 72 . 17 1 1 A 8 8 ASN CB C 8 39.244 39.700 -0.456 1
1 73 . 17 1 1 A 8 8 ASN N N 8 124.384 119.373 5.011 1
1 74 . 17 1 1 A 9 9 ASN H H 9 8.756 9.109 -0.353 1
1 75 . 17 1 1 A 9 9 ASN HA H 9 4.248 4.272 -0.024 1
1 78 . 17 1 1 A 9 9 ASN CA C 9 53.998 54.161 -0.163 1
1 79 . 17 1 1 A 9 9 ASN CB C 9 37.231 37.663 -0.432 1
1 80 . 17 1 1 A 9 9 ASN N N 9 120.082 118.306 1.776 1
1 81 . 17 1 1 A 10 10 VAL H H 10 6.825 7.734 -0.909 1
1 82 . 17 1 1 A 10 10 VAL HA H 10 4.097 4.511 -0.414 1
1 90 . 17 1 1 A 10 10 VAL CA C 10 60.425 60.182 0.243 1
1 91 . 17 1 1 A 10 10 VAL CB C 10 34.765 35.312 -0.547 1
1 94 . 17 1 1 A 10 10 VAL N N 10 115.342 117.649 -2.307 1
1 95 . 17 1 1 A 11 11 GLU H H 11 8.347 8.627 -0.280 1
1 96 . 17 1 1 A 11 11 GLU HA H 11 4.174 4.534 -0.360 1
1 101 . 17 1 1 A 11 11 GLU CA C 11 55.442 56.491 -1.049 1
1 102 . 17 1 1 A 11 11 GLU CB C 11 30.114 29.796 0.318 1
1 104 . 17 1 1 A 11 11 GLU N N 11 129.115 127.530 1.585 1
1 105 . 17 1 1 A 12 12 ILE H H 12 8.942 8.963 -0.021 1
1 106 . 17 1 1 A 12 12 ILE HA H 12 4.034 4.483 -0.449 1
1 116 . 17 1 1 A 12 12 ILE CA C 12 58.894 60.993 -2.099 1
1 117 . 17 1 1 A 12 12 ILE CB C 12 33.240 36.760 -3.520 1
1 121 . 17 1 1 A 12 12 ILE N N 12 128.622 128.007 0.615 1
1 122 . 17 1 1 A 13 13 THR H H 13 6.818 7.867 -1.049 1
1 123 . 17 1 1 A 13 13 THR HA H 13 4.429 4.928 -0.499 1
1 128 . 17 1 1 A 13 13 THR CA C 13 60.052 59.871 0.181 1
1 129 . 17 1 1 A 13 13 THR CB C 13 70.842 71.109 -0.267 1
1 131 . 17 1 1 A 13 13 THR N N 13 119.687 119.956 -0.269 1
1 132 . 17 1 1 A 14 14 GLU H H 14 8.969 9.024 -0.055 1
1 133 . 17 1 1 A 14 14 GLU HA H 14 4.024 3.973 0.051 1
1 138 . 17 1 1 A 14 14 GLU CA C 14 59.794 59.904 -0.110 1
1 139 . 17 1 1 A 14 14 GLU CB C 14 28.845 29.282 -0.437 1
1 141 . 17 1 1 A 14 14 GLU N N 14 123.290 122.425 0.865 1
1 142 . 17 1 1 A 15 15 ALA H H 15 8.334 7.930 0.404 1
1 143 . 17 1 1 A 15 15 ALA HA H 15 4.151 4.129 0.022 1
1 147 . 17 1 1 A 15 15 ALA CA C 15 55.076 55.197 -0.121 1
1 148 . 17 1 1 A 15 15 ALA CB C 15 18.008 18.544 -0.536 1
1 149 . 17 1 1 A 15 15 ALA N N 15 121.958 122.572 -0.614 1
1 150 . 17 1 1 A 16 16 LEU H H 16 7.765 8.291 -0.526 1
1 151 . 17 1 1 A 16 16 LEU HA H 16 4.240 4.233 0.007 1
1 161 . 17 1 1 A 16 16 LEU CA C 16 57.674 58.624 -0.950 1
1 162 . 17 1 1 A 16 16 LEU CB C 16 42.122 41.938 0.184 1
1 166 . 17 1 1 A 16 16 LEU N N 16 123.064 120.308 2.756 1
1 167 . 17 1 1 A 17 17 ARG H H 17 8.627 7.946 0.681 1
1 168 . 17 1 1 A 17 17 ARG HA H 17 3.595 4.145 -0.550 1
1 175 . 17 1 1 A 17 17 ARG CA C 17 60.573 59.059 1.514 1
1 176 . 17 1 1 A 17 17 ARG CB C 17 29.679 30.135 -0.456 1
1 179 . 17 1 1 A 17 17 ARG N N 17 121.878 118.384 3.494 1
1 180 . 17 1 1 A 18 18 GLU H H 18 8.665 7.915 0.750 1
1 181 . 17 1 1 A 18 18 GLU HA H 18 3.952 4.091 -0.139 1
1 186 . 17 1 1 A 18 18 GLU CA C 18 59.654 59.284 0.370 1
1 187 . 17 1 1 A 18 18 GLU CB C 18 29.301 29.502 -0.201 1
1 189 . 17 1 1 A 18 18 GLU N N 18 123.257 119.643 3.614 1
1 190 . 17 1 1 A 19 19 PHE H H 19 8.026 8.569 -0.543 1
1 191 . 17 1 1 A 19 19 PHE HA H 19 4.258 4.180 0.078 1
1 195 . 17 1 1 A 19 19 PHE CA C 19 61.640 61.144 0.496 1
1 196 . 17 1 1 A 19 19 PHE CB C 19 39.547 39.258 0.289 1
1 198 . 17 1 1 A 19 19 PHE N N 19 123.888 121.502 2.386 1
1 199 . 17 1 1 A 20 20 VAL H H 20 8.734 8.210 0.524 1
1 200 . 17 1 1 A 20 20 VAL HA H 20 3.336 3.809 -0.473 1
1 208 . 17 1 1 A 20 20 VAL CA C 20 67.245 66.626 0.619 1
1 209 . 17 1 1 A 20 20 VAL CB C 20 31.965 31.921 0.044 1
1 212 . 17 1 1 A 20 20 VAL N N 20 119.762 118.794 0.968 1
1 213 . 17 1 1 A 21 21 THR H H 21 8.213 8.328 -0.115 1
1 214 . 17 1 1 A 21 21 THR HA H 21 3.615 3.993 -0.378 1
1 218 . 17 1 1 A 21 21 THR CA C 21 67.657 66.365 1.292 1
1 219 . 17 1 1 A 21 21 THR CB C 21 68.697 68.302 0.395 1
1 221 . 17 1 1 A 21 21 THR N N 21 117.446 115.160 2.286 1
1 222 . 17 1 1 A 22 22 ALA H H 22 8.050 8.782 -0.732 1
1 223 . 17 1 1 A 22 22 ALA HA H 22 4.084 3.978 0.106 1
1 227 . 17 1 1 A 22 22 ALA CA C 22 54.998 55.543 -0.545 1
1 228 . 17 1 1 A 22 22 ALA CB C 22 17.880 18.604 -0.724 1
1 229 . 17 1 1 A 22 22 ALA N N 22 125.291 123.272 2.019 1
1 230 . 17 1 1 A 23 23 LYS H H 23 7.868 7.634 0.234 1
1 231 . 17 1 1 A 23 23 LYS HA H 23 3.886 3.912 -0.026 1
1 240 . 17 1 1 A 23 23 LYS CA C 23 57.286 59.126 -1.840 1
1 241 . 17 1 1 A 23 23 LYS CB C 23 30.651 32.371 -1.720 1
1 245 . 17 1 1 A 23 23 LYS N N 23 119.332 117.546 1.786 1
1 246 . 17 1 1 A 24 24 PHE H H 24 8.369 8.288 0.081 1
1 247 . 17 1 1 A 24 24 PHE HA H 24 3.805 4.384 -0.579 1
1 252 . 17 1 1 A 24 24 PHE CA C 24 62.055 60.542 1.513 1
1 253 . 17 1 1 A 24 24 PHE CB C 24 38.744 38.658 0.086 1
1 256 . 17 1 1 A 24 24 PHE N N 24 119.142 118.288 0.854 1
1 257 . 17 1 1 A 25 25 ALA H H 25 7.879 8.303 -0.424 1
1 258 . 17 1 1 A 25 25 ALA HA H 25 4.140 4.135 0.005 1
1 262 . 17 1 1 A 25 25 ALA CA C 25 55.014 55.242 -0.228 1
1 263 . 17 1 1 A 25 25 ALA CB C 25 17.773 18.302 -0.529 1
1 264 . 17 1 1 A 25 25 ALA N N 25 123.500 121.639 1.861 1
1 265 . 17 1 1 A 26 26 LYS H H 26 7.217 7.487 -0.270 1
1 266 . 17 1 1 A 26 26 LYS HA H 26 4.024 3.886 0.138 1
1 275 . 17 1 1 A 26 26 LYS CA C 26 58.189 58.775 -0.586 1
1 276 . 17 1 1 A 26 26 LYS CB C 26 32.033 32.001 0.032 1
1 280 . 17 1 1 A 26 26 LYS N N 26 118.541 118.511 0.030 1
1 281 . 17 1 1 A 27 27 LEU H H 27 7.773 7.611 0.162 1
1 282 . 17 1 1 A 27 27 LEU HA H 27 4.257 3.395 0.862 1
1 292 . 17 1 1 A 27 27 LEU CA C 27 55.889 56.035 -0.146 1
1 293 . 17 1 1 A 27 27 LEU CB C 27 41.083 41.750 -0.667 1
1 297 . 17 1 1 A 27 27 LEU N N 27 118.340 119.196 -0.856 1
1 298 . 17 1 1 A 28 28 GLU H H 28 7.296 8.228 -0.932 1
1 299 . 17 1 1 A 28 28 GLU HA H 28 3.489 4.210 -0.721 1
1 304 . 17 1 1 A 28 28 GLU CA C 28 58.336 58.630 -0.294 1
1 305 . 17 1 1 A 28 28 GLU CB C 28 29.265 29.732 -0.467 1
1 307 . 17 1 1 A 28 28 GLU N N 28 119.557 120.584 -1.027 1
1 308 . 17 1 1 A 29 29 GLN H H 29 7.783 7.561 0.222 1
1 309 . 17 1 1 A 29 29 GLN HA H 29 3.923 3.968 -0.045 1
1 314 . 17 1 1 A 29 29 GLN CA C 29 57.387 58.295 -0.908 1
1 315 . 17 1 1 A 29 29 GLN CB C 29 28.082 28.592 -0.510 1
1 317 . 17 1 1 A 29 29 GLN N N 29 117.927 118.624 -0.697 1
1 318 . 17 1 1 A 30 30 TYR H H 30 7.731 6.792 0.939 1
1 319 . 17 1 1 A 30 30 TYR HA H 30 4.433 4.506 -0.073 1
1 324 . 17 1 1 A 30 30 TYR CA C 30 58.371 57.841 0.530 1
1 325 . 17 1 1 A 30 30 TYR CB C 30 39.297 39.203 0.094 1
1 328 . 17 1 1 A 30 30 TYR N N 30 118.639 116.591 2.048 1
1 329 . 17 1 1 A 31 31 PHE H H 31 7.652 7.889 -0.237 1
1 330 . 17 1 1 A 31 31 PHE HA H 31 4.605 4.918 -0.313 1
1 334 . 17 1 1 A 31 31 PHE CA C 31 58.507 57.804 0.703 1
1 335 . 17 1 1 A 31 31 PHE CB C 31 40.438 40.087 0.351 1
1 337 . 17 1 1 A 31 31 PHE N N 31 119.753 119.786 -0.033 1
1 338 . 17 1 1 A 32 32 ASP H H 32 8.087 9.228 -1.141 1
1 339 . 17 1 1 A 32 32 ASP HA H 32 4.465 4.984 -0.519 1
1 342 . 17 1 1 A 32 32 ASP CA C 32 55.094 54.348 0.746 1
1 343 . 17 1 1 A 32 32 ASP CB C 32 40.511 42.103 -1.592 1
1 344 . 17 1 1 A 32 32 ASP N N 32 121.865 126.541 -4.676 1
1 345 . 17 1 1 A 33 33 ARG H H 33 7.083 7.836 -0.753 1
1 346 . 17 1 1 A 33 33 ARG HA H 33 4.412 4.555 -0.143 1
1 353 . 17 1 1 A 33 33 ARG CA C 33 55.082 55.651 -0.569 1
1 354 . 17 1 1 A 33 33 ARG CB C 33 30.409 29.248 1.161 1
1 357 . 17 1 1 A 33 33 ARG N N 33 119.603 117.294 2.309 1
1 358 . 17 1 1 A 34 34 ILE H H 34 8.139 7.581 0.558 1
1 359 . 17 1 1 A 34 34 ILE HA H 34 4.051 4.674 -0.623 1
1 369 . 17 1 1 A 34 34 ILE CA C 34 61.543 60.965 0.578 1
1 370 . 17 1 1 A 34 34 ILE CB C 34 39.510 40.017 -0.507 1
1 374 . 17 1 1 A 34 34 ILE N N 34 123.576 121.841 1.735 1
1 375 . 17 1 1 A 35 35 ASN H H 35 8.560 8.829 -0.269 1
1 376 . 17 1 1 A 35 35 ASN HA H 35 4.870 4.940 -0.070 1
1 379 . 17 1 1 A 35 35 ASN CA C 35 53.877 54.019 -0.142 1
1 380 . 17 1 1 A 35 35 ASN CB C 35 38.806 39.553 -0.747 1
1 381 . 17 1 1 A 35 35 ASN N N 35 126.934 122.630 4.304 1
1 382 . 17 1 1 A 36 36 GLN H H 36 7.843 7.814 0.029 1
1 383 . 17 1 1 A 36 36 GLN HA H 36 4.519 5.243 -0.724 1
1 388 . 17 1 1 A 36 36 GLN CA C 36 56.345 54.195 2.150 1
1 389 . 17 1 1 A 36 36 GLN CB C 36 31.240 30.770 0.470 1
1 391 . 17 1 1 A 36 36 GLN N N 36 120.673 118.016 2.657 1
1 392 . 17 1 1 A 37 37 VAL H H 37 8.330 8.894 -0.564 1
1 393 . 17 1 1 A 37 37 VAL HA H 37 4.693 4.863 -0.170 1
1 401 . 17 1 1 A 37 37 VAL CA C 37 60.789 61.085 -0.296 1
1 402 . 17 1 1 A 37 37 VAL CB C 37 34.740 34.787 -0.047 1
1 405 . 17 1 1 A 37 37 VAL N N 37 123.403 126.273 -2.870 1
1 406 . 17 1 1 A 38 38 TYR H H 38 8.943 8.073 0.870 1
1 407 . 17 1 1 A 38 38 TYR HA H 38 5.039 6.149 -1.110 1
1 412 . 17 1 1 A 38 38 TYR CA C 38 57.028 55.302 1.726 1
1 413 . 17 1 1 A 38 38 TYR CB C 38 39.705 41.694 -1.989 1
1 416 . 17 1 1 A 38 38 TYR N N 38 129.202 123.595 5.607 1
1 417 . 17 1 1 A 39 39 VAL H H 39 9.053 8.540 0.513 1
1 418 . 17 1 1 A 39 39 VAL HA H 39 5.048 5.319 -0.271 1
1 426 . 17 1 1 A 39 39 VAL CA C 39 60.685 60.680 0.005 1
1 427 . 17 1 1 A 39 39 VAL CB C 39 34.107 35.140 -1.033 1
1 430 . 17 1 1 A 39 39 VAL N N 39 127.771 124.054 3.717 1
1 431 . 17 1 1 A 40 40 VAL H H 40 9.276 8.850 0.426 1
1 432 . 17 1 1 A 40 40 VAL HA H 40 4.862 5.005 -0.143 1
1 440 . 17 1 1 A 40 40 VAL CA C 40 60.896 60.874 0.022 1
1 441 . 17 1 1 A 40 40 VAL CB C 40 34.411 35.637 -1.226 1
1 444 . 17 1 1 A 40 40 VAL N N 40 130.939 126.267 4.672 1
1 445 . 17 1 1 A 41 41 LEU H H 41 8.714 8.832 -0.118 1
1 446 . 17 1 1 A 41 41 LEU HA H 41 5.111 5.575 -0.464 1
1 456 . 17 1 1 A 41 41 LEU CA C 41 53.150 53.005 0.145 1
1 457 . 17 1 1 A 41 41 LEU CB C 41 42.538 45.181 -2.643 1
1 461 . 17 1 1 A 41 41 LEU N N 41 130.200 125.176 5.024 1
1 462 . 17 1 1 A 42 42 LYS H H 42 8.955 9.828 -0.873 1
1 463 . 17 1 1 A 42 42 LYS HA H 42 5.180 5.527 -0.347 1
1 472 . 17 1 1 A 42 42 LYS CA C 42 55.017 55.034 -0.017 1
1 473 . 17 1 1 A 42 42 LYS CB C 42 36.649 34.591 2.058 1
1 477 . 17 1 1 A 42 42 LYS N N 42 124.155 123.465 0.690 1
1 478 . 17 1 1 A 43 43 VAL H H 43 7.515 8.240 -0.725 1
1 479 . 17 1 1 A 43 43 VAL HA H 43 4.360 4.422 -0.062 1
1 487 . 17 1 1 A 43 43 VAL CA C 43 61.230 61.320 -0.090 1
1 488 . 17 1 1 A 43 43 VAL CB C 43 33.656 32.627 1.029 1
1 491 . 17 1 1 A 43 43 VAL N N 43 124.332 126.067 -1.735 1
1 492 . 17 1 1 A 44 44 GLU H H 44 8.092 8.157 -0.065 1
1 493 . 17 1 1 A 44 44 GLU HA H 44 4.368 4.751 -0.383 1
1 498 . 17 1 1 A 44 44 GLU CA C 44 55.445 54.258 1.187 1
1 499 . 17 1 1 A 44 44 GLU CB C 44 31.404 33.081 -1.677 1
1 501 . 17 1 1 A 44 44 GLU N N 44 130.594 126.320 4.274 1
1 502 . 17 1 1 A 45 45 LYS H H 45 8.982 8.647 0.335 1
1 503 . 17 1 1 A 45 45 LYS HA H 45 3.695 3.913 -0.218 1
1 512 . 17 1 1 A 45 45 LYS CA C 45 59.588 58.883 0.705 1
1 513 . 17 1 1 A 45 45 LYS CB C 45 30.077 32.058 -1.981 1
1 517 . 17 1 1 A 45 45 LYS N N 45 125.587 121.067 4.520 1
1 518 . 17 1 1 A 46 46 VAL H H 46 7.710 7.410 0.300 1
1 519 . 17 1 1 A 46 46 VAL HA H 46 4.346 3.986 0.360 1
1 527 . 17 1 1 A 46 46 VAL CA C 46 61.342 64.646 -3.304 1
1 528 . 17 1 1 A 46 46 VAL CB C 46 31.917 31.916 0.001 1
1 531 . 17 1 1 A 46 46 VAL N N 46 115.763 118.223 -2.460 1
1 532 . 17 1 1 A 47 47 THR H H 47 8.151 7.731 0.420 1
1 533 . 17 1 1 A 47 47 THR HA H 47 4.397 5.301 -0.904 1
1 538 . 17 1 1 A 47 47 THR CA C 47 63.072 61.036 2.036 1
1 539 . 17 1 1 A 47 47 THR CB C 47 69.615 72.283 -2.668 1
1 541 . 17 1 1 A 47 47 THR N N 47 120.888 111.935 8.953 1
1 542 . 17 1 1 A 48 48 HIS H H 48 8.753 9.152 -0.399 1
1 543 . 17 1 1 A 48 48 HIS HA H 48 4.826 5.461 -0.635 1
1 547 . 17 1 1 A 48 48 HIS CA C 48 55.978 54.813 1.165 1
1 548 . 17 1 1 A 48 48 HIS CB C 48 30.476 31.529 -1.053 1
1 550 . 17 1 1 A 48 48 HIS N N 48 130.755 123.284 7.471 1
1 551 . 17 1 1 A 49 49 THR H H 49 9.136 8.634 0.502 1
1 552 . 17 1 1 A 49 49 THR HA H 49 5.245 5.077 0.168 1
1 557 . 17 1 1 A 49 49 THR CA C 49 60.941 61.193 -0.252 1
1 558 . 17 1 1 A 49 49 THR CB C 49 71.411 71.780 -0.369 1
1 560 . 17 1 1 A 49 49 THR N N 49 118.522 118.201 0.321 1
1 561 . 17 1 1 A 50 50 SER H H 50 9.050 9.341 -0.291 1
1 562 . 17 1 1 A 50 50 SER HA H 50 5.348 5.620 -0.272 1
1 565 . 17 1 1 A 50 50 SER CA C 50 55.645 56.886 -1.241 1
1 566 . 17 1 1 A 50 50 SER CB C 50 66.579 66.599 -0.020 1
1 567 . 17 1 1 A 50 50 SER N N 50 119.749 119.192 0.557 1
1 568 . 17 1 1 A 51 51 ASP H H 51 8.843 9.369 -0.526 1
1 569 . 17 1 1 A 51 51 ASP HA H 51 5.363 5.758 -0.395 1
1 572 . 17 1 1 A 51 51 ASP CA C 51 52.879 52.326 0.553 1
1 573 . 17 1 1 A 51 51 ASP CB C 51 45.173 45.094 0.079 1
1 574 . 17 1 1 A 51 51 ASP N N 51 126.330 121.039 5.291 1
1 575 . 17 1 1 A 52 52 ALA H H 52 8.938 9.210 -0.272 1
1 576 . 17 1 1 A 52 52 ALA HA H 52 5.777 5.086 0.691 1
1 580 . 17 1 1 A 52 52 ALA CA C 52 50.806 51.581 -0.775 1
1 581 . 17 1 1 A 52 52 ALA CB C 52 24.676 21.235 3.441 1
1 582 . 17 1 1 A 52 52 ALA N N 52 122.789 121.964 0.825 1
1 583 . 17 1 1 A 53 53 THR H H 53 8.666 8.557 0.109 1
1 584 . 17 1 1 A 53 53 THR HA H 53 4.979 4.902 0.077 1
1 589 . 17 1 1 A 53 53 THR CA C 53 62.026 61.514 0.512 1
1 590 . 17 1 1 A 53 53 THR CB C 53 70.850 68.995 1.855 1
1 592 . 17 1 1 A 53 53 THR N N 53 118.344 118.274 0.070 1
1 593 . 17 1 1 A 54 54 LEU H H 54 9.662 8.857 0.805 1
1 594 . 17 1 1 A 54 54 LEU HA H 54 4.921 4.961 -0.040 1
1 604 . 17 1 1 A 54 54 LEU CA C 54 53.923 53.925 -0.002 1
1 605 . 17 1 1 A 54 54 LEU CB C 54 43.782 44.128 -0.346 1
1 609 . 17 1 1 A 54 54 LEU N N 54 129.166 127.608 1.558 1
1 610 . 17 1 1 A 55 55 HIS H H 55 8.956 9.079 -0.123 1
1 611 . 17 1 1 A 55 55 HIS HA H 55 4.882 5.100 -0.218 1
1 615 . 17 1 1 A 55 55 HIS CA C 55 56.326 55.193 1.133 1
1 616 . 17 1 1 A 55 55 HIS CB C 55 30.431 31.192 -0.761 1
1 618 . 17 1 1 A 55 55 HIS N N 55 126.094 121.999 4.095 1
1 619 . 17 1 1 A 56 56 VAL H H 56 8.151 8.471 -0.320 1
1 620 . 17 1 1 A 56 56 VAL HA H 56 4.856 4.476 0.380 1
1 628 . 17 1 1 A 56 56 VAL CA C 56 58.734 60.023 -1.289 1
1 629 . 17 1 1 A 56 56 VAL CB C 56 34.523 32.939 1.584 1
1 632 . 17 1 1 A 56 56 VAL N N 56 120.242 122.893 -2.651 1
1 633 . 17 1 1 A 57 57 ASN H H 57 8.970 8.828 0.142 1
1 634 . 17 1 1 A 57 57 ASN HA H 57 4.463 4.383 0.080 1
1 637 . 17 1 1 A 57 57 ASN CA C 57 54.963 56.455 -1.492 1
1 638 . 17 1 1 A 57 57 ASN CB C 57 37.481 38.001 -0.520 1
1 639 . 17 1 1 A 57 57 ASN N N 57 124.652 122.609 2.043 1
1 640 . 17 1 1 A 58 58 GLY H H 58 8.868 8.128 0.740 1
1 641 . 17 1 1 A 58 58 GLY HA2 H 58 3.814 3.776 0.038 1
1 642 . 17 1 1 A 58 58 GLY HA3 H 58 4.152 3.779 0.373 1
1 643 . 17 1 1 A 58 58 GLY CA C 58 45.606 46.588 -0.982 1
1 644 . 17 1 1 A 58 58 GLY N N 58 112.816 107.480 5.336 1
1 645 . 17 1 1 A 59 59 GLY H H 59 7.848 7.826 0.022 1
1 646 . 17 1 1 A 59 59 GLY HA2 H 59 3.978 3.992 -0.014 1
1 647 . 17 1 1 A 59 59 GLY HA3 H 59 4.153 3.994 0.159 1
1 648 . 17 1 1 A 59 59 GLY CA C 59 45.321 43.895 1.426 1
1 649 . 17 1 1 A 59 59 GLY N N 59 109.857 108.818 1.039 1
1 650 . 17 1 1 A 60 60 GLU H H 60 8.262 8.417 -0.155 1
1 651 . 17 1 1 A 60 60 GLU HA H 60 5.110 4.895 0.215 1
1 656 . 17 1 1 A 60 60 GLU CA C 60 54.756 54.756 0.000 1
1 657 . 17 1 1 A 60 60 GLU CB C 60 32.933 33.803 -0.870 1
1 659 . 17 1 1 A 60 60 GLU N N 60 121.732 119.846 1.886 1
1 660 . 17 1 1 A 61 61 ILE H H 61 8.764 8.568 0.196 1
1 661 . 17 1 1 A 61 61 ILE HA H 61 4.286 4.829 -0.543 1
1 671 . 17 1 1 A 61 61 ILE CA C 61 59.713 60.236 -0.523 1
1 672 . 17 1 1 A 61 61 ILE CB C 61 41.194 39.727 1.467 1
1 676 . 17 1 1 A 61 61 ILE N N 61 124.817 123.872 0.945 1
1 677 . 17 1 1 A 62 62 HIS H H 62 8.907 8.894 0.013 1
1 678 . 17 1 1 A 62 62 HIS HA H 62 5.743 5.212 0.531 1
1 682 . 17 1 1 A 62 62 HIS CA C 62 54.009 53.446 0.563 1
1 683 . 17 1 1 A 62 62 HIS CB C 62 32.365 33.093 -0.728 1
1 685 . 17 1 1 A 62 62 HIS N N 62 127.338 126.899 0.439 1
1 686 . 17 1 1 A 63 63 ALA H H 63 8.298 9.115 -0.817 1
1 687 . 17 1 1 A 63 63 ALA HA H 63 4.480 5.342 -0.862 1
1 691 . 17 1 1 A 63 63 ALA CA C 63 51.764 50.209 1.555 1
1 692 . 17 1 1 A 63 63 ALA CB C 63 23.678 23.397 0.281 1
1 693 . 17 1 1 A 63 63 ALA N N 63 125.511 130.633 -5.122 1
1 694 . 17 1 1 A 64 64 SER H H 64 8.070 8.829 -0.759 1
1 695 . 17 1 1 A 64 64 SER HA H 64 5.286 5.380 -0.094 1
1 698 . 17 1 1 A 64 64 SER CA C 64 56.782 57.237 -0.455 1
1 699 . 17 1 1 A 64 64 SER CB C 64 65.895 66.117 -0.222 1
1 700 . 17 1 1 A 64 64 SER N N 64 114.469 114.697 -0.228 1
1 701 . 17 1 1 A 65 65 ALA H H 65 8.904 9.066 -0.162 1
1 702 . 17 1 1 A 65 65 ALA HA H 65 4.669 5.177 -0.508 1
1 706 . 17 1 1 A 65 65 ALA CA C 65 51.753 50.894 0.859 1
1 707 . 17 1 1 A 65 65 ALA CB C 65 22.599 24.435 -1.836 1
1 708 . 17 1 1 A 65 65 ALA N N 65 126.977 124.748 2.229 1
1 709 . 17 1 1 A 66 66 GLU H H 66 8.200 9.034 -0.834 1
1 710 . 17 1 1 A 66 66 GLU HA H 66 5.680 5.262 0.418 1
1 715 . 17 1 1 A 66 66 GLU CA C 66 53.650 54.528 -0.878 1
1 716 . 17 1 1 A 66 66 GLU CB C 66 33.741 34.118 -0.377 1
1 718 . 17 1 1 A 66 66 GLU N N 66 119.267 117.574 1.693 1
1 719 . 17 1 1 A 67 67 GLY H H 67 8.836 7.990 0.846 1
1 720 . 17 1 1 A 67 67 GLY HA2 H 67 4.490 4.238 0.252 1
1 721 . 17 1 1 A 67 67 GLY HA3 H 67 3.728 4.248 -0.520 1
1 722 . 17 1 1 A 67 67 GLY CA C 67 45.157 45.195 -0.038 1
1 723 . 17 1 1 A 67 67 GLY N N 67 108.048 106.524 1.524 1
1 724 . 17 1 1 A 68 68 GLN H H 68 8.997 8.698 0.299 1
1 725 . 17 1 1 A 68 68 GLN HA H 68 4.440 3.941 0.499 1
1 730 . 17 1 1 A 68 68 GLN CA C 68 56.996 58.045 -1.049 1
1 731 . 17 1 1 A 68 68 GLN CB C 68 28.694 28.678 0.016 1
1 733 . 17 1 1 A 68 68 GLN N N 68 119.961 119.388 0.573 1
1 734 . 17 1 1 A 69 69 ASP H H 69 7.542 7.387 0.155 1
1 735 . 17 1 1 A 69 69 ASP HA H 69 3.242 3.548 -0.306 1
1 738 . 17 1 1 A 69 69 ASP CA C 69 51.838 52.324 -0.486 1
1 739 . 17 1 1 A 69 69 ASP CB C 69 42.829 42.410 0.419 1
1 740 . 17 1 1 A 69 69 ASP N N 69 115.279 113.875 1.404 1
1 741 . 17 1 1 A 70 70 MET H H 70 8.409 8.701 -0.292 1
1 742 . 17 1 1 A 70 70 MET HA H 70 4.200 4.241 -0.041 1
1 747 . 17 1 1 A 70 70 MET CA C 70 56.505 58.974 -2.469 1
1 748 . 17 1 1 A 70 70 MET CB C 70 31.533 32.060 -0.527 1
1 750 . 17 1 1 A 70 70 MET N N 70 120.495 118.411 2.084 1
1 751 . 17 1 1 A 71 71 TYR H H 71 7.304 7.947 -0.643 1
1 752 . 17 1 1 A 71 71 TYR HA H 71 3.832 4.195 -0.363 1
1 757 . 17 1 1 A 71 71 TYR CA C 71 60.141 60.525 -0.384 1
1 758 . 17 1 1 A 71 71 TYR CB C 71 35.788 37.005 -1.217 1
1 761 . 17 1 1 A 71 71 TYR N N 71 120.024 118.537 1.487 1
1 762 . 17 1 1 A 72 72 ALA H H 72 8.474 8.632 -0.158 1
1 763 . 17 1 1 A 72 72 ALA HA H 72 4.213 3.976 0.237 1
1 767 . 17 1 1 A 72 72 ALA CA C 72 54.526 55.180 -0.654 1
1 768 . 17 1 1 A 72 72 ALA CB C 72 18.884 18.300 0.584 1
1 769 . 17 1 1 A 72 72 ALA N N 72 123.384 122.398 0.986 1
1 770 . 17 1 1 A 73 73 ALA H H 73 7.595 8.007 -0.412 1
1 771 . 17 1 1 A 73 73 ALA HA H 73 3.731 4.142 -0.411 1
1 775 . 17 1 1 A 73 73 ALA CA C 73 55.647 54.505 1.142 1
1 776 . 17 1 1 A 73 73 ALA CB C 73 17.460 18.674 -1.214 1
1 777 . 17 1 1 A 73 73 ALA N N 73 123.415 120.115 3.300 1
1 778 . 17 1 1 A 74 74 ILE H H 74 7.958 7.477 0.481 1
1 779 . 17 1 1 A 74 74 ILE HA H 74 3.692 3.830 -0.138 1
1 789 . 17 1 1 A 74 74 ILE CA C 74 63.902 65.025 -1.123 1
1 790 . 17 1 1 A 74 74 ILE CB C 74 37.010 36.787 0.223 1
1 794 . 17 1 1 A 74 74 ILE N N 74 119.834 119.047 0.787 1
1 795 . 17 1 1 A 75 75 ASP H H 75 8.468 8.429 0.039 1
1 796 . 17 1 1 A 75 75 ASP HA H 75 4.282 4.403 -0.121 1
1 799 . 17 1 1 A 75 75 ASP CA C 75 58.107 57.390 0.717 1
1 800 . 17 1 1 A 75 75 ASP CB C 75 40.628 40.985 -0.357 1
1 801 . 17 1 1 A 75 75 ASP N N 75 122.091 121.738 0.353 1
1 802 . 17 1 1 A 76 76 GLY H H 76 8.041 8.171 -0.130 1
1 803 . 17 1 1 A 76 76 GLY HA2 H 76 3.845 3.741 0.104 1
1 804 . 17 1 1 A 76 76 GLY HA3 H 76 3.863 3.741 0.122 1
1 805 . 17 1 1 A 76 76 GLY CA C 76 46.668 47.405 -0.737 1
1 806 . 17 1 1 A 76 76 GLY N N 76 108.081 107.628 0.453 1
1 807 . 17 1 1 A 77 77 LEU H H 77 8.088 8.018 0.070 1
1 808 . 17 1 1 A 77 77 LEU HA H 77 3.709 4.226 -0.517 1
1 818 . 17 1 1 A 77 77 LEU CA C 77 57.865 57.309 0.556 1
1 819 . 17 1 1 A 77 77 LEU CB C 77 41.828 41.652 0.176 1
1 823 . 17 1 1 A 77 77 LEU N N 77 126.711 122.624 4.087 1
1 824 . 17 1 1 A 78 78 ILE H H 78 8.155 8.310 -0.155 1
1 825 . 17 1 1 A 78 78 ILE HA H 78 3.316 3.922 -0.606 1
1 835 . 17 1 1 A 78 78 ILE CA C 78 62.813 62.976 -0.163 1
1 836 . 17 1 1 A 78 78 ILE CB C 78 34.810 37.641 -2.831 1
1 840 . 17 1 1 A 78 78 ILE N N 78 120.409 118.966 1.443 1
1 841 . 17 1 1 A 79 79 ASP H H 79 7.408 7.879 -0.471 1
1 842 . 17 1 1 A 79 79 ASP HA H 79 4.274 4.353 -0.079 1
1 845 . 17 1 1 A 79 79 ASP CA C 79 57.605 57.357 0.248 1
1 846 . 17 1 1 A 79 79 ASP CB C 79 41.017 41.204 -0.187 1
1 847 . 17 1 1 A 79 79 ASP N N 79 120.497 121.875 -1.378 1
1 848 . 17 1 1 A 80 80 LYS H H 80 7.536 7.834 -0.298 1
1 849 . 17 1 1 A 80 80 LYS HA H 80 3.931 4.080 -0.149 1
1 858 . 17 1 1 A 80 80 LYS CA C 80 59.952 59.038 0.914 1
1 859 . 17 1 1 A 80 80 LYS CB C 80 33.221 31.674 1.547 1
1 863 . 17 1 1 A 80 80 LYS N N 80 119.684 118.110 1.574 1
1 864 . 17 1 1 A 81 81 LEU H H 81 8.473 7.955 0.518 1
1 865 . 17 1 1 A 81 81 LEU HA H 81 3.765 3.985 -0.220 1
1 875 . 17 1 1 A 81 81 LEU CA C 81 57.564 57.743 -0.179 1
1 876 . 17 1 1 A 81 81 LEU CB C 81 42.473 41.772 0.701 1
1 880 . 17 1 1 A 81 81 LEU N N 81 121.519 120.893 0.626 1
1 881 . 17 1 1 A 82 82 ALA H H 82 8.682 8.174 0.508 1
1 882 . 17 1 1 A 82 82 ALA HA H 82 3.479 4.317 -0.838 1
1 886 . 17 1 1 A 82 82 ALA CA C 82 55.731 55.916 -0.185 1
1 887 . 17 1 1 A 82 82 ALA CB C 82 17.388 18.362 -0.974 1
1 888 . 17 1 1 A 82 82 ALA N N 82 123.814 121.402 2.412 1
1 889 . 17 1 1 A 83 83 ARG H H 83 7.329 7.857 -0.528 1
1 890 . 17 1 1 A 83 83 ARG HA H 83 3.981 4.123 -0.142 1
1 897 . 17 1 1 A 83 83 ARG CA C 83 59.137 59.689 -0.552 1
1 898 . 17 1 1 A 83 83 ARG CB C 83 29.971 30.075 -0.104 1
1 901 . 17 1 1 A 83 83 ARG N N 83 118.219 117.832 0.387 1
1 902 . 17 1 1 A 84 84 GLN H H 84 7.750 7.612 0.138 1
1 903 . 17 1 1 A 84 84 GLN HA H 84 4.047 4.070 -0.023 1
1 906 . 17 1 1 A 84 84 GLN CA C 84 58.685 58.416 0.269 1
1 907 . 17 1 1 A 84 84 GLN CB C 84 29.903 28.286 1.617 1
1 909 . 17 1 1 A 84 84 GLN N N 84 119.887 119.283 0.604 1
1 910 . 17 1 1 A 85 85 LEU H H 85 8.610 7.980 0.630 1
1 911 . 17 1 1 A 85 85 LEU HA H 85 3.788 4.017 -0.229 1
1 920 . 17 1 1 A 85 85 LEU CA C 85 57.600 57.514 0.086 1
1 921 . 17 1 1 A 85 85 LEU CB C 85 41.178 40.713 0.465 1
1 925 . 17 1 1 A 85 85 LEU N N 85 122.951 119.854 3.097 1
1 926 . 17 1 1 A 86 86 THR H H 86 7.709 7.963 -0.254 1
1 927 . 17 1 1 A 86 86 THR HA H 86 4.056 4.000 0.056 1
1 932 . 17 1 1 A 86 86 THR CA C 86 65.924 67.099 -1.175 1
1 933 . 17 1 1 A 86 86 THR CB C 86 68.870 67.997 0.873 1
1 935 . 17 1 1 A 86 86 THR N N 86 116.282 116.300 -0.018 1
1 936 . 17 1 1 A 87 87 LYS H H 87 7.457 7.961 -0.504 1
1 937 . 17 1 1 A 87 87 LYS HA H 87 4.102 4.020 0.082 1
1 946 . 17 1 1 A 87 87 LYS CA C 87 58.289 59.450 -1.161 1
1 947 . 17 1 1 A 87 87 LYS CB C 87 32.293 32.684 -0.391 1
1 951 . 17 1 1 A 87 87 LYS N N 87 122.670 120.963 1.707 1
1 952 . 17 1 1 A 88 88 HIS H H 88 7.928 8.102 -0.174 1
1 953 . 17 1 1 A 88 88 HIS HA H 88 4.301 4.307 -0.006 1
1 957 . 17 1 1 A 88 88 HIS CA C 88 58.361 58.788 -0.427 1
1 958 . 17 1 1 A 88 88 HIS CB C 88 30.766 28.572 2.194 1
1 960 . 17 1 1 A 88 88 HIS N N 88 121.382 117.267 4.115 1
1 961 . 17 1 1 A 89 89 LYS H H 89 7.928 7.630 0.298 1
1 962 . 17 1 1 A 89 89 LYS HA H 89 3.934 3.843 0.091 1
1 971 . 17 1 1 A 89 89 LYS CA C 89 58.568 58.630 -0.062 1
1 972 . 17 1 1 A 89 89 LYS CB C 89 32.489 31.695 0.794 1
1 976 . 17 1 1 A 89 89 LYS N N 89 121.821 120.884 0.937 1
1 977 . 17 1 1 A 90 90 ASP H H 90 8.143 7.874 0.269 1
1 978 . 17 1 1 A 90 90 ASP HA H 90 4.445 4.371 0.074 1
1 981 . 17 1 1 A 90 90 ASP CA C 90 55.869 57.062 -1.193 1
1 982 . 17 1 1 A 90 90 ASP CB C 90 40.715 40.370 0.345 1
1 983 . 17 1 1 A 90 90 ASP N N 90 121.199 119.438 1.761 1
1 984 . 17 1 1 A 91 91 LYS H H 91 7.867 7.882 -0.015 1
1 985 . 17 1 1 A 91 91 LYS HA H 91 4.130 3.987 0.143 1
1 994 . 17 1 1 A 91 91 LYS CA C 91 57.421 59.415 -1.994 1
1 995 . 17 1 1 A 91 91 LYS CB C 91 32.365 32.404 -0.039 1
1 999 . 17 1 1 A 91 91 LYS N N 91 121.976 118.865 3.111 1
1 1000 . 17 1 1 A 92 92 LEU H H 92 7.709 8.173 -0.464 1
1 1001 . 17 1 1 A 92 92 LEU HA H 92 4.171 4.010 0.161 1
1 1011 . 17 1 1 A 92 92 LEU CA C 92 55.449 57.754 -2.305 1
1 1012 . 17 1 1 A 92 92 LEU CB C 92 41.871 40.847 1.024 1
1 1016 . 17 1 1 A 92 92 LEU N N 92 121.802 119.435 2.367 1
1 1017 . 17 1 1 A 93 93 LYS H H 93 7.751 7.577 0.174 1
1 1018 . 17 1 1 A 93 93 LYS HA H 93 4.197 4.244 -0.047 1
1 1027 . 17 1 1 A 93 93 LYS CA C 93 56.420 56.695 -0.275 1
1 1028 . 17 1 1 A 93 93 LYS CB C 93 32.792 33.541 -0.749 1
1 1032 . 17 1 1 A 93 93 LYS N N 93 121.954 119.672 2.282 1
1 1033 . 17 1 1 A 94 94 GLN H H 94 8.129 8.501 -0.372 1
1 1034 . 17 1 1 A 94 94 GLN HA H 94 4.208 4.655 -0.447 1
1 1039 . 17 1 1 A 94 94 GLN CA C 94 55.891 54.819 1.072 1
1 1040 . 17 1 1 A 94 94 GLN CB C 94 29.236 29.181 0.055 1
1 1042 . 17 1 1 A 94 94 GLN N N 94 123.165 119.770 3.395 1
1 1 . 18 1 1 A 2 2 GLN H H 2 7.809 8.714 -0.905 1
1 2 . 18 1 1 A 2 2 GLN HA H 2 4.394 4.680 -0.286 1
1 7 . 18 1 1 A 2 2 GLN CA C 2 55.124 54.724 0.400 1
1 8 . 18 1 1 A 2 2 GLN CB C 2 30.385 28.848 1.537 1
1 10 . 18 1 1 A 2 2 GLN N N 2 126.586 123.736 2.850 1
1 11 . 18 1 1 A 3 3 LEU H H 3 8.598 8.637 -0.039 1
1 12 . 18 1 1 A 3 3 LEU HA H 3 4.380 5.512 -1.132 1
1 22 . 18 1 1 A 3 3 LEU CA C 3 54.590 52.551 2.039 1
1 23 . 18 1 1 A 3 3 LEU CB C 3 43.701 45.615 -1.914 1
1 27 . 18 1 1 A 3 3 LEU N N 3 128.942 119.770 9.172 1
1 28 . 18 1 1 A 4 4 ASN H H 4 8.227 8.575 -0.348 1
1 29 . 18 1 1 A 4 4 ASN HA H 4 4.864 5.393 -0.529 1
1 32 . 18 1 1 A 4 4 ASN CA C 4 52.628 51.846 0.782 1
1 33 . 18 1 1 A 4 4 ASN CB C 4 41.258 43.120 -1.862 1
1 34 . 18 1 1 A 4 4 ASN N N 4 127.137 117.274 9.863 1
1 35 . 18 1 1 A 5 5 ILE H H 5 8.659 8.596 0.063 1
1 36 . 18 1 1 A 5 5 ILE HA H 5 4.901 5.235 -0.334 1
1 46 . 18 1 1 A 5 5 ILE CA C 5 60.288 59.539 0.749 1
1 47 . 18 1 1 A 5 5 ILE CB C 5 40.902 41.826 -0.924 1
1 51 . 18 1 1 A 5 5 ILE N N 5 126.355 120.484 5.871 1
1 52 . 18 1 1 A 6 6 THR H H 6 8.796 8.677 0.119 1
1 53 . 18 1 1 A 6 6 THR HA H 6 4.654 4.893 -0.239 1
1 58 . 18 1 1 A 6 6 THR CA C 6 60.751 61.011 -0.260 1
1 59 . 18 1 1 A 6 6 THR CB C 6 71.993 71.782 0.211 1
1 61 . 18 1 1 A 6 6 THR N N 6 123.546 121.598 1.948 1
1 62 . 18 1 1 A 7 7 GLY H H 7 8.833 9.180 -0.347 1
1 63 . 18 1 1 A 7 7 GLY HA2 H 7 3.764 4.207 -0.443 1
1 64 . 18 1 1 A 7 7 GLY HA3 H 7 5.071 4.214 0.857 1
1 65 . 18 1 1 A 7 7 GLY CA C 7 44.318 44.744 -0.426 1
1 66 . 18 1 1 A 7 7 GLY N N 7 112.240 114.815 -2.575 1
1 67 . 18 1 1 A 8 8 ASN H H 8 8.962 8.776 0.186 1
1 68 . 18 1 1 A 8 8 ASN HA H 8 4.828 5.150 -0.322 1
1 71 . 18 1 1 A 8 8 ASN CA C 8 52.799 52.520 0.279 1
1 72 . 18 1 1 A 8 8 ASN CB C 8 39.244 38.885 0.359 1
1 73 . 18 1 1 A 8 8 ASN N N 8 124.384 121.288 3.096 1
1 74 . 18 1 1 A 9 9 ASN H H 9 8.756 8.993 -0.237 1
1 75 . 18 1 1 A 9 9 ASN HA H 9 4.248 4.652 -0.404 1
1 78 . 18 1 1 A 9 9 ASN CA C 9 53.998 54.854 -0.856 1
1 79 . 18 1 1 A 9 9 ASN CB C 9 37.231 38.208 -0.977 1
1 80 . 18 1 1 A 9 9 ASN N N 9 120.082 118.415 1.667 1
1 81 . 18 1 1 A 10 10 VAL H H 10 6.825 7.824 -0.999 1
1 82 . 18 1 1 A 10 10 VAL HA H 10 4.097 4.380 -0.283 1
1 90 . 18 1 1 A 10 10 VAL CA C 10 60.425 60.576 -0.151 1
1 91 . 18 1 1 A 10 10 VAL CB C 10 34.765 33.675 1.090 1
1 94 . 18 1 1 A 10 10 VAL N N 10 115.342 121.647 -6.305 1
1 95 . 18 1 1 A 11 11 GLU H H 11 8.347 8.821 -0.474 1
1 96 . 18 1 1 A 11 11 GLU HA H 11 4.174 4.953 -0.779 1
1 101 . 18 1 1 A 11 11 GLU CA C 11 55.442 55.042 0.400 1
1 102 . 18 1 1 A 11 11 GLU CB C 11 30.114 32.329 -2.215 1
1 104 . 18 1 1 A 11 11 GLU N N 11 129.115 122.557 6.558 1
1 105 . 18 1 1 A 12 12 ILE H H 12 8.942 8.564 0.378 1
1 106 . 18 1 1 A 12 12 ILE HA H 12 4.034 4.242 -0.208 1
1 116 . 18 1 1 A 12 12 ILE CA C 12 58.894 61.476 -2.582 1
1 117 . 18 1 1 A 12 12 ILE CB C 12 33.240 37.195 -3.955 1
1 121 . 18 1 1 A 12 12 ILE N N 12 128.622 123.806 4.816 1
1 122 . 18 1 1 A 13 13 THR H H 13 6.818 8.385 -1.567 1
1 123 . 18 1 1 A 13 13 THR HA H 13 4.429 4.915 -0.486 1
1 128 . 18 1 1 A 13 13 THR CA C 13 60.052 59.975 0.077 1
1 129 . 18 1 1 A 13 13 THR CB C 13 70.842 70.865 -0.023 1
1 131 . 18 1 1 A 13 13 THR N N 13 119.687 119.837 -0.150 1
1 132 . 18 1 1 A 14 14 GLU H H 14 8.969 9.033 -0.064 1
1 133 . 18 1 1 A 14 14 GLU HA H 14 4.024 3.976 0.048 1
1 138 . 18 1 1 A 14 14 GLU CA C 14 59.794 60.070 -0.276 1
1 139 . 18 1 1 A 14 14 GLU CB C 14 28.845 29.379 -0.534 1
1 141 . 18 1 1 A 14 14 GLU N N 14 123.290 123.075 0.215 1
1 142 . 18 1 1 A 15 15 ALA H H 15 8.334 7.838 0.496 1
1 143 . 18 1 1 A 15 15 ALA HA H 15 4.151 4.138 0.013 1
1 147 . 18 1 1 A 15 15 ALA CA C 15 55.076 55.166 -0.090 1
1 148 . 18 1 1 A 15 15 ALA CB C 15 18.008 18.517 -0.509 1
1 149 . 18 1 1 A 15 15 ALA N N 15 121.958 122.155 -0.197 1
1 150 . 18 1 1 A 16 16 LEU H H 16 7.765 8.074 -0.309 1
1 151 . 18 1 1 A 16 16 LEU HA H 16 4.240 4.241 -0.001 1
1 161 . 18 1 1 A 16 16 LEU CA C 16 57.674 57.689 -0.015 1
1 162 . 18 1 1 A 16 16 LEU CB C 16 42.122 41.939 0.183 1
1 166 . 18 1 1 A 16 16 LEU N N 16 123.064 119.848 3.216 1
1 167 . 18 1 1 A 17 17 ARG H H 17 8.627 8.358 0.269 1
1 168 . 18 1 1 A 17 17 ARG HA H 17 3.595 4.097 -0.502 1
1 175 . 18 1 1 A 17 17 ARG CA C 17 60.573 59.034 1.539 1
1 176 . 18 1 1 A 17 17 ARG CB C 17 29.679 29.944 -0.265 1
1 179 . 18 1 1 A 17 17 ARG N N 17 121.878 117.881 3.997 1
1 180 . 18 1 1 A 18 18 GLU H H 18 8.665 8.528 0.137 1
1 181 . 18 1 1 A 18 18 GLU HA H 18 3.952 4.125 -0.173 1
1 186 . 18 1 1 A 18 18 GLU CA C 18 59.654 59.298 0.356 1
1 187 . 18 1 1 A 18 18 GLU CB C 18 29.301 29.215 0.086 1
1 189 . 18 1 1 A 18 18 GLU N N 18 123.257 118.631 4.626 1
1 190 . 18 1 1 A 19 19 PHE H H 19 8.026 8.536 -0.510 1
1 191 . 18 1 1 A 19 19 PHE HA H 19 4.258 4.124 0.134 1
1 195 . 18 1 1 A 19 19 PHE CA C 19 61.640 61.273 0.367 1
1 196 . 18 1 1 A 19 19 PHE CB C 19 39.547 39.395 0.152 1
1 198 . 18 1 1 A 19 19 PHE N N 19 123.888 121.908 1.980 1
1 199 . 18 1 1 A 20 20 VAL H H 20 8.734 8.197 0.537 1
1 200 . 18 1 1 A 20 20 VAL HA H 20 3.336 3.690 -0.354 1
1 208 . 18 1 1 A 20 20 VAL CA C 20 67.245 66.626 0.619 1
1 209 . 18 1 1 A 20 20 VAL CB C 20 31.965 31.867 0.098 1
1 212 . 18 1 1 A 20 20 VAL N N 20 119.762 118.868 0.894 1
1 213 . 18 1 1 A 21 21 THR H H 21 8.213 8.258 -0.045 1
1 214 . 18 1 1 A 21 21 THR HA H 21 3.615 3.854 -0.239 1
1 218 . 18 1 1 A 21 21 THR CA C 21 67.657 66.442 1.215 1
1 219 . 18 1 1 A 21 21 THR CB C 21 68.697 68.466 0.231 1
1 221 . 18 1 1 A 21 21 THR N N 21 117.446 115.626 1.820 1
1 222 . 18 1 1 A 22 22 ALA H H 22 8.050 8.783 -0.733 1
1 223 . 18 1 1 A 22 22 ALA HA H 22 4.084 3.915 0.169 1
1 227 . 18 1 1 A 22 22 ALA CA C 22 54.998 55.493 -0.495 1
1 228 . 18 1 1 A 22 22 ALA CB C 22 17.880 18.291 -0.411 1
1 229 . 18 1 1 A 22 22 ALA N N 22 125.291 123.197 2.094 1
1 230 . 18 1 1 A 23 23 LYS H H 23 7.868 7.700 0.168 1
1 231 . 18 1 1 A 23 23 LYS HA H 23 3.886 3.904 -0.018 1
1 240 . 18 1 1 A 23 23 LYS CA C 23 57.286 59.047 -1.761 1
1 241 . 18 1 1 A 23 23 LYS CB C 23 30.651 32.245 -1.594 1
1 245 . 18 1 1 A 23 23 LYS N N 23 119.332 117.590 1.742 1
1 246 . 18 1 1 A 24 24 PHE H H 24 8.369 8.316 0.053 1
1 247 . 18 1 1 A 24 24 PHE HA H 24 3.805 4.426 -0.621 1
1 252 . 18 1 1 A 24 24 PHE CA C 24 62.055 60.121 1.934 1
1 253 . 18 1 1 A 24 24 PHE CB C 24 38.744 38.407 0.337 1
1 256 . 18 1 1 A 24 24 PHE N N 24 119.142 118.310 0.832 1
1 257 . 18 1 1 A 25 25 ALA H H 25 7.879 8.283 -0.404 1
1 258 . 18 1 1 A 25 25 ALA HA H 25 4.140 4.114 0.026 1
1 262 . 18 1 1 A 25 25 ALA CA C 25 55.014 55.394 -0.380 1
1 263 . 18 1 1 A 25 25 ALA CB C 25 17.773 18.164 -0.391 1
1 264 . 18 1 1 A 25 25 ALA N N 25 123.500 121.845 1.655 1
1 265 . 18 1 1 A 26 26 LYS H H 26 7.217 7.397 -0.180 1
1 266 . 18 1 1 A 26 26 LYS HA H 26 4.024 3.861 0.163 1
1 275 . 18 1 1 A 26 26 LYS CA C 26 58.189 58.985 -0.796 1
1 276 . 18 1 1 A 26 26 LYS CB C 26 32.033 32.024 0.009 1
1 280 . 18 1 1 A 26 26 LYS N N 26 118.541 118.406 0.135 1
1 281 . 18 1 1 A 27 27 LEU H H 27 7.773 7.627 0.146 1
1 282 . 18 1 1 A 27 27 LEU HA H 27 4.257 3.637 0.620 1
1 292 . 18 1 1 A 27 27 LEU CA C 27 55.889 55.917 -0.028 1
1 293 . 18 1 1 A 27 27 LEU CB C 27 41.083 41.772 -0.689 1
1 297 . 18 1 1 A 27 27 LEU N N 27 118.340 118.921 -0.581 1
1 298 . 18 1 1 A 28 28 GLU H H 28 7.296 8.238 -0.942 1
1 299 . 18 1 1 A 28 28 GLU HA H 28 3.489 4.473 -0.984 1
1 304 . 18 1 1 A 28 28 GLU CA C 28 58.336 58.820 -0.484 1
1 305 . 18 1 1 A 28 28 GLU CB C 28 29.265 29.418 -0.153 1
1 307 . 18 1 1 A 28 28 GLU N N 28 119.557 119.683 -0.126 1
1 308 . 18 1 1 A 29 29 GLN H H 29 7.783 7.674 0.109 1
1 309 . 18 1 1 A 29 29 GLN HA H 29 3.923 4.007 -0.084 1
1 314 . 18 1 1 A 29 29 GLN CA C 29 57.387 58.236 -0.849 1
1 315 . 18 1 1 A 29 29 GLN CB C 29 28.082 28.604 -0.522 1
1 317 . 18 1 1 A 29 29 GLN N N 29 117.927 120.100 -2.173 1
1 318 . 18 1 1 A 30 30 TYR H H 30 7.731 7.071 0.660 1
1 319 . 18 1 1 A 30 30 TYR HA H 30 4.433 4.715 -0.282 1
1 324 . 18 1 1 A 30 30 TYR CA C 30 58.371 57.701 0.670 1
1 325 . 18 1 1 A 30 30 TYR CB C 30 39.297 39.419 -0.122 1
1 328 . 18 1 1 A 30 30 TYR N N 30 118.639 115.444 3.195 1
1 329 . 18 1 1 A 31 31 PHE H H 31 7.652 7.580 0.072 1
1 330 . 18 1 1 A 31 31 PHE HA H 31 4.605 5.028 -0.423 1
1 334 . 18 1 1 A 31 31 PHE CA C 31 58.507 56.512 1.995 1
1 335 . 18 1 1 A 31 31 PHE CB C 31 40.438 40.969 -0.531 1
1 337 . 18 1 1 A 31 31 PHE N N 31 119.753 120.113 -0.360 1
1 338 . 18 1 1 A 32 32 ASP H H 32 8.087 9.092 -1.005 1
1 339 . 18 1 1 A 32 32 ASP HA H 32 4.465 4.866 -0.401 1
1 342 . 18 1 1 A 32 32 ASP CA C 32 55.094 55.135 -0.041 1
1 343 . 18 1 1 A 32 32 ASP CB C 32 40.511 42.827 -2.316 1
1 344 . 18 1 1 A 32 32 ASP N N 32 121.865 125.507 -3.642 1
1 345 . 18 1 1 A 33 33 ARG H H 33 7.083 7.808 -0.725 1
1 346 . 18 1 1 A 33 33 ARG HA H 33 4.412 4.506 -0.094 1
1 353 . 18 1 1 A 33 33 ARG CA C 33 55.082 55.633 -0.551 1
1 354 . 18 1 1 A 33 33 ARG CB C 33 30.409 28.814 1.595 1
1 357 . 18 1 1 A 33 33 ARG N N 33 119.603 117.034 2.569 1
1 358 . 18 1 1 A 34 34 ILE H H 34 8.139 8.078 0.061 1
1 359 . 18 1 1 A 34 34 ILE HA H 34 4.051 4.807 -0.756 1
1 369 . 18 1 1 A 34 34 ILE CA C 34 61.543 60.735 0.808 1
1 370 . 18 1 1 A 34 34 ILE CB C 34 39.510 41.311 -1.801 1
1 374 . 18 1 1 A 34 34 ILE N N 34 123.576 124.318 -0.742 1
1 375 . 18 1 1 A 35 35 ASN H H 35 8.560 8.857 -0.297 1
1 376 . 18 1 1 A 35 35 ASN HA H 35 4.870 4.914 -0.044 1
1 379 . 18 1 1 A 35 35 ASN CA C 35 53.877 54.213 -0.336 1
1 380 . 18 1 1 A 35 35 ASN CB C 35 38.806 39.400 -0.594 1
1 381 . 18 1 1 A 35 35 ASN N N 35 126.934 121.725 5.209 1
1 382 . 18 1 1 A 36 36 GLN H H 36 7.843 7.918 -0.075 1
1 383 . 18 1 1 A 36 36 GLN HA H 36 4.519 5.323 -0.804 1
1 388 . 18 1 1 A 36 36 GLN CA C 36 56.345 54.280 2.065 1
1 389 . 18 1 1 A 36 36 GLN CB C 36 31.240 31.079 0.161 1
1 391 . 18 1 1 A 36 36 GLN N N 36 120.673 118.089 2.584 1
1 392 . 18 1 1 A 37 37 VAL H H 37 8.330 8.897 -0.567 1
1 393 . 18 1 1 A 37 37 VAL HA H 37 4.693 4.829 -0.136 1
1 401 . 18 1 1 A 37 37 VAL CA C 37 60.789 61.191 -0.402 1
1 402 . 18 1 1 A 37 37 VAL CB C 37 34.740 34.777 -0.037 1
1 405 . 18 1 1 A 37 37 VAL N N 37 123.403 126.248 -2.845 1
1 406 . 18 1 1 A 38 38 TYR H H 38 8.943 8.039 0.904 1
1 407 . 18 1 1 A 38 38 TYR HA H 38 5.039 6.149 -1.110 1
1 412 . 18 1 1 A 38 38 TYR CA C 38 57.028 55.283 1.745 1
1 413 . 18 1 1 A 38 38 TYR CB C 38 39.705 42.412 -2.707 1
1 416 . 18 1 1 A 38 38 TYR N N 38 129.202 123.145 6.057 1
1 417 . 18 1 1 A 39 39 VAL H H 39 9.053 8.440 0.613 1
1 418 . 18 1 1 A 39 39 VAL HA H 39 5.048 5.024 0.024 1
1 426 . 18 1 1 A 39 39 VAL CA C 39 60.685 60.528 0.157 1
1 427 . 18 1 1 A 39 39 VAL CB C 39 34.107 35.559 -1.452 1
1 430 . 18 1 1 A 39 39 VAL N N 39 127.771 121.944 5.827 1
1 431 . 18 1 1 A 40 40 VAL H H 40 9.276 8.898 0.378 1
1 432 . 18 1 1 A 40 40 VAL HA H 40 4.862 4.941 -0.079 1
1 440 . 18 1 1 A 40 40 VAL CA C 40 60.896 60.793 0.103 1
1 441 . 18 1 1 A 40 40 VAL CB C 40 34.411 35.785 -1.374 1
1 444 . 18 1 1 A 40 40 VAL N N 40 130.939 126.231 4.708 1
1 445 . 18 1 1 A 41 41 LEU H H 41 8.714 8.817 -0.103 1
1 446 . 18 1 1 A 41 41 LEU HA H 41 5.111 5.567 -0.456 1
1 456 . 18 1 1 A 41 41 LEU CA C 41 53.150 53.017 0.133 1
1 457 . 18 1 1 A 41 41 LEU CB C 41 42.538 45.195 -2.657 1
1 461 . 18 1 1 A 41 41 LEU N N 41 130.200 124.794 5.406 1
1 462 . 18 1 1 A 42 42 LYS H H 42 8.955 9.812 -0.857 1
1 463 . 18 1 1 A 42 42 LYS HA H 42 5.180 5.501 -0.321 1
1 472 . 18 1 1 A 42 42 LYS CA C 42 55.017 54.763 0.254 1
1 473 . 18 1 1 A 42 42 LYS CB C 42 36.649 34.232 2.417 1
1 477 . 18 1 1 A 42 42 LYS N N 42 124.155 123.093 1.062 1
1 478 . 18 1 1 A 43 43 VAL H H 43 7.515 8.629 -1.114 1
1 479 . 18 1 1 A 43 43 VAL HA H 43 4.360 4.355 0.005 1
1 487 . 18 1 1 A 43 43 VAL CA C 43 61.230 61.130 0.100 1
1 488 . 18 1 1 A 43 43 VAL CB C 43 33.656 33.104 0.552 1
1 491 . 18 1 1 A 43 43 VAL N N 43 124.332 125.308 -0.976 1
1 492 . 18 1 1 A 44 44 GLU H H 44 8.092 8.192 -0.100 1
1 493 . 18 1 1 A 44 44 GLU HA H 44 4.368 4.728 -0.360 1
1 498 . 18 1 1 A 44 44 GLU CA C 44 55.445 54.281 1.164 1
1 499 . 18 1 1 A 44 44 GLU CB C 44 31.404 32.926 -1.522 1
1 501 . 18 1 1 A 44 44 GLU N N 44 130.594 127.096 3.498 1
1 502 . 18 1 1 A 45 45 LYS H H 45 8.982 8.668 0.314 1
1 503 . 18 1 1 A 45 45 LYS HA H 45 3.695 3.921 -0.226 1
1 512 . 18 1 1 A 45 45 LYS CA C 45 59.588 58.942 0.646 1
1 513 . 18 1 1 A 45 45 LYS CB C 45 30.077 32.063 -1.986 1
1 517 . 18 1 1 A 45 45 LYS N N 45 125.587 121.085 4.502 1
1 518 . 18 1 1 A 46 46 VAL H H 46 7.710 7.427 0.283 1
1 519 . 18 1 1 A 46 46 VAL HA H 46 4.346 4.003 0.343 1
1 527 . 18 1 1 A 46 46 VAL CA C 46 61.342 64.569 -3.227 1
1 528 . 18 1 1 A 46 46 VAL CB C 46 31.917 31.913 0.004 1
1 531 . 18 1 1 A 46 46 VAL N N 46 115.763 118.238 -2.475 1
1 532 . 18 1 1 A 47 47 THR H H 47 8.151 7.450 0.701 1
1 533 . 18 1 1 A 47 47 THR HA H 47 4.397 5.292 -0.895 1
1 538 . 18 1 1 A 47 47 THR CA C 47 63.072 61.119 1.953 1
1 539 . 18 1 1 A 47 47 THR CB C 47 69.615 72.045 -2.430 1
1 541 . 18 1 1 A 47 47 THR N N 47 120.888 111.853 9.035 1
1 542 . 18 1 1 A 48 48 HIS H H 48 8.753 8.702 0.051 1
1 543 . 18 1 1 A 48 48 HIS HA H 48 4.826 5.331 -0.505 1
1 547 . 18 1 1 A 48 48 HIS CA C 48 55.978 55.020 0.958 1
1 548 . 18 1 1 A 48 48 HIS CB C 48 30.476 30.684 -0.208 1
1 550 . 18 1 1 A 48 48 HIS N N 48 130.755 123.178 7.577 1
1 551 . 18 1 1 A 49 49 THR H H 49 9.136 8.512 0.624 1
1 552 . 18 1 1 A 49 49 THR HA H 49 5.245 5.071 0.174 1
1 557 . 18 1 1 A 49 49 THR CA C 49 60.941 61.205 -0.264 1
1 558 . 18 1 1 A 49 49 THR CB C 49 71.411 71.774 -0.363 1
1 560 . 18 1 1 A 49 49 THR N N 49 118.522 118.092 0.430 1
1 561 . 18 1 1 A 50 50 SER H H 50 9.050 9.173 -0.123 1
1 562 . 18 1 1 A 50 50 SER HA H 50 5.348 5.618 -0.270 1
1 565 . 18 1 1 A 50 50 SER CA C 50 55.645 56.891 -1.246 1
1 566 . 18 1 1 A 50 50 SER CB C 50 66.579 66.598 -0.019 1
1 567 . 18 1 1 A 50 50 SER N N 50 119.749 119.243 0.506 1
1 568 . 18 1 1 A 51 51 ASP H H 51 8.843 9.382 -0.539 1
1 569 . 18 1 1 A 51 51 ASP HA H 51 5.363 5.711 -0.348 1
1 572 . 18 1 1 A 51 51 ASP CA C 51 52.879 52.213 0.666 1
1 573 . 18 1 1 A 51 51 ASP CB C 51 45.173 45.049 0.124 1
1 574 . 18 1 1 A 51 51 ASP N N 51 126.330 121.208 5.122 1
1 575 . 18 1 1 A 52 52 ALA H H 52 8.938 9.143 -0.205 1
1 576 . 18 1 1 A 52 52 ALA HA H 52 5.777 5.083 0.694 1
1 580 . 18 1 1 A 52 52 ALA CA C 52 50.806 51.447 -0.641 1
1 581 . 18 1 1 A 52 52 ALA CB C 52 24.676 21.068 3.608 1
1 582 . 18 1 1 A 52 52 ALA N N 52 122.789 122.159 0.630 1
1 583 . 18 1 1 A 53 53 THR H H 53 8.666 8.624 0.042 1
1 584 . 18 1 1 A 53 53 THR HA H 53 4.979 4.652 0.327 1
1 589 . 18 1 1 A 53 53 THR CA C 53 62.026 61.293 0.733 1
1 590 . 18 1 1 A 53 53 THR CB C 53 70.850 68.663 2.187 1
1 592 . 18 1 1 A 53 53 THR N N 53 118.344 118.230 0.114 1
1 593 . 18 1 1 A 54 54 LEU H H 54 9.662 8.726 0.936 1
1 594 . 18 1 1 A 54 54 LEU HA H 54 4.921 4.967 -0.046 1
1 604 . 18 1 1 A 54 54 LEU CA C 54 53.923 53.877 0.046 1
1 605 . 18 1 1 A 54 54 LEU CB C 54 43.782 43.963 -0.181 1
1 609 . 18 1 1 A 54 54 LEU N N 54 129.166 127.428 1.738 1
1 610 . 18 1 1 A 55 55 HIS H H 55 8.956 9.122 -0.166 1
1 611 . 18 1 1 A 55 55 HIS HA H 55 4.882 5.241 -0.359 1
1 615 . 18 1 1 A 55 55 HIS CA C 55 56.326 55.010 1.316 1
1 616 . 18 1 1 A 55 55 HIS CB C 55 30.431 31.270 -0.839 1
1 618 . 18 1 1 A 55 55 HIS N N 55 126.094 121.965 4.129 1
1 619 . 18 1 1 A 56 56 VAL H H 56 8.151 8.966 -0.815 1
1 620 . 18 1 1 A 56 56 VAL HA H 56 4.856 4.549 0.307 1
1 628 . 18 1 1 A 56 56 VAL CA C 56 58.734 59.960 -1.226 1
1 629 . 18 1 1 A 56 56 VAL CB C 56 34.523 33.010 1.513 1
1 632 . 18 1 1 A 56 56 VAL N N 56 120.242 123.222 -2.980 1
1 633 . 18 1 1 A 57 57 ASN H H 57 8.970 8.859 0.111 1
1 634 . 18 1 1 A 57 57 ASN HA H 57 4.463 4.456 0.007 1
1 637 . 18 1 1 A 57 57 ASN CA C 57 54.963 56.490 -1.527 1
1 638 . 18 1 1 A 57 57 ASN CB C 57 37.481 38.231 -0.750 1
1 639 . 18 1 1 A 57 57 ASN N N 57 124.652 122.516 2.136 1
1 640 . 18 1 1 A 58 58 GLY H H 58 8.868 8.051 0.817 1
1 641 . 18 1 1 A 58 58 GLY HA2 H 58 3.814 3.976 -0.162 1
1 642 . 18 1 1 A 58 58 GLY HA3 H 58 4.152 3.978 0.174 1
1 643 . 18 1 1 A 58 58 GLY CA C 58 45.606 45.502 0.104 1
1 644 . 18 1 1 A 58 58 GLY N N 58 112.816 106.938 5.878 1
1 645 . 18 1 1 A 59 59 GLY H H 59 7.848 7.562 0.286 1
1 646 . 18 1 1 A 59 59 GLY HA2 H 59 3.978 3.973 0.005 1
1 647 . 18 1 1 A 59 59 GLY HA3 H 59 4.153 3.980 0.173 1
1 648 . 18 1 1 A 59 59 GLY CA C 59 45.321 45.659 -0.338 1
1 649 . 18 1 1 A 59 59 GLY N N 59 109.857 108.019 1.838 1
1 650 . 18 1 1 A 60 60 GLU H H 60 8.262 8.715 -0.453 1
1 651 . 18 1 1 A 60 60 GLU HA H 60 5.110 4.952 0.158 1
1 656 . 18 1 1 A 60 60 GLU CA C 60 54.756 54.895 -0.139 1
1 657 . 18 1 1 A 60 60 GLU CB C 60 32.933 33.102 -0.169 1
1 659 . 18 1 1 A 60 60 GLU N N 60 121.732 119.962 1.770 1
1 660 . 18 1 1 A 61 61 ILE H H 61 8.764 8.629 0.135 1
1 661 . 18 1 1 A 61 61 ILE HA H 61 4.286 4.796 -0.510 1
1 671 . 18 1 1 A 61 61 ILE CA C 61 59.713 60.150 -0.437 1
1 672 . 18 1 1 A 61 61 ILE CB C 61 41.194 39.601 1.593 1
1 676 . 18 1 1 A 61 61 ILE N N 61 124.817 124.302 0.515 1
1 677 . 18 1 1 A 62 62 HIS H H 62 8.907 8.867 0.040 1
1 678 . 18 1 1 A 62 62 HIS HA H 62 5.743 5.199 0.544 1
1 682 . 18 1 1 A 62 62 HIS CA C 62 54.009 53.563 0.446 1
1 683 . 18 1 1 A 62 62 HIS CB C 62 32.365 33.096 -0.731 1
1 685 . 18 1 1 A 62 62 HIS N N 62 127.338 126.871 0.467 1
1 686 . 18 1 1 A 63 63 ALA H H 63 8.298 9.130 -0.832 1
1 687 . 18 1 1 A 63 63 ALA HA H 63 4.480 5.424 -0.944 1
1 691 . 18 1 1 A 63 63 ALA CA C 63 51.764 50.131 1.633 1
1 692 . 18 1 1 A 63 63 ALA CB C 63 23.678 23.159 0.519 1
1 693 . 18 1 1 A 63 63 ALA N N 63 125.511 130.421 -4.910 1
1 694 . 18 1 1 A 64 64 SER H H 64 8.070 8.924 -0.854 1
1 695 . 18 1 1 A 64 64 SER HA H 64 5.286 5.477 -0.191 1
1 698 . 18 1 1 A 64 64 SER CA C 64 56.782 56.928 -0.146 1
1 699 . 18 1 1 A 64 64 SER CB C 64 65.895 65.841 0.054 1
1 700 . 18 1 1 A 64 64 SER N N 64 114.469 113.713 0.756 1
1 701 . 18 1 1 A 65 65 ALA H H 65 8.904 9.105 -0.201 1
1 702 . 18 1 1 A 65 65 ALA HA H 65 4.669 5.339 -0.670 1
1 706 . 18 1 1 A 65 65 ALA CA C 65 51.753 50.067 1.686 1
1 707 . 18 1 1 A 65 65 ALA CB C 65 22.599 22.907 -0.308 1
1 708 . 18 1 1 A 65 65 ALA N N 65 126.977 126.223 0.754 1
1 709 . 18 1 1 A 66 66 GLU H H 66 8.200 9.115 -0.915 1
1 710 . 18 1 1 A 66 66 GLU HA H 66 5.680 5.276 0.404 1
1 715 . 18 1 1 A 66 66 GLU CA C 66 53.650 54.510 -0.860 1
1 716 . 18 1 1 A 66 66 GLU CB C 66 33.741 34.042 -0.301 1
1 718 . 18 1 1 A 66 66 GLU N N 66 119.267 117.163 2.104 1
1 719 . 18 1 1 A 67 67 GLY H H 67 8.836 8.252 0.584 1
1 720 . 18 1 1 A 67 67 GLY HA2 H 67 4.490 4.309 0.181 1
1 721 . 18 1 1 A 67 67 GLY HA3 H 67 3.728 4.312 -0.584 1
1 722 . 18 1 1 A 67 67 GLY CA C 67 45.157 45.197 -0.040 1
1 723 . 18 1 1 A 67 67 GLY N N 67 108.048 106.627 1.421 1
1 724 . 18 1 1 A 68 68 GLN H H 68 8.997 8.710 0.287 1
1 725 . 18 1 1 A 68 68 GLN HA H 68 4.440 4.034 0.406 1
1 730 . 18 1 1 A 68 68 GLN CA C 68 56.996 57.963 -0.967 1
1 731 . 18 1 1 A 68 68 GLN CB C 68 28.694 28.830 -0.136 1
1 733 . 18 1 1 A 68 68 GLN N N 68 119.961 119.701 0.260 1
1 734 . 18 1 1 A 69 69 ASP H H 69 7.542 7.437 0.105 1
1 735 . 18 1 1 A 69 69 ASP HA H 69 3.242 3.570 -0.328 1
1 738 . 18 1 1 A 69 69 ASP CA C 69 51.838 52.287 -0.449 1
1 739 . 18 1 1 A 69 69 ASP CB C 69 42.829 42.285 0.544 1
1 740 . 18 1 1 A 69 69 ASP N N 69 115.279 113.901 1.378 1
1 741 . 18 1 1 A 70 70 MET H H 70 8.409 8.615 -0.206 1
1 742 . 18 1 1 A 70 70 MET HA H 70 4.200 4.258 -0.058 1
1 747 . 18 1 1 A 70 70 MET CA C 70 56.505 58.982 -2.477 1
1 748 . 18 1 1 A 70 70 MET CB C 70 31.533 31.822 -0.289 1
1 750 . 18 1 1 A 70 70 MET N N 70 120.495 118.457 2.038 1
1 751 . 18 1 1 A 71 71 TYR H H 71 7.304 7.754 -0.450 1
1 752 . 18 1 1 A 71 71 TYR HA H 71 3.832 4.306 -0.474 1
1 757 . 18 1 1 A 71 71 TYR CA C 71 60.141 60.875 -0.734 1
1 758 . 18 1 1 A 71 71 TYR CB C 71 35.788 37.209 -1.421 1
1 761 . 18 1 1 A 71 71 TYR N N 71 120.024 118.399 1.625 1
1 762 . 18 1 1 A 72 72 ALA H H 72 8.474 8.297 0.177 1
1 763 . 18 1 1 A 72 72 ALA HA H 72 4.213 3.992 0.221 1
1 767 . 18 1 1 A 72 72 ALA CA C 72 54.526 55.218 -0.692 1
1 768 . 18 1 1 A 72 72 ALA CB C 72 18.884 18.197 0.687 1
1 769 . 18 1 1 A 72 72 ALA N N 72 123.384 122.718 0.666 1
1 770 . 18 1 1 A 73 73 ALA H H 73 7.595 8.176 -0.581 1
1 771 . 18 1 1 A 73 73 ALA HA H 73 3.731 4.165 -0.434 1
1 775 . 18 1 1 A 73 73 ALA CA C 73 55.647 54.579 1.068 1
1 776 . 18 1 1 A 73 73 ALA CB C 73 17.460 18.532 -1.072 1
1 777 . 18 1 1 A 73 73 ALA N N 73 123.415 119.841 3.574 1
1 778 . 18 1 1 A 74 74 ILE H H 74 7.958 7.562 0.396 1
1 779 . 18 1 1 A 74 74 ILE HA H 74 3.692 3.867 -0.175 1
1 789 . 18 1 1 A 74 74 ILE CA C 74 63.902 64.798 -0.896 1
1 790 . 18 1 1 A 74 74 ILE CB C 74 37.010 36.948 0.062 1
1 794 . 18 1 1 A 74 74 ILE N N 74 119.834 119.006 0.828 1
1 795 . 18 1 1 A 75 75 ASP H H 75 8.468 8.425 0.043 1
1 796 . 18 1 1 A 75 75 ASP HA H 75 4.282 4.363 -0.081 1
1 799 . 18 1 1 A 75 75 ASP CA C 75 58.107 57.372 0.735 1
1 800 . 18 1 1 A 75 75 ASP CB C 75 40.628 40.789 -0.161 1
1 801 . 18 1 1 A 75 75 ASP N N 75 122.091 122.155 -0.064 1
1 802 . 18 1 1 A 76 76 GLY H H 76 8.041 8.208 -0.167 1
1 803 . 18 1 1 A 76 76 GLY HA2 H 76 3.845 3.711 0.134 1
1 804 . 18 1 1 A 76 76 GLY HA3 H 76 3.863 3.713 0.150 1
1 805 . 18 1 1 A 76 76 GLY CA C 76 46.668 47.394 -0.726 1
1 806 . 18 1 1 A 76 76 GLY N N 76 108.081 108.032 0.049 1
1 807 . 18 1 1 A 77 77 LEU H H 77 8.088 7.933 0.155 1
1 808 . 18 1 1 A 77 77 LEU HA H 77 3.709 4.257 -0.548 1
1 818 . 18 1 1 A 77 77 LEU CA C 77 57.865 57.169 0.696 1
1 819 . 18 1 1 A 77 77 LEU CB C 77 41.828 41.438 0.390 1
1 823 . 18 1 1 A 77 77 LEU N N 77 126.711 122.951 3.760 1
1 824 . 18 1 1 A 78 78 ILE H H 78 8.155 7.969 0.186 1
1 825 . 18 1 1 A 78 78 ILE HA H 78 3.316 3.984 -0.668 1
1 835 . 18 1 1 A 78 78 ILE CA C 78 62.813 62.962 -0.149 1
1 836 . 18 1 1 A 78 78 ILE CB C 78 34.810 37.827 -3.017 1
1 840 . 18 1 1 A 78 78 ILE N N 78 120.409 118.554 1.855 1
1 841 . 18 1 1 A 79 79 ASP H H 79 7.408 7.815 -0.407 1
1 842 . 18 1 1 A 79 79 ASP HA H 79 4.274 4.396 -0.122 1
1 845 . 18 1 1 A 79 79 ASP CA C 79 57.605 57.156 0.449 1
1 846 . 18 1 1 A 79 79 ASP CB C 79 41.017 41.222 -0.205 1
1 847 . 18 1 1 A 79 79 ASP N N 79 120.497 122.093 -1.596 1
1 848 . 18 1 1 A 80 80 LYS H H 80 7.536 7.678 -0.142 1
1 849 . 18 1 1 A 80 80 LYS HA H 80 3.931 4.166 -0.235 1
1 858 . 18 1 1 A 80 80 LYS CA C 80 59.952 58.795 1.157 1
1 859 . 18 1 1 A 80 80 LYS CB C 80 33.221 31.933 1.288 1
1 863 . 18 1 1 A 80 80 LYS N N 80 119.684 119.912 -0.228 1
1 864 . 18 1 1 A 81 81 LEU H H 81 8.473 7.733 0.740 1
1 865 . 18 1 1 A 81 81 LEU HA H 81 3.765 3.993 -0.228 1
1 875 . 18 1 1 A 81 81 LEU CA C 81 57.564 57.732 -0.168 1
1 876 . 18 1 1 A 81 81 LEU CB C 81 42.473 41.940 0.533 1
1 880 . 18 1 1 A 81 81 LEU N N 81 121.519 120.082 1.437 1
1 881 . 18 1 1 A 82 82 ALA H H 82 8.682 8.192 0.490 1
1 882 . 18 1 1 A 82 82 ALA HA H 82 3.479 4.304 -0.825 1
1 886 . 18 1 1 A 82 82 ALA CA C 82 55.731 55.969 -0.238 1
1 887 . 18 1 1 A 82 82 ALA CB C 82 17.388 18.379 -0.991 1
1 888 . 18 1 1 A 82 82 ALA N N 82 123.814 121.027 2.787 1
1 889 . 18 1 1 A 83 83 ARG H H 83 7.329 7.980 -0.651 1
1 890 . 18 1 1 A 83 83 ARG HA H 83 3.981 4.112 -0.131 1
1 897 . 18 1 1 A 83 83 ARG CA C 83 59.137 59.678 -0.541 1
1 898 . 18 1 1 A 83 83 ARG CB C 83 29.971 30.119 -0.148 1
1 901 . 18 1 1 A 83 83 ARG N N 83 118.219 117.743 0.476 1
1 902 . 18 1 1 A 84 84 GLN H H 84 7.750 7.596 0.154 1
1 903 . 18 1 1 A 84 84 GLN HA H 84 4.047 4.155 -0.108 1
1 906 . 18 1 1 A 84 84 GLN CA C 84 58.685 58.467 0.218 1
1 907 . 18 1 1 A 84 84 GLN CB C 84 29.903 28.419 1.484 1
1 909 . 18 1 1 A 84 84 GLN N N 84 119.887 119.417 0.470 1
1 910 . 18 1 1 A 85 85 LEU H H 85 8.610 8.576 0.034 1
1 911 . 18 1 1 A 85 85 LEU HA H 85 3.788 4.088 -0.300 1
1 920 . 18 1 1 A 85 85 LEU CA C 85 57.600 57.795 -0.195 1
1 921 . 18 1 1 A 85 85 LEU CB C 85 41.178 41.187 -0.009 1
1 925 . 18 1 1 A 85 85 LEU N N 85 122.951 119.861 3.090 1
1 926 . 18 1 1 A 86 86 THR H H 86 7.709 8.476 -0.767 1
1 927 . 18 1 1 A 86 86 THR HA H 86 4.056 3.956 0.100 1
1 932 . 18 1 1 A 86 86 THR CA C 86 65.924 67.145 -1.221 1
1 933 . 18 1 1 A 86 86 THR CB C 86 68.870 68.038 0.832 1
1 935 . 18 1 1 A 86 86 THR N N 86 116.282 116.367 -0.085 1
1 936 . 18 1 1 A 87 87 LYS H H 87 7.457 8.038 -0.581 1
1 937 . 18 1 1 A 87 87 LYS HA H 87 4.102 4.040 0.062 1
1 946 . 18 1 1 A 87 87 LYS CA C 87 58.289 59.590 -1.301 1
1 947 . 18 1 1 A 87 87 LYS CB C 87 32.293 32.698 -0.405 1
1 951 . 18 1 1 A 87 87 LYS N N 87 122.670 121.098 1.572 1
1 952 . 18 1 1 A 88 88 HIS H H 88 7.928 8.192 -0.264 1
1 953 . 18 1 1 A 88 88 HIS HA H 88 4.301 4.276 0.025 1
1 957 . 18 1 1 A 88 88 HIS CA C 88 58.361 58.767 -0.406 1
1 958 . 18 1 1 A 88 88 HIS CB C 88 30.766 28.560 2.206 1
1 960 . 18 1 1 A 88 88 HIS N N 88 121.382 117.520 3.862 1
1 961 . 18 1 1 A 89 89 LYS H H 89 7.928 7.515 0.413 1
1 962 . 18 1 1 A 89 89 LYS HA H 89 3.934 3.716 0.218 1
1 971 . 18 1 1 A 89 89 LYS CA C 89 58.568 58.213 0.355 1
1 972 . 18 1 1 A 89 89 LYS CB C 89 32.489 32.158 0.331 1
1 976 . 18 1 1 A 89 89 LYS N N 89 121.821 121.096 0.725 1
1 977 . 18 1 1 A 90 90 ASP H H 90 8.143 7.926 0.217 1
1 978 . 18 1 1 A 90 90 ASP HA H 90 4.445 4.363 0.082 1
1 981 . 18 1 1 A 90 90 ASP CA C 90 55.869 56.609 -0.740 1
1 982 . 18 1 1 A 90 90 ASP CB C 90 40.715 40.568 0.147 1
1 983 . 18 1 1 A 90 90 ASP N N 90 121.199 119.119 2.080 1
1 984 . 18 1 1 A 91 91 LYS H H 91 7.867 7.842 0.025 1
1 985 . 18 1 1 A 91 91 LYS HA H 91 4.130 4.116 0.014 1
1 994 . 18 1 1 A 91 91 LYS CA C 91 57.421 59.445 -2.024 1
1 995 . 18 1 1 A 91 91 LYS CB C 91 32.365 32.552 -0.187 1
1 999 . 18 1 1 A 91 91 LYS N N 91 121.976 118.445 3.531 1
1 1000 . 18 1 1 A 92 92 LEU H H 92 7.709 7.764 -0.055 1
1 1001 . 18 1 1 A 92 92 LEU HA H 92 4.171 4.408 -0.237 1
1 1011 . 18 1 1 A 92 92 LEU CA C 92 55.449 54.511 0.938 1
1 1012 . 18 1 1 A 92 92 LEU CB C 92 41.871 41.456 0.415 1
1 1016 . 18 1 1 A 92 92 LEU N N 92 121.802 117.132 4.670 1
1 1017 . 18 1 1 A 93 93 LYS H H 93 7.751 7.554 0.197 1
1 1018 . 18 1 1 A 93 93 LYS HA H 93 4.197 4.343 -0.146 1
1 1027 . 18 1 1 A 93 93 LYS CA C 93 56.420 54.968 1.452 1
1 1028 . 18 1 1 A 93 93 LYS CB C 93 32.792 33.652 -0.860 1
1 1032 . 18 1 1 A 93 93 LYS N N 93 121.954 119.875 2.079 1
1 1033 . 18 1 1 A 94 94 GLN H H 94 8.129 7.796 0.333 1
1 1034 . 18 1 1 A 94 94 GLN HA H 94 4.208 4.201 0.007 1
1 1039 . 18 1 1 A 94 94 GLN CA C 94 55.891 58.406 -2.515 1
1 1040 . 18 1 1 A 94 94 GLN CB C 94 29.236 29.111 0.125 1
1 1042 . 18 1 1 A 94 94 GLN N N 94 123.165 119.582 3.583 1
1 1 . 19 1 1 A 2 2 GLN H H 2 7.809 8.044 -0.235 1
1 2 . 19 1 1 A 2 2 GLN HA H 2 4.394 4.858 -0.464 1
1 7 . 19 1 1 A 2 2 GLN CA C 2 55.124 56.942 -1.818 1
1 8 . 19 1 1 A 2 2 GLN CB C 2 30.385 29.997 0.388 1
1 10 . 19 1 1 A 2 2 GLN N N 2 126.586 116.711 9.875 1
1 11 . 19 1 1 A 3 3 LEU H H 3 8.598 7.836 0.762 1
1 12 . 19 1 1 A 3 3 LEU HA H 3 4.380 5.231 -0.851 1
1 22 . 19 1 1 A 3 3 LEU CA C 3 54.590 52.577 2.013 1
1 23 . 19 1 1 A 3 3 LEU CB C 3 43.701 45.526 -1.825 1
1 27 . 19 1 1 A 3 3 LEU N N 3 128.942 115.698 13.244 1
1 28 . 19 1 1 A 4 4 ASN H H 4 8.227 9.095 -0.868 1
1 29 . 19 1 1 A 4 4 ASN HA H 4 4.864 5.325 -0.461 1
1 32 . 19 1 1 A 4 4 ASN CA C 4 52.628 51.822 0.806 1
1 33 . 19 1 1 A 4 4 ASN CB C 4 41.258 42.395 -1.137 1
1 34 . 19 1 1 A 4 4 ASN N N 4 127.137 118.869 8.268 1
1 35 . 19 1 1 A 5 5 ILE H H 5 8.659 8.769 -0.110 1
1 36 . 19 1 1 A 5 5 ILE HA H 5 4.901 4.925 -0.024 1
1 46 . 19 1 1 A 5 5 ILE CA C 5 60.288 59.984 0.304 1
1 47 . 19 1 1 A 5 5 ILE CB C 5 40.902 39.849 1.053 1
1 51 . 19 1 1 A 5 5 ILE N N 5 126.355 124.516 1.839 1
1 52 . 19 1 1 A 6 6 THR H H 6 8.796 8.714 0.082 1
1 53 . 19 1 1 A 6 6 THR HA H 6 4.654 4.903 -0.249 1
1 58 . 19 1 1 A 6 6 THR CA C 6 60.751 61.191 -0.440 1
1 59 . 19 1 1 A 6 6 THR CB C 6 71.993 71.471 0.522 1
1 61 . 19 1 1 A 6 6 THR N N 6 123.546 122.036 1.510 1
1 62 . 19 1 1 A 7 7 GLY H H 7 8.833 9.105 -0.272 1
1 63 . 19 1 1 A 7 7 GLY HA2 H 7 3.764 4.274 -0.510 1
1 64 . 19 1 1 A 7 7 GLY HA3 H 7 5.071 4.281 0.790 1
1 65 . 19 1 1 A 7 7 GLY CA C 7 44.318 43.904 0.414 1
1 66 . 19 1 1 A 7 7 GLY N N 7 112.240 114.262 -2.022 1
1 67 . 19 1 1 A 8 8 ASN H H 8 8.962 8.058 0.904 1
1 68 . 19 1 1 A 8 8 ASN HA H 8 4.828 5.428 -0.600 1
1 71 . 19 1 1 A 8 8 ASN CA C 8 52.799 51.568 1.231 1
1 72 . 19 1 1 A 8 8 ASN CB C 8 39.244 40.154 -0.910 1
1 73 . 19 1 1 A 8 8 ASN N N 8 124.384 116.062 8.322 1
1 74 . 19 1 1 A 9 9 ASN H H 9 8.756 9.057 -0.301 1
1 75 . 19 1 1 A 9 9 ASN HA H 9 4.248 4.300 -0.052 1
1 78 . 19 1 1 A 9 9 ASN CA C 9 53.998 54.163 -0.165 1
1 79 . 19 1 1 A 9 9 ASN CB C 9 37.231 37.486 -0.255 1
1 80 . 19 1 1 A 9 9 ASN N N 9 120.082 118.165 1.917 1
1 81 . 19 1 1 A 10 10 VAL H H 10 6.825 7.333 -0.508 1
1 82 . 19 1 1 A 10 10 VAL HA H 10 4.097 4.851 -0.754 1
1 90 . 19 1 1 A 10 10 VAL CA C 10 60.425 59.300 1.125 1
1 91 . 19 1 1 A 10 10 VAL CB C 10 34.765 35.700 -0.935 1
1 94 . 19 1 1 A 10 10 VAL N N 10 115.342 112.902 2.440 1
1 95 . 19 1 1 A 11 11 GLU H H 11 8.347 8.564 -0.217 1
1 96 . 19 1 1 A 11 11 GLU HA H 11 4.174 4.617 -0.443 1
1 101 . 19 1 1 A 11 11 GLU CA C 11 55.442 55.881 -0.439 1
1 102 . 19 1 1 A 11 11 GLU CB C 11 30.114 30.067 0.047 1
1 104 . 19 1 1 A 11 11 GLU N N 11 129.115 123.816 5.299 1
1 105 . 19 1 1 A 12 12 ILE H H 12 8.942 8.697 0.245 1
1 106 . 19 1 1 A 12 12 ILE HA H 12 4.034 4.380 -0.346 1
1 116 . 19 1 1 A 12 12 ILE CA C 12 58.894 61.060 -2.166 1
1 117 . 19 1 1 A 12 12 ILE CB C 12 33.240 37.260 -4.020 1
1 121 . 19 1 1 A 12 12 ILE N N 12 128.622 126.540 2.082 1
1 122 . 19 1 1 A 13 13 THR H H 13 6.818 8.284 -1.466 1
1 123 . 19 1 1 A 13 13 THR HA H 13 4.429 4.859 -0.430 1
1 128 . 19 1 1 A 13 13 THR CA C 13 60.052 59.496 0.556 1
1 129 . 19 1 1 A 13 13 THR CB C 13 70.842 71.800 -0.958 1
1 131 . 19 1 1 A 13 13 THR N N 13 119.687 118.811 0.876 1
1 132 . 19 1 1 A 14 14 GLU H H 14 8.969 9.182 -0.213 1
1 133 . 19 1 1 A 14 14 GLU HA H 14 4.024 4.015 0.009 1
1 138 . 19 1 1 A 14 14 GLU CA C 14 59.794 60.210 -0.416 1
1 139 . 19 1 1 A 14 14 GLU CB C 14 28.845 29.551 -0.706 1
1 141 . 19 1 1 A 14 14 GLU N N 14 123.290 121.982 1.308 1
1 142 . 19 1 1 A 15 15 ALA H H 15 8.334 7.863 0.471 1
1 143 . 19 1 1 A 15 15 ALA HA H 15 4.151 4.307 -0.156 1
1 147 . 19 1 1 A 15 15 ALA CA C 15 55.076 55.377 -0.301 1
1 148 . 19 1 1 A 15 15 ALA CB C 15 18.008 18.331 -0.323 1
1 149 . 19 1 1 A 15 15 ALA N N 15 121.958 121.948 0.010 1
1 150 . 19 1 1 A 16 16 LEU H H 16 7.765 8.152 -0.387 1
1 151 . 19 1 1 A 16 16 LEU HA H 16 4.240 4.689 -0.449 1
1 161 . 19 1 1 A 16 16 LEU CA C 16 57.674 58.233 -0.559 1
1 162 . 19 1 1 A 16 16 LEU CB C 16 42.122 41.873 0.249 1
1 166 . 19 1 1 A 16 16 LEU N N 16 123.064 119.942 3.122 1
1 167 . 19 1 1 A 17 17 ARG H H 17 8.627 8.556 0.071 1
1 168 . 19 1 1 A 17 17 ARG HA H 17 3.595 3.917 -0.322 1
1 175 . 19 1 1 A 17 17 ARG CA C 17 60.573 59.040 1.533 1
1 176 . 19 1 1 A 17 17 ARG CB C 17 29.679 29.947 -0.268 1
1 179 . 19 1 1 A 17 17 ARG N N 17 121.878 118.258 3.620 1
1 180 . 19 1 1 A 18 18 GLU H H 18 8.665 8.641 0.024 1
1 181 . 19 1 1 A 18 18 GLU HA H 18 3.952 4.052 -0.100 1
1 186 . 19 1 1 A 18 18 GLU CA C 18 59.654 59.207 0.447 1
1 187 . 19 1 1 A 18 18 GLU CB C 18 29.301 29.445 -0.144 1
1 189 . 19 1 1 A 18 18 GLU N N 18 123.257 119.577 3.680 1
1 190 . 19 1 1 A 19 19 PHE H H 19 8.026 8.764 -0.738 1
1 191 . 19 1 1 A 19 19 PHE HA H 19 4.258 4.247 0.011 1
1 195 . 19 1 1 A 19 19 PHE CA C 19 61.640 60.557 1.083 1
1 196 . 19 1 1 A 19 19 PHE CB C 19 39.547 38.425 1.122 1
1 198 . 19 1 1 A 19 19 PHE N N 19 123.888 119.069 4.819 1
1 199 . 19 1 1 A 20 20 VAL H H 20 8.734 7.029 1.705 1
1 200 . 19 1 1 A 20 20 VAL HA H 20 3.336 3.250 0.086 1
1 208 . 19 1 1 A 20 20 VAL CA C 20 67.245 66.178 1.067 1
1 209 . 19 1 1 A 20 20 VAL CB C 20 31.965 31.258 0.707 1
1 212 . 19 1 1 A 20 20 VAL N N 20 119.762 119.488 0.274 1
1 213 . 19 1 1 A 21 21 THR H H 21 8.213 7.965 0.248 1
1 214 . 19 1 1 A 21 21 THR HA H 21 3.615 3.969 -0.354 1
1 218 . 19 1 1 A 21 21 THR CA C 21 67.657 66.316 1.341 1
1 219 . 19 1 1 A 21 21 THR CB C 21 68.697 68.528 0.169 1
1 221 . 19 1 1 A 21 21 THR N N 21 117.446 115.760 1.686 1
1 222 . 19 1 1 A 22 22 ALA H H 22 8.050 8.739 -0.689 1
1 223 . 19 1 1 A 22 22 ALA HA H 22 4.084 4.032 0.052 1
1 227 . 19 1 1 A 22 22 ALA CA C 22 54.998 55.657 -0.659 1
1 228 . 19 1 1 A 22 22 ALA CB C 22 17.880 18.745 -0.865 1
1 229 . 19 1 1 A 22 22 ALA N N 22 125.291 123.420 1.871 1
1 230 . 19 1 1 A 23 23 LYS H H 23 7.868 7.815 0.053 1
1 231 . 19 1 1 A 23 23 LYS HA H 23 3.886 4.012 -0.126 1
1 240 . 19 1 1 A 23 23 LYS CA C 23 57.286 58.985 -1.699 1
1 241 . 19 1 1 A 23 23 LYS CB C 23 30.651 32.445 -1.794 1
1 245 . 19 1 1 A 23 23 LYS N N 23 119.332 117.517 1.815 1
1 246 . 19 1 1 A 24 24 PHE H H 24 8.369 8.107 0.262 1
1 247 . 19 1 1 A 24 24 PHE HA H 24 3.805 4.530 -0.725 1
1 252 . 19 1 1 A 24 24 PHE CA C 24 62.055 60.242 1.813 1
1 253 . 19 1 1 A 24 24 PHE CB C 24 38.744 38.581 0.163 1
1 256 . 19 1 1 A 24 24 PHE N N 24 119.142 119.175 -0.033 1
1 257 . 19 1 1 A 25 25 ALA H H 25 7.879 8.552 -0.673 1
1 258 . 19 1 1 A 25 25 ALA HA H 25 4.140 4.139 0.001 1
1 262 . 19 1 1 A 25 25 ALA CA C 25 55.014 55.414 -0.400 1
1 263 . 19 1 1 A 25 25 ALA CB C 25 17.773 18.181 -0.408 1
1 264 . 19 1 1 A 25 25 ALA N N 25 123.500 121.754 1.746 1
1 265 . 19 1 1 A 26 26 LYS H H 26 7.217 7.691 -0.474 1
1 266 . 19 1 1 A 26 26 LYS HA H 26 4.024 3.847 0.177 1
1 275 . 19 1 1 A 26 26 LYS CA C 26 58.189 59.162 -0.973 1
1 276 . 19 1 1 A 26 26 LYS CB C 26 32.033 32.212 -0.179 1
1 280 . 19 1 1 A 26 26 LYS N N 26 118.541 118.571 -0.030 1
1 281 . 19 1 1 A 27 27 LEU H H 27 7.773 7.816 -0.043 1
1 282 . 19 1 1 A 27 27 LEU HA H 27 4.257 3.533 0.724 1
1 292 . 19 1 1 A 27 27 LEU CA C 27 55.889 56.291 -0.402 1
1 293 . 19 1 1 A 27 27 LEU CB C 27 41.083 41.843 -0.760 1
1 297 . 19 1 1 A 27 27 LEU N N 27 118.340 119.375 -1.035 1
1 298 . 19 1 1 A 28 28 GLU H H 28 7.296 8.310 -1.014 1
1 299 . 19 1 1 A 28 28 GLU HA H 28 3.489 4.422 -0.933 1
1 304 . 19 1 1 A 28 28 GLU CA C 28 58.336 58.702 -0.366 1
1 305 . 19 1 1 A 28 28 GLU CB C 28 29.265 29.724 -0.459 1
1 307 . 19 1 1 A 28 28 GLU N N 28 119.557 119.759 -0.202 1
1 308 . 19 1 1 A 29 29 GLN H H 29 7.783 7.648 0.135 1
1 309 . 19 1 1 A 29 29 GLN HA H 29 3.923 3.984 -0.061 1
1 314 . 19 1 1 A 29 29 GLN CA C 29 57.387 58.326 -0.939 1
1 315 . 19 1 1 A 29 29 GLN CB C 29 28.082 28.610 -0.528 1
1 317 . 19 1 1 A 29 29 GLN N N 29 117.927 119.378 -1.451 1
1 318 . 19 1 1 A 30 30 TYR H H 30 7.731 6.955 0.776 1
1 319 . 19 1 1 A 30 30 TYR HA H 30 4.433 4.478 -0.045 1
1 324 . 19 1 1 A 30 30 TYR CA C 30 58.371 57.831 0.540 1
1 325 . 19 1 1 A 30 30 TYR CB C 30 39.297 38.657 0.640 1
1 328 . 19 1 1 A 30 30 TYR N N 30 118.639 117.950 0.689 1
1 329 . 19 1 1 A 31 31 PHE H H 31 7.652 7.338 0.314 1
1 330 . 19 1 1 A 31 31 PHE HA H 31 4.605 5.125 -0.520 1
1 334 . 19 1 1 A 31 31 PHE CA C 31 58.507 56.338 2.169 1
1 335 . 19 1 1 A 31 31 PHE CB C 31 40.438 41.235 -0.797 1
1 337 . 19 1 1 A 31 31 PHE N N 31 119.753 119.855 -0.102 1
1 338 . 19 1 1 A 32 32 ASP H H 32 8.087 8.810 -0.723 1
1 339 . 19 1 1 A 32 32 ASP HA H 32 4.465 4.981 -0.516 1
1 342 . 19 1 1 A 32 32 ASP CA C 32 55.094 54.840 0.254 1
1 343 . 19 1 1 A 32 32 ASP CB C 32 40.511 42.450 -1.939 1
1 344 . 19 1 1 A 32 32 ASP N N 32 121.865 123.740 -1.875 1
1 345 . 19 1 1 A 33 33 ARG H H 33 7.083 7.776 -0.693 1
1 346 . 19 1 1 A 33 33 ARG HA H 33 4.412 4.479 -0.067 1
1 353 . 19 1 1 A 33 33 ARG CA C 33 55.082 55.496 -0.414 1
1 354 . 19 1 1 A 33 33 ARG CB C 33 30.409 28.875 1.534 1
1 357 . 19 1 1 A 33 33 ARG N N 33 119.603 117.071 2.532 1
1 358 . 19 1 1 A 34 34 ILE H H 34 8.139 7.916 0.223 1
1 359 . 19 1 1 A 34 34 ILE HA H 34 4.051 4.826 -0.775 1
1 369 . 19 1 1 A 34 34 ILE CA C 34 61.543 60.745 0.798 1
1 370 . 19 1 1 A 34 34 ILE CB C 34 39.510 41.381 -1.871 1
1 374 . 19 1 1 A 34 34 ILE N N 34 123.576 124.242 -0.666 1
1 375 . 19 1 1 A 35 35 ASN H H 35 8.560 8.709 -0.149 1
1 376 . 19 1 1 A 35 35 ASN HA H 35 4.870 4.931 -0.061 1
1 379 . 19 1 1 A 35 35 ASN CA C 35 53.877 54.115 -0.238 1
1 380 . 19 1 1 A 35 35 ASN CB C 35 38.806 39.599 -0.793 1
1 381 . 19 1 1 A 35 35 ASN N N 35 126.934 120.803 6.131 1
1 382 . 19 1 1 A 36 36 GLN H H 36 7.843 7.851 -0.008 1
1 383 . 19 1 1 A 36 36 GLN HA H 36 4.519 5.331 -0.812 1
1 388 . 19 1 1 A 36 36 GLN CA C 36 56.345 54.269 2.076 1
1 389 . 19 1 1 A 36 36 GLN CB C 36 31.240 31.070 0.170 1
1 391 . 19 1 1 A 36 36 GLN N N 36 120.673 118.165 2.508 1
1 392 . 19 1 1 A 37 37 VAL H H 37 8.330 9.062 -0.732 1
1 393 . 19 1 1 A 37 37 VAL HA H 37 4.693 4.815 -0.122 1
1 401 . 19 1 1 A 37 37 VAL CA C 37 60.789 61.221 -0.432 1
1 402 . 19 1 1 A 37 37 VAL CB C 37 34.740 34.677 0.063 1
1 405 . 19 1 1 A 37 37 VAL N N 37 123.403 126.747 -3.344 1
1 406 . 19 1 1 A 38 38 TYR H H 38 8.943 8.035 0.908 1
1 407 . 19 1 1 A 38 38 TYR HA H 38 5.039 5.949 -0.910 1
1 412 . 19 1 1 A 38 38 TYR CA C 38 57.028 55.246 1.782 1
1 413 . 19 1 1 A 38 38 TYR CB C 38 39.705 42.361 -2.656 1
1 416 . 19 1 1 A 38 38 TYR N N 38 129.202 123.147 6.055 1
1 417 . 19 1 1 A 39 39 VAL H H 39 9.053 8.370 0.683 1
1 418 . 19 1 1 A 39 39 VAL HA H 39 5.048 5.070 -0.022 1
1 426 . 19 1 1 A 39 39 VAL CA C 39 60.685 60.514 0.171 1
1 427 . 19 1 1 A 39 39 VAL CB C 39 34.107 35.515 -1.408 1
1 430 . 19 1 1 A 39 39 VAL N N 39 127.771 121.877 5.894 1
1 431 . 19 1 1 A 40 40 VAL H H 40 9.276 8.928 0.348 1
1 432 . 19 1 1 A 40 40 VAL HA H 40 4.862 5.305 -0.443 1
1 440 . 19 1 1 A 40 40 VAL CA C 40 60.896 60.788 0.108 1
1 441 . 19 1 1 A 40 40 VAL CB C 40 34.411 35.874 -1.463 1
1 444 . 19 1 1 A 40 40 VAL N N 40 130.939 126.210 4.729 1
1 445 . 19 1 1 A 41 41 LEU H H 41 8.714 8.801 -0.087 1
1 446 . 19 1 1 A 41 41 LEU HA H 41 5.111 5.626 -0.515 1
1 456 . 19 1 1 A 41 41 LEU CA C 41 53.150 52.946 0.204 1
1 457 . 19 1 1 A 41 41 LEU CB C 41 42.538 45.280 -2.742 1
1 461 . 19 1 1 A 41 41 LEU N N 41 130.200 125.000 5.200 1
1 462 . 19 1 1 A 42 42 LYS H H 42 8.955 9.848 -0.893 1
1 463 . 19 1 1 A 42 42 LYS HA H 42 5.180 5.527 -0.347 1
1 472 . 19 1 1 A 42 42 LYS CA C 42 55.017 54.702 0.315 1
1 473 . 19 1 1 A 42 42 LYS CB C 42 36.649 34.641 2.008 1
1 477 . 19 1 1 A 42 42 LYS N N 42 124.155 122.987 1.168 1
1 478 . 19 1 1 A 43 43 VAL H H 43 7.515 8.610 -1.095 1
1 479 . 19 1 1 A 43 43 VAL HA H 43 4.360 4.360 0.000 1
1 487 . 19 1 1 A 43 43 VAL CA C 43 61.230 61.052 0.178 1
1 488 . 19 1 1 A 43 43 VAL CB C 43 33.656 33.550 0.106 1
1 491 . 19 1 1 A 43 43 VAL N N 43 124.332 125.017 -0.685 1
1 492 . 19 1 1 A 44 44 GLU H H 44 8.092 8.179 -0.087 1
1 493 . 19 1 1 A 44 44 GLU HA H 44 4.368 4.737 -0.369 1
1 498 . 19 1 1 A 44 44 GLU CA C 44 55.445 54.347 1.098 1
1 499 . 19 1 1 A 44 44 GLU CB C 44 31.404 33.056 -1.652 1
1 501 . 19 1 1 A 44 44 GLU N N 44 130.594 126.991 3.603 1
1 502 . 19 1 1 A 45 45 LYS H H 45 8.982 8.797 0.185 1
1 503 . 19 1 1 A 45 45 LYS HA H 45 3.695 3.932 -0.237 1
1 512 . 19 1 1 A 45 45 LYS CA C 45 59.588 58.954 0.634 1
1 513 . 19 1 1 A 45 45 LYS CB C 45 30.077 32.071 -1.994 1
1 517 . 19 1 1 A 45 45 LYS N N 45 125.587 121.098 4.489 1
1 518 . 19 1 1 A 46 46 VAL H H 46 7.710 7.435 0.275 1
1 519 . 19 1 1 A 46 46 VAL HA H 46 4.346 4.011 0.335 1
1 527 . 19 1 1 A 46 46 VAL CA C 46 61.342 64.491 -3.149 1
1 528 . 19 1 1 A 46 46 VAL CB C 46 31.917 31.926 -0.009 1
1 531 . 19 1 1 A 46 46 VAL N N 46 115.763 118.141 -2.378 1
1 532 . 19 1 1 A 47 47 THR H H 47 8.151 7.805 0.346 1
1 533 . 19 1 1 A 47 47 THR HA H 47 4.397 5.295 -0.898 1
1 538 . 19 1 1 A 47 47 THR CA C 47 63.072 61.334 1.738 1
1 539 . 19 1 1 A 47 47 THR CB C 47 69.615 72.297 -2.682 1
1 541 . 19 1 1 A 47 47 THR N N 47 120.888 111.885 9.003 1
1 542 . 19 1 1 A 48 48 HIS H H 48 8.753 8.719 0.034 1
1 543 . 19 1 1 A 48 48 HIS HA H 48 4.826 5.187 -0.361 1
1 547 . 19 1 1 A 48 48 HIS CA C 48 55.978 55.076 0.902 1
1 548 . 19 1 1 A 48 48 HIS CB C 48 30.476 31.100 -0.624 1
1 550 . 19 1 1 A 48 48 HIS N N 48 130.755 123.227 7.528 1
1 551 . 19 1 1 A 49 49 THR H H 49 9.136 8.455 0.681 1
1 552 . 19 1 1 A 49 49 THR HA H 49 5.245 5.048 0.197 1
1 557 . 19 1 1 A 49 49 THR CA C 49 60.941 61.239 -0.298 1
1 558 . 19 1 1 A 49 49 THR CB C 49 71.411 70.945 0.466 1
1 560 . 19 1 1 A 49 49 THR N N 49 118.522 117.744 0.778 1
1 561 . 19 1 1 A 50 50 SER H H 50 9.050 9.304 -0.254 1
1 562 . 19 1 1 A 50 50 SER HA H 50 5.348 5.634 -0.286 1
1 565 . 19 1 1 A 50 50 SER CA C 50 55.645 56.647 -1.002 1
1 566 . 19 1 1 A 50 50 SER CB C 50 66.579 66.078 0.501 1
1 567 . 19 1 1 A 50 50 SER N N 50 119.749 121.037 -1.288 1
1 568 . 19 1 1 A 51 51 ASP H H 51 8.843 9.496 -0.653 1
1 569 . 19 1 1 A 51 51 ASP HA H 51 5.363 5.679 -0.316 1
1 572 . 19 1 1 A 51 51 ASP CA C 51 52.879 52.322 0.557 1
1 573 . 19 1 1 A 51 51 ASP CB C 51 45.173 44.590 0.583 1
1 574 . 19 1 1 A 51 51 ASP N N 51 126.330 121.338 4.992 1
1 575 . 19 1 1 A 52 52 ALA H H 52 8.938 9.416 -0.478 1
1 576 . 19 1 1 A 52 52 ALA HA H 52 5.777 5.266 0.511 1
1 580 . 19 1 1 A 52 52 ALA CA C 52 50.806 50.593 0.213 1
1 581 . 19 1 1 A 52 52 ALA CB C 52 24.676 22.378 2.298 1
1 582 . 19 1 1 A 52 52 ALA N N 52 122.789 122.208 0.581 1
1 583 . 19 1 1 A 53 53 THR H H 53 8.666 8.177 0.489 1
1 584 . 19 1 1 A 53 53 THR HA H 53 4.979 4.956 0.023 1
1 589 . 19 1 1 A 53 53 THR CA C 53 62.026 61.236 0.790 1
1 590 . 19 1 1 A 53 53 THR CB C 53 70.850 70.288 0.562 1
1 592 . 19 1 1 A 53 53 THR N N 53 118.344 115.779 2.565 1
1 593 . 19 1 1 A 54 54 LEU H H 54 9.662 8.841 0.821 1
1 594 . 19 1 1 A 54 54 LEU HA H 54 4.921 5.038 -0.117 1
1 604 . 19 1 1 A 54 54 LEU CA C 54 53.923 53.851 0.072 1
1 605 . 19 1 1 A 54 54 LEU CB C 54 43.782 44.467 -0.685 1
1 609 . 19 1 1 A 54 54 LEU N N 54 129.166 127.541 1.625 1
1 610 . 19 1 1 A 55 55 HIS H H 55 8.956 9.084 -0.128 1
1 611 . 19 1 1 A 55 55 HIS HA H 55 4.882 5.140 -0.258 1
1 615 . 19 1 1 A 55 55 HIS CA C 55 56.326 55.034 1.292 1
1 616 . 19 1 1 A 55 55 HIS CB C 55 30.431 31.456 -1.025 1
1 618 . 19 1 1 A 55 55 HIS N N 55 126.094 121.877 4.217 1
1 619 . 19 1 1 A 56 56 VAL H H 56 8.151 8.917 -0.766 1
1 620 . 19 1 1 A 56 56 VAL HA H 56 4.856 4.588 0.268 1
1 628 . 19 1 1 A 56 56 VAL CA C 56 58.734 59.832 -1.098 1
1 629 . 19 1 1 A 56 56 VAL CB C 56 34.523 35.435 -0.912 1
1 632 . 19 1 1 A 56 56 VAL N N 56 120.242 121.694 -1.452 1
1 633 . 19 1 1 A 57 57 ASN H H 57 8.970 8.863 0.107 1
1 634 . 19 1 1 A 57 57 ASN HA H 57 4.463 4.387 0.076 1
1 637 . 19 1 1 A 57 57 ASN CA C 57 54.963 54.954 0.009 1
1 638 . 19 1 1 A 57 57 ASN CB C 57 37.481 37.687 -0.206 1
1 639 . 19 1 1 A 57 57 ASN N N 57 124.652 124.363 0.289 1
1 640 . 19 1 1 A 58 58 GLY H H 58 8.868 8.686 0.182 1
1 641 . 19 1 1 A 58 58 GLY HA2 H 58 3.814 4.026 -0.212 1
1 642 . 19 1 1 A 58 58 GLY HA3 H 58 4.152 4.027 0.125 1
1 643 . 19 1 1 A 58 58 GLY CA C 58 45.606 44.980 0.626 1
1 644 . 19 1 1 A 58 58 GLY N N 58 112.816 111.855 0.961 1
1 645 . 19 1 1 A 59 59 GLY H H 59 7.848 7.568 0.280 1
1 646 . 19 1 1 A 59 59 GLY HA2 H 59 3.978 3.959 0.019 1
1 647 . 19 1 1 A 59 59 GLY HA3 H 59 4.153 3.996 0.157 1
1 648 . 19 1 1 A 59 59 GLY CA C 59 45.321 45.108 0.213 1
1 649 . 19 1 1 A 59 59 GLY N N 59 109.857 107.436 2.421 1
1 650 . 19 1 1 A 60 60 GLU H H 60 8.262 8.583 -0.321 1
1 651 . 19 1 1 A 60 60 GLU HA H 60 5.110 4.915 0.195 1
1 656 . 19 1 1 A 60 60 GLU CA C 60 54.756 54.614 0.142 1
1 657 . 19 1 1 A 60 60 GLU CB C 60 32.933 33.471 -0.538 1
1 659 . 19 1 1 A 60 60 GLU N N 60 121.732 120.436 1.296 1
1 660 . 19 1 1 A 61 61 ILE H H 61 8.764 8.641 0.123 1
1 661 . 19 1 1 A 61 61 ILE HA H 61 4.286 4.814 -0.528 1
1 671 . 19 1 1 A 61 61 ILE CA C 61 59.713 60.287 -0.574 1
1 672 . 19 1 1 A 61 61 ILE CB C 61 41.194 39.521 1.673 1
1 676 . 19 1 1 A 61 61 ILE N N 61 124.817 123.912 0.905 1
1 677 . 19 1 1 A 62 62 HIS H H 62 8.907 8.873 0.034 1
1 678 . 19 1 1 A 62 62 HIS HA H 62 5.743 5.260 0.483 1
1 682 . 19 1 1 A 62 62 HIS CA C 62 54.009 53.604 0.405 1
1 683 . 19 1 1 A 62 62 HIS CB C 62 32.365 33.114 -0.749 1
1 685 . 19 1 1 A 62 62 HIS N N 62 127.338 126.958 0.380 1
1 686 . 19 1 1 A 63 63 ALA H H 63 8.298 9.444 -1.146 1
1 687 . 19 1 1 A 63 63 ALA HA H 63 4.480 5.351 -0.871 1
1 691 . 19 1 1 A 63 63 ALA CA C 63 51.764 50.466 1.298 1
1 692 . 19 1 1 A 63 63 ALA CB C 63 23.678 23.545 0.133 1
1 693 . 19 1 1 A 63 63 ALA N N 63 125.511 130.259 -4.748 1
1 694 . 19 1 1 A 64 64 SER H H 64 8.070 8.781 -0.711 1
1 695 . 19 1 1 A 64 64 SER HA H 64 5.286 5.307 -0.021 1
1 698 . 19 1 1 A 64 64 SER CA C 64 56.782 56.822 -0.040 1
1 699 . 19 1 1 A 64 64 SER CB C 64 65.895 65.444 0.451 1
1 700 . 19 1 1 A 64 64 SER N N 64 114.469 115.177 -0.708 1
1 701 . 19 1 1 A 65 65 ALA H H 65 8.904 9.341 -0.437 1
1 702 . 19 1 1 A 65 65 ALA HA H 65 4.669 5.355 -0.686 1
1 706 . 19 1 1 A 65 65 ALA CA C 65 51.753 49.916 1.837 1
1 707 . 19 1 1 A 65 65 ALA CB C 65 22.599 22.681 -0.082 1
1 708 . 19 1 1 A 65 65 ALA N N 65 126.977 130.183 -3.206 1
1 709 . 19 1 1 A 66 66 GLU H H 66 8.200 9.033 -0.833 1
1 710 . 19 1 1 A 66 66 GLU HA H 66 5.680 5.293 0.387 1
1 715 . 19 1 1 A 66 66 GLU CA C 66 53.650 54.562 -0.912 1
1 716 . 19 1 1 A 66 66 GLU CB C 66 33.741 34.054 -0.313 1
1 718 . 19 1 1 A 66 66 GLU N N 66 119.267 117.520 1.747 1
1 719 . 19 1 1 A 67 67 GLY H H 67 8.836 8.148 0.688 1
1 720 . 19 1 1 A 67 67 GLY HA2 H 67 4.490 4.243 0.247 1
1 721 . 19 1 1 A 67 67 GLY HA3 H 67 3.728 4.245 -0.517 1
1 722 . 19 1 1 A 67 67 GLY CA C 67 45.157 45.189 -0.032 1
1 723 . 19 1 1 A 67 67 GLY N N 67 108.048 106.767 1.281 1
1 724 . 19 1 1 A 68 68 GLN H H 68 8.997 8.715 0.282 1
1 725 . 19 1 1 A 68 68 GLN HA H 68 4.440 4.006 0.434 1
1 730 . 19 1 1 A 68 68 GLN CA C 68 56.996 57.704 -0.708 1
1 731 . 19 1 1 A 68 68 GLN CB C 68 28.694 29.139 -0.445 1
1 733 . 19 1 1 A 68 68 GLN N N 68 119.961 119.520 0.441 1
1 734 . 19 1 1 A 69 69 ASP H H 69 7.542 7.372 0.170 1
1 735 . 19 1 1 A 69 69 ASP HA H 69 3.242 3.944 -0.702 1
1 738 . 19 1 1 A 69 69 ASP CA C 69 51.838 52.609 -0.771 1
1 739 . 19 1 1 A 69 69 ASP CB C 69 42.829 42.212 0.617 1
1 740 . 19 1 1 A 69 69 ASP N N 69 115.279 114.423 0.856 1
1 741 . 19 1 1 A 70 70 MET H H 70 8.409 8.783 -0.374 1
1 742 . 19 1 1 A 70 70 MET HA H 70 4.200 4.273 -0.073 1
1 747 . 19 1 1 A 70 70 MET CA C 70 56.505 59.005 -2.500 1
1 748 . 19 1 1 A 70 70 MET CB C 70 31.533 31.992 -0.459 1
1 750 . 19 1 1 A 70 70 MET N N 70 120.495 118.554 1.941 1
1 751 . 19 1 1 A 71 71 TYR H H 71 7.304 7.927 -0.623 1
1 752 . 19 1 1 A 71 71 TYR HA H 71 3.832 4.176 -0.344 1
1 757 . 19 1 1 A 71 71 TYR CA C 71 60.141 60.675 -0.534 1
1 758 . 19 1 1 A 71 71 TYR CB C 71 35.788 37.362 -1.574 1
1 761 . 19 1 1 A 71 71 TYR N N 71 120.024 118.549 1.475 1
1 762 . 19 1 1 A 72 72 ALA H H 72 8.474 8.676 -0.202 1
1 763 . 19 1 1 A 72 72 ALA HA H 72 4.213 3.974 0.239 1
1 767 . 19 1 1 A 72 72 ALA CA C 72 54.526 55.211 -0.685 1
1 768 . 19 1 1 A 72 72 ALA CB C 72 18.884 18.239 0.645 1
1 769 . 19 1 1 A 72 72 ALA N N 72 123.384 122.386 0.998 1
1 770 . 19 1 1 A 73 73 ALA H H 73 7.595 8.340 -0.745 1
1 771 . 19 1 1 A 73 73 ALA HA H 73 3.731 4.182 -0.451 1
1 775 . 19 1 1 A 73 73 ALA CA C 73 55.647 54.452 1.195 1
1 776 . 19 1 1 A 73 73 ALA CB C 73 17.460 18.647 -1.187 1
1 777 . 19 1 1 A 73 73 ALA N N 73 123.415 120.074 3.341 1
1 778 . 19 1 1 A 74 74 ILE H H 74 7.958 7.616 0.342 1
1 779 . 19 1 1 A 74 74 ILE HA H 74 3.692 3.848 -0.156 1
1 789 . 19 1 1 A 74 74 ILE CA C 74 63.902 64.876 -0.974 1
1 790 . 19 1 1 A 74 74 ILE CB C 74 37.010 36.855 0.155 1
1 794 . 19 1 1 A 74 74 ILE N N 74 119.834 119.149 0.685 1
1 795 . 19 1 1 A 75 75 ASP H H 75 8.468 8.504 -0.036 1
1 796 . 19 1 1 A 75 75 ASP HA H 75 4.282 4.372 -0.090 1
1 799 . 19 1 1 A 75 75 ASP CA C 75 58.107 57.512 0.595 1
1 800 . 19 1 1 A 75 75 ASP CB C 75 40.628 40.593 0.035 1
1 801 . 19 1 1 A 75 75 ASP N N 75 122.091 121.634 0.457 1
1 802 . 19 1 1 A 76 76 GLY H H 76 8.041 8.063 -0.022 1
1 803 . 19 1 1 A 76 76 GLY HA2 H 76 3.845 3.748 0.097 1
1 804 . 19 1 1 A 76 76 GLY HA3 H 76 3.863 3.752 0.111 1
1 805 . 19 1 1 A 76 76 GLY CA C 76 46.668 46.965 -0.297 1
1 806 . 19 1 1 A 76 76 GLY N N 76 108.081 108.256 -0.175 1
1 807 . 19 1 1 A 77 77 LEU H H 77 8.088 7.876 0.212 1
1 808 . 19 1 1 A 77 77 LEU HA H 77 3.709 4.221 -0.512 1
1 818 . 19 1 1 A 77 77 LEU CA C 77 57.865 57.355 0.510 1
1 819 . 19 1 1 A 77 77 LEU CB C 77 41.828 41.742 0.086 1
1 823 . 19 1 1 A 77 77 LEU N N 77 126.711 123.262 3.449 1
1 824 . 19 1 1 A 78 78 ILE H H 78 8.155 8.359 -0.204 1
1 825 . 19 1 1 A 78 78 ILE HA H 78 3.316 3.808 -0.492 1
1 835 . 19 1 1 A 78 78 ILE CA C 78 62.813 62.823 -0.010 1
1 836 . 19 1 1 A 78 78 ILE CB C 78 34.810 37.708 -2.898 1
1 840 . 19 1 1 A 78 78 ILE N N 78 120.409 119.264 1.145 1
1 841 . 19 1 1 A 79 79 ASP H H 79 7.408 7.801 -0.393 1
1 842 . 19 1 1 A 79 79 ASP HA H 79 4.274 4.460 -0.186 1
1 845 . 19 1 1 A 79 79 ASP CA C 79 57.605 56.396 1.209 1
1 846 . 19 1 1 A 79 79 ASP CB C 79 41.017 40.899 0.118 1
1 847 . 19 1 1 A 79 79 ASP N N 79 120.497 122.014 -1.517 1
1 848 . 19 1 1 A 80 80 LYS H H 80 7.536 7.845 -0.309 1
1 849 . 19 1 1 A 80 80 LYS HA H 80 3.931 4.128 -0.197 1
1 858 . 19 1 1 A 80 80 LYS CA C 80 59.952 58.809 1.143 1
1 859 . 19 1 1 A 80 80 LYS CB C 80 33.221 31.985 1.236 1
1 863 . 19 1 1 A 80 80 LYS N N 80 119.684 121.087 -1.403 1
1 864 . 19 1 1 A 81 81 LEU H H 81 8.473 7.824 0.649 1
1 865 . 19 1 1 A 81 81 LEU HA H 81 3.765 3.985 -0.220 1
1 875 . 19 1 1 A 81 81 LEU CA C 81 57.564 57.769 -0.205 1
1 876 . 19 1 1 A 81 81 LEU CB C 81 42.473 41.736 0.737 1
1 880 . 19 1 1 A 81 81 LEU N N 81 121.519 120.113 1.406 1
1 881 . 19 1 1 A 82 82 ALA H H 82 8.682 8.196 0.486 1
1 882 . 19 1 1 A 82 82 ALA HA H 82 3.479 4.293 -0.814 1
1 886 . 19 1 1 A 82 82 ALA CA C 82 55.731 55.796 -0.065 1
1 887 . 19 1 1 A 82 82 ALA CB C 82 17.388 18.352 -0.964 1
1 888 . 19 1 1 A 82 82 ALA N N 82 123.814 121.633 2.181 1
1 889 . 19 1 1 A 83 83 ARG H H 83 7.329 7.879 -0.550 1
1 890 . 19 1 1 A 83 83 ARG HA H 83 3.981 4.077 -0.096 1
1 897 . 19 1 1 A 83 83 ARG CA C 83 59.137 59.710 -0.573 1
1 898 . 19 1 1 A 83 83 ARG CB C 83 29.971 30.081 -0.110 1
1 901 . 19 1 1 A 83 83 ARG N N 83 118.219 117.519 0.700 1
1 902 . 19 1 1 A 84 84 GLN H H 84 7.750 7.567 0.183 1
1 903 . 19 1 1 A 84 84 GLN HA H 84 4.047 4.070 -0.023 1
1 906 . 19 1 1 A 84 84 GLN CA C 84 58.685 58.414 0.271 1
1 907 . 19 1 1 A 84 84 GLN CB C 84 29.903 28.630 1.273 1
1 909 . 19 1 1 A 84 84 GLN N N 84 119.887 119.389 0.498 1
1 910 . 19 1 1 A 85 85 LEU H H 85 8.610 8.558 0.052 1
1 911 . 19 1 1 A 85 85 LEU HA H 85 3.788 3.955 -0.167 1
1 920 . 19 1 1 A 85 85 LEU CA C 85 57.600 57.679 -0.079 1
1 921 . 19 1 1 A 85 85 LEU CB C 85 41.178 41.327 -0.149 1
1 925 . 19 1 1 A 85 85 LEU N N 85 122.951 119.951 3.000 1
1 926 . 19 1 1 A 86 86 THR H H 86 7.709 8.432 -0.723 1
1 927 . 19 1 1 A 86 86 THR HA H 86 4.056 3.986 0.070 1
1 932 . 19 1 1 A 86 86 THR CA C 86 65.924 67.109 -1.185 1
1 933 . 19 1 1 A 86 86 THR CB C 86 68.870 67.893 0.977 1
1 935 . 19 1 1 A 86 86 THR N N 86 116.282 116.187 0.095 1
1 936 . 19 1 1 A 87 87 LYS H H 87 7.457 7.978 -0.521 1
1 937 . 19 1 1 A 87 87 LYS HA H 87 4.102 3.993 0.109 1
1 946 . 19 1 1 A 87 87 LYS CA C 87 58.289 59.452 -1.163 1
1 947 . 19 1 1 A 87 87 LYS CB C 87 32.293 32.570 -0.277 1
1 951 . 19 1 1 A 87 87 LYS N N 87 122.670 120.863 1.807 1
1 952 . 19 1 1 A 88 88 HIS H H 88 7.928 8.069 -0.141 1
1 953 . 19 1 1 A 88 88 HIS HA H 88 4.301 4.233 0.068 1
1 957 . 19 1 1 A 88 88 HIS CA C 88 58.361 59.064 -0.703 1
1 958 . 19 1 1 A 88 88 HIS CB C 88 30.766 28.528 2.238 1
1 960 . 19 1 1 A 88 88 HIS N N 88 121.382 117.319 4.063 1
1 961 . 19 1 1 A 89 89 LYS H H 89 7.928 7.535 0.393 1
1 962 . 19 1 1 A 89 89 LYS HA H 89 3.934 3.942 -0.008 1
1 971 . 19 1 1 A 89 89 LYS CA C 89 58.568 58.408 0.160 1
1 972 . 19 1 1 A 89 89 LYS CB C 89 32.489 31.831 0.658 1
1 976 . 19 1 1 A 89 89 LYS N N 89 121.821 121.223 0.598 1
1 977 . 19 1 1 A 90 90 ASP H H 90 8.143 7.695 0.448 1
1 978 . 19 1 1 A 90 90 ASP HA H 90 4.445 4.468 -0.023 1
1 981 . 19 1 1 A 90 90 ASP CA C 90 55.869 56.721 -0.852 1
1 982 . 19 1 1 A 90 90 ASP CB C 90 40.715 40.726 -0.011 1
1 983 . 19 1 1 A 90 90 ASP N N 90 121.199 119.619 1.580 1
1 984 . 19 1 1 A 91 91 LYS H H 91 7.867 7.564 0.303 1
1 985 . 19 1 1 A 91 91 LYS HA H 91 4.130 4.080 0.050 1
1 994 . 19 1 1 A 91 91 LYS CA C 91 57.421 59.209 -1.788 1
1 995 . 19 1 1 A 91 91 LYS CB C 91 32.365 32.573 -0.208 1
1 999 . 19 1 1 A 91 91 LYS N N 91 121.976 118.474 3.502 1
1 1000 . 19 1 1 A 92 92 LEU H H 92 7.709 7.774 -0.065 1
1 1001 . 19 1 1 A 92 92 LEU HA H 92 4.171 4.504 -0.333 1
1 1011 . 19 1 1 A 92 92 LEU CA C 92 55.449 54.484 0.965 1
1 1012 . 19 1 1 A 92 92 LEU CB C 92 41.871 39.316 2.555 1
1 1016 . 19 1 1 A 92 92 LEU N N 92 121.802 118.377 3.425 1
1 1017 . 19 1 1 A 93 93 LYS H H 93 7.751 7.708 0.043 1
1 1018 . 19 1 1 A 93 93 LYS HA H 93 4.197 5.057 -0.860 1
1 1027 . 19 1 1 A 93 93 LYS CA C 93 56.420 54.405 2.015 1
1 1028 . 19 1 1 A 93 93 LYS CB C 93 32.792 36.212 -3.420 1
1 1032 . 19 1 1 A 93 93 LYS N N 93 121.954 123.646 -1.692 1
1 1033 . 19 1 1 A 94 94 GLN H H 94 8.129 8.435 -0.306 1
1 1034 . 19 1 1 A 94 94 GLN HA H 94 4.208 4.234 -0.026 1
1 1039 . 19 1 1 A 94 94 GLN CA C 94 55.891 56.151 -0.260 1
1 1040 . 19 1 1 A 94 94 GLN CB C 94 29.236 28.706 0.530 1
1 1042 . 19 1 1 A 94 94 GLN N N 94 123.165 122.676 0.489 1
1 1 . 20 1 1 A 2 2 GLN H H 2 7.809 8.249 -0.440 1
1 2 . 20 1 1 A 2 2 GLN HA H 2 4.394 4.583 -0.189 1
1 7 . 20 1 1 A 2 2 GLN CA C 2 55.124 56.478 -1.354 1
1 8 . 20 1 1 A 2 2 GLN CB C 2 30.385 30.163 0.222 1
1 10 . 20 1 1 A 2 2 GLN N N 2 126.586 116.700 9.886 1
1 11 . 20 1 1 A 3 3 LEU H H 3 8.598 7.930 0.668 1
1 12 . 20 1 1 A 3 3 LEU HA H 3 4.380 5.287 -0.907 1
1 22 . 20 1 1 A 3 3 LEU CA C 3 54.590 52.554 2.036 1
1 23 . 20 1 1 A 3 3 LEU CB C 3 43.701 45.144 -1.443 1
1 27 . 20 1 1 A 3 3 LEU N N 3 128.942 116.122 12.820 1
1 28 . 20 1 1 A 4 4 ASN H H 4 8.227 9.003 -0.776 1
1 29 . 20 1 1 A 4 4 ASN HA H 4 4.864 5.473 -0.609 1
1 32 . 20 1 1 A 4 4 ASN CA C 4 52.628 51.394 1.234 1
1 33 . 20 1 1 A 4 4 ASN CB C 4 41.258 42.487 -1.229 1
1 34 . 20 1 1 A 4 4 ASN N N 4 127.137 117.770 9.367 1
1 35 . 20 1 1 A 5 5 ILE H H 5 8.659 8.738 -0.079 1
1 36 . 20 1 1 A 5 5 ILE HA H 5 4.901 5.389 -0.488 1
1 46 . 20 1 1 A 5 5 ILE CA C 5 60.288 59.102 1.186 1
1 47 . 20 1 1 A 5 5 ILE CB C 5 40.902 41.922 -1.020 1
1 51 . 20 1 1 A 5 5 ILE N N 5 126.355 117.788 8.567 1
1 52 . 20 1 1 A 6 6 THR H H 6 8.796 8.689 0.107 1
1 53 . 20 1 1 A 6 6 THR HA H 6 4.654 4.838 -0.184 1
1 58 . 20 1 1 A 6 6 THR CA C 6 60.751 60.913 -0.162 1
1 59 . 20 1 1 A 6 6 THR CB C 6 71.993 71.616 0.377 1
1 61 . 20 1 1 A 6 6 THR N N 6 123.546 117.529 6.017 1
1 62 . 20 1 1 A 7 7 GLY H H 7 8.833 9.216 -0.383 1
1 63 . 20 1 1 A 7 7 GLY HA2 H 7 3.764 4.182 -0.418 1
1 64 . 20 1 1 A 7 7 GLY HA3 H 7 5.071 4.189 0.882 1
1 65 . 20 1 1 A 7 7 GLY CA C 7 44.318 44.727 -0.409 1
1 66 . 20 1 1 A 7 7 GLY N N 7 112.240 115.074 -2.834 1
1 67 . 20 1 1 A 8 8 ASN H H 8 8.962 8.321 0.641 1
1 68 . 20 1 1 A 8 8 ASN HA H 8 4.828 5.188 -0.360 1
1 71 . 20 1 1 A 8 8 ASN CA C 8 52.799 52.486 0.313 1
1 72 . 20 1 1 A 8 8 ASN CB C 8 39.244 39.067 0.177 1
1 73 . 20 1 1 A 8 8 ASN N N 8 124.384 120.842 3.542 1
1 74 . 20 1 1 A 9 9 ASN H H 9 8.756 9.101 -0.345 1
1 75 . 20 1 1 A 9 9 ASN HA H 9 4.248 4.281 -0.033 1
1 78 . 20 1 1 A 9 9 ASN CA C 9 53.998 54.239 -0.241 1
1 79 . 20 1 1 A 9 9 ASN CB C 9 37.231 37.653 -0.422 1
1 80 . 20 1 1 A 9 9 ASN N N 9 120.082 118.344 1.738 1
1 81 . 20 1 1 A 10 10 VAL H H 10 6.825 7.742 -0.917 1
1 82 . 20 1 1 A 10 10 VAL HA H 10 4.097 4.555 -0.458 1
1 90 . 20 1 1 A 10 10 VAL CA C 10 60.425 60.190 0.235 1
1 91 . 20 1 1 A 10 10 VAL CB C 10 34.765 35.400 -0.635 1
1 94 . 20 1 1 A 10 10 VAL N N 10 115.342 117.421 -2.079 1
1 95 . 20 1 1 A 11 11 GLU H H 11 8.347 8.604 -0.257 1
1 96 . 20 1 1 A 11 11 GLU HA H 11 4.174 4.539 -0.365 1
1 101 . 20 1 1 A 11 11 GLU CA C 11 55.442 56.524 -1.082 1
1 102 . 20 1 1 A 11 11 GLU CB C 11 30.114 29.948 0.166 1
1 104 . 20 1 1 A 11 11 GLU N N 11 129.115 127.572 1.543 1
1 105 . 20 1 1 A 12 12 ILE H H 12 8.942 8.833 0.109 1
1 106 . 20 1 1 A 12 12 ILE HA H 12 4.034 4.428 -0.394 1
1 116 . 20 1 1 A 12 12 ILE CA C 12 58.894 61.452 -2.558 1
1 117 . 20 1 1 A 12 12 ILE CB C 12 33.240 36.788 -3.548 1
1 121 . 20 1 1 A 12 12 ILE N N 12 128.622 127.929 0.693 1
1 122 . 20 1 1 A 13 13 THR H H 13 6.818 7.929 -1.111 1
1 123 . 20 1 1 A 13 13 THR HA H 13 4.429 4.910 -0.481 1
1 128 . 20 1 1 A 13 13 THR CA C 13 60.052 59.830 0.222 1
1 129 . 20 1 1 A 13 13 THR CB C 13 70.842 71.238 -0.396 1
1 131 . 20 1 1 A 13 13 THR N N 13 119.687 119.942 -0.255 1
1 132 . 20 1 1 A 14 14 GLU H H 14 8.969 9.040 -0.071 1
1 133 . 20 1 1 A 14 14 GLU HA H 14 4.024 4.016 0.008 1
1 138 . 20 1 1 A 14 14 GLU CA C 14 59.794 60.294 -0.500 1
1 139 . 20 1 1 A 14 14 GLU CB C 14 28.845 29.447 -0.602 1
1 141 . 20 1 1 A 14 14 GLU N N 14 123.290 122.665 0.625 1
1 142 . 20 1 1 A 15 15 ALA H H 15 8.334 7.821 0.513 1
1 143 . 20 1 1 A 15 15 ALA HA H 15 4.151 4.204 -0.053 1
1 147 . 20 1 1 A 15 15 ALA CA C 15 55.076 55.344 -0.268 1
1 148 . 20 1 1 A 15 15 ALA CB C 15 18.008 18.179 -0.171 1
1 149 . 20 1 1 A 15 15 ALA N N 15 121.958 121.804 0.154 1
1 150 . 20 1 1 A 16 16 LEU H H 16 7.765 8.243 -0.478 1
1 151 . 20 1 1 A 16 16 LEU HA H 16 4.240 4.243 -0.003 1
1 161 . 20 1 1 A 16 16 LEU CA C 16 57.674 57.709 -0.035 1
1 162 . 20 1 1 A 16 16 LEU CB C 16 42.122 41.664 0.458 1
1 166 . 20 1 1 A 16 16 LEU N N 16 123.064 119.748 3.316 1
1 167 . 20 1 1 A 17 17 ARG H H 17 8.627 8.308 0.319 1
1 168 . 20 1 1 A 17 17 ARG HA H 17 3.595 4.072 -0.477 1
1 175 . 20 1 1 A 17 17 ARG CA C 17 60.573 59.151 1.422 1
1 176 . 20 1 1 A 17 17 ARG CB C 17 29.679 30.078 -0.399 1
1 179 . 20 1 1 A 17 17 ARG N N 17 121.878 118.296 3.582 1
1 180 . 20 1 1 A 18 18 GLU H H 18 8.665 8.767 -0.102 1
1 181 . 20 1 1 A 18 18 GLU HA H 18 3.952 4.130 -0.178 1
1 186 . 20 1 1 A 18 18 GLU CA C 18 59.654 59.272 0.382 1
1 187 . 20 1 1 A 18 18 GLU CB C 18 29.301 29.409 -0.108 1
1 189 . 20 1 1 A 18 18 GLU N N 18 123.257 118.608 4.649 1
1 190 . 20 1 1 A 19 19 PHE H H 19 8.026 8.374 -0.348 1
1 191 . 20 1 1 A 19 19 PHE HA H 19 4.258 4.145 0.113 1
1 195 . 20 1 1 A 19 19 PHE CA C 19 61.640 61.293 0.347 1
1 196 . 20 1 1 A 19 19 PHE CB C 19 39.547 39.458 0.089 1
1 198 . 20 1 1 A 19 19 PHE N N 19 123.888 121.934 1.954 1
1 199 . 20 1 1 A 20 20 VAL H H 20 8.734 8.089 0.645 1
1 200 . 20 1 1 A 20 20 VAL HA H 20 3.336 3.572 -0.236 1
1 208 . 20 1 1 A 20 20 VAL CA C 20 67.245 66.491 0.754 1
1 209 . 20 1 1 A 20 20 VAL CB C 20 31.965 31.880 0.085 1
1 212 . 20 1 1 A 20 20 VAL N N 20 119.762 118.796 0.966 1
1 213 . 20 1 1 A 21 21 THR H H 21 8.213 8.201 0.012 1
1 214 . 20 1 1 A 21 21 THR HA H 21 3.615 3.936 -0.321 1
1 218 . 20 1 1 A 21 21 THR CA C 21 67.657 66.365 1.292 1
1 219 . 20 1 1 A 21 21 THR CB C 21 68.697 68.225 0.472 1
1 221 . 20 1 1 A 21 21 THR N N 21 117.446 115.120 2.326 1
1 222 . 20 1 1 A 22 22 ALA H H 22 8.050 8.650 -0.600 1
1 223 . 20 1 1 A 22 22 ALA HA H 22 4.084 3.983 0.101 1
1 227 . 20 1 1 A 22 22 ALA CA C 22 54.998 55.566 -0.568 1
1 228 . 20 1 1 A 22 22 ALA CB C 22 17.880 18.355 -0.475 1
1 229 . 20 1 1 A 22 22 ALA N N 22 125.291 123.362 1.929 1
1 230 . 20 1 1 A 23 23 LYS H H 23 7.868 7.462 0.406 1
1 231 . 20 1 1 A 23 23 LYS HA H 23 3.886 3.949 -0.063 1
1 240 . 20 1 1 A 23 23 LYS CA C 23 57.286 58.480 -1.194 1
1 241 . 20 1 1 A 23 23 LYS CB C 23 30.651 32.391 -1.740 1
1 245 . 20 1 1 A 23 23 LYS N N 23 119.332 117.550 1.782 1
1 246 . 20 1 1 A 24 24 PHE H H 24 8.369 8.147 0.222 1
1 247 . 20 1 1 A 24 24 PHE HA H 24 3.805 4.446 -0.641 1
1 252 . 20 1 1 A 24 24 PHE CA C 24 62.055 60.206 1.849 1
1 253 . 20 1 1 A 24 24 PHE CB C 24 38.744 38.746 -0.002 1
1 256 . 20 1 1 A 24 24 PHE N N 24 119.142 119.139 0.003 1
1 257 . 20 1 1 A 25 25 ALA H H 25 7.879 8.252 -0.373 1
1 258 . 20 1 1 A 25 25 ALA HA H 25 4.140 4.105 0.035 1
1 262 . 20 1 1 A 25 25 ALA CA C 25 55.014 55.384 -0.370 1
1 263 . 20 1 1 A 25 25 ALA CB C 25 17.773 18.149 -0.376 1
1 264 . 20 1 1 A 25 25 ALA N N 25 123.500 121.563 1.937 1
1 265 . 20 1 1 A 26 26 LYS H H 26 7.217 7.485 -0.268 1
1 266 . 20 1 1 A 26 26 LYS HA H 26 4.024 3.915 0.109 1
1 275 . 20 1 1 A 26 26 LYS CA C 26 58.189 58.675 -0.486 1
1 276 . 20 1 1 A 26 26 LYS CB C 26 32.033 32.020 0.013 1
1 280 . 20 1 1 A 26 26 LYS N N 26 118.541 117.561 0.980 1
1 281 . 20 1 1 A 27 27 LEU H H 27 7.773 7.764 0.009 1
1 282 . 20 1 1 A 27 27 LEU HA H 27 4.257 3.206 1.051 1
1 292 . 20 1 1 A 27 27 LEU CA C 27 55.889 56.246 -0.357 1
1 293 . 20 1 1 A 27 27 LEU CB C 27 41.083 41.599 -0.516 1
1 297 . 20 1 1 A 27 27 LEU N N 27 118.340 119.296 -0.956 1
1 298 . 20 1 1 A 28 28 GLU H H 28 7.296 8.223 -0.927 1
1 299 . 20 1 1 A 28 28 GLU HA H 28 3.489 4.207 -0.718 1
1 304 . 20 1 1 A 28 28 GLU CA C 28 58.336 58.856 -0.520 1
1 305 . 20 1 1 A 28 28 GLU CB C 28 29.265 29.265 0.000 1
1 307 . 20 1 1 A 28 28 GLU N N 28 119.557 119.543 0.014 1
1 308 . 20 1 1 A 29 29 GLN H H 29 7.783 7.588 0.195 1
1 309 . 20 1 1 A 29 29 GLN HA H 29 3.923 3.970 -0.047 1
1 314 . 20 1 1 A 29 29 GLN CA C 29 57.387 58.271 -0.884 1
1 315 . 20 1 1 A 29 29 GLN CB C 29 28.082 28.691 -0.609 1
1 317 . 20 1 1 A 29 29 GLN N N 29 117.927 119.771 -1.844 1
1 318 . 20 1 1 A 30 30 TYR H H 30 7.731 6.986 0.745 1
1 319 . 20 1 1 A 30 30 TYR HA H 30 4.433 4.428 0.005 1
1 324 . 20 1 1 A 30 30 TYR CA C 30 58.371 58.298 0.073 1
1 325 . 20 1 1 A 30 30 TYR CB C 30 39.297 38.589 0.708 1
1 328 . 20 1 1 A 30 30 TYR N N 30 118.639 118.555 0.084 1
1 329 . 20 1 1 A 31 31 PHE H H 31 7.652 7.592 0.060 1
1 330 . 20 1 1 A 31 31 PHE HA H 31 4.605 4.807 -0.202 1
1 334 . 20 1 1 A 31 31 PHE CA C 31 58.507 57.869 0.638 1
1 335 . 20 1 1 A 31 31 PHE CB C 31 40.438 39.874 0.564 1
1 337 . 20 1 1 A 31 31 PHE N N 31 119.753 119.548 0.205 1
1 338 . 20 1 1 A 32 32 ASP H H 32 8.087 9.126 -1.039 1
1 339 . 20 1 1 A 32 32 ASP HA H 32 4.465 4.861 -0.396 1
1 342 . 20 1 1 A 32 32 ASP CA C 32 55.094 54.697 0.397 1
1 343 . 20 1 1 A 32 32 ASP CB C 32 40.511 42.376 -1.865 1
1 344 . 20 1 1 A 32 32 ASP N N 32 121.865 126.331 -4.466 1
1 345 . 20 1 1 A 33 33 ARG H H 33 7.083 7.811 -0.728 1
1 346 . 20 1 1 A 33 33 ARG HA H 33 4.412 4.505 -0.093 1
1 353 . 20 1 1 A 33 33 ARG CA C 33 55.082 55.649 -0.567 1
1 354 . 20 1 1 A 33 33 ARG CB C 33 30.409 28.632 1.777 1
1 357 . 20 1 1 A 33 33 ARG N N 33 119.603 116.900 2.703 1
1 358 . 20 1 1 A 34 34 ILE H H 34 8.139 8.164 -0.025 1
1 359 . 20 1 1 A 34 34 ILE HA H 34 4.051 4.865 -0.814 1
1 369 . 20 1 1 A 34 34 ILE CA C 34 61.543 60.589 0.954 1
1 370 . 20 1 1 A 34 34 ILE CB C 34 39.510 41.400 -1.890 1
1 374 . 20 1 1 A 34 34 ILE N N 34 123.576 124.547 -0.971 1
1 375 . 20 1 1 A 35 35 ASN H H 35 8.560 8.804 -0.244 1
1 376 . 20 1 1 A 35 35 ASN HA H 35 4.870 4.925 -0.055 1
1 379 . 20 1 1 A 35 35 ASN CA C 35 53.877 54.090 -0.213 1
1 380 . 20 1 1 A 35 35 ASN CB C 35 38.806 39.395 -0.589 1
1 381 . 20 1 1 A 35 35 ASN N N 35 126.934 121.694 5.240 1
1 382 . 20 1 1 A 36 36 GLN H H 36 7.843 7.958 -0.115 1
1 383 . 20 1 1 A 36 36 GLN HA H 36 4.519 4.936 -0.417 1
1 388 . 20 1 1 A 36 36 GLN CA C 36 56.345 54.532 1.813 1
1 389 . 20 1 1 A 36 36 GLN CB C 36 31.240 31.610 -0.370 1
1 391 . 20 1 1 A 36 36 GLN N N 36 120.673 118.190 2.483 1
1 392 . 20 1 1 A 37 37 VAL H H 37 8.330 8.914 -0.584 1
1 393 . 20 1 1 A 37 37 VAL HA H 37 4.693 5.019 -0.326 1
1 401 . 20 1 1 A 37 37 VAL CA C 37 60.789 59.920 0.869 1
1 402 . 20 1 1 A 37 37 VAL CB C 37 34.740 34.691 0.049 1
1 405 . 20 1 1 A 37 37 VAL N N 37 123.403 121.136 2.267 1
1 406 . 20 1 1 A 38 38 TYR H H 38 8.943 8.081 0.862 1
1 407 . 20 1 1 A 38 38 TYR HA H 38 5.039 6.164 -1.125 1
1 412 . 20 1 1 A 38 38 TYR CA C 38 57.028 55.341 1.687 1
1 413 . 20 1 1 A 38 38 TYR CB C 38 39.705 42.616 -2.911 1
1 416 . 20 1 1 A 38 38 TYR N N 38 129.202 120.464 8.738 1
1 417 . 20 1 1 A 39 39 VAL H H 39 9.053 8.740 0.313 1
1 418 . 20 1 1 A 39 39 VAL HA H 39 5.048 4.979 0.069 1
1 426 . 20 1 1 A 39 39 VAL CA C 39 60.685 60.495 0.190 1
1 427 . 20 1 1 A 39 39 VAL CB C 39 34.107 36.000 -1.893 1
1 430 . 20 1 1 A 39 39 VAL N N 39 127.771 121.287 6.484 1
1 431 . 20 1 1 A 40 40 VAL H H 40 9.276 8.778 0.498 1
1 432 . 20 1 1 A 40 40 VAL HA H 40 4.862 4.958 -0.096 1
1 440 . 20 1 1 A 40 40 VAL CA C 40 60.896 60.812 0.084 1
1 441 . 20 1 1 A 40 40 VAL CB C 40 34.411 35.896 -1.485 1
1 444 . 20 1 1 A 40 40 VAL N N 40 130.939 126.244 4.695 1
1 445 . 20 1 1 A 41 41 LEU H H 41 8.714 8.809 -0.095 1
1 446 . 20 1 1 A 41 41 LEU HA H 41 5.111 5.533 -0.422 1
1 456 . 20 1 1 A 41 41 LEU CA C 41 53.150 52.983 0.167 1
1 457 . 20 1 1 A 41 41 LEU CB C 41 42.538 45.287 -2.749 1
1 461 . 20 1 1 A 41 41 LEU N N 41 130.200 124.877 5.323 1
1 462 . 20 1 1 A 42 42 LYS H H 42 8.955 9.807 -0.852 1
1 463 . 20 1 1 A 42 42 LYS HA H 42 5.180 5.607 -0.427 1
1 472 . 20 1 1 A 42 42 LYS CA C 42 55.017 54.780 0.237 1
1 473 . 20 1 1 A 42 42 LYS CB C 42 36.649 34.356 2.293 1
1 477 . 20 1 1 A 42 42 LYS N N 42 124.155 123.072 1.083 1
1 478 . 20 1 1 A 43 43 VAL H H 43 7.515 8.145 -0.630 1
1 479 . 20 1 1 A 43 43 VAL HA H 43 4.360 4.541 -0.181 1
1 487 . 20 1 1 A 43 43 VAL CA C 43 61.230 61.217 0.013 1
1 488 . 20 1 1 A 43 43 VAL CB C 43 33.656 33.043 0.613 1
1 491 . 20 1 1 A 43 43 VAL N N 43 124.332 125.372 -1.040 1
1 492 . 20 1 1 A 44 44 GLU H H 44 8.092 8.359 -0.267 1
1 493 . 20 1 1 A 44 44 GLU HA H 44 4.368 4.780 -0.412 1
1 498 . 20 1 1 A 44 44 GLU CA C 44 55.445 54.295 1.150 1
1 499 . 20 1 1 A 44 44 GLU CB C 44 31.404 33.158 -1.754 1
1 501 . 20 1 1 A 44 44 GLU N N 44 130.594 125.442 5.152 1
1 502 . 20 1 1 A 45 45 LYS H H 45 8.982 8.737 0.245 1
1 503 . 20 1 1 A 45 45 LYS HA H 45 3.695 3.917 -0.222 1
1 512 . 20 1 1 A 45 45 LYS CA C 45 59.588 58.932 0.656 1
1 513 . 20 1 1 A 45 45 LYS CB C 45 30.077 32.148 -2.071 1
1 517 . 20 1 1 A 45 45 LYS N N 45 125.587 120.973 4.614 1
1 518 . 20 1 1 A 46 46 VAL H H 46 7.710 7.429 0.281 1
1 519 . 20 1 1 A 46 46 VAL HA H 46 4.346 3.980 0.366 1
1 527 . 20 1 1 A 46 46 VAL CA C 46 61.342 64.658 -3.316 1
1 528 . 20 1 1 A 46 46 VAL CB C 46 31.917 31.933 -0.016 1
1 531 . 20 1 1 A 46 46 VAL N N 46 115.763 118.077 -2.314 1
1 532 . 20 1 1 A 47 47 THR H H 47 8.151 7.303 0.848 1
1 533 . 20 1 1 A 47 47 THR HA H 47 4.397 5.300 -0.903 1
1 538 . 20 1 1 A 47 47 THR CA C 47 63.072 61.147 1.925 1
1 539 . 20 1 1 A 47 47 THR CB C 47 69.615 72.200 -2.585 1
1 541 . 20 1 1 A 47 47 THR N N 47 120.888 111.877 9.011 1
1 542 . 20 1 1 A 48 48 HIS H H 48 8.753 9.208 -0.455 1
1 543 . 20 1 1 A 48 48 HIS HA H 48 4.826 5.281 -0.455 1
1 547 . 20 1 1 A 48 48 HIS CA C 48 55.978 55.005 0.973 1
1 548 . 20 1 1 A 48 48 HIS CB C 48 30.476 30.781 -0.305 1
1 550 . 20 1 1 A 48 48 HIS N N 48 130.755 123.148 7.607 1
1 551 . 20 1 1 A 49 49 THR H H 49 9.136 8.600 0.536 1
1 552 . 20 1 1 A 49 49 THR HA H 49 5.245 5.034 0.211 1
1 557 . 20 1 1 A 49 49 THR CA C 49 60.941 61.187 -0.246 1
1 558 . 20 1 1 A 49 49 THR CB C 49 71.411 71.427 -0.016 1
1 560 . 20 1 1 A 49 49 THR N N 49 118.522 118.146 0.376 1
1 561 . 20 1 1 A 50 50 SER H H 50 9.050 8.864 0.186 1
1 562 . 20 1 1 A 50 50 SER HA H 50 5.348 5.511 -0.163 1
1 565 . 20 1 1 A 50 50 SER CA C 50 55.645 56.630 -0.985 1
1 566 . 20 1 1 A 50 50 SER CB C 50 66.579 66.092 0.487 1
1 567 . 20 1 1 A 50 50 SER N N 50 119.749 120.488 -0.739 1
1 568 . 20 1 1 A 51 51 ASP H H 51 8.843 9.685 -0.842 1
1 569 . 20 1 1 A 51 51 ASP HA H 51 5.363 5.879 -0.516 1
1 572 . 20 1 1 A 51 51 ASP CA C 51 52.879 52.187 0.692 1
1 573 . 20 1 1 A 51 51 ASP CB C 51 45.173 44.617 0.556 1
1 574 . 20 1 1 A 51 51 ASP N N 51 126.330 121.381 4.949 1
1 575 . 20 1 1 A 52 52 ALA H H 52 8.938 9.443 -0.505 1
1 576 . 20 1 1 A 52 52 ALA HA H 52 5.777 5.286 0.491 1
1 580 . 20 1 1 A 52 52 ALA CA C 52 50.806 50.831 -0.025 1
1 581 . 20 1 1 A 52 52 ALA CB C 52 24.676 23.044 1.632 1
1 582 . 20 1 1 A 52 52 ALA N N 52 122.789 121.949 0.840 1
1 583 . 20 1 1 A 53 53 THR H H 53 8.666 8.332 0.334 1
1 584 . 20 1 1 A 53 53 THR HA H 53 4.979 5.012 -0.033 1
1 589 . 20 1 1 A 53 53 THR CA C 53 62.026 61.239 0.787 1
1 590 . 20 1 1 A 53 53 THR CB C 53 70.850 70.392 0.458 1
1 592 . 20 1 1 A 53 53 THR N N 53 118.344 115.893 2.451 1
1 593 . 20 1 1 A 54 54 LEU H H 54 9.662 8.783 0.879 1
1 594 . 20 1 1 A 54 54 LEU HA H 54 4.921 5.059 -0.138 1
1 604 . 20 1 1 A 54 54 LEU CA C 54 53.923 53.833 0.090 1
1 605 . 20 1 1 A 54 54 LEU CB C 54 43.782 44.329 -0.547 1
1 609 . 20 1 1 A 54 54 LEU N N 54 129.166 127.438 1.728 1
1 610 . 20 1 1 A 55 55 HIS H H 55 8.956 9.168 -0.212 1
1 611 . 20 1 1 A 55 55 HIS HA H 55 4.882 5.137 -0.255 1
1 615 . 20 1 1 A 55 55 HIS CA C 55 56.326 54.445 1.881 1
1 616 . 20 1 1 A 55 55 HIS CB C 55 30.431 32.163 -1.732 1
1 618 . 20 1 1 A 55 55 HIS N N 55 126.094 121.743 4.351 1
1 619 . 20 1 1 A 56 56 VAL H H 56 8.151 9.075 -0.924 1
1 620 . 20 1 1 A 56 56 VAL HA H 56 4.856 4.353 0.503 1
1 628 . 20 1 1 A 56 56 VAL CA C 56 58.734 61.226 -2.492 1
1 629 . 20 1 1 A 56 56 VAL CB C 56 34.523 33.965 0.558 1
1 632 . 20 1 1 A 56 56 VAL N N 56 120.242 122.500 -2.258 1
1 633 . 20 1 1 A 57 57 ASN H H 57 8.970 9.000 -0.030 1
1 634 . 20 1 1 A 57 57 ASN HA H 57 4.463 4.381 0.082 1
1 637 . 20 1 1 A 57 57 ASN CA C 57 54.963 55.359 -0.396 1
1 638 . 20 1 1 A 57 57 ASN CB C 57 37.481 37.225 0.256 1
1 639 . 20 1 1 A 57 57 ASN N N 57 124.652 122.463 2.189 1
1 640 . 20 1 1 A 58 58 GLY H H 58 8.868 8.525 0.343 1
1 641 . 20 1 1 A 58 58 GLY HA2 H 58 3.814 4.005 -0.191 1
1 642 . 20 1 1 A 58 58 GLY HA3 H 58 4.152 4.017 0.135 1
1 643 . 20 1 1 A 58 58 GLY CA C 58 45.606 45.442 0.164 1
1 644 . 20 1 1 A 58 58 GLY N N 58 112.816 109.444 3.372 1
1 645 . 20 1 1 A 59 59 GLY H H 59 7.848 8.504 -0.656 1
1 646 . 20 1 1 A 59 59 GLY HA2 H 59 3.978 4.192 -0.214 1
1 647 . 20 1 1 A 59 59 GLY HA3 H 59 4.153 4.231 -0.078 1
1 648 . 20 1 1 A 59 59 GLY CA C 59 45.321 44.722 0.599 1
1 649 . 20 1 1 A 59 59 GLY N N 59 109.857 108.320 1.537 1
1 650 . 20 1 1 A 60 60 GLU H H 60 8.262 8.583 -0.321 1
1 651 . 20 1 1 A 60 60 GLU HA H 60 5.110 5.040 0.070 1
1 656 . 20 1 1 A 60 60 GLU CA C 60 54.756 54.900 -0.144 1
1 657 . 20 1 1 A 60 60 GLU CB C 60 32.933 33.097 -0.164 1
1 659 . 20 1 1 A 60 60 GLU N N 60 121.732 121.068 0.664 1
1 660 . 20 1 1 A 61 61 ILE H H 61 8.764 8.662 0.102 1
1 661 . 20 1 1 A 61 61 ILE HA H 61 4.286 4.833 -0.547 1
1 671 . 20 1 1 A 61 61 ILE CA C 61 59.713 60.174 -0.461 1
1 672 . 20 1 1 A 61 61 ILE CB C 61 41.194 39.743 1.451 1
1 676 . 20 1 1 A 61 61 ILE N N 61 124.817 124.071 0.746 1
1 677 . 20 1 1 A 62 62 HIS H H 62 8.907 8.881 0.026 1
1 678 . 20 1 1 A 62 62 HIS HA H 62 5.743 5.517 0.226 1
1 682 . 20 1 1 A 62 62 HIS CA C 62 54.009 53.783 0.226 1
1 683 . 20 1 1 A 62 62 HIS CB C 62 32.365 33.167 -0.802 1
1 685 . 20 1 1 A 62 62 HIS N N 62 127.338 126.824 0.514 1
1 686 . 20 1 1 A 63 63 ALA H H 63 8.298 9.069 -0.771 1
1 687 . 20 1 1 A 63 63 ALA HA H 63 4.480 5.214 -0.734 1
1 691 . 20 1 1 A 63 63 ALA CA C 63 51.764 50.602 1.162 1
1 692 . 20 1 1 A 63 63 ALA CB C 63 23.678 24.011 -0.333 1
1 693 . 20 1 1 A 63 63 ALA N N 63 125.511 129.463 -3.952 1
1 694 . 20 1 1 A 64 64 SER H H 64 8.070 8.766 -0.696 1
1 695 . 20 1 1 A 64 64 SER HA H 64 5.286 5.687 -0.401 1
1 698 . 20 1 1 A 64 64 SER CA C 64 56.782 57.206 -0.424 1
1 699 . 20 1 1 A 64 64 SER CB C 64 65.895 66.974 -1.079 1
1 700 . 20 1 1 A 64 64 SER N N 64 114.469 112.336 2.133 1
1 701 . 20 1 1 A 65 65 ALA H H 65 8.904 8.840 0.064 1
1 702 . 20 1 1 A 65 65 ALA HA H 65 4.669 5.232 -0.563 1
1 706 . 20 1 1 A 65 65 ALA CA C 65 51.753 50.854 0.899 1
1 707 . 20 1 1 A 65 65 ALA CB C 65 22.599 22.947 -0.348 1
1 708 . 20 1 1 A 65 65 ALA N N 65 126.977 123.083 3.894 1
1 709 . 20 1 1 A 66 66 GLU H H 66 8.200 8.825 -0.625 1
1 710 . 20 1 1 A 66 66 GLU HA H 66 5.680 5.360 0.320 1
1 715 . 20 1 1 A 66 66 GLU CA C 66 53.650 54.999 -1.349 1
1 716 . 20 1 1 A 66 66 GLU CB C 66 33.741 33.224 0.517 1
1 718 . 20 1 1 A 66 66 GLU N N 66 119.267 119.362 -0.095 1
1 719 . 20 1 1 A 67 67 GLY H H 67 8.836 8.647 0.189 1
1 720 . 20 1 1 A 67 67 GLY HA2 H 67 4.490 4.381 0.109 1
1 721 . 20 1 1 A 67 67 GLY HA3 H 67 3.728 4.383 -0.655 1
1 722 . 20 1 1 A 67 67 GLY CA C 67 45.157 44.810 0.347 1
1 723 . 20 1 1 A 67 67 GLY N N 67 108.048 107.858 0.190 1
1 724 . 20 1 1 A 68 68 GLN H H 68 8.997 8.678 0.319 1
1 725 . 20 1 1 A 68 68 GLN HA H 68 4.440 3.926 0.514 1
1 730 . 20 1 1 A 68 68 GLN CA C 68 56.996 57.768 -0.772 1
1 731 . 20 1 1 A 68 68 GLN CB C 68 28.694 28.745 -0.051 1
1 733 . 20 1 1 A 68 68 GLN N N 68 119.961 119.969 -0.008 1
1 734 . 20 1 1 A 69 69 ASP H H 69 7.542 7.421 0.121 1
1 735 . 20 1 1 A 69 69 ASP HA H 69 3.242 4.251 -1.009 1
1 738 . 20 1 1 A 69 69 ASP CA C 69 51.838 52.641 -0.803 1
1 739 . 20 1 1 A 69 69 ASP CB C 69 42.829 42.293 0.536 1
1 740 . 20 1 1 A 69 69 ASP N N 69 115.279 114.011 1.268 1
1 741 . 20 1 1 A 70 70 MET H H 70 8.409 8.678 -0.269 1
1 742 . 20 1 1 A 70 70 MET HA H 70 4.200 4.252 -0.052 1
1 747 . 20 1 1 A 70 70 MET CA C 70 56.505 57.985 -1.480 1
1 748 . 20 1 1 A 70 70 MET CB C 70 31.533 32.394 -0.861 1
1 750 . 20 1 1 A 70 70 MET N N 70 120.495 118.458 2.037 1
1 751 . 20 1 1 A 71 71 TYR H H 71 7.304 7.543 -0.239 1
1 752 . 20 1 1 A 71 71 TYR HA H 71 3.832 4.362 -0.530 1
1 757 . 20 1 1 A 71 71 TYR CA C 71 60.141 60.719 -0.578 1
1 758 . 20 1 1 A 71 71 TYR CB C 71 35.788 38.715 -2.927 1
1 761 . 20 1 1 A 71 71 TYR N N 71 120.024 118.233 1.791 1
1 762 . 20 1 1 A 72 72 ALA H H 72 8.474 8.863 -0.389 1
1 763 . 20 1 1 A 72 72 ALA HA H 72 4.213 4.082 0.131 1
1 767 . 20 1 1 A 72 72 ALA CA C 72 54.526 55.141 -0.615 1
1 768 . 20 1 1 A 72 72 ALA CB C 72 18.884 18.275 0.609 1
1 769 . 20 1 1 A 72 72 ALA N N 72 123.384 123.106 0.278 1
1 770 . 20 1 1 A 73 73 ALA H H 73 7.595 7.889 -0.294 1
1 771 . 20 1 1 A 73 73 ALA HA H 73 3.731 4.170 -0.439 1
1 775 . 20 1 1 A 73 73 ALA CA C 73 55.647 55.238 0.409 1
1 776 . 20 1 1 A 73 73 ALA CB C 73 17.460 18.302 -0.842 1
1 777 . 20 1 1 A 73 73 ALA N N 73 123.415 120.333 3.082 1
1 778 . 20 1 1 A 74 74 ILE H H 74 7.958 8.044 -0.086 1
1 779 . 20 1 1 A 74 74 ILE HA H 74 3.692 3.825 -0.133 1
1 789 . 20 1 1 A 74 74 ILE CA C 74 63.902 64.778 -0.876 1
1 790 . 20 1 1 A 74 74 ILE CB C 74 37.010 36.934 0.076 1
1 794 . 20 1 1 A 74 74 ILE N N 74 119.834 118.915 0.919 1
1 795 . 20 1 1 A 75 75 ASP H H 75 8.468 8.125 0.343 1
1 796 . 20 1 1 A 75 75 ASP HA H 75 4.282 4.357 -0.075 1
1 799 . 20 1 1 A 75 75 ASP CA C 75 58.107 57.363 0.744 1
1 800 . 20 1 1 A 75 75 ASP CB C 75 40.628 40.643 -0.015 1
1 801 . 20 1 1 A 75 75 ASP N N 75 122.091 122.122 -0.031 1
1 802 . 20 1 1 A 76 76 GLY H H 76 8.041 8.366 -0.325 1
1 803 . 20 1 1 A 76 76 GLY HA2 H 76 3.845 3.712 0.133 1
1 804 . 20 1 1 A 76 76 GLY HA3 H 76 3.863 3.717 0.146 1
1 805 . 20 1 1 A 76 76 GLY CA C 76 46.668 47.277 -0.609 1
1 806 . 20 1 1 A 76 76 GLY N N 76 108.081 107.431 0.650 1
1 807 . 20 1 1 A 77 77 LEU H H 77 8.088 7.958 0.130 1
1 808 . 20 1 1 A 77 77 LEU HA H 77 3.709 4.174 -0.465 1
1 818 . 20 1 1 A 77 77 LEU CA C 77 57.865 57.280 0.585 1
1 819 . 20 1 1 A 77 77 LEU CB C 77 41.828 41.626 0.202 1
1 823 . 20 1 1 A 77 77 LEU N N 77 126.711 123.039 3.672 1
1 824 . 20 1 1 A 78 78 ILE H H 78 8.155 8.016 0.139 1
1 825 . 20 1 1 A 78 78 ILE HA H 78 3.316 3.878 -0.562 1
1 835 . 20 1 1 A 78 78 ILE CA C 78 62.813 62.648 0.165 1
1 836 . 20 1 1 A 78 78 ILE CB C 78 34.810 37.740 -2.930 1
1 840 . 20 1 1 A 78 78 ILE N N 78 120.409 119.137 1.272 1
1 841 . 20 1 1 A 79 79 ASP H H 79 7.408 7.987 -0.579 1
1 842 . 20 1 1 A 79 79 ASP HA H 79 4.274 4.355 -0.081 1
1 845 . 20 1 1 A 79 79 ASP CA C 79 57.605 57.212 0.393 1
1 846 . 20 1 1 A 79 79 ASP CB C 79 41.017 41.041 -0.024 1
1 847 . 20 1 1 A 79 79 ASP N N 79 120.497 122.121 -1.624 1
1 848 . 20 1 1 A 80 80 LYS H H 80 7.536 7.919 -0.383 1
1 849 . 20 1 1 A 80 80 LYS HA H 80 3.931 4.053 -0.122 1
1 858 . 20 1 1 A 80 80 LYS CA C 80 59.952 59.008 0.944 1
1 859 . 20 1 1 A 80 80 LYS CB C 80 33.221 31.885 1.336 1
1 863 . 20 1 1 A 80 80 LYS N N 80 119.684 118.744 0.940 1
1 864 . 20 1 1 A 81 81 LEU H H 81 8.473 7.894 0.579 1
1 865 . 20 1 1 A 81 81 LEU HA H 81 3.765 3.918 -0.153 1
1 875 . 20 1 1 A 81 81 LEU CA C 81 57.564 57.846 -0.282 1
1 876 . 20 1 1 A 81 81 LEU CB C 81 42.473 41.524 0.949 1
1 880 . 20 1 1 A 81 81 LEU N N 81 121.519 120.757 0.762 1
1 881 . 20 1 1 A 82 82 ALA H H 82 8.682 8.188 0.494 1
1 882 . 20 1 1 A 82 82 ALA HA H 82 3.479 4.364 -0.885 1
1 886 . 20 1 1 A 82 82 ALA CA C 82 55.731 55.737 -0.006 1
1 887 . 20 1 1 A 82 82 ALA CB C 82 17.388 18.431 -1.043 1
1 888 . 20 1 1 A 82 82 ALA N N 82 123.814 121.252 2.562 1
1 889 . 20 1 1 A 83 83 ARG H H 83 7.329 7.832 -0.503 1
1 890 . 20 1 1 A 83 83 ARG HA H 83 3.981 4.072 -0.091 1
1 897 . 20 1 1 A 83 83 ARG CA C 83 59.137 59.703 -0.566 1
1 898 . 20 1 1 A 83 83 ARG CB C 83 29.971 30.094 -0.123 1
1 901 . 20 1 1 A 83 83 ARG N N 83 118.219 117.631 0.588 1
1 902 . 20 1 1 A 84 84 GLN H H 84 7.750 7.576 0.174 1
1 903 . 20 1 1 A 84 84 GLN HA H 84 4.047 4.078 -0.031 1
1 906 . 20 1 1 A 84 84 GLN CA C 84 58.685 58.354 0.331 1
1 907 . 20 1 1 A 84 84 GLN CB C 84 29.903 28.517 1.386 1
1 909 . 20 1 1 A 84 84 GLN N N 84 119.887 118.933 0.954 1
1 910 . 20 1 1 A 85 85 LEU H H 85 8.610 8.411 0.199 1
1 911 . 20 1 1 A 85 85 LEU HA H 85 3.788 3.399 0.389 1
1 920 . 20 1 1 A 85 85 LEU CA C 85 57.600 57.362 0.238 1
1 921 . 20 1 1 A 85 85 LEU CB C 85 41.178 40.823 0.355 1
1 925 . 20 1 1 A 85 85 LEU N N 85 122.951 120.044 2.907 1
1 926 . 20 1 1 A 86 86 THR H H 86 7.709 8.250 -0.541 1
1 927 . 20 1 1 A 86 86 THR HA H 86 4.056 4.085 -0.029 1
1 932 . 20 1 1 A 86 86 THR CA C 86 65.924 67.161 -1.237 1
1 933 . 20 1 1 A 86 86 THR CB C 86 68.870 68.029 0.841 1
1 935 . 20 1 1 A 86 86 THR N N 86 116.282 115.700 0.582 1
1 936 . 20 1 1 A 87 87 LYS H H 87 7.457 7.880 -0.423 1
1 937 . 20 1 1 A 87 87 LYS HA H 87 4.102 4.007 0.095 1
1 946 . 20 1 1 A 87 87 LYS CA C 87 58.289 59.439 -1.150 1
1 947 . 20 1 1 A 87 87 LYS CB C 87 32.293 32.513 -0.220 1
1 951 . 20 1 1 A 87 87 LYS N N 87 122.670 120.989 1.681 1
1 952 . 20 1 1 A 88 88 HIS H H 88 7.928 7.917 0.011 1
1 953 . 20 1 1 A 88 88 HIS HA H 88 4.301 4.324 -0.023 1
1 957 . 20 1 1 A 88 88 HIS CA C 88 58.361 58.792 -0.431 1
1 958 . 20 1 1 A 88 88 HIS CB C 88 30.766 28.458 2.308 1
1 960 . 20 1 1 A 88 88 HIS N N 88 121.382 117.315 4.067 1
1 961 . 20 1 1 A 89 89 LYS H H 89 7.928 8.011 -0.083 1
1 962 . 20 1 1 A 89 89 LYS HA H 89 3.934 4.100 -0.166 1
1 971 . 20 1 1 A 89 89 LYS CA C 89 58.568 58.969 -0.401 1
1 972 . 20 1 1 A 89 89 LYS CB C 89 32.489 31.977 0.512 1
1 976 . 20 1 1 A 89 89 LYS N N 89 121.821 121.221 0.600 1
1 977 . 20 1 1 A 90 90 ASP H H 90 8.143 7.818 0.325 1
1 978 . 20 1 1 A 90 90 ASP HA H 90 4.445 4.417 0.028 1
1 981 . 20 1 1 A 90 90 ASP CA C 90 55.869 56.884 -1.015 1
1 982 . 20 1 1 A 90 90 ASP CB C 90 40.715 40.162 0.553 1
1 983 . 20 1 1 A 90 90 ASP N N 90 121.199 118.393 2.806 1
1 984 . 20 1 1 A 91 91 LYS H H 91 7.867 7.744 0.123 1
1 985 . 20 1 1 A 91 91 LYS HA H 91 4.130 4.049 0.081 1
1 994 . 20 1 1 A 91 91 LYS CA C 91 57.421 59.124 -1.703 1
1 995 . 20 1 1 A 91 91 LYS CB C 91 32.365 32.538 -0.173 1
1 999 . 20 1 1 A 91 91 LYS N N 91 121.976 119.801 2.175 1
1 1000 . 20 1 1 A 92 92 LEU H H 92 7.709 7.725 -0.016 1
1 1001 . 20 1 1 A 92 92 LEU HA H 92 4.171 3.867 0.304 1
1 1011 . 20 1 1 A 92 92 LEU CA C 92 55.449 57.983 -2.534 1
1 1012 . 20 1 1 A 92 92 LEU CB C 92 41.871 41.527 0.344 1
1 1016 . 20 1 1 A 92 92 LEU N N 92 121.802 118.946 2.856 1
1 1017 . 20 1 1 A 93 93 LYS H H 93 7.751 7.925 -0.174 1
1 1018 . 20 1 1 A 93 93 LYS HA H 93 4.197 3.915 0.282 1
1 1027 . 20 1 1 A 93 93 LYS CA C 93 56.420 57.216 -0.796 1
1 1028 . 20 1 1 A 93 93 LYS CB C 93 32.792 29.877 2.915 1
1 1032 . 20 1 1 A 93 93 LYS N N 93 121.954 117.066 4.888 1
1 1033 . 20 1 1 A 94 94 GLN H H 94 8.129 8.219 -0.090 1
1 1034 . 20 1 1 A 94 94 GLN HA H 94 4.208 3.952 0.256 1
1 1039 . 20 1 1 A 94 94 GLN CA C 94 55.891 58.274 -2.383 1
1 1040 . 20 1 1 A 94 94 GLN CB C 94 29.236 27.812 1.424 1
1 1042 . 20 1 1 A 94 94 GLN N N 94 123.165 116.749 6.416 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 0 0.000 1
2 1 1 1 "RMS(OBS, PRED)" CA 93 0.991 1
3 1 1 1 "RMS(OBS, PRED)" CB 88 1.147 1
4 1 1 1 "RMS(OBS, PRED)" H 93 0.457 1
5 1 1 1 "RMS(OBS, PRED)" HA 98 0.407 1
6 1 1 1 "RMS(OBS, PRED)" N 93 3.270 1
7 1 2 1 "RMS(OBS, PRED)" C 0 0.000 1
8 1 2 1 "RMS(OBS, PRED)" CA 93 0.950 1
9 1 2 1 "RMS(OBS, PRED)" CB 88 1.364 1
10 1 2 1 "RMS(OBS, PRED)" H 93 0.483 1
11 1 2 1 "RMS(OBS, PRED)" HA 98 0.433 1
12 1 2 1 "RMS(OBS, PRED)" N 93 3.500 1
13 1 3 1 "RMS(OBS, PRED)" C 0 0.000 1
14 1 3 1 "RMS(OBS, PRED)" CA 93 1.019 1
15 1 3 1 "RMS(OBS, PRED)" CB 88 1.295 1
16 1 3 1 "RMS(OBS, PRED)" H 93 0.500 1
17 1 3 1 "RMS(OBS, PRED)" HA 98 0.404 1
18 1 3 1 "RMS(OBS, PRED)" N 93 3.197 1
19 1 4 1 "RMS(OBS, PRED)" C 0 0.000 1
20 1 4 1 "RMS(OBS, PRED)" CA 93 1.003 1
21 1 4 1 "RMS(OBS, PRED)" CB 88 1.383 1
22 1 4 1 "RMS(OBS, PRED)" H 93 0.523 1
23 1 4 1 "RMS(OBS, PRED)" HA 98 0.412 1
24 1 4 1 "RMS(OBS, PRED)" N 93 3.677 1
25 1 5 1 "RMS(OBS, PRED)" C 0 0.000 1
26 1 5 1 "RMS(OBS, PRED)" CA 93 0.981 1
27 1 5 1 "RMS(OBS, PRED)" CB 88 1.218 1
28 1 5 1 "RMS(OBS, PRED)" H 93 0.486 1
29 1 5 1 "RMS(OBS, PRED)" HA 98 0.412 1
30 1 5 1 "RMS(OBS, PRED)" N 93 3.427 1
31 1 6 1 "RMS(OBS, PRED)" C 0 0.000 1
32 1 6 1 "RMS(OBS, PRED)" CA 93 1.056 1
33 1 6 1 "RMS(OBS, PRED)" CB 88 1.280 1
34 1 6 1 "RMS(OBS, PRED)" H 93 0.511 1
35 1 6 1 "RMS(OBS, PRED)" HA 98 0.402 1
36 1 6 1 "RMS(OBS, PRED)" N 93 3.500 1
37 1 7 1 "RMS(OBS, PRED)" C 0 0.000 1
38 1 7 1 "RMS(OBS, PRED)" CA 93 0.992 1
39 1 7 1 "RMS(OBS, PRED)" CB 88 1.238 1
40 1 7 1 "RMS(OBS, PRED)" H 93 0.499 1
41 1 7 1 "RMS(OBS, PRED)" HA 98 0.445 1
42 1 7 1 "RMS(OBS, PRED)" N 93 3.487 1
43 1 8 1 "RMS(OBS, PRED)" C 0 0.000 1
44 1 8 1 "RMS(OBS, PRED)" CA 93 0.966 1
45 1 8 1 "RMS(OBS, PRED)" CB 88 1.303 1
46 1 8 1 "RMS(OBS, PRED)" H 93 0.510 1
47 1 8 1 "RMS(OBS, PRED)" HA 98 0.425 1
48 1 8 1 "RMS(OBS, PRED)" N 93 3.177 1
49 1 9 1 "RMS(OBS, PRED)" C 0 0.000 1
50 1 9 1 "RMS(OBS, PRED)" CA 93 1.051 1
51 1 9 1 "RMS(OBS, PRED)" CB 88 1.289 1
52 1 9 1 "RMS(OBS, PRED)" H 93 0.492 1
53 1 9 1 "RMS(OBS, PRED)" HA 98 0.403 1
54 1 9 1 "RMS(OBS, PRED)" N 93 3.597 1
55 1 10 1 "RMS(OBS, PRED)" C 0 0.000 1
56 1 10 1 "RMS(OBS, PRED)" CA 93 0.993 1
57 1 10 1 "RMS(OBS, PRED)" CB 88 1.283 1
58 1 10 1 "RMS(OBS, PRED)" H 93 0.475 1
59 1 10 1 "RMS(OBS, PRED)" HA 98 0.403 1
60 1 10 1 "RMS(OBS, PRED)" N 93 3.397 1
61 1 11 1 "RMS(OBS, PRED)" C 0 0.000 1
62 1 11 1 "RMS(OBS, PRED)" CA 93 0.925 1
63 1 11 1 "RMS(OBS, PRED)" CB 88 1.337 1
64 1 11 1 "RMS(OBS, PRED)" H 93 0.511 1
65 1 11 1 "RMS(OBS, PRED)" HA 98 0.394 1
66 1 11 1 "RMS(OBS, PRED)" N 93 3.285 1
67 1 12 1 "RMS(OBS, PRED)" C 0 0.000 1
68 1 12 1 "RMS(OBS, PRED)" CA 93 0.961 1
69 1 12 1 "RMS(OBS, PRED)" CB 88 1.288 1
70 1 12 1 "RMS(OBS, PRED)" H 93 0.486 1
71 1 12 1 "RMS(OBS, PRED)" HA 98 0.422 1
72 1 12 1 "RMS(OBS, PRED)" N 93 3.372 1
73 1 13 1 "RMS(OBS, PRED)" C 0 0.000 1
74 1 13 1 "RMS(OBS, PRED)" CA 93 1.019 1
75 1 13 1 "RMS(OBS, PRED)" CB 88 1.225 1
76 1 13 1 "RMS(OBS, PRED)" H 93 0.477 1
77 1 13 1 "RMS(OBS, PRED)" HA 98 0.408 1
78 1 13 1 "RMS(OBS, PRED)" N 93 3.404 1
79 1 14 1 "RMS(OBS, PRED)" C 0 0.000 1
80 1 14 1 "RMS(OBS, PRED)" CA 93 1.049 1
81 1 14 1 "RMS(OBS, PRED)" CB 88 1.154 1
82 1 14 1 "RMS(OBS, PRED)" H 93 0.499 1
83 1 14 1 "RMS(OBS, PRED)" HA 98 0.399 1
84 1 14 1 "RMS(OBS, PRED)" N 93 3.325 1
85 1 15 1 "RMS(OBS, PRED)" C 0 0.000 1
86 1 15 1 "RMS(OBS, PRED)" CA 93 0.973 1
87 1 15 1 "RMS(OBS, PRED)" CB 88 1.198 1
88 1 15 1 "RMS(OBS, PRED)" H 93 0.509 1
89 1 15 1 "RMS(OBS, PRED)" HA 98 0.404 1
90 1 15 1 "RMS(OBS, PRED)" N 93 3.259 1
91 1 16 1 "RMS(OBS, PRED)" C 0 0.000 1
92 1 16 1 "RMS(OBS, PRED)" CA 93 0.991 1
93 1 16 1 "RMS(OBS, PRED)" CB 88 1.271 1
94 1 16 1 "RMS(OBS, PRED)" H 93 0.472 1
95 1 16 1 "RMS(OBS, PRED)" HA 98 0.421 1
96 1 16 1 "RMS(OBS, PRED)" N 93 3.333 1
97 1 17 1 "RMS(OBS, PRED)" C 0 0.000 1
98 1 17 1 "RMS(OBS, PRED)" CA 93 1.077 1
99 1 17 1 "RMS(OBS, PRED)" CB 88 1.205 1
100 1 17 1 "RMS(OBS, PRED)" H 93 0.493 1
101 1 17 1 "RMS(OBS, PRED)" HA 98 0.401 1
102 1 17 1 "RMS(OBS, PRED)" N 93 3.362 1
103 1 18 1 "RMS(OBS, PRED)" C 0 0.000 1
104 1 18 1 "RMS(OBS, PRED)" CA 93 1.060 1
105 1 18 1 "RMS(OBS, PRED)" CB 88 1.253 1
106 1 18 1 "RMS(OBS, PRED)" H 93 0.508 1
107 1 18 1 "RMS(OBS, PRED)" HA 98 0.420 1
108 1 18 1 "RMS(OBS, PRED)" N 93 3.409 1
109 1 19 1 "RMS(OBS, PRED)" C 0 0.000 1
110 1 19 1 "RMS(OBS, PRED)" CA 93 1.044 1
111 1 19 1 "RMS(OBS, PRED)" CB 88 1.256 1
112 1 19 1 "RMS(OBS, PRED)" H 93 0.544 1
113 1 19 1 "RMS(OBS, PRED)" HA 98 0.416 1
114 1 19 1 "RMS(OBS, PRED)" N 93 3.478 1
115 1 20 1 "RMS(OBS, PRED)" C 0 0.000 1
116 1 20 1 "RMS(OBS, PRED)" CA 93 1.041 1
117 1 20 1 "RMS(OBS, PRED)" CB 88 1.224 1
118 1 20 1 "RMS(OBS, PRED)" H 93 0.476 1
119 1 20 1 "RMS(OBS, PRED)" HA 98 0.414 1
120 1 20 1 "RMS(OBS, PRED)" N 93 3.712 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 GLN H H 2 7.809 7.977 -0.168 2
1 2 . 1 1 A 2 2 GLN HA H 2 4.394 4.626 -0.232 2
1 7 . 1 1 A 2 2 GLN CA C 2 55.124 55.232 -0.108 2
1 8 . 1 1 A 2 2 GLN CB C 2 30.385 29.701 0.684 2
1 10 . 1 1 A 2 2 GLN N N 2 126.586 119.008 7.578 2
1 11 . 1 1 A 3 3 LEU H H 3 8.598 8.434 0.164 2
1 12 . 1 1 A 3 3 LEU HA H 3 4.380 5.280 -0.900 2
1 22 . 1 1 A 3 3 LEU CA C 3 54.590 52.728 1.862 2
1 23 . 1 1 A 3 3 LEU CB C 3 43.701 44.956 -1.255 2
1 27 . 1 1 A 3 3 LEU N N 3 128.942 119.409 9.533 2
1 28 . 1 1 A 4 4 ASN H H 4 8.227 8.822 -0.595 2
1 29 . 1 1 A 4 4 ASN HA H 4 4.864 5.379 -0.515 2
1 32 . 1 1 A 4 4 ASN CA C 4 52.628 51.861 0.767 2
1 33 . 1 1 A 4 4 ASN CB C 4 41.258 42.711 -1.453 2
1 34 . 1 1 A 4 4 ASN N N 4 127.137 118.344 8.793 2
1 35 . 1 1 A 5 5 ILE H H 5 8.659 8.667 -0.008 2
1 36 . 1 1 A 5 5 ILE HA H 5 4.901 5.233 -0.332 2
1 46 . 1 1 A 5 5 ILE CA C 5 60.288 59.481 0.807 2
1 47 . 1 1 A 5 5 ILE CB C 5 40.902 41.524 -0.622 2
1 51 . 1 1 A 5 5 ILE N N 5 126.355 120.065 6.290 2
1 52 . 1 1 A 6 6 THR H H 6 8.796 8.748 0.048 2
1 53 . 1 1 A 6 6 THR HA H 6 4.654 4.888 -0.234 2
1 58 . 1 1 A 6 6 THR CA C 6 60.751 60.815 -0.064 2
1 59 . 1 1 A 6 6 THR CB C 6 71.993 71.564 0.429 2
1 61 . 1 1 A 6 6 THR N N 6 123.546 119.633 3.913 2
1 62 . 1 1 A 7 7 GLY H H 7 8.833 9.137 -0.304 2
1 63 . 1 1 A 7 7 GLY HA2 H 7 3.764 4.226 -0.462 2
1 64 . 1 1 A 7 7 GLY HA3 H 7 5.071 4.232 0.839 2
1 65 . 1 1 A 7 7 GLY CA C 7 44.318 44.655 -0.337 2
1 66 . 1 1 A 7 7 GLY N N 7 112.240 114.638 -2.398 2
1 67 . 1 1 A 8 8 ASN H H 8 8.962 8.417 0.545 2
1 68 . 1 1 A 8 8 ASN HA H 8 4.828 5.282 -0.454 2
1 71 . 1 1 A 8 8 ASN CA C 8 52.799 52.210 0.589 2
1 72 . 1 1 A 8 8 ASN CB C 8 39.244 39.259 -0.015 2
1 73 . 1 1 A 8 8 ASN N N 8 124.384 119.796 4.587 2
1 74 . 1 1 A 9 9 ASN H H 9 8.756 9.072 -0.316 2
1 75 . 1 1 A 9 9 ASN HA H 9 4.248 4.331 -0.083 2
1 78 . 1 1 A 9 9 ASN CA C 9 53.998 54.291 -0.293 2
1 79 . 1 1 A 9 9 ASN CB C 9 37.231 37.645 -0.415 2
1 80 . 1 1 A 9 9 ASN N N 9 120.082 118.265 1.817 2
1 81 . 1 1 A 10 10 VAL H H 10 6.825 7.646 -0.821 2
1 82 . 1 1 A 10 10 VAL HA H 10 4.097 4.577 -0.480 2
1 90 . 1 1 A 10 10 VAL CA C 10 60.425 60.342 0.083 2
1 91 . 1 1 A 10 10 VAL CB C 10 34.765 35.331 -0.566 2
1 94 . 1 1 A 10 10 VAL N N 10 115.342 117.753 -2.411 2
1 95 . 1 1 A 11 11 GLU H H 11 8.347 8.598 -0.251 2
1 96 . 1 1 A 11 11 GLU HA H 11 4.174 4.632 -0.458 2
1 101 . 1 1 A 11 11 GLU CA C 11 55.442 56.100 -0.658 2
1 102 . 1 1 A 11 11 GLU CB C 11 30.114 30.430 -0.316 2
1 104 . 1 1 A 11 11 GLU N N 11 129.115 126.341 2.774 2
1 105 . 1 1 A 12 12 ILE H H 12 8.942 8.728 0.214 2
1 106 . 1 1 A 12 12 ILE HA H 12 4.034 4.362 -0.328 2
1 116 . 1 1 A 12 12 ILE CA C 12 58.894 61.316 -2.422 2
1 117 . 1 1 A 12 12 ILE CB C 12 33.240 36.990 -3.750 2
1 121 . 1 1 A 12 12 ILE N N 12 128.622 126.751 1.871 2
1 122 . 1 1 A 13 13 THR H H 13 6.818 8.115 -1.297 2
1 123 . 1 1 A 13 13 THR HA H 13 4.429 4.915 -0.486 2
1 128 . 1 1 A 13 13 THR CA C 13 60.052 59.800 0.252 2
1 129 . 1 1 A 13 13 THR CB C 13 70.842 71.175 -0.333 2
1 131 . 1 1 A 13 13 THR N N 13 119.687 119.444 0.243 2
1 132 . 1 1 A 14 14 GLU H H 14 8.969 9.032 -0.063 2
1 133 . 1 1 A 14 14 GLU HA H 14 4.024 4.003 0.021 2
1 138 . 1 1 A 14 14 GLU CA C 14 59.794 59.969 -0.175 2
1 139 . 1 1 A 14 14 GLU CB C 14 28.845 29.412 -0.567 2
1 141 . 1 1 A 14 14 GLU N N 14 123.290 122.707 0.583 2
1 142 . 1 1 A 15 15 ALA H H 15 8.334 7.874 0.460 2
1 143 . 1 1 A 15 15 ALA HA H 15 4.151 4.175 -0.024 2
1 147 . 1 1 A 15 15 ALA CA C 15 55.076 55.248 -0.172 2
1 148 . 1 1 A 15 15 ALA CB C 15 18.008 18.429 -0.421 2
1 149 . 1 1 A 15 15 ALA N N 15 121.958 122.176 -0.218 2
1 150 . 1 1 A 16 16 LEU H H 16 7.765 8.162 -0.397 2
1 151 . 1 1 A 16 16 LEU HA H 16 4.240 4.301 -0.061 2
1 161 . 1 1 A 16 16 LEU CA C 16 57.674 58.415 -0.741 2
1 162 . 1 1 A 16 16 LEU CB C 16 42.122 41.912 0.210 2
1 166 . 1 1 A 16 16 LEU N N 16 123.064 119.952 3.112 2
1 167 . 1 1 A 17 17 ARG H H 17 8.627 8.204 0.423 2
1 168 . 1 1 A 17 17 ARG HA H 17 3.595 4.076 -0.481 2
1 175 . 1 1 A 17 17 ARG CA C 17 60.573 59.074 1.499 2
1 176 . 1 1 A 17 17 ARG CB C 17 29.679 30.138 -0.459 2
1 179 . 1 1 A 17 17 ARG N N 17 121.878 118.203 3.675 2
1 180 . 1 1 A 18 18 GLU H H 18 8.665 8.259 0.406 2
1 181 . 1 1 A 18 18 GLU HA H 18 3.952 4.092 -0.140 2
1 186 . 1 1 A 18 18 GLU CA C 18 59.654 59.347 0.307 2
1 187 . 1 1 A 18 18 GLU CB C 18 29.301 29.516 -0.215 2
1 189 . 1 1 A 18 18 GLU N N 18 123.257 119.429 3.828 2
1 190 . 1 1 A 19 19 PHE H H 19 8.026 8.446 -0.420 2
1 191 . 1 1 A 19 19 PHE HA H 19 4.258 4.173 0.085 2
1 195 . 1 1 A 19 19 PHE CA C 19 61.640 61.122 0.518 2
1 196 . 1 1 A 19 19 PHE CB C 19 39.547 39.127 0.420 2
1 198 . 1 1 A 19 19 PHE N N 19 123.888 121.067 2.821 2
1 199 . 1 1 A 20 20 VAL H H 20 8.734 8.008 0.726 2
1 200 . 1 1 A 20 20 VAL HA H 20 3.336 3.596 -0.260 2
1 208 . 1 1 A 20 20 VAL CA C 20 67.245 66.499 0.746 2
1 209 . 1 1 A 20 20 VAL CB C 20 31.965 31.768 0.197 2
1 212 . 1 1 A 20 20 VAL N N 20 119.762 118.977 0.785 2
1 213 . 1 1 A 21 21 THR H H 21 8.213 8.217 -0.004 2
1 214 . 1 1 A 21 21 THR HA H 21 3.615 3.983 -0.368 2
1 218 . 1 1 A 21 21 THR CA C 21 67.657 66.348 1.309 2
1 219 . 1 1 A 21 21 THR CB C 21 68.697 68.346 0.351 2
1 221 . 1 1 A 21 21 THR N N 21 117.446 115.310 2.136 2
1 222 . 1 1 A 22 22 ALA H H 22 8.050 8.619 -0.569 2
1 223 . 1 1 A 22 22 ALA HA H 22 4.084 3.967 0.117 2
1 227 . 1 1 A 22 22 ALA CA C 22 54.998 55.554 -0.556 2
1 228 . 1 1 A 22 22 ALA CB C 22 17.880 18.506 -0.626 2
1 229 . 1 1 A 22 22 ALA N N 22 125.291 123.247 2.044 2
1 230 . 1 1 A 23 23 LYS H H 23 7.868 7.610 0.258 2
1 231 . 1 1 A 23 23 LYS HA H 23 3.886 3.924 -0.037 2
1 240 . 1 1 A 23 23 LYS CA C 23 57.286 58.891 -1.605 2
1 241 . 1 1 A 23 23 LYS CB C 23 30.651 32.346 -1.695 2
1 245 . 1 1 A 23 23 LYS N N 23 119.332 117.511 1.821 2
1 246 . 1 1 A 24 24 PHE H H 24 8.369 8.155 0.214 2
1 247 . 1 1 A 24 24 PHE HA H 24 3.805 4.413 -0.608 2
1 252 . 1 1 A 24 24 PHE CA C 24 62.055 60.314 1.741 2
1 253 . 1 1 A 24 24 PHE CB C 24 38.744 38.512 0.232 2
1 256 . 1 1 A 24 24 PHE N N 24 119.142 118.554 0.588 2
1 257 . 1 1 A 25 25 ALA H H 25 7.879 8.378 -0.499 2
1 258 . 1 1 A 25 25 ALA HA H 25 4.140 4.155 -0.015 2
1 262 . 1 1 A 25 25 ALA CA C 25 55.014 55.297 -0.283 2
1 263 . 1 1 A 25 25 ALA CB C 25 17.773 18.265 -0.492 2
1 264 . 1 1 A 25 25 ALA N N 25 123.500 121.803 1.697 2
1 265 . 1 1 A 26 26 LYS H H 26 7.217 7.579 -0.362 2
1 266 . 1 1 A 26 26 LYS HA H 26 4.024 3.878 0.146 2
1 275 . 1 1 A 26 26 LYS CA C 26 58.189 58.920 -0.731 2
1 276 . 1 1 A 26 26 LYS CB C 26 32.033 32.116 -0.083 2
1 280 . 1 1 A 26 26 LYS N N 26 118.541 118.317 0.224 2
1 281 . 1 1 A 27 27 LEU H H 27 7.773 7.727 0.046 2
1 282 . 1 1 A 27 27 LEU HA H 27 4.257 3.367 0.890 2
1 292 . 1 1 A 27 27 LEU CA C 27 55.889 56.260 -0.371 2
1 293 . 1 1 A 27 27 LEU CB C 27 41.083 41.719 -0.636 2
1 297 . 1 1 A 27 27 LEU N N 27 118.340 119.271 -0.931 2
1 298 . 1 1 A 28 28 GLU H H 28 7.296 8.265 -0.969 2
1 299 . 1 1 A 28 28 GLU HA H 28 3.489 4.322 -0.833 2
1 304 . 1 1 A 28 28 GLU CA C 28 58.336 58.766 -0.430 2
1 305 . 1 1 A 28 28 GLU CB C 28 29.265 29.485 -0.220 2
1 307 . 1 1 A 28 28 GLU N N 28 119.557 119.699 -0.142 2
1 308 . 1 1 A 29 29 GLN H H 29 7.783 7.618 0.165 2
1 309 . 1 1 A 29 29 GLN HA H 29 3.923 3.977 -0.054 2
1 314 . 1 1 A 29 29 GLN CA C 29 57.387 58.311 -0.924 2
1 315 . 1 1 A 29 29 GLN CB C 29 28.082 28.636 -0.554 2
1 317 . 1 1 A 29 29 GLN N N 29 117.927 119.506 -1.579 2
1 318 . 1 1 A 30 30 TYR H H 30 7.731 6.930 0.801 2
1 319 . 1 1 A 30 30 TYR HA H 30 4.433 4.484 -0.051 2
1 324 . 1 1 A 30 30 TYR CA C 30 58.371 57.878 0.493 2
1 325 . 1 1 A 30 30 TYR CB C 30 39.297 38.784 0.513 2
1 328 . 1 1 A 30 30 TYR N N 30 118.639 117.765 0.874 2
1 329 . 1 1 A 31 31 PHE H H 31 7.652 7.654 -0.002 2
1 330 . 1 1 A 31 31 PHE HA H 31 4.605 4.994 -0.389 2
1 334 . 1 1 A 31 31 PHE CA C 31 58.507 57.152 1.355 2
1 335 . 1 1 A 31 31 PHE CB C 31 40.438 40.529 -0.091 2
1 337 . 1 1 A 31 31 PHE N N 31 119.753 119.804 -0.051 2
1 338 . 1 1 A 32 32 ASP H H 32 8.087 8.898 -0.811 2
1 339 . 1 1 A 32 32 ASP HA H 32 4.465 4.931 -0.466 2
1 342 . 1 1 A 32 32 ASP CA C 32 55.094 54.553 0.541 2
1 343 . 1 1 A 32 32 ASP CB C 32 40.511 42.152 -1.641 2
1 344 . 1 1 A 32 32 ASP N N 32 121.865 124.162 -2.297 2
1 345 . 1 1 A 33 33 ARG H H 33 7.083 7.872 -0.789 2
1 346 . 1 1 A 33 33 ARG HA H 33 4.412 4.516 -0.104 2
1 353 . 1 1 A 33 33 ARG CA C 33 55.082 55.614 -0.532 2
1 354 . 1 1 A 33 33 ARG CB C 33 30.409 28.769 1.640 2
1 357 . 1 1 A 33 33 ARG N N 33 119.603 117.280 2.323 2
1 358 . 1 1 A 34 34 ILE H H 34 8.139 8.033 0.106 2
1 359 . 1 1 A 34 34 ILE HA H 34 4.051 4.823 -0.772 2
1 369 . 1 1 A 34 34 ILE CA C 34 61.543 60.718 0.825 2
1 370 . 1 1 A 34 34 ILE CB C 34 39.510 40.965 -1.455 2
1 374 . 1 1 A 34 34 ILE N N 34 123.576 123.737 -0.161 2
1 375 . 1 1 A 35 35 ASN H H 35 8.560 8.824 -0.264 2
1 376 . 1 1 A 35 35 ASN HA H 35 4.870 4.915 -0.045 2
1 379 . 1 1 A 35 35 ASN CA C 35 53.877 54.106 -0.229 2
1 380 . 1 1 A 35 35 ASN CB C 35 38.806 39.485 -0.679 2
1 381 . 1 1 A 35 35 ASN N N 35 126.934 121.582 5.352 2
1 382 . 1 1 A 36 36 GLN H H 36 7.843 7.894 -0.051 2
1 383 . 1 1 A 36 36 GLN HA H 36 4.519 5.151 -0.632 2
1 388 . 1 1 A 36 36 GLN CA C 36 56.345 54.324 2.021 2
1 389 . 1 1 A 36 36 GLN CB C 36 31.240 31.220 0.020 2
1 391 . 1 1 A 36 36 GLN N N 36 120.673 118.106 2.567 2
1 392 . 1 1 A 37 37 VAL H H 37 8.330 8.794 -0.464 2
1 393 . 1 1 A 37 37 VAL HA H 37 4.693 4.881 -0.188 2
1 401 . 1 1 A 37 37 VAL CA C 37 60.789 60.773 0.016 2
1 402 . 1 1 A 37 37 VAL CB C 37 34.740 34.676 0.064 2
1 405 . 1 1 A 37 37 VAL N N 37 123.403 124.822 -1.419 2
1 406 . 1 1 A 38 38 TYR H H 38 8.943 8.037 0.906 2
1 407 . 1 1 A 38 38 TYR HA H 38 5.039 6.083 -1.044 2
1 412 . 1 1 A 38 38 TYR CA C 38 57.028 55.302 1.726 2
1 413 . 1 1 A 38 38 TYR CB C 38 39.705 42.159 -2.454 2
1 416 . 1 1 A 38 38 TYR N N 38 129.202 122.451 6.751 2
1 417 . 1 1 A 39 39 VAL H H 39 9.053 8.627 0.426 2
1 418 . 1 1 A 39 39 VAL HA H 39 5.048 5.126 -0.078 2
1 426 . 1 1 A 39 39 VAL CA C 39 60.685 60.615 0.070 2
1 427 . 1 1 A 39 39 VAL CB C 39 34.107 35.412 -1.305 2
1 430 . 1 1 A 39 39 VAL N N 39 127.771 122.736 5.035 2
1 431 . 1 1 A 40 40 VAL H H 40 9.276 8.816 0.461 2
1 432 . 1 1 A 40 40 VAL HA H 40 4.862 5.029 -0.167 2
1 440 . 1 1 A 40 40 VAL CA C 40 60.896 60.911 -0.015 2
1 441 . 1 1 A 40 40 VAL CB C 40 34.411 35.754 -1.343 2
1 444 . 1 1 A 40 40 VAL N N 40 130.939 126.263 4.676 2
1 445 . 1 1 A 41 41 LEU H H 41 8.714 8.737 -0.023 2
1 446 . 1 1 A 41 41 LEU HA H 41 5.111 5.588 -0.477 2
1 456 . 1 1 A 41 41 LEU CA C 41 53.150 52.986 0.164 2
1 457 . 1 1 A 41 41 LEU CB C 41 42.538 45.201 -2.663 2
1 461 . 1 1 A 41 41 LEU N N 41 130.200 125.269 4.931 2
1 462 . 1 1 A 42 42 LYS H H 42 8.955 9.809 -0.854 2
1 463 . 1 1 A 42 42 LYS HA H 42 5.180 5.529 -0.349 2
1 472 . 1 1 A 42 42 LYS CA C 42 55.017 54.791 0.226 2
1 473 . 1 1 A 42 42 LYS CB C 42 36.649 34.553 2.096 2
1 477 . 1 1 A 42 42 LYS N N 42 124.155 123.213 0.942 2
1 478 . 1 1 A 43 43 VAL H H 43 7.515 8.447 -0.932 2
1 479 . 1 1 A 43 43 VAL HA H 43 4.360 4.453 -0.093 2
1 487 . 1 1 A 43 43 VAL CA C 43 61.230 61.166 0.064 2
1 488 . 1 1 A 43 43 VAL CB C 43 33.656 33.221 0.434 2
1 491 . 1 1 A 43 43 VAL N N 43 124.332 125.287 -0.955 2
1 492 . 1 1 A 44 44 GLU H H 44 8.092 8.244 -0.152 2
1 493 . 1 1 A 44 44 GLU HA H 44 4.368 4.774 -0.406 2
1 498 . 1 1 A 44 44 GLU CA C 44 55.445 54.331 1.113 2
1 499 . 1 1 A 44 44 GLU CB C 44 31.404 33.144 -1.740 2
1 501 . 1 1 A 44 44 GLU N N 44 130.594 125.995 4.599 2
1 502 . 1 1 A 45 45 LYS H H 45 8.982 8.714 0.268 2
1 503 . 1 1 A 45 45 LYS HA H 45 3.695 3.924 -0.229 2
1 512 . 1 1 A 45 45 LYS CA C 45 59.588 58.884 0.704 2
1 513 . 1 1 A 45 45 LYS CB C 45 30.077 32.124 -2.047 2
1 517 . 1 1 A 45 45 LYS N N 45 125.587 121.002 4.585 2
1 518 . 1 1 A 46 46 VAL H H 46 7.710 7.421 0.289 2
1 519 . 1 1 A 46 46 VAL HA H 46 4.346 4.051 0.295 2
1 527 . 1 1 A 46 46 VAL CA C 46 61.342 64.241 -2.899 2
1 528 . 1 1 A 46 46 VAL CB C 46 31.917 31.955 -0.038 2
1 531 . 1 1 A 46 46 VAL N N 46 115.763 117.065 -1.302 2
1 532 . 1 1 A 47 47 THR H H 47 8.151 7.785 0.366 2
1 533 . 1 1 A 47 47 THR HA H 47 4.397 5.231 -0.834 2
1 538 . 1 1 A 47 47 THR CA C 47 63.072 61.165 1.907 2
1 539 . 1 1 A 47 47 THR CB C 47 69.615 72.079 -2.464 2
1 541 . 1 1 A 47 47 THR N N 47 120.888 112.600 8.288 2
1 542 . 1 1 A 48 48 HIS H H 48 8.753 9.091 -0.338 2
1 543 . 1 1 A 48 48 HIS HA H 48 4.826 5.269 -0.443 2
1 547 . 1 1 A 48 48 HIS CA C 48 55.978 55.119 0.859 2
1 548 . 1 1 A 48 48 HIS CB C 48 30.476 31.159 -0.683 2
1 550 . 1 1 A 48 48 HIS N N 48 130.755 123.196 7.559 2
1 551 . 1 1 A 49 49 THR H H 49 9.136 8.503 0.633 2
1 552 . 1 1 A 49 49 THR HA H 49 5.245 5.118 0.127 2
1 557 . 1 1 A 49 49 THR CA C 49 60.941 61.192 -0.251 2
1 558 . 1 1 A 49 49 THR CB C 49 71.411 71.586 -0.175 2
1 560 . 1 1 A 49 49 THR N N 49 118.522 117.461 1.061 2
1 561 . 1 1 A 50 50 SER H H 50 9.050 8.966 0.084 2
1 562 . 1 1 A 50 50 SER HA H 50 5.348 5.646 -0.298 2
1 565 . 1 1 A 50 50 SER CA C 50 55.645 56.874 -1.229 2
1 566 . 1 1 A 50 50 SER CB C 50 66.579 66.244 0.335 2
1 567 . 1 1 A 50 50 SER N N 50 119.749 120.245 -0.496 2
1 568 . 1 1 A 51 51 ASP H H 51 8.843 9.547 -0.704 2
1 569 . 1 1 A 51 51 ASP HA H 51 5.363 5.799 -0.436 2
1 572 . 1 1 A 51 51 ASP CA C 51 52.879 52.282 0.597 2
1 573 . 1 1 A 51 51 ASP CB C 51 45.173 44.791 0.382 2
1 574 . 1 1 A 51 51 ASP N N 51 126.330 121.525 4.804 2
1 575 . 1 1 A 52 52 ALA H H 52 8.938 9.342 -0.404 2
1 576 . 1 1 A 52 52 ALA HA H 52 5.777 5.164 0.613 2
1 580 . 1 1 A 52 52 ALA CA C 52 50.806 51.248 -0.442 2
1 581 . 1 1 A 52 52 ALA CB C 52 24.676 21.715 2.961 2
1 582 . 1 1 A 52 52 ALA N N 52 122.789 122.091 0.698 2
1 583 . 1 1 A 53 53 THR H H 53 8.666 8.524 0.142 2
1 584 . 1 1 A 53 53 THR HA H 53 4.979 4.963 0.016 2
1 589 . 1 1 A 53 53 THR CA C 53 62.026 61.424 0.602 2
1 590 . 1 1 A 53 53 THR CB C 53 70.850 69.372 1.478 2
1 592 . 1 1 A 53 53 THR N N 53 118.344 117.642 0.702 2
1 593 . 1 1 A 54 54 LEU H H 54 9.662 8.838 0.824 2
1 594 . 1 1 A 54 54 LEU HA H 54 4.921 5.027 -0.106 2
1 604 . 1 1 A 54 54 LEU CA C 54 53.923 53.903 0.020 2
1 605 . 1 1 A 54 54 LEU CB C 54 43.782 44.223 -0.441 2
1 609 . 1 1 A 54 54 LEU N N 54 129.166 127.570 1.596 2
1 610 . 1 1 A 55 55 HIS H H 55 8.956 9.103 -0.147 2
1 611 . 1 1 A 55 55 HIS HA H 55 4.882 5.165 -0.283 2
1 615 . 1 1 A 55 55 HIS CA C 55 56.326 54.945 1.381 2
1 616 . 1 1 A 55 55 HIS CB C 55 30.431 31.742 -1.311 2
1 618 . 1 1 A 55 55 HIS N N 55 126.094 121.901 4.193 2
1 619 . 1 1 A 56 56 VAL H H 56 8.151 8.772 -0.621 2
1 620 . 1 1 A 56 56 VAL HA H 56 4.856 4.554 0.302 2
1 628 . 1 1 A 56 56 VAL CA C 56 58.734 59.918 -1.184 2
1 629 . 1 1 A 56 56 VAL CB C 56 34.523 34.480 0.043 2
1 632 . 1 1 A 56 56 VAL N N 56 120.242 120.778 -0.536 2
1 633 . 1 1 A 57 57 ASN H H 57 8.970 8.865 0.105 2
1 634 . 1 1 A 57 57 ASN HA H 57 4.463 4.389 0.074 2
1 637 . 1 1 A 57 57 ASN CA C 57 54.963 55.570 -0.607 2
1 638 . 1 1 A 57 57 ASN CB C 57 37.481 37.798 -0.318 2
1 639 . 1 1 A 57 57 ASN N N 57 124.652 122.899 1.753 2
1 640 . 1 1 A 58 58 GLY H H 58 8.868 8.406 0.462 2
1 641 . 1 1 A 58 58 GLY HA2 H 58 3.814 3.983 -0.169 2
1 642 . 1 1 A 58 58 GLY HA3 H 58 4.152 3.990 0.162 2
1 643 . 1 1 A 58 58 GLY CA C 58 45.606 45.387 0.219 2
1 644 . 1 1 A 58 58 GLY N N 58 112.816 109.633 3.183 2
1 645 . 1 1 A 59 59 GLY H H 59 7.848 7.720 0.128 2
1 646 . 1 1 A 59 59 GLY HA2 H 59 3.978 4.014 -0.036 2
1 647 . 1 1 A 59 59 GLY HA3 H 59 4.153 4.041 0.112 2
1 648 . 1 1 A 59 59 GLY CA C 59 45.321 45.123 0.198 2
1 649 . 1 1 A 59 59 GLY N N 59 109.857 107.839 2.018 2
1 650 . 1 1 A 60 60 GLU H H 60 8.262 8.628 -0.366 2
1 651 . 1 1 A 60 60 GLU HA H 60 5.110 4.918 0.192 2
1 656 . 1 1 A 60 60 GLU CA C 60 54.756 54.748 0.008 2
1 657 . 1 1 A 60 60 GLU CB C 60 32.933 33.223 -0.290 2
1 659 . 1 1 A 60 60 GLU N N 60 121.732 120.203 1.529 2
1 660 . 1 1 A 61 61 ILE H H 61 8.764 8.675 0.089 2
1 661 . 1 1 A 61 61 ILE HA H 61 4.286 4.830 -0.544 2
1 671 . 1 1 A 61 61 ILE CA C 61 59.713 60.213 -0.500 2
1 672 . 1 1 A 61 61 ILE CB C 61 41.194 39.687 1.507 2
1 676 . 1 1 A 61 61 ILE N N 61 124.817 124.228 0.589 2
1 677 . 1 1 A 62 62 HIS H H 62 8.907 8.876 0.031 2
1 678 . 1 1 A 62 62 HIS HA H 62 5.743 5.243 0.500 2
1 682 . 1 1 A 62 62 HIS CA C 62 54.009 53.615 0.394 2
1 683 . 1 1 A 62 62 HIS CB C 62 32.365 33.121 -0.756 2
1 685 . 1 1 A 62 62 HIS N N 62 127.338 126.923 0.415 2
1 686 . 1 1 A 63 63 ALA H H 63 8.298 9.134 -0.836 2
1 687 . 1 1 A 63 63 ALA HA H 63 4.480 5.284 -0.804 2
1 691 . 1 1 A 63 63 ALA CA C 63 51.764 50.362 1.402 2
1 692 . 1 1 A 63 63 ALA CB C 63 23.678 23.501 0.177 2
1 693 . 1 1 A 63 63 ALA N N 63 125.511 130.207 -4.696 2
1 694 . 1 1 A 64 64 SER H H 64 8.070 8.771 -0.701 2
1 695 . 1 1 A 64 64 SER HA H 64 5.286 5.464 -0.178 2
1 698 . 1 1 A 64 64 SER CA C 64 56.782 57.163 -0.381 2
1 699 . 1 1 A 64 64 SER CB C 64 65.895 66.067 -0.172 2
1 700 . 1 1 A 64 64 SER N N 64 114.469 114.225 0.244 2
1 701 . 1 1 A 65 65 ALA H H 65 8.904 9.054 -0.150 2
1 702 . 1 1 A 65 65 ALA HA H 65 4.669 5.267 -0.598 2
1 706 . 1 1 A 65 65 ALA CA C 65 51.753 50.595 1.158 2
1 707 . 1 1 A 65 65 ALA CB C 65 22.599 23.609 -1.010 2
1 708 . 1 1 A 65 65 ALA N N 65 126.977 125.224 1.753 2
1 709 . 1 1 A 66 66 GLU H H 66 8.200 8.909 -0.709 2
1 710 . 1 1 A 66 66 GLU HA H 66 5.680 5.294 0.386 2
1 715 . 1 1 A 66 66 GLU CA C 66 53.650 54.713 -1.063 2
1 716 . 1 1 A 66 66 GLU CB C 66 33.741 33.829 -0.088 2
1 718 . 1 1 A 66 66 GLU N N 66 119.267 117.843 1.424 2
1 719 . 1 1 A 67 67 GLY H H 67 8.836 8.326 0.510 2
1 720 . 1 1 A 67 67 GLY HA2 H 67 4.490 4.253 0.237 2
1 721 . 1 1 A 67 67 GLY HA3 H 67 3.728 4.258 -0.530 2
1 722 . 1 1 A 67 67 GLY CA C 67 45.157 45.371 -0.214 2
1 723 . 1 1 A 67 67 GLY N N 67 108.048 107.575 0.473 2
1 724 . 1 1 A 68 68 GLN H H 68 8.997 8.507 0.490 2
1 725 . 1 1 A 68 68 GLN HA H 68 4.440 4.159 0.281 2
1 730 . 1 1 A 68 68 GLN CA C 68 56.996 57.429 -0.433 2
1 731 . 1 1 A 68 68 GLN CB C 68 28.694 29.810 -1.116 2
1 733 . 1 1 A 68 68 GLN N N 68 119.961 119.790 0.171 2
1 734 . 1 1 A 69 69 ASP H H 69 7.542 7.441 0.101 2
1 735 . 1 1 A 69 69 ASP HA H 69 3.242 3.820 -0.578 2
1 738 . 1 1 A 69 69 ASP CA C 69 51.838 52.446 -0.608 2
1 739 . 1 1 A 69 69 ASP CB C 69 42.829 42.397 0.432 2
1 740 . 1 1 A 69 69 ASP N N 69 115.279 114.512 0.767 2
1 741 . 1 1 A 70 70 MET H H 70 8.409 8.679 -0.270 2
1 742 . 1 1 A 70 70 MET HA H 70 4.200 4.250 -0.050 2
1 747 . 1 1 A 70 70 MET CA C 70 56.505 58.572 -2.067 2
1 748 . 1 1 A 70 70 MET CB C 70 31.533 32.181 -0.648 2
1 750 . 1 1 A 70 70 MET N N 70 120.495 118.526 1.969 2
1 751 . 1 1 A 71 71 TYR H H 71 7.304 7.567 -0.263 2
1 752 . 1 1 A 71 71 TYR HA H 71 3.832 4.255 -0.423 2
1 757 . 1 1 A 71 71 TYR CA C 71 60.141 60.679 -0.539 2
1 758 . 1 1 A 71 71 TYR CB C 71 35.788 38.168 -2.380 2
1 761 . 1 1 A 71 71 TYR N N 71 120.024 118.222 1.802 2
1 762 . 1 1 A 72 72 ALA H H 72 8.474 8.576 -0.102 2
1 763 . 1 1 A 72 72 ALA HA H 72 4.213 3.998 0.215 2
1 767 . 1 1 A 72 72 ALA CA C 72 54.526 55.194 -0.667 2
1 768 . 1 1 A 72 72 ALA CB C 72 18.884 18.224 0.660 2
1 769 . 1 1 A 72 72 ALA N N 72 123.384 122.720 0.664 2
1 770 . 1 1 A 73 73 ALA H H 73 7.595 8.067 -0.472 2
1 771 . 1 1 A 73 73 ALA HA H 73 3.731 4.154 -0.423 2
1 775 . 1 1 A 73 73 ALA CA C 73 55.647 54.794 0.853 2
1 776 . 1 1 A 73 73 ALA CB C 73 17.460 18.539 -1.079 2
1 777 . 1 1 A 73 73 ALA N N 73 123.415 120.061 3.354 2
1 778 . 1 1 A 74 74 ILE H H 74 7.958 7.811 0.147 2
1 779 . 1 1 A 74 74 ILE HA H 74 3.692 3.827 -0.135 2
1 789 . 1 1 A 74 74 ILE CA C 74 63.902 64.885 -0.983 2
1 790 . 1 1 A 74 74 ILE CB C 74 37.010 37.080 -0.070 2
1 794 . 1 1 A 74 74 ILE N N 74 119.834 119.110 0.724 2
1 795 . 1 1 A 75 75 ASP H H 75 8.468 8.325 0.143 2
1 796 . 1 1 A 75 75 ASP HA H 75 4.282 4.375 -0.093 2
1 799 . 1 1 A 75 75 ASP CA C 75 58.107 57.400 0.707 2
1 800 . 1 1 A 75 75 ASP CB C 75 40.628 40.690 -0.062 2
1 801 . 1 1 A 75 75 ASP N N 75 122.091 121.798 0.293 2
1 802 . 1 1 A 76 76 GLY H H 76 8.041 8.207 -0.166 2
1 803 . 1 1 A 76 76 GLY HA2 H 76 3.845 3.722 0.123 2
1 804 . 1 1 A 76 76 GLY HA3 H 76 3.863 3.726 0.137 2
1 805 . 1 1 A 76 76 GLY CA C 76 46.668 47.227 -0.559 2
1 806 . 1 1 A 76 76 GLY N N 76 108.081 107.999 0.082 2
1 807 . 1 1 A 77 77 LEU H H 77 8.088 7.956 0.132 2
1 808 . 1 1 A 77 77 LEU HA H 77 3.709 4.199 -0.490 2
1 818 . 1 1 A 77 77 LEU CA C 77 57.865 57.315 0.550 2
1 819 . 1 1 A 77 77 LEU CB C 77 41.828 41.677 0.151 2
1 823 . 1 1 A 77 77 LEU N N 77 126.711 122.928 3.783 2
1 824 . 1 1 A 78 78 ILE H H 78 8.155 8.260 -0.105 2
1 825 . 1 1 A 78 78 ILE HA H 78 3.316 3.835 -0.519 2
1 835 . 1 1 A 78 78 ILE CA C 78 62.813 63.003 -0.190 2
1 836 . 1 1 A 78 78 ILE CB C 78 34.810 37.580 -2.769 2
1 840 . 1 1 A 78 78 ILE N N 78 120.409 119.119 1.290 2
1 841 . 1 1 A 79 79 ASP H H 79 7.408 7.847 -0.439 2
1 842 . 1 1 A 79 79 ASP HA H 79 4.274 4.373 -0.099 2
1 845 . 1 1 A 79 79 ASP CA C 79 57.605 56.981 0.624 2
1 846 . 1 1 A 79 79 ASP CB C 79 41.017 41.060 -0.044 2
1 847 . 1 1 A 79 79 ASP N N 79 120.497 122.273 -1.776 2
1 848 . 1 1 A 80 80 LYS H H 80 7.536 7.823 -0.287 2
1 849 . 1 1 A 80 80 LYS HA H 80 3.931 4.053 -0.122 2
1 858 . 1 1 A 80 80 LYS CA C 80 59.952 59.221 0.731 2
1 859 . 1 1 A 80 80 LYS CB C 80 33.221 31.978 1.243 2
1 863 . 1 1 A 80 80 LYS N N 80 119.684 118.515 1.169 2
1 864 . 1 1 A 81 81 LEU H H 81 8.473 7.855 0.618 2
1 865 . 1 1 A 81 81 LEU HA H 81 3.765 3.961 -0.196 2
1 875 . 1 1 A 81 81 LEU CA C 81 57.564 57.770 -0.206 2
1 876 . 1 1 A 81 81 LEU CB C 81 42.473 41.727 0.746 2
1 880 . 1 1 A 81 81 LEU N N 81 121.519 120.545 0.974 2
1 881 . 1 1 A 82 82 ALA H H 82 8.682 8.177 0.505 2
1 882 . 1 1 A 82 82 ALA HA H 82 3.479 4.300 -0.821 2
1 886 . 1 1 A 82 82 ALA CA C 82 55.731 55.784 -0.053 2
1 887 . 1 1 A 82 82 ALA CB C 82 17.388 18.425 -1.037 2
1 888 . 1 1 A 82 82 ALA N N 82 123.814 121.217 2.597 2
1 889 . 1 1 A 83 83 ARG H H 83 7.329 7.855 -0.526 2
1 890 . 1 1 A 83 83 ARG HA H 83 3.981 4.121 -0.140 2
1 897 . 1 1 A 83 83 ARG CA C 83 59.137 59.713 -0.576 2
1 898 . 1 1 A 83 83 ARG CB C 83 29.971 30.105 -0.135 2
1 901 . 1 1 A 83 83 ARG N N 83 118.219 117.699 0.520 2
1 902 . 1 1 A 84 84 GLN H H 84 7.750 7.594 0.156 2
1 903 . 1 1 A 84 84 GLN HA H 84 4.047 4.098 -0.051 2
1 906 . 1 1 A 84 84 GLN CA C 84 58.685 58.411 0.274 2
1 907 . 1 1 A 84 84 GLN CB C 84 29.903 28.465 1.438 2
1 909 . 1 1 A 84 84 GLN N N 84 119.887 119.190 0.697 2
1 910 . 1 1 A 85 85 LEU H H 85 8.610 8.385 0.225 2
1 911 . 1 1 A 85 85 LEU HA H 85 3.788 3.765 0.023 2
1 920 . 1 1 A 85 85 LEU CA C 85 57.600 57.541 0.059 2
1 921 . 1 1 A 85 85 LEU CB C 85 41.178 40.943 0.235 2
1 925 . 1 1 A 85 85 LEU N N 85 122.951 119.981 2.970 2
1 926 . 1 1 A 86 86 THR H H 86 7.709 8.254 -0.545 2
1 927 . 1 1 A 86 86 THR HA H 86 4.056 4.056 -0.000 2
1 932 . 1 1 A 86 86 THR CA C 86 65.924 66.730 -0.806 2
1 933 . 1 1 A 86 86 THR CB C 86 68.870 68.176 0.694 2
1 935 . 1 1 A 86 86 THR N N 86 116.282 113.888 2.394 2
1 936 . 1 1 A 87 87 LYS H H 87 7.457 7.806 -0.349 2
1 937 . 1 1 A 87 87 LYS HA H 87 4.102 3.970 0.132 2
1 946 . 1 1 A 87 87 LYS CA C 87 58.289 59.514 -1.225 2
1 947 . 1 1 A 87 87 LYS CB C 87 32.293 32.383 -0.090 2
1 951 . 1 1 A 87 87 LYS N N 87 122.670 121.570 1.100 2
1 952 . 1 1 A 88 88 HIS H H 88 7.928 8.042 -0.114 2
1 953 . 1 1 A 88 88 HIS HA H 88 4.301 4.333 -0.032 2
1 957 . 1 1 A 88 88 HIS CA C 88 58.361 58.737 -0.376 2
1 958 . 1 1 A 88 88 HIS CB C 88 30.766 28.469 2.297 2
1 960 . 1 1 A 88 88 HIS N N 88 121.382 117.134 4.248 2
1 961 . 1 1 A 89 89 LYS H H 89 7.928 7.732 0.196 2
1 962 . 1 1 A 89 89 LYS HA H 89 3.934 4.017 -0.083 2
1 971 . 1 1 A 89 89 LYS CA C 89 58.568 58.688 -0.120 2
1 972 . 1 1 A 89 89 LYS CB C 89 32.489 31.888 0.601 2
1 976 . 1 1 A 89 89 LYS N N 89 121.821 121.066 0.755 2
1 977 . 1 1 A 90 90 ASP H H 90 8.143 7.928 0.215 2
1 978 . 1 1 A 90 90 ASP HA H 90 4.445 4.398 0.047 2
1 981 . 1 1 A 90 90 ASP CA C 90 55.869 56.966 -1.097 2
1 982 . 1 1 A 90 90 ASP CB C 90 40.715 40.623 0.092 2
1 983 . 1 1 A 90 90 ASP N N 90 121.199 119.198 2.000 2
1 984 . 1 1 A 91 91 LYS H H 91 7.867 7.910 -0.043 2
1 985 . 1 1 A 91 91 LYS HA H 91 4.130 4.092 0.038 2
1 994 . 1 1 A 91 91 LYS CA C 91 57.421 59.186 -1.765 2
1 995 . 1 1 A 91 91 LYS CB C 91 32.365 32.305 0.060 2
1 999 . 1 1 A 91 91 LYS N N 91 121.976 118.931 3.045 2
1 1000 . 1 1 A 92 92 LEU H H 92 7.709 7.816 -0.107 2
1 1001 . 1 1 A 92 92 LEU HA H 92 4.171 4.386 -0.215 2
1 1011 . 1 1 A 92 92 LEU CA C 92 55.449 55.229 0.220 2
1 1012 . 1 1 A 92 92 LEU CB C 92 41.871 40.904 0.967 2
1 1016 . 1 1 A 92 92 LEU N N 92 121.802 118.897 2.905 2
1 1017 . 1 1 A 93 93 LYS H H 93 7.751 7.975 -0.224 2
1 1018 . 1 1 A 93 93 LYS HA H 93 4.197 4.540 -0.343 2
1 1027 . 1 1 A 93 93 LYS CA C 93 56.420 55.963 0.457 2
1 1028 . 1 1 A 93 93 LYS CB C 93 32.792 33.774 -0.982 2
1 1032 . 1 1 A 93 93 LYS N N 93 121.954 120.882 1.072 2
1 1033 . 1 1 A 94 94 GLN H H 94 8.129 8.259 -0.130 2
1 1034 . 1 1 A 94 94 GLN HA H 94 4.208 4.579 -0.371 2
1 1039 . 1 1 A 94 94 GLN CA C 94 55.891 55.345 0.546 2
1 1040 . 1 1 A 94 94 GLN CB C 94 29.236 29.332 -0.096 2
1 1042 . 1 1 A 94 94 GLN N N 94 123.165 119.213 3.952 2
stop_
save_