data_15306_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 15306
_Entry.PDB_ID 2JQZ
_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 6 . 1 1 1 A 2 2 PRO HA H 11 4.498 4.763 -0.265 1
1 11 . 1 1 1 A 2 2 PRO CA C 11 63.103 62.867 0.236 1
1 12 . 1 1 1 A 2 2 PRO CB C 11 32.993 33.227 -0.234 1
1 15 . 1 1 1 A 3 3 VAL H H 12 8.356 8.501 -0.145 1
1 16 . 1 1 1 A 3 3 VAL HA H 12 4.370 4.994 -0.624 1
1 24 . 1 1 1 A 3 3 VAL CA C 12 60.982 59.203 1.779 1
1 25 . 1 1 1 A 3 3 VAL CB C 12 34.005 34.553 -0.548 1
1 28 . 1 1 1 A 3 3 VAL N N 12 119.528 115.451 4.077 1
1 29 . 1 1 1 A 4 4 LYS H H 13 8.542 8.967 -0.425 1
1 30 . 1 1 1 A 4 4 LYS HA H 13 4.752 5.314 -0.562 1
1 38 . 1 1 1 A 4 4 LYS CA C 13 55.339 56.198 -0.859 1
1 39 . 1 1 1 A 4 4 LYS CB C 13 33.640 33.260 0.380 1
1 43 . 1 1 1 A 4 4 LYS N N 13 125.901 125.243 0.658 1
1 44 . 1 1 1 A 5 5 LEU H H 14 8.887 8.965 -0.078 1
1 45 . 1 1 1 A 5 5 LEU HA H 14 4.927 5.221 -0.294 1
1 51 . 1 1 1 A 5 5 LEU CA C 14 52.944 53.443 -0.499 1
1 52 . 1 1 1 A 5 5 LEU CB C 14 47.069 45.782 1.287 1
1 54 . 1 1 1 A 5 5 LEU N N 14 126.276 128.723 -2.447 1
1 55 . 1 1 1 A 6 6 ARG H H 15 9.361 8.479 0.882 1
1 56 . 1 1 1 A 6 6 ARG HA H 15 5.205 5.127 0.078 1
1 61 . 1 1 1 A 6 6 ARG CA C 15 55.064 55.405 -0.341 1
1 62 . 1 1 1 A 6 6 ARG CB C 15 31.979 30.646 1.333 1
1 64 . 1 1 1 A 6 6 ARG N N 15 123.745 126.331 -2.586 1
1 65 . 1 1 1 A 7 7 LEU H H 16 9.694 8.910 0.784 1
1 66 . 1 1 1 A 7 7 LEU HA H 16 5.437 4.872 0.565 1
1 73 . 1 1 1 A 7 7 LEU CA C 16 53.777 53.791 -0.014 1
1 74 . 1 1 1 A 7 7 LEU CB C 16 45.577 43.632 1.945 1
1 77 . 1 1 1 A 7 7 LEU N N 16 111.467 127.734 -16.267 1
1 78 . 1 1 1 A 8 8 THR H H 17 9.470 9.101 0.369 1
1 79 . 1 1 1 A 8 8 THR HA H 17 4.904 4.826 0.078 1
1 84 . 1 1 1 A 8 8 THR CA C 17 62.827 62.279 0.548 1
1 85 . 1 1 1 A 8 8 THR CB C 17 69.540 69.082 0.458 1
1 87 . 1 1 1 A 8 8 THR N N 17 124.589 123.709 0.880 1
1 88 . 1 1 1 A 9 9 VAL H H 18 9.339 8.908 0.431 1
1 89 . 1 1 1 A 9 9 VAL HA H 18 4.374 4.119 0.255 1
1 97 . 1 1 1 A 9 9 VAL CA C 18 61.708 62.888 -1.180 1
1 98 . 1 1 1 A 9 9 VAL CB C 18 31.021 30.621 0.400 1
1 101 . 1 1 1 A 9 9 VAL N N 18 127.963 127.889 0.074 1
1 102 . 1 1 1 A 10 10 LEU H H 19 8.957 8.597 0.360 1
1 103 . 1 1 1 A 10 10 LEU HA H 19 4.334 4.230 0.104 1
1 113 . 1 1 1 A 10 10 LEU CA C 19 59.232 57.623 1.609 1
1 114 . 1 1 1 A 10 10 LEU CB C 19 43.525 42.838 0.687 1
1 118 . 1 1 1 A 10 10 LEU N N 19 127.775 129.610 -1.835 1
1 119 . 1 1 1 A 11 11 CYS H H 20 8.038 7.475 0.563 1
1 120 . 1 1 1 A 11 11 CYS HA H 20 5.152 4.621 0.531 1
1 123 . 1 1 1 A 11 11 CYS CA C 20 55.928 57.297 -1.369 1
1 124 . 1 1 1 A 11 11 CYS CB C 20 30.655 30.164 0.491 1
1 125 . 1 1 1 A 11 11 CYS N N 20 109.968 113.465 -3.497 1
1 126 . 1 1 1 A 12 12 ALA H H 21 8.485 8.554 -0.069 1
1 127 . 1 1 1 A 12 12 ALA HA H 21 5.397 5.321 0.076 1
1 131 . 1 1 1 A 12 12 ALA CA C 21 50.707 50.360 0.347 1
1 132 . 1 1 1 A 12 12 ALA CB C 21 22.550 23.068 -0.518 1
1 133 . 1 1 1 A 12 12 ALA N N 21 119.247 123.743 -4.496 1
1 134 . 1 1 1 A 13 13 LYS H H 22 8.905 8.741 0.164 1
1 135 . 1 1 1 A 13 13 LYS HA H 22 5.144 4.704 0.440 1
1 141 . 1 1 1 A 13 13 LYS CA C 22 54.063 54.655 -0.592 1
1 142 . 1 1 1 A 13 13 LYS CB C 22 37.217 35.570 1.647 1
1 146 . 1 1 1 A 13 13 LYS N N 22 117.934 120.656 -2.722 1
1 147 . 1 1 1 A 14 14 ASN H H 23 9.099 9.029 0.070 1
1 148 . 1 1 1 A 14 14 ASN HA H 23 4.187 4.308 -0.121 1
1 153 . 1 1 1 A 14 14 ASN CA C 23 53.735 53.847 -0.112 1
1 154 . 1 1 1 A 14 14 ASN CB C 23 37.736 36.998 0.738 1
1 155 . 1 1 1 A 14 14 ASN N N 23 118.684 120.169 -1.485 1
1 157 . 1 1 1 A 15 15 LEU H H 24 8.294 7.941 0.353 1
1 158 . 1 1 1 A 15 15 LEU HA H 24 5.161 4.380 0.781 1
1 165 . 1 1 1 A 15 15 LEU CA C 24 55.261 54.773 0.488 1
1 166 . 1 1 1 A 15 15 LEU CB C 24 42.966 42.438 0.528 1
1 169 . 1 1 1 A 15 15 LEU N N 24 114.373 121.253 -6.880 1
1 170 . 1 1 1 A 16 16 VAL H H 25 8.533 8.561 -0.028 1
1 171 . 1 1 1 A 16 16 VAL HA H 25 3.635 4.031 -0.396 1
1 179 . 1 1 1 A 16 16 VAL CA C 25 62.318 63.162 -0.844 1
1 180 . 1 1 1 A 16 16 VAL CB C 25 33.064 32.373 0.691 1
1 183 . 1 1 1 A 16 16 VAL N N 25 119.200 124.801 -5.601 1
1 184 . 1 1 1 A 17 17 LYS H H 26 7.950 8.367 -0.417 1
1 185 . 1 1 1 A 17 17 LYS HA H 26 4.302 4.050 0.252 1
1 192 . 1 1 1 A 17 17 LYS CA C 26 54.150 58.489 -4.339 1
1 193 . 1 1 1 A 17 17 LYS CB C 26 33.826 32.063 1.763 1
1 197 . 1 1 1 A 17 17 LYS N N 26 128.056 126.397 1.659 1
1 198 . 1 1 1 A 18 18 LYS H H 27 8.549 7.926 0.623 1
1 199 . 1 1 1 A 18 18 LYS HA H 27 4.078 3.926 0.152 1
1 207 . 1 1 1 A 18 18 LYS CA C 27 58.626 58.657 -0.031 1
1 208 . 1 1 1 A 18 18 LYS CB C 27 33.826 31.024 2.802 1
1 211 . 1 1 1 A 18 18 LYS N N 27 125.760 114.472 11.288 1
1 212 . 1 1 1 A 19 19 ASP H H 28 8.438 8.296 0.142 1
1 213 . 1 1 1 A 19 19 ASP HA H 28 4.801 4.645 0.156 1
1 216 . 1 1 1 A 19 19 ASP CA C 28 52.964 53.349 -0.385 1
1 217 . 1 1 1 A 19 19 ASP CB C 28 43.518 41.625 1.893 1
1 218 . 1 1 1 A 19 19 ASP N N 28 119.247 119.052 0.195 1
1 219 . 1 1 1 A 20 20 PHE H H 29 8.506 8.009 0.497 1
1 220 . 1 1 1 A 20 20 PHE HA H 29 4.049 4.307 -0.258 1
1 227 . 1 1 1 A 20 20 PHE CA C 29 60.767 57.463 3.304 1
1 228 . 1 1 1 A 20 20 PHE CB C 29 39.305 39.226 0.079 1
1 231 . 1 1 1 A 20 20 PHE N N 29 122.011 121.953 0.058 1
1 232 . 1 1 1 A 21 21 PHE H H 30 8.350 8.491 -0.141 1
1 233 . 1 1 1 A 21 21 PHE HA H 30 4.677 4.160 0.517 1
1 240 . 1 1 1 A 21 21 PHE CA C 30 57.789 59.515 -1.726 1
1 241 . 1 1 1 A 21 21 PHE CB C 30 40.824 36.945 3.879 1
1 244 . 1 1 1 A 21 21 PHE N N 30 113.764 115.913 -2.149 1
1 245 . 1 1 1 A 22 22 ARG H H 31 7.631 7.720 -0.089 1
1 246 . 1 1 1 A 22 22 ARG HA H 31 4.614 4.894 -0.280 1
1 252 . 1 1 1 A 22 22 ARG CA C 31 55.325 54.261 1.064 1
1 253 . 1 1 1 A 22 22 ARG CB C 31 33.640 33.187 0.453 1
1 256 . 1 1 1 A 22 22 ARG N N 31 118.778 119.808 -1.030 1
1 257 . 1 1 1 A 23 23 LEU H H 32 8.699 8.679 0.020 1
1 258 . 1 1 1 A 23 23 LEU HA H 32 4.509 4.888 -0.379 1
1 268 . 1 1 1 A 23 23 LEU CA C 32 52.758 51.019 1.739 1
1 269 . 1 1 1 A 23 23 LEU CB C 32 42.593 45.635 -3.042 1
1 273 . 1 1 1 A 23 23 LEU N N 32 123.464 121.556 1.908 1
1 274 . 1 1 1 A 24 24 PRO HA H 33 4.648 4.834 -0.186 1
1 281 . 1 1 1 A 24 24 PRO CA C 33 62.753 62.133 0.620 1
1 282 . 1 1 1 A 24 24 PRO CB C 33 33.965 32.828 1.137 1
1 285 . 1 1 1 A 25 25 ASP H H 34 7.463 8.539 -1.076 1
1 286 . 1 1 1 A 25 25 ASP HA H 34 6.052 5.943 0.109 1
1 289 . 1 1 1 A 25 25 ASP CA C 34 51.080 51.840 -0.760 1
1 290 . 1 1 1 A 25 25 ASP CB C 34 42.779 41.788 0.991 1
1 291 . 1 1 1 A 25 25 ASP N N 34 117.091 121.207 -4.116 1
1 292 . 1 1 1 A 26 26 PRO HA H 35 5.968 5.091 0.877 1
1 299 . 1 1 1 A 26 26 PRO CA C 35 62.827 62.928 -0.101 1
1 300 . 1 1 1 A 26 26 PRO CB C 35 35.132 32.774 2.358 1
1 303 . 1 1 1 A 27 27 PHE H H 36 9.284 8.736 0.548 1
1 304 . 1 1 1 A 27 27 PHE HA H 36 5.009 5.163 -0.154 1
1 312 . 1 1 1 A 27 27 PHE CA C 36 56.301 56.157 0.144 1
1 313 . 1 1 1 A 27 27 PHE CB C 36 42.689 41.494 1.195 1
1 317 . 1 1 1 A 27 27 PHE N N 36 120.090 118.681 1.409 1
1 318 . 1 1 1 A 28 28 ALA H H 37 8.408 8.426 -0.018 1
1 319 . 1 1 1 A 28 28 ALA HA H 37 5.481 5.129 0.352 1
1 323 . 1 1 1 A 28 28 ALA CA C 37 49.186 49.674 -0.488 1
1 324 . 1 1 1 A 28 28 ALA CB C 37 20.389 22.649 -2.260 1
1 325 . 1 1 1 A 28 28 ALA N N 37 122.433 122.327 0.106 1
1 326 . 1 1 1 A 29 29 LYS H H 38 9.617 8.830 0.787 1
1 327 . 1 1 1 A 29 29 LYS HA H 38 5.267 5.347 -0.080 1
1 335 . 1 1 1 A 29 29 LYS CA C 38 54.901 55.237 -0.336 1
1 336 . 1 1 1 A 29 29 LYS CB C 38 36.624 36.034 0.590 1
1 340 . 1 1 1 A 29 29 LYS N N 38 121.964 121.523 0.441 1
1 341 . 1 1 1 A 30 30 VAL H H 39 9.159 8.780 0.379 1
1 342 . 1 1 1 A 30 30 VAL HA H 39 4.494 4.878 -0.384 1
1 350 . 1 1 1 A 30 30 VAL CA C 39 61.335 60.340 0.995 1
1 351 . 1 1 1 A 30 30 VAL CB C 39 34.954 33.862 1.092 1
1 354 . 1 1 1 A 30 30 VAL N N 39 124.497 126.437 -1.940 1
1 355 . 1 1 1 A 31 31 VAL H H 40 8.659 8.971 -0.312 1
1 356 . 1 1 1 A 31 31 VAL HA H 40 5.091 4.894 0.197 1
1 364 . 1 1 1 A 31 31 VAL CA C 40 59.898 59.312 0.586 1
1 365 . 1 1 1 A 31 31 VAL CB C 40 36.959 35.715 1.244 1
1 368 . 1 1 1 A 31 31 VAL N N 40 124.589 122.168 2.421 1
1 369 . 1 1 1 A 32 32 VAL H H 41 7.786 8.964 -1.178 1
1 370 . 1 1 1 A 32 32 VAL HA H 41 4.660 4.596 0.064 1
1 378 . 1 1 1 A 32 32 VAL CA C 41 62.268 61.319 0.949 1
1 379 . 1 1 1 A 32 32 VAL CB C 41 30.995 33.019 -2.024 1
1 382 . 1 1 1 A 32 32 VAL N N 41 125.385 124.169 1.216 1
1 383 . 1 1 1 A 33 33 ASP H H 42 8.568 8.945 -0.377 1
1 384 . 1 1 1 A 33 33 ASP HA H 42 4.310 4.762 -0.452 1
1 386 . 1 1 1 A 33 33 ASP CA C 42 57.321 53.789 3.532 1
1 387 . 1 1 1 A 33 33 ASP CB C 42 40.727 39.865 0.862 1
1 388 . 1 1 1 A 33 33 ASP N N 42 130.868 128.239 2.629 1
1 389 . 1 1 1 A 34 34 GLY HA2 H 43 4.230 4.045 0.185 1
1 390 . 1 1 1 A 34 34 GLY HA3 H 43 3.818 4.052 -0.234 1
1 391 . 1 1 1 A 34 34 GLY CA C 43 46.510 45.346 1.164 1
1 392 . 1 1 1 A 35 35 SER H H 44 8.049 7.951 0.098 1
1 393 . 1 1 1 A 35 35 SER HA H 44 4.928 4.749 0.179 1
1 396 . 1 1 1 A 35 35 SER CA C 44 58.067 58.352 -0.285 1
1 397 . 1 1 1 A 35 35 SER CB C 44 67.393 65.560 1.833 1
1 398 . 1 1 1 A 35 35 SER N N 44 115.029 116.045 -1.016 1
1 399 . 1 1 1 A 36 36 GLY H H 45 8.637 8.110 0.527 1
1 400 . 1 1 1 A 36 36 GLY HA2 H 45 4.338 3.951 0.387 1
1 401 . 1 1 1 A 36 36 GLY HA3 H 45 3.884 3.953 -0.069 1
1 402 . 1 1 1 A 36 36 GLY CA C 45 46.137 45.996 0.141 1
1 403 . 1 1 1 A 36 36 GLY N N 45 109.265 110.394 -1.129 1
1 404 . 1 1 1 A 37 37 GLN H H 46 8.329 7.928 0.401 1
1 405 . 1 1 1 A 37 37 GLN HA H 46 4.339 4.421 -0.082 1
1 412 . 1 1 1 A 37 37 GLN CA C 46 56.002 55.393 0.609 1
1 413 . 1 1 1 A 37 37 GLN CB C 46 30.241 29.479 0.762 1
1 415 . 1 1 1 A 37 37 GLN N N 46 120.699 120.970 -0.271 1
1 417 . 1 1 1 A 38 38 CYS H H 47 7.787 8.618 -0.831 1
1 418 . 1 1 1 A 38 38 CYS HA H 47 5.257 5.845 -0.588 1
1 420 . 1 1 1 A 38 38 CYS CA C 47 56.761 56.889 -0.128 1
1 421 . 1 1 1 A 38 38 CYS CB C 47 29.250 30.888 -1.638 1
1 422 . 1 1 1 A 38 38 CYS N N 47 124.214 124.100 0.114 1
1 423 . 1 1 1 A 39 39 HIS H H 48 8.906 8.385 0.521 1
1 424 . 1 1 1 A 39 39 HIS HA H 48 4.730 5.022 -0.292 1
1 428 . 1 1 1 A 39 39 HIS CA C 48 54.888 54.180 0.708 1
1 429 . 1 1 1 A 39 39 HIS CB C 48 34.688 34.297 0.391 1
1 431 . 1 1 1 A 39 39 HIS N N 48 125.807 119.919 5.888 1
1 432 . 1 1 1 A 40 40 SER H H 49 8.728 8.711 0.017 1
1 433 . 1 1 1 A 40 40 SER HA H 49 5.732 5.551 0.181 1
1 436 . 1 1 1 A 40 40 SER CA C 49 57.041 57.327 -0.286 1
1 437 . 1 1 1 A 40 40 SER CB C 49 66.274 66.368 -0.094 1
1 438 . 1 1 1 A 40 40 SER N N 49 116.034 114.391 1.643 1
1 439 . 1 1 1 A 41 41 THR H H 50 9.212 8.828 0.384 1
1 440 . 1 1 1 A 41 41 THR HA H 50 4.477 5.011 -0.534 1
1 445 . 1 1 1 A 41 41 THR CA C 50 61.457 59.619 1.838 1
1 446 . 1 1 1 A 41 41 THR CB C 50 72.337 70.696 1.641 1
1 448 . 1 1 1 A 41 41 THR N N 50 115.404 112.591 2.813 1
1 449 . 1 1 1 A 42 42 ASP H H 51 9.424 8.603 0.821 1
1 450 . 1 1 1 A 42 42 ASP HA H 51 4.676 4.592 0.084 1
1 453 . 1 1 1 A 42 42 ASP CA C 51 54.996 54.490 0.506 1
1 454 . 1 1 1 A 42 42 ASP CB C 51 41.543 41.172 0.371 1
1 455 . 1 1 1 A 42 42 ASP N N 51 119.340 122.258 -2.918 1
1 456 . 1 1 1 A 43 43 THR H H 52 8.650 8.523 0.127 1
1 457 . 1 1 1 A 43 43 THR HA H 52 4.858 5.118 -0.260 1
1 462 . 1 1 1 A 43 43 THR CA C 52 62.637 62.282 0.355 1
1 463 . 1 1 1 A 43 43 THR CB C 52 70.191 70.277 -0.086 1
1 465 . 1 1 1 A 43 43 THR N N 52 117.836 117.347 0.489 1
1 466 . 1 1 1 A 44 44 VAL H H 53 8.266 9.192 -0.926 1
1 467 . 1 1 1 A 44 44 VAL HA H 53 4.363 4.533 -0.170 1
1 475 . 1 1 1 A 44 44 VAL CA C 53 61.086 61.195 -0.109 1
1 476 . 1 1 1 A 44 44 VAL CB C 53 33.361 32.507 0.854 1
1 479 . 1 1 1 A 44 44 VAL N N 53 127.775 127.499 0.276 1
1 480 . 1 1 1 A 45 45 LYS H H 54 8.163 8.702 -0.539 1
1 481 . 1 1 1 A 45 45 LYS HA H 54 4.229 4.642 -0.413 1
1 487 . 1 1 1 A 45 45 LYS CA C 54 56.627 57.079 -0.452 1
1 488 . 1 1 1 A 45 45 LYS CB C 54 33.739 32.679 1.060 1
1 492 . 1 1 1 A 45 45 LYS N N 54 120.934 127.543 -6.609 1
1 493 . 1 1 1 A 46 46 ASN H H 55 9.642 8.792 0.850 1
1 494 . 1 1 1 A 46 46 ASN HA H 55 4.150 4.680 -0.530 1
1 499 . 1 1 1 A 46 46 ASN CA C 55 54.029 53.837 0.192 1
1 500 . 1 1 1 A 46 46 ASN CB C 55 38.668 36.252 2.416 1
1 501 . 1 1 1 A 46 46 ASN N N 55 121.215 121.728 -0.513 1
1 503 . 1 1 1 A 47 47 THR H H 56 8.246 7.921 0.325 1
1 504 . 1 1 1 A 47 47 THR HA H 56 4.661 4.950 -0.289 1
1 509 . 1 1 1 A 47 47 THR CA C 56 60.963 60.108 0.855 1
1 510 . 1 1 1 A 47 47 THR CB C 56 68.512 70.896 -2.384 1
1 512 . 1 1 1 A 47 47 THR N N 56 111.936 117.894 -5.958 1
1 513 . 1 1 1 A 48 48 LEU H H 57 8.245 8.606 -0.361 1
1 514 . 1 1 1 A 48 48 LEU HA H 57 4.410 4.704 -0.294 1
1 524 . 1 1 1 A 48 48 LEU CA C 57 53.641 54.060 -0.419 1
1 525 . 1 1 1 A 48 48 LEU CB C 57 41.570 42.775 -1.205 1
1 529 . 1 1 1 A 48 48 LEU N N 57 122.433 124.976 -2.543 1
1 530 . 1 1 1 A 49 49 ASP H H 58 8.544 7.390 1.154 1
1 531 . 1 1 1 A 49 49 ASP HA H 58 5.419 4.949 0.470 1
1 534 . 1 1 1 A 49 49 ASP CA C 58 51.826 51.841 -0.015 1
1 535 . 1 1 1 A 49 49 ASP CB C 58 44.085 40.849 3.236 1
1 536 . 1 1 1 A 49 49 ASP N N 58 116.903 119.959 -3.056 1
1 537 . 1 1 1 A 50 50 PRO HA H 59 3.790 4.514 -0.724 1
1 543 . 1 1 1 A 50 50 PRO CA C 59 63.219 62.025 1.194 1
1 544 . 1 1 1 A 50 50 PRO CB C 59 32.661 32.766 -0.105 1
1 547 . 1 1 1 A 51 51 LYS H H 60 7.806 7.818 -0.012 1
1 548 . 1 1 1 A 51 51 LYS HA H 60 4.224 4.579 -0.355 1
1 555 . 1 1 1 A 51 51 LYS CA C 60 55.521 54.773 0.748 1
1 556 . 1 1 1 A 51 51 LYS CB C 60 33.826 35.834 -2.008 1
1 560 . 1 1 1 A 51 51 LYS N N 60 119.996 116.767 3.229 1
1 561 . 1 1 1 A 52 52 TRP H H 61 7.791 8.181 -0.390 1
1 562 . 1 1 1 A 52 52 TRP HA H 61 4.824 4.850 -0.026 1
1 570 . 1 1 1 A 52 52 TRP CA C 61 60.590 57.327 3.263 1
1 571 . 1 1 1 A 52 52 TRP CB C 61 29.715 31.202 -1.487 1
1 576 . 1 1 1 A 52 52 TRP N N 61 122.386 119.742 2.644 1
1 578 . 1 1 1 A 53 53 ASN H H 62 9.040 7.977 1.063 1
1 579 . 1 1 1 A 53 53 ASN HA H 62 4.419 4.455 -0.036 1
1 584 . 1 1 1 A 53 53 ASN CA C 62 53.789 54.121 -0.332 1
1 585 . 1 1 1 A 53 53 ASN CB C 62 37.922 36.238 1.684 1
1 586 . 1 1 1 A 53 53 ASN N N 62 117.185 117.298 -0.113 1
1 588 . 1 1 1 A 54 54 GLN H H 63 7.512 7.619 -0.107 1
1 589 . 1 1 1 A 54 54 GLN HA H 63 4.584 4.839 -0.255 1
1 596 . 1 1 1 A 54 54 GLN CA C 63 55.008 54.232 0.776 1
1 597 . 1 1 1 A 54 54 GLN CB C 63 34.938 31.532 3.406 1
1 599 . 1 1 1 A 54 54 GLN N N 63 116.341 118.546 -2.205 1
1 601 . 1 1 1 A 55 55 HIS H H 64 7.782 8.145 -0.363 1
1 602 . 1 1 1 A 55 55 HIS HA H 64 5.796 5.839 -0.043 1
1 606 . 1 1 1 A 55 55 HIS CA C 64 53.059 53.109 -0.050 1
1 607 . 1 1 1 A 55 55 HIS CB C 64 34.378 33.093 1.285 1
1 609 . 1 1 1 A 55 55 HIS N N 64 118.403 117.505 0.898 1
1 610 . 1 1 1 A 56 56 TYR H H 65 8.657 8.659 -0.002 1
1 611 . 1 1 1 A 56 56 TYR HA H 65 4.404 4.823 -0.419 1
1 618 . 1 1 1 A 56 56 TYR CA C 65 57.430 56.293 1.137 1
1 619 . 1 1 1 A 56 56 TYR CB C 65 42.958 41.754 1.204 1
1 622 . 1 1 1 A 56 56 TYR N N 65 116.435 117.869 -1.434 1
1 623 . 1 1 1 A 57 57 ASP H H 66 8.772 8.416 0.356 1
1 624 . 1 1 1 A 57 57 ASP HA H 66 5.283 4.948 0.335 1
1 627 . 1 1 1 A 57 57 ASP CA C 66 54.250 52.991 1.259 1
1 628 . 1 1 1 A 57 57 ASP CB C 66 40.914 40.513 0.401 1
1 629 . 1 1 1 A 57 57 ASP N N 66 124.776 123.655 1.121 1
1 630 . 1 1 1 A 58 58 LEU H H 67 9.175 8.242 0.933 1
1 631 . 1 1 1 A 58 58 LEU HA H 67 4.589 4.440 0.149 1
1 641 . 1 1 1 A 58 58 LEU CA C 67 53.131 53.665 -0.534 1
1 642 . 1 1 1 A 58 58 LEU CB C 67 45.060 41.836 3.224 1
1 645 . 1 1 1 A 58 58 LEU N N 67 124.558 125.174 -0.616 1
1 646 . 1 1 1 A 59 59 TYR H H 68 8.877 8.657 0.220 1
1 647 . 1 1 1 A 59 59 TYR HA H 68 5.096 5.596 -0.500 1
1 654 . 1 1 1 A 59 59 TYR CA C 68 57.606 56.344 1.262 1
1 655 . 1 1 1 A 59 59 TYR CB C 68 39.422 43.471 -4.049 1
1 658 . 1 1 1 A 59 59 TYR N N 68 121.215 116.834 4.381 1
1 659 . 1 1 1 A 60 60 ILE H H 69 9.162 8.963 0.199 1
1 660 . 1 1 1 A 60 60 ILE HA H 69 4.551 4.889 -0.338 1
1 670 . 1 1 1 A 60 60 ILE CA C 69 59.471 59.997 -0.526 1
1 671 . 1 1 1 A 60 60 ILE CB C 69 40.500 41.056 -0.556 1
1 675 . 1 1 1 A 60 60 ILE N N 69 124.823 121.552 3.271 1
1 676 . 1 1 1 A 61 61 GLY H H 70 9.960 8.761 1.199 1
1 677 . 1 1 1 A 61 61 GLY HA2 H 70 4.517 4.316 0.201 1
1 678 . 1 1 1 A 61 61 GLY HA3 H 70 3.881 4.317 -0.436 1
1 679 . 1 1 1 A 61 61 GLY CA C 70 44.083 44.642 -0.559 1
1 680 . 1 1 1 A 61 61 GLY N N 70 117.841 115.443 2.398 1
1 681 . 1 1 1 A 62 62 LYS H H 71 8.605 9.005 -0.400 1
1 682 . 1 1 1 A 62 62 LYS HA H 71 4.090 4.147 -0.057 1
1 687 . 1 1 1 A 62 62 LYS CA C 71 59.447 58.855 0.592 1
1 688 . 1 1 1 A 62 62 LYS CB C 71 33.453 32.036 1.417 1
1 692 . 1 1 1 A 62 62 LYS N N 71 119.434 124.290 -4.856 1
1 693 . 1 1 1 A 63 63 SER H H 72 8.544 8.235 0.309 1
1 694 . 1 1 1 A 63 63 SER HA H 72 4.811 4.686 0.125 1
1 696 . 1 1 1 A 63 63 SER CA C 72 57.606 56.874 0.732 1
1 697 . 1 1 1 A 63 63 SER CB C 72 64.013 63.993 0.020 1
1 698 . 1 1 1 A 63 63 SER N N 72 111.842 116.639 -4.797 1
1 699 . 1 1 1 A 64 64 ASP H H 73 7.247 7.941 -0.694 1
1 700 . 1 1 1 A 64 64 ASP HA H 73 4.867 5.104 -0.237 1
1 702 . 1 1 1 A 64 64 ASP CA C 73 55.500 53.348 2.152 1
1 703 . 1 1 1 A 64 64 ASP CB C 73 43.331 42.493 0.838 1
1 704 . 1 1 1 A 64 64 ASP N N 73 121.964 125.162 -3.198 1
1 705 . 1 1 1 A 65 65 SER H H 74 8.742 8.856 -0.114 1
1 706 . 1 1 1 A 65 65 SER HA H 74 5.074 5.289 -0.215 1
1 708 . 1 1 1 A 65 65 SER CA C 74 56.301 56.847 -0.546 1
1 709 . 1 1 1 A 65 65 SER CB C 74 67.579 66.617 0.962 1
1 710 . 1 1 1 A 65 65 SER N N 74 111.936 115.860 -3.924 1
1 711 . 1 1 1 A 66 66 VAL H H 75 8.622 8.402 0.220 1
1 712 . 1 1 1 A 66 66 VAL HA H 75 5.095 5.079 0.016 1
1 720 . 1 1 1 A 66 66 VAL CA C 75 60.217 60.466 -0.249 1
1 721 . 1 1 1 A 66 66 VAL CB C 75 36.617 35.679 0.938 1
1 724 . 1 1 1 A 66 66 VAL N N 75 119.422 121.058 -1.636 1
1 725 . 1 1 1 A 67 67 THR H H 76 9.152 8.665 0.487 1
1 726 . 1 1 1 A 67 67 THR HA H 76 5.199 4.982 0.217 1
1 731 . 1 1 1 A 67 67 THR CA C 76 63.014 61.962 1.052 1
1 732 . 1 1 1 A 67 67 THR CB C 76 69.703 71.475 -1.772 1
1 734 . 1 1 1 A 67 67 THR N N 76 123.839 122.489 1.350 1
1 735 . 1 1 1 A 68 68 ILE H H 77 9.106 9.055 0.051 1
1 736 . 1 1 1 A 68 68 ILE HA H 77 5.389 4.880 0.509 1
1 746 . 1 1 1 A 68 68 ILE CA C 77 59.844 60.562 -0.718 1
1 747 . 1 1 1 A 68 68 ILE CB C 77 40.347 38.787 1.560 1
1 751 . 1 1 1 A 68 68 ILE N N 77 129.275 129.618 -0.343 1
1 752 . 1 1 1 A 69 69 SER H H 78 9.645 9.037 0.608 1
1 753 . 1 1 1 A 69 69 SER HA H 78 5.265 5.456 -0.191 1
1 756 . 1 1 1 A 69 69 SER CA C 78 56.114 56.403 -0.289 1
1 757 . 1 1 1 A 69 69 SER CB C 78 66.087 65.370 0.717 1
1 758 . 1 1 1 A 69 69 SER N N 78 120.559 122.008 -1.449 1
1 759 . 1 1 1 A 70 70 VAL H H 79 8.482 8.530 -0.048 1
1 760 . 1 1 1 A 70 70 VAL HA H 79 4.676 4.615 0.061 1
1 768 . 1 1 1 A 70 70 VAL CA C 79 60.852 61.287 -0.435 1
1 769 . 1 1 1 A 70 70 VAL CB C 79 32.992 32.845 0.147 1
1 772 . 1 1 1 A 70 70 VAL N N 79 121.777 124.301 -2.524 1
1 773 . 1 1 1 A 71 71 TRP H H 80 8.627 8.457 0.170 1
1 774 . 1 1 1 A 71 71 TRP HA H 80 4.930 4.984 -0.054 1
1 783 . 1 1 1 A 71 71 TRP CA C 80 55.182 55.219 -0.037 1
1 784 . 1 1 1 A 71 71 TRP CB C 80 34.058 33.483 0.575 1
1 790 . 1 1 1 A 71 71 TRP N N 80 124.474 125.663 -1.189 1
1 792 . 1 1 1 A 72 72 ASN H H 81 9.891 9.135 0.756 1
1 793 . 1 1 1 A 72 72 ASN HA H 81 4.789 5.110 -0.321 1
1 798 . 1 1 1 A 72 72 ASN CA C 81 51.049 53.200 -2.151 1
1 799 . 1 1 1 A 72 72 ASN CB C 81 39.091 38.299 0.792 1
1 800 . 1 1 1 A 72 72 ASN N N 81 116.435 121.555 -5.120 1
1 802 . 1 1 1 A 73 73 HIS H H 82 9.967 9.325 0.642 1
1 803 . 1 1 1 A 73 73 HIS HA H 82 4.499 4.396 0.103 1
1 806 . 1 1 1 A 73 73 HIS CA C 82 60.788 60.547 0.241 1
1 807 . 1 1 1 A 73 73 HIS CB C 82 32.327 30.864 1.463 1
1 808 . 1 1 1 A 73 73 HIS N N 82 127.963 125.706 2.257 1
1 809 . 1 1 1 A 74 74 LYS H H 83 7.764 8.233 -0.469 1
1 810 . 1 1 1 A 74 74 LYS HA H 83 4.297 3.899 0.398 1
1 817 . 1 1 1 A 74 74 LYS CA C 83 59.232 59.834 -0.602 1
1 818 . 1 1 1 A 74 74 LYS CB C 83 33.640 32.241 1.399 1
1 822 . 1 1 1 A 74 74 LYS N N 83 112.592 118.642 -6.050 1
1 823 . 1 1 1 A 75 75 LYS H H 84 7.626 7.724 -0.098 1
1 824 . 1 1 1 A 75 75 LYS HA H 84 4.607 4.196 0.411 1
1 832 . 1 1 1 A 75 75 LYS CA C 84 55.828 58.976 -3.148 1
1 833 . 1 1 1 A 75 75 LYS CB C 84 36.064 32.053 4.011 1
1 837 . 1 1 1 A 75 75 LYS N N 84 114.560 117.994 -3.434 1
1 838 . 1 1 1 A 76 76 ILE H H 85 7.021 8.022 -1.001 1
1 839 . 1 1 1 A 76 76 ILE HA H 85 4.132 4.166 -0.034 1
1 849 . 1 1 1 A 76 76 ILE CA C 85 64.013 64.255 -0.242 1
1 850 . 1 1 1 A 76 76 ILE CB C 85 39.146 37.493 1.653 1
1 854 . 1 1 1 A 76 76 ILE N N 85 113.811 117.289 -3.478 1
1 855 . 1 1 1 A 77 77 HIS H H 86 8.335 7.656 0.679 1
1 856 . 1 1 1 A 77 77 HIS HA H 86 4.612 4.191 0.421 1
1 859 . 1 1 1 A 77 77 HIS CA C 86 56.815 58.976 -2.161 1
1 860 . 1 1 1 A 77 77 HIS CB C 86 30.461 29.989 0.472 1
1 862 . 1 1 1 A 77 77 HIS N N 86 117.841 122.817 -4.976 1
1 863 . 1 1 1 A 78 78 LYS H H 87 7.587 7.860 -0.273 1
1 864 . 1 1 1 A 78 78 LYS HA H 87 4.094 3.844 0.250 1
1 870 . 1 1 1 A 78 78 LYS CA C 87 57.628 60.002 -2.374 1
1 871 . 1 1 1 A 78 78 LYS CB C 87 32.893 32.834 0.059 1
1 875 . 1 1 1 A 78 78 LYS N N 87 120.652 119.684 0.968 1
1 876 . 1 1 1 A 79 79 LYS H H 88 7.585 7.871 -0.286 1
1 877 . 1 1 1 A 79 79 LYS HA H 88 4.304 4.333 -0.029 1
1 883 . 1 1 1 A 79 79 LYS CA C 88 56.467 56.877 -0.410 1
1 884 . 1 1 1 A 79 79 LYS CB C 88 34.013 32.146 1.867 1
1 888 . 1 1 1 A 79 79 LYS N N 88 115.872 119.377 -3.505 1
1 889 . 1 1 1 A 80 80 GLN H H 89 8.625 8.997 -0.372 1
1 890 . 1 1 1 A 80 80 GLN HA H 89 4.192 3.963 0.229 1
1 893 . 1 1 1 A 80 80 GLN CA C 89 57.590 56.773 0.817 1
1 894 . 1 1 1 A 80 80 GLN CB C 89 28.331 27.604 0.727 1
1 896 . 1 1 1 A 80 80 GLN N N 89 121.308 123.335 -2.027 1
1 897 . 1 1 1 A 81 81 GLY H H 90 8.791 8.592 0.199 1
1 898 . 1 1 1 A 81 81 GLY HA2 H 90 4.332 3.873 0.459 1
1 899 . 1 1 1 A 81 81 GLY HA3 H 90 3.850 3.895 -0.045 1
1 900 . 1 1 1 A 81 81 GLY CA C 90 45.950 45.286 0.664 1
1 901 . 1 1 1 A 81 81 GLY N N 90 112.984 105.355 7.629 1
1 902 . 1 1 1 A 82 82 ALA H H 91 7.951 7.750 0.201 1
1 903 . 1 1 1 A 82 82 ALA HA H 91 4.485 4.196 0.289 1
1 907 . 1 1 1 A 82 82 ALA CA C 91 53.404 53.499 -0.095 1
1 908 . 1 1 1 A 82 82 ALA CB C 91 20.762 18.529 2.233 1
1 909 . 1 1 1 A 82 82 ALA N N 91 123.745 123.568 0.177 1
1 910 . 1 1 1 A 83 83 GLY H H 92 8.860 8.959 -0.099 1
1 911 . 1 1 1 A 83 83 GLY HA2 H 92 4.270 4.184 0.086 1
1 912 . 1 1 1 A 83 83 GLY HA3 H 92 4.262 4.231 0.031 1
1 913 . 1 1 1 A 83 83 GLY CA C 92 46.689 45.414 1.275 1
1 914 . 1 1 1 A 83 83 GLY N N 92 105.564 110.873 -5.309 1
1 915 . 1 1 1 A 84 84 PHE H H 93 8.113 8.147 -0.034 1
1 916 . 1 1 1 A 84 84 PHE HA H 93 3.440 4.584 -1.144 1
1 924 . 1 1 1 A 84 84 PHE CA C 93 59.932 58.174 1.758 1
1 925 . 1 1 1 A 84 84 PHE CB C 93 39.141 39.807 -0.666 1
1 929 . 1 1 1 A 84 84 PHE N N 93 121.215 121.603 -0.388 1
1 930 . 1 1 1 A 85 85 LEU H H 94 8.204 7.454 0.750 1
1 931 . 1 1 1 A 85 85 LEU HA H 94 4.334 4.150 0.184 1
1 938 . 1 1 1 A 85 85 LEU CA C 94 53.569 55.594 -2.025 1
1 939 . 1 1 1 A 85 85 LEU CB C 94 43.255 42.701 0.554 1
1 942 . 1 1 1 A 85 85 LEU N N 94 125.432 126.302 -0.870 1
1 943 . 1 1 1 A 86 86 GLY HA2 H 95 4.222 3.833 0.389 1
1 944 . 1 1 1 A 86 86 GLY HA3 H 95 3.147 3.925 -0.778 1
1 945 . 1 1 1 A 86 86 GLY CA C 95 45.570 44.610 0.960 1
1 946 . 1 1 1 A 87 87 CYS H H 96 9.230 9.095 0.135 1
1 947 . 1 1 1 A 87 87 CYS HA H 96 5.838 5.317 0.521 1
1 949 . 1 1 1 A 87 87 CYS CA C 96 55.882 57.479 -1.597 1
1 950 . 1 1 1 A 87 87 CYS CB C 96 33.259 29.333 3.926 1
1 951 . 1 1 1 A 87 87 CYS N N 96 114.935 121.320 -6.385 1
1 952 . 1 1 1 A 88 88 VAL H H 97 9.242 9.059 0.183 1
1 953 . 1 1 1 A 88 88 VAL HA H 97 4.575 4.792 -0.217 1
1 961 . 1 1 1 A 88 88 VAL CA C 97 61.769 60.301 1.468 1
1 962 . 1 1 1 A 88 88 VAL CB C 97 35.684 33.564 2.120 1
1 965 . 1 1 1 A 88 88 VAL N N 97 115.966 124.755 -8.789 1
1 966 . 1 1 1 A 89 89 ARG H H 98 8.665 9.137 -0.472 1
1 967 . 1 1 1 A 89 89 ARG HA H 98 5.166 5.271 -0.105 1
1 973 . 1 1 1 A 89 89 ARG CA C 98 54.929 54.389 0.540 1
1 974 . 1 1 1 A 89 89 ARG CB C 98 31.961 33.690 -1.729 1
1 977 . 1 1 1 A 89 89 ARG N N 98 125.526 129.445 -3.919 1
1 978 . 1 1 1 A 90 90 LEU H H 99 9.611 8.553 1.058 1
1 979 . 1 1 1 A 90 90 LEU HA H 99 4.644 5.256 -0.612 1
1 989 . 1 1 1 A 90 90 LEU CA C 99 53.217 53.107 0.110 1
1 990 . 1 1 1 A 90 90 LEU CB C 99 43.339 45.144 -1.805 1
1 994 . 1 1 1 A 90 90 LEU N N 99 127.119 127.556 -0.437 1
1 995 . 1 1 1 A 91 91 LEU H H 100 7.953 8.621 -0.668 1
1 996 . 1 1 1 A 91 91 LEU HA H 100 4.540 4.722 -0.182 1
1 1005 . 1 1 1 A 91 91 LEU CA C 100 54.523 53.848 0.675 1
1 1006 . 1 1 1 A 91 91 LEU CB C 100 42.593 42.687 -0.094 1
1 1010 . 1 1 1 A 91 91 LEU N N 100 122.527 124.403 -1.876 1
1 1011 . 1 1 1 A 92 92 SER H H 101 8.754 8.869 -0.115 1
1 1012 . 1 1 1 A 92 92 SER HA H 101 3.950 4.162 -0.212 1
1 1013 . 1 1 1 A 92 92 SER CA C 101 63.171 61.562 1.609 1
1 1014 . 1 1 1 A 92 92 SER N N 101 115.966 116.392 -0.426 1
1 1015 . 1 1 1 A 93 93 ASN H H 102 7.765 8.587 -0.822 1
1 1016 . 1 1 1 A 93 93 ASN HA H 102 4.500 4.426 0.074 1
1 1020 . 1 1 1 A 93 93 ASN CA C 102 56.487 56.129 0.358 1
1 1021 . 1 1 1 A 93 93 ASN CB C 102 37.514 37.465 0.049 1
1 1022 . 1 1 1 A 93 93 ASN N N 102 116.950 119.006 -2.056 1
1 1024 . 1 1 1 A 94 94 ALA H H 103 7.345 7.777 -0.432 1
1 1025 . 1 1 1 A 94 94 ALA HA H 103 4.230 4.071 0.159 1
1 1029 . 1 1 1 A 94 94 ALA CA C 103 54.843 55.016 -0.173 1
1 1030 . 1 1 1 A 94 94 ALA CB C 103 19.643 18.516 1.127 1
1 1031 . 1 1 1 A 94 94 ALA N N 103 124.495 121.956 2.539 1
1 1032 . 1 1 1 A 95 95 ILE H H 104 8.322 7.992 0.330 1
1 1033 . 1 1 1 A 95 95 ILE HA H 104 3.280 3.581 -0.301 1
1 1043 . 1 1 1 A 95 95 ILE CA C 104 66.184 65.138 1.046 1
1 1044 . 1 1 1 A 95 95 ILE CB C 104 37.922 37.611 0.311 1
1 1048 . 1 1 1 A 95 95 ILE N N 104 119.310 119.398 -0.088 1
1 1049 . 1 1 1 A 96 96 ASN H H 105 7.815 8.174 -0.359 1
1 1050 . 1 1 1 A 96 96 ASN HA H 105 4.332 4.392 -0.060 1
1 1052 . 1 1 1 A 96 96 ASN CA C 105 56.487 56.417 0.070 1
1 1053 . 1 1 1 A 96 96 ASN CB C 105 38.855 38.836 0.019 1
1 1054 . 1 1 1 A 96 96 ASN N N 105 114.748 120.399 -5.651 1
1 1055 . 1 1 1 A 97 97 ARG H H 106 7.595 7.792 -0.197 1
1 1056 . 1 1 1 A 97 97 ARG HA H 106 4.257 4.005 0.252 1
1 1061 . 1 1 1 A 97 97 ARG CA C 106 58.294 59.002 -0.708 1
1 1062 . 1 1 1 A 97 97 ARG CB C 106 31.401 29.677 1.724 1
1 1065 . 1 1 1 A 97 97 ARG N N 106 117.934 118.504 -0.570 1
1 1066 . 1 1 1 A 98 98 LEU H H 107 8.179 8.093 0.086 1
1 1067 . 1 1 1 A 98 98 LEU HA H 107 4.288 4.437 -0.149 1
1 1077 . 1 1 1 A 98 98 LEU CA C 107 55.735 57.109 -1.374 1
1 1078 . 1 1 1 A 98 98 LEU CB C 107 44.264 41.251 3.013 1
1 1082 . 1 1 1 A 98 98 LEU N N 107 116.341 119.508 -3.167 1
1 1083 . 1 1 1 A 99 99 LYS H H 108 8.058 8.668 -0.610 1
1 1084 . 1 1 1 A 99 99 LYS HA H 108 4.078 4.063 0.015 1
1 1091 . 1 1 1 A 99 99 LYS CA C 108 58.256 58.844 -0.588 1
1 1092 . 1 1 1 A 99 99 LYS CB C 108 32.520 31.837 0.683 1
1 1096 . 1 1 1 A 99 99 LYS N N 108 123.558 117.817 5.741 1
1 1097 . 1 1 1 A 100 100 ASP H H 109 9.305 7.330 1.975 1
1 1098 . 1 1 1 A 100 100 ASP HA H 109 4.672 4.615 0.057 1
1 1101 . 1 1 1 A 100 100 ASP CA C 109 57.047 56.148 0.899 1
1 1102 . 1 1 1 A 100 100 ASP CB C 109 39.041 41.142 -2.101 1
1 1103 . 1 1 1 A 100 100 ASP N N 109 115.779 119.694 -3.915 1
1 1104 . 1 1 1 A 101 101 THR H H 110 7.546 7.569 -0.023 1
1 1105 . 1 1 1 A 101 101 THR HA H 110 4.675 4.148 0.527 1
1 1110 . 1 1 1 A 101 101 THR CA C 110 61.895 63.722 -1.827 1
1 1111 . 1 1 1 A 101 101 THR CB C 110 70.432 69.517 0.915 1
1 1113 . 1 1 1 A 101 101 THR N N 110 129.087 111.894 17.193 1
1 1114 . 1 1 1 A 102 102 GLY H H 111 8.921 8.132 0.789 1
1 1115 . 1 1 1 A 102 102 GLY HA2 H 111 4.337 3.755 0.582 1
1 1116 . 1 1 1 A 102 102 GLY HA3 H 111 3.563 3.761 -0.198 1
1 1117 . 1 1 1 A 102 102 GLY CA C 111 44.062 45.139 -1.077 1
1 1118 . 1 1 1 A 102 102 GLY N N 111 112.780 110.785 1.995 1
1 1119 . 1 1 1 A 103 103 TYR H H 112 8.255 7.959 0.296 1
1 1120 . 1 1 1 A 103 103 TYR HA H 112 4.574 5.519 -0.945 1
1 1127 . 1 1 1 A 103 103 TYR CA C 112 59.745 56.417 3.328 1
1 1128 . 1 1 1 A 103 103 TYR CB C 112 38.295 42.576 -4.281 1
1 1131 . 1 1 1 A 103 103 TYR N N 112 117.653 118.410 -0.757 1
1 1132 . 1 1 1 A 104 104 GLN H H 113 9.435 9.297 0.138 1
1 1133 . 1 1 1 A 104 104 GLN HA H 113 4.659 4.951 -0.292 1
1 1140 . 1 1 1 A 104 104 GLN CA C 113 53.852 55.225 -1.373 1
1 1141 . 1 1 1 A 104 104 GLN CB C 113 31.128 32.533 -1.405 1
1 1143 . 1 1 1 A 104 104 GLN N N 113 121.964 121.730 0.234 1
1 1145 . 1 1 1 A 105 105 ARG H H 114 8.670 8.942 -0.272 1
1 1146 . 1 1 1 A 105 105 ARG HA H 114 4.838 4.959 -0.121 1
1 1151 . 1 1 1 A 105 105 ARG CA C 114 55.090 55.039 0.051 1
1 1152 . 1 1 1 A 105 105 ARG CB C 114 31.401 30.636 0.765 1
1 1155 . 1 1 1 A 105 105 ARG N N 114 122.246 123.874 -1.628 1
1 1156 . 1 1 1 A 106 106 LEU H H 115 9.269 8.839 0.430 1
1 1157 . 1 1 1 A 106 106 LEU HA H 115 4.843 4.822 0.021 1
1 1163 . 1 1 1 A 106 106 LEU CA C 115 53.317 53.801 -0.484 1
1 1164 . 1 1 1 A 106 106 LEU CB C 115 44.570 42.416 2.154 1
1 1166 . 1 1 1 A 106 106 LEU N N 115 126.088 126.873 -0.785 1
1 1167 . 1 1 1 A 107 107 ASP H H 116 8.582 8.723 -0.141 1
1 1168 . 1 1 1 A 107 107 ASP HA H 116 4.748 4.594 0.154 1
1 1171 . 1 1 1 A 107 107 ASP CA C 116 55.402 54.582 0.820 1
1 1172 . 1 1 1 A 107 107 ASP CB C 116 41.280 41.428 -0.148 1
1 1173 . 1 1 1 A 107 107 ASP N N 116 122.714 125.705 -2.991 1
1 1174 . 1 1 1 A 108 108 LEU H H 117 8.067 8.613 -0.546 1
1 1175 . 1 1 1 A 108 108 LEU HA H 117 4.195 4.542 -0.347 1
1 1185 . 1 1 1 A 108 108 LEU CA C 117 55.308 54.435 0.873 1
1 1186 . 1 1 1 A 108 108 LEU CB C 117 42.871 40.672 2.199 1
1 1190 . 1 1 1 A 108 108 LEU N N 117 121.121 124.411 -3.290 1
1 1191 . 1 1 1 A 109 109 CYS H H 118 9.705 8.669 1.036 1
1 1192 . 1 1 1 A 109 109 CYS HA H 118 4.839 5.201 -0.362 1
1 1195 . 1 1 1 A 109 109 CYS CA C 118 57.979 57.651 0.328 1
1 1196 . 1 1 1 A 109 109 CYS CB C 118 31.953 32.893 -0.940 1
1 1197 . 1 1 1 A 109 109 CYS N N 118 118.403 123.075 -4.672 1
1 1198 . 1 1 1 A 110 110 LYS H H 119 8.419 8.458 -0.039 1
1 1199 . 1 1 1 A 110 110 LYS HA H 119 4.426 4.590 -0.164 1
1 1207 . 1 1 1 A 110 110 LYS CA C 119 56.957 56.499 0.458 1
1 1208 . 1 1 1 A 110 110 LYS CB C 119 34.386 33.175 1.211 1
1 1212 . 1 1 1 A 110 110 LYS N N 119 120.090 121.153 -1.063 1
1 1213 . 1 1 1 A 111 111 LEU H H 120 9.016 8.374 0.642 1
1 1214 . 1 1 1 A 111 111 LEU HA H 120 4.054 3.946 0.108 1
1 1223 . 1 1 1 A 111 111 LEU CA C 120 57.694 57.162 0.532 1
1 1224 . 1 1 1 A 111 111 LEU CB C 120 43.062 42.072 0.990 1
1 1227 . 1 1 1 A 111 111 LEU N N 120 123.089 122.226 0.863 1
1 1228 . 1 1 1 A 112 112 GLY H H 121 7.578 7.177 0.401 1
1 1229 . 1 1 1 A 112 112 GLY HA2 H 121 4.320 4.006 0.314 1
1 1230 . 1 1 1 A 112 112 GLY HA3 H 121 3.863 4.016 -0.153 1
1 1231 . 1 1 1 A 112 112 GLY CA C 121 44.644 45.101 -0.457 1
1 1232 . 1 1 1 A 112 112 GLY N N 121 105.939 104.277 1.662 1
1 1233 . 1 1 1 A 113 113 PRO HA H 122 4.365 4.253 0.112 1
1 1240 . 1 1 1 A 113 113 PRO CA C 122 64.692 63.682 1.010 1
1 1241 . 1 1 1 A 113 113 PRO CB C 122 32.663 32.020 0.643 1
1 1244 . 1 1 1 A 114 114 ASN H H 123 8.603 8.781 -0.178 1
1 1245 . 1 1 1 A 114 114 ASN HA H 123 4.899 4.250 0.649 1
1 1250 . 1 1 1 A 114 114 ASN CA C 123 52.944 54.881 -1.937 1
1 1251 . 1 1 1 A 114 114 ASN CB C 123 39.041 37.278 1.763 1
1 1252 . 1 1 1 A 114 114 ASN N N 123 115.591 115.079 0.512 1
1 1254 . 1 1 1 A 115 115 ASP H H 124 7.507 7.623 -0.116 1
1 1255 . 1 1 1 A 115 115 ASP HA H 124 4.507 4.854 -0.347 1
1 1258 . 1 1 1 A 115 115 ASP CA C 124 54.843 52.212 2.631 1
1 1259 . 1 1 1 A 115 115 ASP CB C 124 41.620 40.906 0.714 1
1 1260 . 1 1 1 A 115 115 ASP N N 124 121.215 118.411 2.804 1
1 1261 . 1 1 1 A 116 116 ASN H H 125 8.741 8.109 0.632 1
1 1262 . 1 1 1 A 116 116 ASN HA H 125 4.823 4.282 0.541 1
1 1267 . 1 1 1 A 116 116 ASN CA C 125 53.447 54.050 -0.603 1
1 1268 . 1 1 1 A 116 116 ASN CB C 125 43.830 36.748 7.082 1
1 1269 . 1 1 1 A 116 116 ASN N N 125 120.137 118.777 1.360 1
1 1271 . 1 1 1 A 117 117 ASP H H 126 8.039 8.344 -0.305 1
1 1272 . 1 1 1 A 117 117 ASP HA H 126 4.745 4.689 0.056 1
1 1274 . 1 1 1 A 117 117 ASP CA C 126 54.436 53.813 0.623 1
1 1275 . 1 1 1 A 117 117 ASP CB C 126 42.046 39.904 2.142 1
1 1276 . 1 1 1 A 117 117 ASP N N 126 120.746 117.972 2.774 1
1 1277 . 1 1 1 A 118 118 THR H H 127 8.361 7.799 0.562 1
1 1278 . 1 1 1 A 118 118 THR HA H 127 4.331 4.672 -0.341 1
1 1283 . 1 1 1 A 118 118 THR CA C 127 62.454 60.371 2.083 1
1 1284 . 1 1 1 A 118 118 THR CB C 127 70.191 68.561 1.630 1
1 1286 . 1 1 1 A 118 118 THR N N 127 116.903 111.914 4.989 1
1 1287 . 1 1 1 A 119 119 VAL H H 128 8.152 7.773 0.379 1
1 1288 . 1 1 1 A 119 119 VAL HA H 128 4.172 5.055 -0.883 1
1 1296 . 1 1 1 A 119 119 VAL CA C 128 61.051 59.321 1.730 1
1 1297 . 1 1 1 A 119 119 VAL CB C 128 35.124 35.638 -0.514 1
1 1300 . 1 1 1 A 119 119 VAL N N 128 119.903 118.751 1.152 1
1 1301 . 1 1 1 A 120 120 ARG H H 129 7.884 8.777 -0.893 1
1 1302 . 1 1 1 A 120 120 ARG HA H 129 4.719 4.556 0.163 1
1 1307 . 1 1 1 A 120 120 ARG CA C 129 55.555 55.675 -0.120 1
1 1308 . 1 1 1 A 120 120 ARG CB C 129 34.945 32.549 2.396 1
1 1311 . 1 1 1 A 120 120 ARG N N 129 122.621 122.126 0.495 1
1 1312 . 1 1 1 A 121 121 GLY H H 130 8.289 7.610 0.679 1
1 1313 . 1 1 1 A 121 121 GLY HA2 H 130 4.605 4.000 0.605 1
1 1314 . 1 1 1 A 121 121 GLY HA3 H 130 3.803 4.009 -0.206 1
1 1315 . 1 1 1 A 121 121 GLY CA C 130 45.756 44.574 1.182 1
1 1316 . 1 1 1 A 121 121 GLY N N 130 107.626 109.261 -1.635 1
1 1317 . 1 1 1 A 122 122 GLN H H 131 8.408 8.684 -0.276 1
1 1318 . 1 1 1 A 122 122 GLN HA H 131 5.434 5.265 0.169 1
1 1323 . 1 1 1 A 122 122 GLN CA C 131 54.809 54.311 0.498 1
1 1324 . 1 1 1 A 122 122 GLN CB C 131 34.756 33.260 1.496 1
1 1326 . 1 1 1 A 122 122 GLN N N 131 114.654 118.641 -3.987 1
1 1328 . 1 1 1 A 123 123 ILE H H 132 9.273 8.417 0.856 1
1 1329 . 1 1 1 A 123 123 ILE HA H 132 5.207 4.697 0.510 1
1 1339 . 1 1 1 A 123 123 ILE CA C 132 59.284 59.878 -0.594 1
1 1340 . 1 1 1 A 123 123 ILE CB C 132 44.085 41.755 2.330 1
1 1344 . 1 1 1 A 123 123 ILE N N 132 118.216 121.637 -3.421 1
1 1345 . 1 1 1 A 124 124 VAL H H 133 8.750 9.259 -0.509 1
1 1346 . 1 1 1 A 124 124 VAL HA H 133 5.338 4.717 0.621 1
1 1354 . 1 1 1 A 124 124 VAL CA C 133 61.611 61.477 0.134 1
1 1355 . 1 1 1 A 124 124 VAL CB C 133 32.620 32.918 -0.298 1
1 1358 . 1 1 1 A 124 124 VAL N N 133 126.088 128.841 -2.753 1
1 1359 . 1 1 1 A 125 125 VAL H H 134 8.698 9.451 -0.753 1
1 1360 . 1 1 1 A 125 125 VAL HA H 134 5.859 5.715 0.144 1
1 1368 . 1 1 1 A 125 125 VAL CA C 134 57.880 59.104 -1.224 1
1 1369 . 1 1 1 A 125 125 VAL CB C 134 36.990 36.585 0.405 1
1 1372 . 1 1 1 A 125 125 VAL N N 134 117.895 121.631 -3.736 1
1 1373 . 1 1 1 A 126 126 SER H H 135 8.746 8.805 -0.059 1
1 1374 . 1 1 1 A 126 126 SER HA H 135 4.881 5.308 -0.427 1
1 1377 . 1 1 1 A 126 126 SER CA C 135 56.860 56.850 0.010 1
1 1378 . 1 1 1 A 126 126 SER CB C 135 66.695 65.998 0.697 1
1 1379 . 1 1 1 A 126 126 SER N N 135 112.967 116.049 -3.082 1
1 1380 . 1 1 1 A 127 127 LEU H H 136 9.710 9.005 0.705 1
1 1381 . 1 1 1 A 127 127 LEU HA H 136 5.244 4.964 0.280 1
1 1390 . 1 1 1 A 127 127 LEU CA C 136 54.436 53.549 0.887 1
1 1391 . 1 1 1 A 127 127 LEU CB C 136 46.137 42.273 3.864 1
1 1395 . 1 1 1 A 127 127 LEU N N 136 125.760 126.594 -0.834 1
1 1396 . 1 1 1 A 128 128 GLN H H 137 9.256 8.361 0.895 1
1 1397 . 1 1 1 A 128 128 GLN HA H 137 5.128 5.700 -0.572 1
1 1404 . 1 1 1 A 128 128 GLN CA C 137 54.063 54.483 -0.420 1
1 1405 . 1 1 1 A 128 128 GLN CB C 137 34.063 32.494 1.569 1
1 1407 . 1 1 1 A 128 128 GLN N N 137 125.526 125.840 -0.314 1
1 1409 . 1 1 1 A 129 129 SER H H 138 8.222 8.681 -0.459 1
1 1410 . 1 1 1 A 129 129 SER HA H 138 4.476 4.599 -0.123 1
1 1413 . 1 1 1 A 129 129 SER CA C 138 60.814 57.801 3.013 1
1 1414 . 1 1 1 A 129 129 SER CB C 138 63.116 64.349 -1.233 1
1 1415 . 1 1 1 A 129 129 SER N N 138 125.620 119.546 6.074 1
1 1416 . 1 1 1 A 130 130 ARG H H 139 8.032 8.321 -0.289 1
1 1417 . 1 1 1 A 130 130 ARG HA H 139 4.601 4.560 0.041 1
1 1424 . 1 1 1 A 130 130 ARG CA C 139 53.934 55.401 -1.467 1
1 1425 . 1 1 1 A 130 130 ARG CB C 139 32.334 31.586 0.748 1
1 1428 . 1 1 1 A 130 130 ARG N N 139 123.136 123.861 -0.725 1
1 6 . 2 1 1 A 2 2 PRO HA H 11 4.498 4.654 -0.156 1
1 11 . 2 1 1 A 2 2 PRO CA C 11 63.103 62.854 0.249 1
1 12 . 2 1 1 A 2 2 PRO CB C 11 32.993 32.392 0.601 1
1 15 . 2 1 1 A 3 3 VAL H H 12 8.356 8.438 -0.082 1
1 16 . 2 1 1 A 3 3 VAL HA H 12 4.370 4.559 -0.189 1
1 24 . 2 1 1 A 3 3 VAL CA C 12 60.982 60.522 0.460 1
1 25 . 2 1 1 A 3 3 VAL CB C 12 34.005 33.830 0.175 1
1 28 . 2 1 1 A 3 3 VAL N N 12 119.528 121.287 -1.759 1
1 29 . 2 1 1 A 4 4 LYS H H 13 8.542 8.821 -0.279 1
1 30 . 2 1 1 A 4 4 LYS HA H 13 4.752 4.684 0.068 1
1 38 . 2 1 1 A 4 4 LYS CA C 13 55.339 55.523 -0.184 1
1 39 . 2 1 1 A 4 4 LYS CB C 13 33.640 33.510 0.130 1
1 43 . 2 1 1 A 4 4 LYS N N 13 125.901 129.777 -3.876 1
1 44 . 2 1 1 A 5 5 LEU H H 14 8.887 8.731 0.156 1
1 45 . 2 1 1 A 5 5 LEU HA H 14 4.927 5.145 -0.218 1
1 51 . 2 1 1 A 5 5 LEU CA C 14 52.944 53.595 -0.651 1
1 52 . 2 1 1 A 5 5 LEU CB C 14 47.069 44.937 2.132 1
1 54 . 2 1 1 A 5 5 LEU N N 14 126.276 128.913 -2.637 1
1 55 . 2 1 1 A 6 6 ARG H H 15 9.361 8.784 0.577 1
1 56 . 2 1 1 A 6 6 ARG HA H 15 5.205 5.066 0.139 1
1 61 . 2 1 1 A 6 6 ARG CA C 15 55.064 54.722 0.342 1
1 62 . 2 1 1 A 6 6 ARG CB C 15 31.979 32.376 -0.397 1
1 64 . 2 1 1 A 6 6 ARG N N 15 123.745 128.826 -5.081 1
1 65 . 2 1 1 A 7 7 LEU H H 16 9.694 8.764 0.930 1
1 66 . 2 1 1 A 7 7 LEU HA H 16 5.437 4.937 0.500 1
1 73 . 2 1 1 A 7 7 LEU CA C 16 53.777 53.634 0.143 1
1 74 . 2 1 1 A 7 7 LEU CB C 16 45.577 43.571 2.006 1
1 77 . 2 1 1 A 7 7 LEU N N 16 111.467 128.849 -17.382 1
1 78 . 2 1 1 A 8 8 THR H H 17 9.470 9.186 0.284 1
1 79 . 2 1 1 A 8 8 THR HA H 17 4.904 4.929 -0.025 1
1 84 . 2 1 1 A 8 8 THR CA C 17 62.827 62.332 0.495 1
1 85 . 2 1 1 A 8 8 THR CB C 17 69.540 69.261 0.279 1
1 87 . 2 1 1 A 8 8 THR N N 17 124.589 124.386 0.203 1
1 88 . 2 1 1 A 9 9 VAL H H 18 9.339 9.199 0.140 1
1 89 . 2 1 1 A 9 9 VAL HA H 18 4.374 4.240 0.134 1
1 97 . 2 1 1 A 9 9 VAL CA C 18 61.708 62.674 -0.966 1
1 98 . 2 1 1 A 9 9 VAL CB C 18 31.021 30.890 0.131 1
1 101 . 2 1 1 A 9 9 VAL N N 18 127.963 127.568 0.395 1
1 102 . 2 1 1 A 10 10 LEU H H 19 8.957 8.457 0.500 1
1 103 . 2 1 1 A 10 10 LEU HA H 19 4.334 4.319 0.015 1
1 113 . 2 1 1 A 10 10 LEU CA C 19 59.232 57.681 1.551 1
1 114 . 2 1 1 A 10 10 LEU CB C 19 43.525 42.823 0.702 1
1 118 . 2 1 1 A 10 10 LEU N N 19 127.775 129.643 -1.868 1
1 119 . 2 1 1 A 11 11 CYS H H 20 8.038 7.432 0.606 1
1 120 . 2 1 1 A 11 11 CYS HA H 20 5.152 4.601 0.551 1
1 123 . 2 1 1 A 11 11 CYS CA C 20 55.928 57.149 -1.221 1
1 124 . 2 1 1 A 11 11 CYS CB C 20 30.655 30.149 0.506 1
1 125 . 2 1 1 A 11 11 CYS N N 20 109.968 113.067 -3.099 1
1 126 . 2 1 1 A 12 12 ALA H H 21 8.485 8.222 0.263 1
1 127 . 2 1 1 A 12 12 ALA HA H 21 5.397 5.490 -0.093 1
1 131 . 2 1 1 A 12 12 ALA CA C 21 50.707 50.495 0.212 1
1 132 . 2 1 1 A 12 12 ALA CB C 21 22.550 23.362 -0.812 1
1 133 . 2 1 1 A 12 12 ALA N N 21 119.247 123.682 -4.435 1
1 134 . 2 1 1 A 13 13 LYS H H 22 8.905 8.825 0.080 1
1 135 . 2 1 1 A 13 13 LYS HA H 22 5.144 4.728 0.416 1
1 141 . 2 1 1 A 13 13 LYS CA C 22 54.063 54.660 -0.597 1
1 142 . 2 1 1 A 13 13 LYS CB C 22 37.217 36.042 1.175 1
1 146 . 2 1 1 A 13 13 LYS N N 22 117.934 118.796 -0.862 1
1 147 . 2 1 1 A 14 14 ASN H H 23 9.099 9.037 0.062 1
1 148 . 2 1 1 A 14 14 ASN HA H 23 4.187 4.309 -0.122 1
1 153 . 2 1 1 A 14 14 ASN CA C 23 53.735 53.827 -0.092 1
1 154 . 2 1 1 A 14 14 ASN CB C 23 37.736 36.898 0.838 1
1 155 . 2 1 1 A 14 14 ASN N N 23 118.684 120.215 -1.531 1
1 157 . 2 1 1 A 15 15 LEU H H 24 8.294 7.701 0.593 1
1 158 . 2 1 1 A 15 15 LEU HA H 24 5.161 4.241 0.920 1
1 165 . 2 1 1 A 15 15 LEU CA C 24 55.261 54.815 0.446 1
1 166 . 2 1 1 A 15 15 LEU CB C 24 42.966 41.545 1.421 1
1 169 . 2 1 1 A 15 15 LEU N N 24 114.373 119.810 -5.437 1
1 170 . 2 1 1 A 16 16 VAL H H 25 8.533 8.469 0.064 1
1 171 . 2 1 1 A 16 16 VAL HA H 25 3.635 3.950 -0.315 1
1 179 . 2 1 1 A 16 16 VAL CA C 25 62.318 63.204 -0.886 1
1 180 . 2 1 1 A 16 16 VAL CB C 25 33.064 32.246 0.818 1
1 183 . 2 1 1 A 16 16 VAL N N 25 119.200 125.328 -6.128 1
1 184 . 2 1 1 A 17 17 LYS H H 26 7.950 8.322 -0.372 1
1 185 . 2 1 1 A 17 17 LYS HA H 26 4.302 3.982 0.320 1
1 192 . 2 1 1 A 17 17 LYS CA C 26 54.150 58.628 -4.478 1
1 193 . 2 1 1 A 17 17 LYS CB C 26 33.826 31.939 1.887 1
1 197 . 2 1 1 A 17 17 LYS N N 26 128.056 126.390 1.666 1
1 198 . 2 1 1 A 18 18 LYS H H 27 8.549 7.813 0.736 1
1 199 . 2 1 1 A 18 18 LYS HA H 27 4.078 3.825 0.253 1
1 207 . 2 1 1 A 18 18 LYS CA C 27 58.626 58.678 -0.052 1
1 208 . 2 1 1 A 18 18 LYS CB C 27 33.826 31.028 2.798 1
1 211 . 2 1 1 A 18 18 LYS N N 27 125.760 114.172 11.588 1
1 212 . 2 1 1 A 19 19 ASP H H 28 8.438 8.314 0.124 1
1 213 . 2 1 1 A 19 19 ASP HA H 28 4.801 4.877 -0.076 1
1 216 . 2 1 1 A 19 19 ASP CA C 28 52.964 53.200 -0.236 1
1 217 . 2 1 1 A 19 19 ASP CB C 28 43.518 42.334 1.184 1
1 218 . 2 1 1 A 19 19 ASP N N 28 119.247 118.361 0.886 1
1 219 . 2 1 1 A 20 20 PHE H H 29 8.506 8.841 -0.335 1
1 220 . 2 1 1 A 20 20 PHE HA H 29 4.049 4.114 -0.065 1
1 227 . 2 1 1 A 20 20 PHE CA C 29 60.767 60.868 -0.101 1
1 228 . 2 1 1 A 20 20 PHE CB C 29 39.305 39.437 -0.132 1
1 231 . 2 1 1 A 20 20 PHE N N 29 122.011 122.813 -0.802 1
1 232 . 2 1 1 A 21 21 PHE H H 30 8.350 8.463 -0.113 1
1 233 . 2 1 1 A 21 21 PHE HA H 30 4.677 4.160 0.517 1
1 240 . 2 1 1 A 21 21 PHE CA C 30 57.789 61.432 -3.643 1
1 241 . 2 1 1 A 21 21 PHE CB C 30 40.824 39.345 1.479 1
1 244 . 2 1 1 A 21 21 PHE N N 30 113.764 118.047 -4.283 1
1 245 . 2 1 1 A 22 22 ARG H H 31 7.631 8.135 -0.504 1
1 246 . 2 1 1 A 22 22 ARG HA H 31 4.614 4.480 0.134 1
1 252 . 2 1 1 A 22 22 ARG CA C 31 55.325 55.998 -0.673 1
1 253 . 2 1 1 A 22 22 ARG CB C 31 33.640 31.886 1.754 1
1 256 . 2 1 1 A 22 22 ARG N N 31 118.778 118.487 0.291 1
1 257 . 2 1 1 A 23 23 LEU H H 32 8.699 8.478 0.221 1
1 258 . 2 1 1 A 23 23 LEU HA H 32 4.509 4.867 -0.358 1
1 268 . 2 1 1 A 23 23 LEU CA C 32 52.758 50.855 1.903 1
1 269 . 2 1 1 A 23 23 LEU CB C 32 42.593 45.963 -3.370 1
1 273 . 2 1 1 A 23 23 LEU N N 32 123.464 121.258 2.206 1
1 274 . 2 1 1 A 24 24 PRO HA H 33 4.648 5.216 -0.568 1
1 281 . 2 1 1 A 24 24 PRO CA C 33 62.753 62.233 0.520 1
1 282 . 2 1 1 A 24 24 PRO CB C 33 33.965 32.526 1.439 1
1 285 . 2 1 1 A 25 25 ASP H H 34 7.463 8.653 -1.190 1
1 286 . 2 1 1 A 25 25 ASP HA H 34 6.052 5.932 0.120 1
1 289 . 2 1 1 A 25 25 ASP CA C 34 51.080 51.812 -0.732 1
1 290 . 2 1 1 A 25 25 ASP CB C 34 42.779 41.698 1.081 1
1 291 . 2 1 1 A 25 25 ASP N N 34 117.091 121.558 -4.467 1
1 292 . 2 1 1 A 26 26 PRO HA H 35 5.968 5.003 0.965 1
1 299 . 2 1 1 A 26 26 PRO CA C 35 62.827 62.888 -0.061 1
1 300 . 2 1 1 A 26 26 PRO CB C 35 35.132 32.796 2.336 1
1 303 . 2 1 1 A 27 27 PHE H H 36 9.284 8.797 0.487 1
1 304 . 2 1 1 A 27 27 PHE HA H 36 5.009 5.299 -0.290 1
1 312 . 2 1 1 A 27 27 PHE CA C 36 56.301 56.112 0.189 1
1 313 . 2 1 1 A 27 27 PHE CB C 36 42.689 41.548 1.141 1
1 317 . 2 1 1 A 27 27 PHE N N 36 120.090 118.756 1.334 1
1 318 . 2 1 1 A 28 28 ALA H H 37 8.408 8.658 -0.250 1
1 319 . 2 1 1 A 28 28 ALA HA H 37 5.481 5.215 0.266 1
1 323 . 2 1 1 A 28 28 ALA CA C 37 49.186 49.986 -0.800 1
1 324 . 2 1 1 A 28 28 ALA CB C 37 20.389 22.923 -2.534 1
1 325 . 2 1 1 A 28 28 ALA N N 37 122.433 121.314 1.119 1
1 326 . 2 1 1 A 29 29 LYS H H 38 9.617 8.773 0.844 1
1 327 . 2 1 1 A 29 29 LYS HA H 38 5.267 5.455 -0.188 1
1 335 . 2 1 1 A 29 29 LYS CA C 38 54.901 54.788 0.113 1
1 336 . 2 1 1 A 29 29 LYS CB C 38 36.624 36.732 -0.108 1
1 340 . 2 1 1 A 29 29 LYS N N 38 121.964 118.246 3.718 1
1 341 . 2 1 1 A 30 30 VAL H H 39 9.159 8.714 0.445 1
1 342 . 2 1 1 A 30 30 VAL HA H 39 4.494 4.968 -0.474 1
1 350 . 2 1 1 A 30 30 VAL CA C 39 61.335 60.821 0.514 1
1 351 . 2 1 1 A 30 30 VAL CB C 39 34.954 34.288 0.666 1
1 354 . 2 1 1 A 30 30 VAL N N 39 124.497 121.635 2.862 1
1 355 . 2 1 1 A 31 31 VAL H H 40 8.659 8.660 -0.001 1
1 356 . 2 1 1 A 31 31 VAL HA H 40 5.091 4.848 0.243 1
1 364 . 2 1 1 A 31 31 VAL CA C 40 59.898 59.651 0.247 1
1 365 . 2 1 1 A 31 31 VAL CB C 40 36.959 35.681 1.278 1
1 368 . 2 1 1 A 31 31 VAL N N 40 124.589 120.780 3.809 1
1 369 . 2 1 1 A 32 32 VAL H H 41 7.786 8.849 -1.063 1
1 370 . 2 1 1 A 32 32 VAL HA H 41 4.660 4.593 0.067 1
1 378 . 2 1 1 A 32 32 VAL CA C 41 62.268 61.132 1.136 1
1 379 . 2 1 1 A 32 32 VAL CB C 41 30.995 32.385 -1.390 1
1 382 . 2 1 1 A 32 32 VAL N N 41 125.385 125.885 -0.500 1
1 383 . 2 1 1 A 33 33 ASP H H 42 8.568 8.365 0.203 1
1 384 . 2 1 1 A 33 33 ASP HA H 42 4.310 4.506 -0.196 1
1 386 . 2 1 1 A 33 33 ASP CA C 42 57.321 54.404 2.917 1
1 387 . 2 1 1 A 33 33 ASP CB C 42 40.727 39.993 0.734 1
1 388 . 2 1 1 A 33 33 ASP N N 42 130.868 128.427 2.441 1
1 389 . 2 1 1 A 34 34 GLY HA2 H 43 4.230 4.088 0.142 1
1 390 . 2 1 1 A 34 34 GLY HA3 H 43 3.818 4.094 -0.276 1
1 391 . 2 1 1 A 34 34 GLY CA C 43 46.510 45.418 1.092 1
1 392 . 2 1 1 A 35 35 SER H H 44 8.049 7.947 0.102 1
1 393 . 2 1 1 A 35 35 SER HA H 44 4.928 4.949 -0.021 1
1 396 . 2 1 1 A 35 35 SER CA C 44 58.067 57.457 0.610 1
1 397 . 2 1 1 A 35 35 SER CB C 44 67.393 66.603 0.790 1
1 398 . 2 1 1 A 35 35 SER N N 44 115.029 116.057 -1.028 1
1 399 . 2 1 1 A 36 36 GLY H H 45 8.637 8.459 0.178 1
1 400 . 2 1 1 A 36 36 GLY HA2 H 45 4.338 3.995 0.343 1
1 401 . 2 1 1 A 36 36 GLY HA3 H 45 3.884 3.996 -0.112 1
1 402 . 2 1 1 A 36 36 GLY CA C 45 46.137 45.764 0.373 1
1 403 . 2 1 1 A 36 36 GLY N N 45 109.265 111.630 -2.365 1
1 404 . 2 1 1 A 37 37 GLN H H 46 8.329 7.633 0.696 1
1 405 . 2 1 1 A 37 37 GLN HA H 46 4.339 4.639 -0.300 1
1 412 . 2 1 1 A 37 37 GLN CA C 46 56.002 55.487 0.515 1
1 413 . 2 1 1 A 37 37 GLN CB C 46 30.241 29.372 0.869 1
1 415 . 2 1 1 A 37 37 GLN N N 46 120.699 119.086 1.613 1
1 417 . 2 1 1 A 38 38 CYS H H 47 7.787 8.834 -1.047 1
1 418 . 2 1 1 A 38 38 CYS HA H 47 5.257 5.966 -0.709 1
1 420 . 2 1 1 A 38 38 CYS CA C 47 56.761 56.988 -0.227 1
1 421 . 2 1 1 A 38 38 CYS CB C 47 29.250 30.812 -1.562 1
1 422 . 2 1 1 A 38 38 CYS N N 47 124.214 122.587 1.627 1
1 423 . 2 1 1 A 39 39 HIS H H 48 8.906 8.558 0.348 1
1 424 . 2 1 1 A 39 39 HIS HA H 48 4.730 5.023 -0.293 1
1 428 . 2 1 1 A 39 39 HIS CA C 48 54.888 54.223 0.665 1
1 429 . 2 1 1 A 39 39 HIS CB C 48 34.688 34.576 0.112 1
1 431 . 2 1 1 A 39 39 HIS N N 48 125.807 119.854 5.953 1
1 432 . 2 1 1 A 40 40 SER H H 49 8.728 8.717 0.011 1
1 433 . 2 1 1 A 40 40 SER HA H 49 5.732 5.321 0.411 1
1 436 . 2 1 1 A 40 40 SER CA C 49 57.041 57.199 -0.158 1
1 437 . 2 1 1 A 40 40 SER CB C 49 66.274 66.376 -0.102 1
1 438 . 2 1 1 A 40 40 SER N N 49 116.034 114.307 1.727 1
1 439 . 2 1 1 A 41 41 THR H H 50 9.212 8.903 0.309 1
1 440 . 2 1 1 A 41 41 THR HA H 50 4.477 5.037 -0.560 1
1 445 . 2 1 1 A 41 41 THR CA C 50 61.457 59.803 1.654 1
1 446 . 2 1 1 A 41 41 THR CB C 50 72.337 70.664 1.673 1
1 448 . 2 1 1 A 41 41 THR N N 50 115.404 113.061 2.343 1
1 449 . 2 1 1 A 42 42 ASP H H 51 9.424 8.699 0.725 1
1 450 . 2 1 1 A 42 42 ASP HA H 51 4.676 4.576 0.100 1
1 453 . 2 1 1 A 42 42 ASP CA C 51 54.996 54.457 0.539 1
1 454 . 2 1 1 A 42 42 ASP CB C 51 41.543 41.244 0.299 1
1 455 . 2 1 1 A 42 42 ASP N N 51 119.340 122.484 -3.144 1
1 456 . 2 1 1 A 43 43 THR H H 52 8.650 8.475 0.175 1
1 457 . 2 1 1 A 43 43 THR HA H 52 4.858 4.961 -0.103 1
1 462 . 2 1 1 A 43 43 THR CA C 52 62.637 62.070 0.567 1
1 463 . 2 1 1 A 43 43 THR CB C 52 70.191 70.440 -0.249 1
1 465 . 2 1 1 A 43 43 THR N N 52 117.836 117.980 -0.144 1
1 466 . 2 1 1 A 44 44 VAL H H 53 8.266 9.071 -0.805 1
1 467 . 2 1 1 A 44 44 VAL HA H 53 4.363 4.515 -0.152 1
1 475 . 2 1 1 A 44 44 VAL CA C 53 61.086 61.164 -0.078 1
1 476 . 2 1 1 A 44 44 VAL CB C 53 33.361 32.840 0.521 1
1 479 . 2 1 1 A 44 44 VAL N N 53 127.775 127.097 0.678 1
1 480 . 2 1 1 A 45 45 LYS H H 54 8.163 8.687 -0.524 1
1 481 . 2 1 1 A 45 45 LYS HA H 54 4.229 4.583 -0.354 1
1 487 . 2 1 1 A 45 45 LYS CA C 54 56.627 57.096 -0.469 1
1 488 . 2 1 1 A 45 45 LYS CB C 54 33.739 32.597 1.142 1
1 492 . 2 1 1 A 45 45 LYS N N 54 120.934 127.528 -6.594 1
1 493 . 2 1 1 A 46 46 ASN H H 55 9.642 8.771 0.871 1
1 494 . 2 1 1 A 46 46 ASN HA H 55 4.150 4.475 -0.325 1
1 499 . 2 1 1 A 46 46 ASN CA C 55 54.029 53.810 0.219 1
1 500 . 2 1 1 A 46 46 ASN CB C 55 38.668 36.200 2.468 1
1 501 . 2 1 1 A 46 46 ASN N N 55 121.215 121.968 -0.753 1
1 503 . 2 1 1 A 47 47 THR H H 56 8.246 8.111 0.135 1
1 504 . 2 1 1 A 47 47 THR HA H 56 4.661 4.834 -0.173 1
1 509 . 2 1 1 A 47 47 THR CA C 56 60.963 60.263 0.700 1
1 510 . 2 1 1 A 47 47 THR CB C 56 68.512 69.974 -1.462 1
1 512 . 2 1 1 A 47 47 THR N N 56 111.936 117.691 -5.755 1
1 513 . 2 1 1 A 48 48 LEU H H 57 8.245 8.510 -0.265 1
1 514 . 2 1 1 A 48 48 LEU HA H 57 4.410 4.679 -0.269 1
1 524 . 2 1 1 A 48 48 LEU CA C 57 53.641 54.216 -0.575 1
1 525 . 2 1 1 A 48 48 LEU CB C 57 41.570 42.887 -1.317 1
1 529 . 2 1 1 A 48 48 LEU N N 57 122.433 124.440 -2.007 1
1 530 . 2 1 1 A 49 49 ASP H H 58 8.544 7.774 0.770 1
1 531 . 2 1 1 A 49 49 ASP HA H 58 5.419 4.966 0.453 1
1 534 . 2 1 1 A 49 49 ASP CA C 58 51.826 51.825 0.001 1
1 535 . 2 1 1 A 49 49 ASP CB C 58 44.085 40.952 3.133 1
1 536 . 2 1 1 A 49 49 ASP N N 58 116.903 119.814 -2.911 1
1 537 . 2 1 1 A 50 50 PRO HA H 59 3.790 4.474 -0.684 1
1 543 . 2 1 1 A 50 50 PRO CA C 59 63.219 62.038 1.181 1
1 544 . 2 1 1 A 50 50 PRO CB C 59 32.661 32.833 -0.172 1
1 547 . 2 1 1 A 51 51 LYS H H 60 7.806 7.943 -0.137 1
1 548 . 2 1 1 A 51 51 LYS HA H 60 4.224 4.659 -0.435 1
1 555 . 2 1 1 A 51 51 LYS CA C 60 55.521 54.811 0.710 1
1 556 . 2 1 1 A 51 51 LYS CB C 60 33.826 36.151 -2.325 1
1 560 . 2 1 1 A 51 51 LYS N N 60 119.996 116.627 3.369 1
1 561 . 2 1 1 A 52 52 TRP H H 61 7.791 8.460 -0.669 1
1 562 . 2 1 1 A 52 52 TRP HA H 61 4.824 4.847 -0.023 1
1 570 . 2 1 1 A 52 52 TRP CA C 61 60.590 57.635 2.955 1
1 571 . 2 1 1 A 52 52 TRP CB C 61 29.715 31.339 -1.624 1
1 576 . 2 1 1 A 52 52 TRP N N 61 122.386 120.455 1.931 1
1 578 . 2 1 1 A 53 53 ASN H H 62 9.040 8.107 0.933 1
1 579 . 2 1 1 A 53 53 ASN HA H 62 4.419 4.469 -0.050 1
1 584 . 2 1 1 A 53 53 ASN CA C 62 53.789 54.088 -0.299 1
1 585 . 2 1 1 A 53 53 ASN CB C 62 37.922 36.234 1.688 1
1 586 . 2 1 1 A 53 53 ASN N N 62 117.185 117.521 -0.336 1
1 588 . 2 1 1 A 54 54 GLN H H 63 7.512 7.368 0.144 1
1 589 . 2 1 1 A 54 54 GLN HA H 63 4.584 4.594 -0.010 1
1 596 . 2 1 1 A 54 54 GLN CA C 63 55.008 54.295 0.713 1
1 597 . 2 1 1 A 54 54 GLN CB C 63 34.938 31.031 3.907 1
1 599 . 2 1 1 A 54 54 GLN N N 63 116.341 118.369 -2.028 1
1 601 . 2 1 1 A 55 55 HIS H H 64 7.782 7.920 -0.138 1
1 602 . 2 1 1 A 55 55 HIS HA H 64 5.796 6.022 -0.226 1
1 606 . 2 1 1 A 55 55 HIS CA C 64 53.059 53.226 -0.167 1
1 607 . 2 1 1 A 55 55 HIS CB C 64 34.378 33.087 1.291 1
1 609 . 2 1 1 A 55 55 HIS N N 64 118.403 117.862 0.541 1
1 610 . 2 1 1 A 56 56 TYR H H 65 8.657 8.812 -0.155 1
1 611 . 2 1 1 A 56 56 TYR HA H 65 4.404 4.844 -0.440 1
1 618 . 2 1 1 A 56 56 TYR CA C 65 57.430 56.318 1.112 1
1 619 . 2 1 1 A 56 56 TYR CB C 65 42.958 41.702 1.256 1
1 622 . 2 1 1 A 56 56 TYR N N 65 116.435 119.874 -3.439 1
1 623 . 2 1 1 A 57 57 ASP H H 66 8.772 8.810 -0.038 1
1 624 . 2 1 1 A 57 57 ASP HA H 66 5.283 5.189 0.094 1
1 627 . 2 1 1 A 57 57 ASP CA C 66 54.250 53.792 0.458 1
1 628 . 2 1 1 A 57 57 ASP CB C 66 40.914 41.640 -0.726 1
1 629 . 2 1 1 A 57 57 ASP N N 66 124.776 122.941 1.835 1
1 630 . 2 1 1 A 58 58 LEU H H 67 9.175 8.735 0.440 1
1 631 . 2 1 1 A 58 58 LEU HA H 67 4.589 4.844 -0.255 1
1 641 . 2 1 1 A 58 58 LEU CA C 67 53.131 53.455 -0.324 1
1 642 . 2 1 1 A 58 58 LEU CB C 67 45.060 45.009 0.051 1
1 645 . 2 1 1 A 58 58 LEU N N 67 124.558 124.871 -0.313 1
1 646 . 2 1 1 A 59 59 TYR H H 68 8.877 8.591 0.286 1
1 647 . 2 1 1 A 59 59 TYR HA H 68 5.096 5.344 -0.248 1
1 654 . 2 1 1 A 59 59 TYR CA C 68 57.606 58.533 -0.927 1
1 655 . 2 1 1 A 59 59 TYR CB C 68 39.422 39.795 -0.373 1
1 658 . 2 1 1 A 59 59 TYR N N 68 121.215 123.160 -1.945 1
1 659 . 2 1 1 A 60 60 ILE H H 69 9.162 8.461 0.701 1
1 660 . 2 1 1 A 60 60 ILE HA H 69 4.551 4.815 -0.264 1
1 670 . 2 1 1 A 60 60 ILE CA C 69 59.471 59.905 -0.434 1
1 671 . 2 1 1 A 60 60 ILE CB C 69 40.500 40.792 -0.292 1
1 675 . 2 1 1 A 60 60 ILE N N 69 124.823 122.293 2.530 1
1 676 . 2 1 1 A 61 61 GLY H H 70 9.960 8.863 1.097 1
1 677 . 2 1 1 A 61 61 GLY HA2 H 70 4.517 4.373 0.144 1
1 678 . 2 1 1 A 61 61 GLY HA3 H 70 3.881 4.375 -0.494 1
1 679 . 2 1 1 A 61 61 GLY CA C 70 44.083 43.921 0.162 1
1 680 . 2 1 1 A 61 61 GLY N N 70 117.841 115.196 2.645 1
1 681 . 2 1 1 A 62 62 LYS H H 71 8.605 8.905 -0.300 1
1 682 . 2 1 1 A 62 62 LYS HA H 71 4.090 4.139 -0.049 1
1 687 . 2 1 1 A 62 62 LYS CA C 71 59.447 58.801 0.646 1
1 688 . 2 1 1 A 62 62 LYS CB C 71 33.453 32.110 1.343 1
1 692 . 2 1 1 A 62 62 LYS N N 71 119.434 123.197 -3.763 1
1 693 . 2 1 1 A 63 63 SER H H 72 8.544 8.334 0.210 1
1 694 . 2 1 1 A 63 63 SER HA H 72 4.811 4.674 0.137 1
1 696 . 2 1 1 A 63 63 SER CA C 72 57.606 57.046 0.560 1
1 697 . 2 1 1 A 63 63 SER CB C 72 64.013 64.093 -0.080 1
1 698 . 2 1 1 A 63 63 SER N N 72 111.842 116.373 -4.531 1
1 699 . 2 1 1 A 64 64 ASP H H 73 7.247 7.609 -0.362 1
1 700 . 2 1 1 A 64 64 ASP HA H 73 4.867 4.779 0.088 1
1 702 . 2 1 1 A 64 64 ASP CA C 73 55.500 54.337 1.163 1
1 703 . 2 1 1 A 64 64 ASP CB C 73 43.331 42.230 1.101 1
1 704 . 2 1 1 A 64 64 ASP N N 73 121.964 123.040 -1.076 1
1 705 . 2 1 1 A 65 65 SER H H 74 8.742 8.657 0.085 1
1 706 . 2 1 1 A 65 65 SER HA H 74 5.074 5.178 -0.104 1
1 708 . 2 1 1 A 65 65 SER CA C 74 56.301 57.712 -1.411 1
1 709 . 2 1 1 A 65 65 SER CB C 74 67.579 67.007 0.572 1
1 710 . 2 1 1 A 65 65 SER N N 74 111.936 114.744 -2.808 1
1 711 . 2 1 1 A 66 66 VAL H H 75 8.622 8.317 0.305 1
1 712 . 2 1 1 A 66 66 VAL HA H 75 5.095 4.997 0.098 1
1 720 . 2 1 1 A 66 66 VAL CA C 75 60.217 60.646 -0.429 1
1 721 . 2 1 1 A 66 66 VAL CB C 75 36.617 35.636 0.981 1
1 724 . 2 1 1 A 66 66 VAL N N 75 119.422 121.404 -1.982 1
1 725 . 2 1 1 A 67 67 THR H H 76 9.152 8.598 0.554 1
1 726 . 2 1 1 A 67 67 THR HA H 76 5.199 4.992 0.207 1
1 731 . 2 1 1 A 67 67 THR CA C 76 63.014 61.919 1.095 1
1 732 . 2 1 1 A 67 67 THR CB C 76 69.703 71.299 -1.596 1
1 734 . 2 1 1 A 67 67 THR N N 76 123.839 123.076 0.763 1
1 735 . 2 1 1 A 68 68 ILE H H 77 9.106 8.982 0.124 1
1 736 . 2 1 1 A 68 68 ILE HA H 77 5.389 4.877 0.512 1
1 746 . 2 1 1 A 68 68 ILE CA C 77 59.844 60.282 -0.438 1
1 747 . 2 1 1 A 68 68 ILE CB C 77 40.347 39.218 1.129 1
1 751 . 2 1 1 A 68 68 ILE N N 77 129.275 130.111 -0.836 1
1 752 . 2 1 1 A 69 69 SER H H 78 9.645 9.093 0.552 1
1 753 . 2 1 1 A 69 69 SER HA H 78 5.265 5.426 -0.161 1
1 756 . 2 1 1 A 69 69 SER CA C 78 56.114 55.736 0.378 1
1 757 . 2 1 1 A 69 69 SER CB C 78 66.087 66.358 -0.271 1
1 758 . 2 1 1 A 69 69 SER N N 78 120.559 120.778 -0.219 1
1 759 . 2 1 1 A 70 70 VAL H H 79 8.482 8.416 0.066 1
1 760 . 2 1 1 A 70 70 VAL HA H 79 4.676 4.677 -0.001 1
1 768 . 2 1 1 A 70 70 VAL CA C 79 60.852 61.242 -0.390 1
1 769 . 2 1 1 A 70 70 VAL CB C 79 32.992 34.145 -1.153 1
1 772 . 2 1 1 A 70 70 VAL N N 79 121.777 120.166 1.611 1
1 773 . 2 1 1 A 71 71 TRP H H 80 8.627 8.239 0.388 1
1 774 . 2 1 1 A 71 71 TRP HA H 80 4.930 5.095 -0.165 1
1 783 . 2 1 1 A 71 71 TRP CA C 80 55.182 54.781 0.401 1
1 784 . 2 1 1 A 71 71 TRP CB C 80 34.058 32.152 1.906 1
1 790 . 2 1 1 A 71 71 TRP N N 80 124.474 126.465 -1.991 1
1 792 . 2 1 1 A 72 72 ASN H H 81 9.891 8.955 0.936 1
1 793 . 2 1 1 A 72 72 ASN HA H 81 4.789 4.920 -0.131 1
1 798 . 2 1 1 A 72 72 ASN CA C 81 51.049 51.698 -0.649 1
1 799 . 2 1 1 A 72 72 ASN CB C 81 39.091 38.108 0.983 1
1 800 . 2 1 1 A 72 72 ASN N N 81 116.435 122.021 -5.586 1
1 802 . 2 1 1 A 73 73 HIS H H 82 9.967 9.171 0.796 1
1 803 . 2 1 1 A 73 73 HIS HA H 82 4.499 4.363 0.136 1
1 806 . 2 1 1 A 73 73 HIS CA C 82 60.788 60.627 0.161 1
1 807 . 2 1 1 A 73 73 HIS CB C 82 32.327 30.792 1.535 1
1 808 . 2 1 1 A 73 73 HIS N N 82 127.963 126.162 1.801 1
1 809 . 2 1 1 A 74 74 LYS H H 83 7.764 8.314 -0.550 1
1 810 . 2 1 1 A 74 74 LYS HA H 83 4.297 3.885 0.412 1
1 817 . 2 1 1 A 74 74 LYS CA C 83 59.232 59.770 -0.538 1
1 818 . 2 1 1 A 74 74 LYS CB C 83 33.640 32.281 1.359 1
1 822 . 2 1 1 A 74 74 LYS N N 83 112.592 118.104 -5.512 1
1 823 . 2 1 1 A 75 75 LYS H H 84 7.626 7.771 -0.145 1
1 824 . 2 1 1 A 75 75 LYS HA H 84 4.607 4.215 0.392 1
1 832 . 2 1 1 A 75 75 LYS CA C 84 55.828 59.073 -3.245 1
1 833 . 2 1 1 A 75 75 LYS CB C 84 36.064 31.927 4.137 1
1 837 . 2 1 1 A 75 75 LYS N N 84 114.560 119.887 -5.327 1
1 838 . 2 1 1 A 76 76 ILE H H 85 7.021 8.140 -1.119 1
1 839 . 2 1 1 A 76 76 ILE HA H 85 4.132 4.127 0.005 1
1 849 . 2 1 1 A 76 76 ILE CA C 85 64.013 64.122 -0.109 1
1 850 . 2 1 1 A 76 76 ILE CB C 85 39.146 37.456 1.690 1
1 854 . 2 1 1 A 76 76 ILE N N 85 113.811 117.923 -4.112 1
1 855 . 2 1 1 A 77 77 HIS H H 86 8.335 7.646 0.689 1
1 856 . 2 1 1 A 77 77 HIS HA H 86 4.612 4.196 0.416 1
1 859 . 2 1 1 A 77 77 HIS CA C 86 56.815 58.628 -1.813 1
1 860 . 2 1 1 A 77 77 HIS CB C 86 30.461 30.404 0.057 1
1 862 . 2 1 1 A 77 77 HIS N N 86 117.841 122.704 -4.863 1
1 863 . 2 1 1 A 78 78 LYS H H 87 7.587 7.750 -0.163 1
1 864 . 2 1 1 A 78 78 LYS HA H 87 4.094 4.146 -0.052 1
1 870 . 2 1 1 A 78 78 LYS CA C 87 57.628 58.201 -0.573 1
1 871 . 2 1 1 A 78 78 LYS CB C 87 32.893 33.493 -0.600 1
1 875 . 2 1 1 A 78 78 LYS N N 87 120.652 119.312 1.340 1
1 876 . 2 1 1 A 79 79 LYS H H 88 7.585 8.006 -0.421 1
1 877 . 2 1 1 A 79 79 LYS HA H 88 4.304 4.388 -0.084 1
1 883 . 2 1 1 A 79 79 LYS CA C 88 56.467 58.260 -1.793 1
1 884 . 2 1 1 A 79 79 LYS CB C 88 34.013 31.209 2.804 1
1 888 . 2 1 1 A 79 79 LYS N N 88 115.872 118.194 -2.322 1
1 889 . 2 1 1 A 80 80 GLN H H 89 8.625 8.787 -0.162 1
1 890 . 2 1 1 A 80 80 GLN HA H 89 4.192 4.236 -0.044 1
1 893 . 2 1 1 A 80 80 GLN CA C 89 57.590 56.838 0.752 1
1 894 . 2 1 1 A 80 80 GLN CB C 89 28.331 28.461 -0.130 1
1 896 . 2 1 1 A 80 80 GLN N N 89 121.308 120.583 0.725 1
1 897 . 2 1 1 A 81 81 GLY H H 90 8.791 8.854 -0.063 1
1 898 . 2 1 1 A 81 81 GLY HA2 H 90 4.332 3.908 0.424 1
1 899 . 2 1 1 A 81 81 GLY HA3 H 90 3.850 3.939 -0.089 1
1 900 . 2 1 1 A 81 81 GLY CA C 90 45.950 46.876 -0.926 1
1 901 . 2 1 1 A 81 81 GLY N N 90 112.984 110.571 2.413 1
1 902 . 2 1 1 A 82 82 ALA H H 91 7.951 7.620 0.331 1
1 903 . 2 1 1 A 82 82 ALA HA H 91 4.485 4.078 0.407 1
1 907 . 2 1 1 A 82 82 ALA CA C 91 53.404 53.899 -0.495 1
1 908 . 2 1 1 A 82 82 ALA CB C 91 20.762 18.470 2.292 1
1 909 . 2 1 1 A 82 82 ALA N N 91 123.745 123.531 0.214 1
1 910 . 2 1 1 A 83 83 GLY H H 92 8.860 8.912 -0.052 1
1 911 . 2 1 1 A 83 83 GLY HA2 H 92 4.270 4.195 0.075 1
1 912 . 2 1 1 A 83 83 GLY HA3 H 92 4.262 4.267 -0.005 1
1 913 . 2 1 1 A 83 83 GLY CA C 92 46.689 45.261 1.428 1
1 914 . 2 1 1 A 83 83 GLY N N 92 105.564 111.004 -5.440 1
1 915 . 2 1 1 A 84 84 PHE H H 93 8.113 7.977 0.136 1
1 916 . 2 1 1 A 84 84 PHE HA H 93 3.440 4.444 -1.004 1
1 924 . 2 1 1 A 84 84 PHE CA C 93 59.932 56.569 3.363 1
1 925 . 2 1 1 A 84 84 PHE CB C 93 39.141 41.893 -2.752 1
1 929 . 2 1 1 A 84 84 PHE N N 93 121.215 120.045 1.170 1
1 930 . 2 1 1 A 85 85 LEU H H 94 8.204 7.401 0.803 1
1 931 . 2 1 1 A 85 85 LEU HA H 94 4.334 4.220 0.114 1
1 938 . 2 1 1 A 85 85 LEU CA C 94 53.569 55.419 -1.850 1
1 939 . 2 1 1 A 85 85 LEU CB C 94 43.255 43.353 -0.098 1
1 942 . 2 1 1 A 85 85 LEU N N 94 125.432 125.587 -0.155 1
1 943 . 2 1 1 A 86 86 GLY HA2 H 95 4.222 3.768 0.454 1
1 944 . 2 1 1 A 86 86 GLY HA3 H 95 3.147 3.841 -0.694 1
1 945 . 2 1 1 A 86 86 GLY CA C 95 45.570 44.820 0.750 1
1 946 . 2 1 1 A 87 87 CYS H H 96 9.230 8.588 0.642 1
1 947 . 2 1 1 A 87 87 CYS HA H 96 5.838 5.389 0.449 1
1 949 . 2 1 1 A 87 87 CYS CA C 96 55.882 57.530 -1.648 1
1 950 . 2 1 1 A 87 87 CYS CB C 96 33.259 29.339 3.920 1
1 951 . 2 1 1 A 87 87 CYS N N 96 114.935 121.435 -6.500 1
1 952 . 2 1 1 A 88 88 VAL H H 97 9.242 9.053 0.189 1
1 953 . 2 1 1 A 88 88 VAL HA H 97 4.575 4.786 -0.211 1
1 961 . 2 1 1 A 88 88 VAL CA C 97 61.769 60.265 1.504 1
1 962 . 2 1 1 A 88 88 VAL CB C 97 35.684 33.937 1.747 1
1 965 . 2 1 1 A 88 88 VAL N N 97 115.966 125.818 -9.852 1
1 966 . 2 1 1 A 89 89 ARG H H 98 8.665 9.179 -0.514 1
1 967 . 2 1 1 A 89 89 ARG HA H 98 5.166 5.221 -0.055 1
1 973 . 2 1 1 A 89 89 ARG CA C 98 54.929 54.401 0.528 1
1 974 . 2 1 1 A 89 89 ARG CB C 98 31.961 33.798 -1.837 1
1 977 . 2 1 1 A 89 89 ARG N N 98 125.526 130.084 -4.558 1
1 978 . 2 1 1 A 90 90 LEU H H 99 9.611 8.483 1.128 1
1 979 . 2 1 1 A 90 90 LEU HA H 99 4.644 5.233 -0.589 1
1 989 . 2 1 1 A 90 90 LEU CA C 99 53.217 53.356 -0.139 1
1 990 . 2 1 1 A 90 90 LEU CB C 99 43.339 45.684 -2.345 1
1 994 . 2 1 1 A 90 90 LEU N N 99 127.119 126.918 0.201 1
1 995 . 2 1 1 A 91 91 LEU H H 100 7.953 8.738 -0.785 1
1 996 . 2 1 1 A 91 91 LEU HA H 100 4.540 4.767 -0.227 1
1 1005 . 2 1 1 A 91 91 LEU CA C 100 54.523 53.542 0.981 1
1 1006 . 2 1 1 A 91 91 LEU CB C 100 42.593 43.060 -0.467 1
1 1010 . 2 1 1 A 91 91 LEU N N 100 122.527 123.911 -1.384 1
1 1011 . 2 1 1 A 92 92 SER H H 101 8.754 8.955 -0.201 1
1 1012 . 2 1 1 A 92 92 SER HA H 101 3.950 4.114 -0.164 1
1 1013 . 2 1 1 A 92 92 SER CA C 101 63.171 61.604 1.567 1
1 1014 . 2 1 1 A 92 92 SER N N 101 115.966 117.031 -1.065 1
1 1015 . 2 1 1 A 93 93 ASN H H 102 7.765 8.566 -0.801 1
1 1016 . 2 1 1 A 93 93 ASN HA H 102 4.500 4.455 0.045 1
1 1020 . 2 1 1 A 93 93 ASN CA C 102 56.487 56.025 0.462 1
1 1021 . 2 1 1 A 93 93 ASN CB C 102 37.514 37.913 -0.399 1
1 1022 . 2 1 1 A 93 93 ASN N N 102 116.950 117.782 -0.832 1
1 1024 . 2 1 1 A 94 94 ALA H H 103 7.345 7.596 -0.251 1
1 1025 . 2 1 1 A 94 94 ALA HA H 103 4.230 4.112 0.118 1
1 1029 . 2 1 1 A 94 94 ALA CA C 103 54.843 55.080 -0.237 1
1 1030 . 2 1 1 A 94 94 ALA CB C 103 19.643 18.430 1.213 1
1 1031 . 2 1 1 A 94 94 ALA N N 103 124.495 121.971 2.524 1
1 1032 . 2 1 1 A 95 95 ILE H H 104 8.322 8.172 0.150 1
1 1033 . 2 1 1 A 95 95 ILE HA H 104 3.280 3.595 -0.315 1
1 1043 . 2 1 1 A 95 95 ILE CA C 104 66.184 64.720 1.464 1
1 1044 . 2 1 1 A 95 95 ILE CB C 104 37.922 37.444 0.478 1
1 1048 . 2 1 1 A 95 95 ILE N N 104 119.310 119.353 -0.043 1
1 1049 . 2 1 1 A 96 96 ASN H H 105 7.815 7.721 0.094 1
1 1050 . 2 1 1 A 96 96 ASN HA H 105 4.332 4.468 -0.136 1
1 1052 . 2 1 1 A 96 96 ASN CA C 105 56.487 56.011 0.476 1
1 1053 . 2 1 1 A 96 96 ASN CB C 105 38.855 38.160 0.695 1
1 1054 . 2 1 1 A 96 96 ASN N N 105 114.748 118.912 -4.164 1
1 1055 . 2 1 1 A 97 97 ARG H H 106 7.595 7.730 -0.135 1
1 1056 . 2 1 1 A 97 97 ARG HA H 106 4.257 4.089 0.168 1
1 1061 . 2 1 1 A 97 97 ARG CA C 106 58.294 58.874 -0.580 1
1 1062 . 2 1 1 A 97 97 ARG CB C 106 31.401 29.888 1.513 1
1 1065 . 2 1 1 A 97 97 ARG N N 106 117.934 119.180 -1.246 1
1 1066 . 2 1 1 A 98 98 LEU H H 107 8.179 8.418 -0.239 1
1 1067 . 2 1 1 A 98 98 LEU HA H 107 4.288 4.659 -0.371 1
1 1077 . 2 1 1 A 98 98 LEU CA C 107 55.735 57.524 -1.789 1
1 1078 . 2 1 1 A 98 98 LEU CB C 107 44.264 41.466 2.798 1
1 1082 . 2 1 1 A 98 98 LEU N N 107 116.341 119.407 -3.066 1
1 1083 . 2 1 1 A 99 99 LYS H H 108 8.058 8.718 -0.660 1
1 1084 . 2 1 1 A 99 99 LYS HA H 108 4.078 4.050 0.028 1
1 1091 . 2 1 1 A 99 99 LYS CA C 108 58.256 58.955 -0.699 1
1 1092 . 2 1 1 A 99 99 LYS CB C 108 32.520 32.068 0.452 1
1 1096 . 2 1 1 A 99 99 LYS N N 108 123.558 117.906 5.652 1
1 1097 . 2 1 1 A 100 100 ASP H H 109 9.305 7.364 1.941 1
1 1098 . 2 1 1 A 100 100 ASP HA H 109 4.672 4.543 0.129 1
1 1101 . 2 1 1 A 100 100 ASP CA C 109 57.047 56.210 0.837 1
1 1102 . 2 1 1 A 100 100 ASP CB C 109 39.041 40.977 -1.936 1
1 1103 . 2 1 1 A 100 100 ASP N N 109 115.779 119.692 -3.913 1
1 1104 . 2 1 1 A 101 101 THR H H 110 7.546 7.660 -0.114 1
1 1105 . 2 1 1 A 101 101 THR HA H 110 4.675 4.187 0.488 1
1 1110 . 2 1 1 A 101 101 THR CA C 110 61.895 63.678 -1.783 1
1 1111 . 2 1 1 A 101 101 THR CB C 110 70.432 69.553 0.879 1
1 1113 . 2 1 1 A 101 101 THR N N 110 129.087 109.054 20.033 1
1 1114 . 2 1 1 A 102 102 GLY H H 111 8.921 7.647 1.274 1
1 1115 . 2 1 1 A 102 102 GLY HA2 H 111 4.337 4.029 0.308 1
1 1116 . 2 1 1 A 102 102 GLY HA3 H 111 3.563 4.125 -0.562 1
1 1117 . 2 1 1 A 102 102 GLY CA C 111 44.062 44.537 -0.475 1
1 1118 . 2 1 1 A 102 102 GLY N N 111 112.780 109.833 2.947 1
1 1119 . 2 1 1 A 103 103 TYR H H 112 8.255 8.313 -0.058 1
1 1120 . 2 1 1 A 103 103 TYR HA H 112 4.574 4.961 -0.387 1
1 1127 . 2 1 1 A 103 103 TYR CA C 112 59.745 57.988 1.757 1
1 1128 . 2 1 1 A 103 103 TYR CB C 112 38.295 37.012 1.283 1
1 1131 . 2 1 1 A 103 103 TYR N N 112 117.653 121.752 -4.099 1
1 1132 . 2 1 1 A 104 104 GLN H H 113 9.435 8.731 0.704 1
1 1133 . 2 1 1 A 104 104 GLN HA H 113 4.659 4.887 -0.228 1
1 1140 . 2 1 1 A 104 104 GLN CA C 113 53.852 54.407 -0.555 1
1 1141 . 2 1 1 A 104 104 GLN CB C 113 31.128 30.799 0.329 1
1 1143 . 2 1 1 A 104 104 GLN N N 113 121.964 122.245 -0.281 1
1 1145 . 2 1 1 A 105 105 ARG H H 114 8.670 8.917 -0.247 1
1 1146 . 2 1 1 A 105 105 ARG HA H 114 4.838 4.772 0.066 1
1 1151 . 2 1 1 A 105 105 ARG CA C 114 55.090 56.059 -0.969 1
1 1152 . 2 1 1 A 105 105 ARG CB C 114 31.401 30.680 0.721 1
1 1155 . 2 1 1 A 105 105 ARG N N 114 122.246 124.857 -2.611 1
1 1156 . 2 1 1 A 106 106 LEU H H 115 9.269 8.909 0.360 1
1 1157 . 2 1 1 A 106 106 LEU HA H 115 4.843 4.861 -0.018 1
1 1163 . 2 1 1 A 106 106 LEU CA C 115 53.317 53.674 -0.357 1
1 1164 . 2 1 1 A 106 106 LEU CB C 115 44.570 42.913 1.657 1
1 1166 . 2 1 1 A 106 106 LEU N N 115 126.088 126.400 -0.312 1
1 1167 . 2 1 1 A 107 107 ASP H H 116 8.582 8.690 -0.108 1
1 1168 . 2 1 1 A 107 107 ASP HA H 116 4.748 4.512 0.236 1
1 1171 . 2 1 1 A 107 107 ASP CA C 116 55.402 54.731 0.671 1
1 1172 . 2 1 1 A 107 107 ASP CB C 116 41.280 41.318 -0.038 1
1 1173 . 2 1 1 A 107 107 ASP N N 116 122.714 125.349 -2.635 1
1 1174 . 2 1 1 A 108 108 LEU H H 117 8.067 8.585 -0.518 1
1 1175 . 2 1 1 A 108 108 LEU HA H 117 4.195 4.821 -0.626 1
1 1185 . 2 1 1 A 108 108 LEU CA C 117 55.308 54.053 1.255 1
1 1186 . 2 1 1 A 108 108 LEU CB C 117 42.871 41.316 1.555 1
1 1190 . 2 1 1 A 108 108 LEU N N 117 121.121 123.837 -2.716 1
1 1191 . 2 1 1 A 109 109 CYS H H 118 9.705 8.749 0.956 1
1 1192 . 2 1 1 A 109 109 CYS HA H 118 4.839 5.200 -0.361 1
1 1195 . 2 1 1 A 109 109 CYS CA C 118 57.979 57.650 0.329 1
1 1196 . 2 1 1 A 109 109 CYS CB C 118 31.953 32.784 -0.831 1
1 1197 . 2 1 1 A 109 109 CYS N N 118 118.403 123.135 -4.732 1
1 1198 . 2 1 1 A 110 110 LYS H H 119 8.419 8.377 0.042 1
1 1199 . 2 1 1 A 110 110 LYS HA H 119 4.426 4.540 -0.114 1
1 1207 . 2 1 1 A 110 110 LYS CA C 119 56.957 56.504 0.453 1
1 1208 . 2 1 1 A 110 110 LYS CB C 119 34.386 33.153 1.233 1
1 1212 . 2 1 1 A 110 110 LYS N N 119 120.090 121.148 -1.058 1
1 1213 . 2 1 1 A 111 111 LEU H H 120 9.016 8.212 0.804 1
1 1214 . 2 1 1 A 111 111 LEU HA H 120 4.054 3.894 0.160 1
1 1223 . 2 1 1 A 111 111 LEU CA C 120 57.694 57.465 0.229 1
1 1224 . 2 1 1 A 111 111 LEU CB C 120 43.062 41.881 1.181 1
1 1227 . 2 1 1 A 111 111 LEU N N 120 123.089 121.343 1.746 1
1 1228 . 2 1 1 A 112 112 GLY H H 121 7.578 7.387 0.191 1
1 1229 . 2 1 1 A 112 112 GLY HA2 H 121 4.320 4.009 0.311 1
1 1230 . 2 1 1 A 112 112 GLY HA3 H 121 3.863 4.020 -0.157 1
1 1231 . 2 1 1 A 112 112 GLY CA C 121 44.644 45.051 -0.407 1
1 1232 . 2 1 1 A 112 112 GLY N N 121 105.939 104.066 1.873 1
1 1233 . 2 1 1 A 113 113 PRO HA H 122 4.365 4.419 -0.054 1
1 1240 . 2 1 1 A 113 113 PRO CA C 122 64.692 64.303 0.389 1
1 1241 . 2 1 1 A 113 113 PRO CB C 122 32.663 32.105 0.558 1
1 1244 . 2 1 1 A 114 114 ASN H H 123 8.603 8.334 0.269 1
1 1245 . 2 1 1 A 114 114 ASN HA H 123 4.899 4.840 0.059 1
1 1250 . 2 1 1 A 114 114 ASN CA C 123 52.944 52.986 -0.042 1
1 1251 . 2 1 1 A 114 114 ASN CB C 123 39.041 39.482 -0.441 1
1 1252 . 2 1 1 A 114 114 ASN N N 123 115.591 115.579 0.012 1
1 1254 . 2 1 1 A 115 115 ASP H H 124 7.507 7.902 -0.395 1
1 1255 . 2 1 1 A 115 115 ASP HA H 124 4.507 4.827 -0.320 1
1 1258 . 2 1 1 A 115 115 ASP CA C 124 54.843 52.672 2.171 1
1 1259 . 2 1 1 A 115 115 ASP CB C 124 41.620 41.150 0.470 1
1 1260 . 2 1 1 A 115 115 ASP N N 124 121.215 120.852 0.363 1
1 1261 . 2 1 1 A 116 116 ASN H H 125 8.741 8.392 0.349 1
1 1262 . 2 1 1 A 116 116 ASN HA H 125 4.823 4.392 0.431 1
1 1267 . 2 1 1 A 116 116 ASN CA C 125 53.447 53.663 -0.216 1
1 1268 . 2 1 1 A 116 116 ASN CB C 125 43.830 37.106 6.724 1
1 1269 . 2 1 1 A 116 116 ASN N N 125 120.137 122.100 -1.963 1
1 1271 . 2 1 1 A 117 117 ASP H H 126 8.039 8.348 -0.309 1
1 1272 . 2 1 1 A 117 117 ASP HA H 126 4.745 4.882 -0.137 1
1 1274 . 2 1 1 A 117 117 ASP CA C 126 54.436 52.552 1.884 1
1 1275 . 2 1 1 A 117 117 ASP CB C 126 42.046 40.148 1.898 1
1 1276 . 2 1 1 A 117 117 ASP N N 126 120.746 124.082 -3.336 1
1 1277 . 2 1 1 A 118 118 THR H H 127 8.361 8.262 0.099 1
1 1278 . 2 1 1 A 118 118 THR HA H 127 4.331 4.698 -0.367 1
1 1283 . 2 1 1 A 118 118 THR CA C 127 62.454 60.243 2.211 1
1 1284 . 2 1 1 A 118 118 THR CB C 127 70.191 68.713 1.478 1
1 1286 . 2 1 1 A 118 118 THR N N 127 116.903 115.583 1.320 1
1 1287 . 2 1 1 A 119 119 VAL H H 128 8.152 7.838 0.314 1
1 1288 . 2 1 1 A 119 119 VAL HA H 128 4.172 5.020 -0.848 1
1 1296 . 2 1 1 A 119 119 VAL CA C 128 61.051 59.505 1.546 1
1 1297 . 2 1 1 A 119 119 VAL CB C 128 35.124 35.588 -0.464 1
1 1300 . 2 1 1 A 119 119 VAL N N 128 119.903 118.882 1.021 1
1 1301 . 2 1 1 A 120 120 ARG H H 129 7.884 8.677 -0.793 1
1 1302 . 2 1 1 A 120 120 ARG HA H 129 4.719 4.550 0.169 1
1 1307 . 2 1 1 A 120 120 ARG CA C 129 55.555 55.625 -0.070 1
1 1308 . 2 1 1 A 120 120 ARG CB C 129 34.945 32.364 2.581 1
1 1311 . 2 1 1 A 120 120 ARG N N 129 122.621 121.883 0.738 1
1 1312 . 2 1 1 A 121 121 GLY H H 130 8.289 7.599 0.690 1
1 1313 . 2 1 1 A 121 121 GLY HA2 H 130 4.605 4.000 0.605 1
1 1314 . 2 1 1 A 121 121 GLY HA3 H 130 3.803 4.011 -0.208 1
1 1315 . 2 1 1 A 121 121 GLY CA C 130 45.756 44.557 1.199 1
1 1316 . 2 1 1 A 121 121 GLY N N 130 107.626 109.257 -1.631 1
1 1317 . 2 1 1 A 122 122 GLN H H 131 8.408 8.680 -0.272 1
1 1318 . 2 1 1 A 122 122 GLN HA H 131 5.434 5.236 0.198 1
1 1323 . 2 1 1 A 122 122 GLN CA C 131 54.809 54.130 0.679 1
1 1324 . 2 1 1 A 122 122 GLN CB C 131 34.756 33.345 1.411 1
1 1326 . 2 1 1 A 122 122 GLN N N 131 114.654 118.630 -3.976 1
1 1328 . 2 1 1 A 123 123 ILE H H 132 9.273 8.394 0.879 1
1 1329 . 2 1 1 A 123 123 ILE HA H 132 5.207 4.729 0.478 1
1 1339 . 2 1 1 A 123 123 ILE CA C 132 59.284 59.897 -0.613 1
1 1340 . 2 1 1 A 123 123 ILE CB C 132 44.085 41.800 2.285 1
1 1344 . 2 1 1 A 123 123 ILE N N 132 118.216 121.435 -3.219 1
1 1345 . 2 1 1 A 124 124 VAL H H 133 8.750 9.204 -0.454 1
1 1346 . 2 1 1 A 124 124 VAL HA H 133 5.338 4.757 0.581 1
1 1354 . 2 1 1 A 124 124 VAL CA C 133 61.611 61.537 0.074 1
1 1355 . 2 1 1 A 124 124 VAL CB C 133 32.620 32.492 0.128 1
1 1358 . 2 1 1 A 124 124 VAL N N 133 126.088 128.781 -2.693 1
1 1359 . 2 1 1 A 125 125 VAL H H 134 8.698 8.742 -0.044 1
1 1360 . 2 1 1 A 125 125 VAL HA H 134 5.859 5.500 0.359 1
1 1368 . 2 1 1 A 125 125 VAL CA C 134 57.880 59.475 -1.595 1
1 1369 . 2 1 1 A 125 125 VAL CB C 134 36.990 35.601 1.389 1
1 1372 . 2 1 1 A 125 125 VAL N N 134 117.895 121.612 -3.717 1
1 1373 . 2 1 1 A 126 126 SER H H 135 8.746 8.620 0.126 1
1 1374 . 2 1 1 A 126 126 SER HA H 135 4.881 5.151 -0.270 1
1 1377 . 2 1 1 A 126 126 SER CA C 135 56.860 56.657 0.203 1
1 1378 . 2 1 1 A 126 126 SER CB C 135 66.695 65.114 1.581 1
1 1379 . 2 1 1 A 126 126 SER N N 135 112.967 113.855 -0.888 1
1 1380 . 2 1 1 A 127 127 LEU H H 136 9.710 8.751 0.959 1
1 1381 . 2 1 1 A 127 127 LEU HA H 136 5.244 4.937 0.307 1
1 1390 . 2 1 1 A 127 127 LEU CA C 136 54.436 53.463 0.973 1
1 1391 . 2 1 1 A 127 127 LEU CB C 136 46.137 43.144 2.993 1
1 1395 . 2 1 1 A 127 127 LEU N N 136 125.760 124.834 0.926 1
1 1396 . 2 1 1 A 128 128 GLN H H 137 9.256 8.261 0.995 1
1 1397 . 2 1 1 A 128 128 GLN HA H 137 5.128 5.803 -0.675 1
1 1404 . 2 1 1 A 128 128 GLN CA C 137 54.063 54.023 0.040 1
1 1405 . 2 1 1 A 128 128 GLN CB C 137 34.063 32.570 1.493 1
1 1407 . 2 1 1 A 128 128 GLN N N 137 125.526 122.478 3.048 1
1 1409 . 2 1 1 A 129 129 SER H H 138 8.222 8.715 -0.493 1
1 1410 . 2 1 1 A 129 129 SER HA H 138 4.476 4.826 -0.350 1
1 1413 . 2 1 1 A 129 129 SER CA C 138 60.814 58.110 2.704 1
1 1414 . 2 1 1 A 129 129 SER CB C 138 63.116 64.077 -0.961 1
1 1415 . 2 1 1 A 129 129 SER N N 138 125.620 118.930 6.690 1
1 1416 . 2 1 1 A 130 130 ARG H H 139 8.032 8.697 -0.665 1
1 1417 . 2 1 1 A 130 130 ARG HA H 139 4.601 4.844 -0.243 1
1 1424 . 2 1 1 A 130 130 ARG CA C 139 53.934 54.061 -0.127 1
1 1425 . 2 1 1 A 130 130 ARG CB C 139 32.334 33.228 -0.894 1
1 1428 . 2 1 1 A 130 130 ARG N N 139 123.136 122.176 0.960 1
1 6 . 3 1 1 A 2 2 PRO HA H 11 4.498 4.678 -0.180 1
1 11 . 3 1 1 A 2 2 PRO CA C 11 63.103 62.841 0.262 1
1 12 . 3 1 1 A 2 2 PRO CB C 11 32.993 32.967 0.026 1
1 15 . 3 1 1 A 3 3 VAL H H 12 8.356 8.324 0.032 1
1 16 . 3 1 1 A 3 3 VAL HA H 12 4.370 4.932 -0.562 1
1 24 . 3 1 1 A 3 3 VAL CA C 12 60.982 59.214 1.768 1
1 25 . 3 1 1 A 3 3 VAL CB C 12 34.005 34.819 -0.814 1
1 28 . 3 1 1 A 3 3 VAL N N 12 119.528 115.230 4.298 1
1 29 . 3 1 1 A 4 4 LYS H H 13 8.542 8.888 -0.346 1
1 30 . 3 1 1 A 4 4 LYS HA H 13 4.752 4.815 -0.063 1
1 38 . 3 1 1 A 4 4 LYS CA C 13 55.339 56.236 -0.897 1
1 39 . 3 1 1 A 4 4 LYS CB C 13 33.640 33.110 0.530 1
1 43 . 3 1 1 A 4 4 LYS N N 13 125.901 124.671 1.230 1
1 44 . 3 1 1 A 5 5 LEU H H 14 8.887 8.551 0.336 1
1 45 . 3 1 1 A 5 5 LEU HA H 14 4.927 5.144 -0.217 1
1 51 . 3 1 1 A 5 5 LEU CA C 14 52.944 53.772 -0.828 1
1 52 . 3 1 1 A 5 5 LEU CB C 14 47.069 46.139 0.930 1
1 54 . 3 1 1 A 5 5 LEU N N 14 126.276 128.438 -2.162 1
1 55 . 3 1 1 A 6 6 ARG H H 15 9.361 8.766 0.595 1
1 56 . 3 1 1 A 6 6 ARG HA H 15 5.205 5.106 0.099 1
1 61 . 3 1 1 A 6 6 ARG CA C 15 55.064 54.822 0.242 1
1 62 . 3 1 1 A 6 6 ARG CB C 15 31.979 32.137 -0.158 1
1 64 . 3 1 1 A 6 6 ARG N N 15 123.745 126.553 -2.808 1
1 65 . 3 1 1 A 7 7 LEU H H 16 9.694 8.944 0.750 1
1 66 . 3 1 1 A 7 7 LEU HA H 16 5.437 5.055 0.382 1
1 73 . 3 1 1 A 7 7 LEU CA C 16 53.777 53.549 0.228 1
1 74 . 3 1 1 A 7 7 LEU CB C 16 45.577 44.463 1.114 1
1 77 . 3 1 1 A 7 7 LEU N N 16 111.467 127.059 -15.592 1
1 78 . 3 1 1 A 8 8 THR H H 17 9.470 9.282 0.188 1
1 79 . 3 1 1 A 8 8 THR HA H 17 4.904 4.961 -0.057 1
1 84 . 3 1 1 A 8 8 THR CA C 17 62.827 62.287 0.540 1
1 85 . 3 1 1 A 8 8 THR CB C 17 69.540 69.117 0.423 1
1 87 . 3 1 1 A 8 8 THR N N 17 124.589 123.831 0.758 1
1 88 . 3 1 1 A 9 9 VAL H H 18 9.339 9.369 -0.030 1
1 89 . 3 1 1 A 9 9 VAL HA H 18 4.374 4.208 0.166 1
1 97 . 3 1 1 A 9 9 VAL CA C 18 61.708 63.180 -1.472 1
1 98 . 3 1 1 A 9 9 VAL CB C 18 31.021 30.724 0.297 1
1 101 . 3 1 1 A 9 9 VAL N N 18 127.963 128.113 -0.150 1
1 102 . 3 1 1 A 10 10 LEU H H 19 8.957 8.599 0.358 1
1 103 . 3 1 1 A 10 10 LEU HA H 19 4.334 4.285 0.049 1
1 113 . 3 1 1 A 10 10 LEU CA C 19 59.232 57.478 1.754 1
1 114 . 3 1 1 A 10 10 LEU CB C 19 43.525 42.871 0.654 1
1 118 . 3 1 1 A 10 10 LEU N N 19 127.775 129.947 -2.172 1
1 119 . 3 1 1 A 11 11 CYS H H 20 8.038 7.656 0.382 1
1 120 . 3 1 1 A 11 11 CYS HA H 20 5.152 4.678 0.474 1
1 123 . 3 1 1 A 11 11 CYS CA C 20 55.928 57.314 -1.386 1
1 124 . 3 1 1 A 11 11 CYS CB C 20 30.655 30.167 0.488 1
1 125 . 3 1 1 A 11 11 CYS N N 20 109.968 113.561 -3.593 1
1 126 . 3 1 1 A 12 12 ALA H H 21 8.485 8.566 -0.081 1
1 127 . 3 1 1 A 12 12 ALA HA H 21 5.397 5.373 0.024 1
1 131 . 3 1 1 A 12 12 ALA CA C 21 50.707 50.383 0.324 1
1 132 . 3 1 1 A 12 12 ALA CB C 21 22.550 23.095 -0.545 1
1 133 . 3 1 1 A 12 12 ALA N N 21 119.247 123.736 -4.489 1
1 134 . 3 1 1 A 13 13 LYS H H 22 8.905 8.848 0.057 1
1 135 . 3 1 1 A 13 13 LYS HA H 22 5.144 4.691 0.453 1
1 141 . 3 1 1 A 13 13 LYS CA C 22 54.063 54.672 -0.609 1
1 142 . 3 1 1 A 13 13 LYS CB C 22 37.217 35.622 1.595 1
1 146 . 3 1 1 A 13 13 LYS N N 22 117.934 120.181 -2.247 1
1 147 . 3 1 1 A 14 14 ASN H H 23 9.099 9.018 0.081 1
1 148 . 3 1 1 A 14 14 ASN HA H 23 4.187 4.285 -0.098 1
1 153 . 3 1 1 A 14 14 ASN CA C 23 53.735 53.760 -0.025 1
1 154 . 3 1 1 A 14 14 ASN CB C 23 37.736 36.943 0.793 1
1 155 . 3 1 1 A 14 14 ASN N N 23 118.684 119.584 -0.900 1
1 157 . 3 1 1 A 15 15 LEU H H 24 8.294 7.907 0.387 1
1 158 . 3 1 1 A 15 15 LEU HA H 24 5.161 4.219 0.942 1
1 165 . 3 1 1 A 15 15 LEU CA C 24 55.261 54.853 0.408 1
1 166 . 3 1 1 A 15 15 LEU CB C 24 42.966 41.550 1.416 1
1 169 . 3 1 1 A 15 15 LEU N N 24 114.373 120.202 -5.829 1
1 170 . 3 1 1 A 16 16 VAL H H 25 8.533 8.507 0.026 1
1 171 . 3 1 1 A 16 16 VAL HA H 25 3.635 3.944 -0.309 1
1 179 . 3 1 1 A 16 16 VAL CA C 25 62.318 63.242 -0.924 1
1 180 . 3 1 1 A 16 16 VAL CB C 25 33.064 32.404 0.660 1
1 183 . 3 1 1 A 16 16 VAL N N 25 119.200 125.396 -6.196 1
1 184 . 3 1 1 A 17 17 LYS H H 26 7.950 8.344 -0.394 1
1 185 . 3 1 1 A 17 17 LYS HA H 26 4.302 4.029 0.273 1
1 192 . 3 1 1 A 17 17 LYS CA C 26 54.150 58.462 -4.312 1
1 193 . 3 1 1 A 17 17 LYS CB C 26 33.826 31.967 1.859 1
1 197 . 3 1 1 A 17 17 LYS N N 26 128.056 126.175 1.881 1
1 198 . 3 1 1 A 18 18 LYS H H 27 8.549 7.809 0.740 1
1 199 . 3 1 1 A 18 18 LYS HA H 27 4.078 3.812 0.266 1
1 207 . 3 1 1 A 18 18 LYS CA C 27 58.626 58.661 -0.035 1
1 208 . 3 1 1 A 18 18 LYS CB C 27 33.826 31.020 2.806 1
1 211 . 3 1 1 A 18 18 LYS N N 27 125.760 114.335 11.425 1
1 212 . 3 1 1 A 19 19 ASP H H 28 8.438 8.343 0.095 1
1 213 . 3 1 1 A 19 19 ASP HA H 28 4.801 4.766 0.035 1
1 216 . 3 1 1 A 19 19 ASP CA C 28 52.964 53.175 -0.211 1
1 217 . 3 1 1 A 19 19 ASP CB C 28 43.518 42.197 1.321 1
1 218 . 3 1 1 A 19 19 ASP N N 28 119.247 118.093 1.154 1
1 219 . 3 1 1 A 20 20 PHE H H 29 8.506 8.605 -0.099 1
1 220 . 3 1 1 A 20 20 PHE HA H 29 4.049 4.006 0.043 1
1 227 . 3 1 1 A 20 20 PHE CA C 29 60.767 60.700 0.067 1
1 228 . 3 1 1 A 20 20 PHE CB C 29 39.305 39.026 0.279 1
1 231 . 3 1 1 A 20 20 PHE N N 29 122.011 122.859 -0.848 1
1 232 . 3 1 1 A 21 21 PHE H H 30 8.350 8.622 -0.272 1
1 233 . 3 1 1 A 21 21 PHE HA H 30 4.677 4.707 -0.030 1
1 240 . 3 1 1 A 21 21 PHE CA C 30 57.789 59.368 -1.579 1
1 241 . 3 1 1 A 21 21 PHE CB C 30 40.824 38.176 2.648 1
1 244 . 3 1 1 A 21 21 PHE N N 30 113.764 116.100 -2.336 1
1 245 . 3 1 1 A 22 22 ARG H H 31 7.631 7.510 0.121 1
1 246 . 3 1 1 A 22 22 ARG HA H 31 4.614 5.000 -0.386 1
1 252 . 3 1 1 A 22 22 ARG CA C 31 55.325 54.550 0.775 1
1 253 . 3 1 1 A 22 22 ARG CB C 31 33.640 34.525 -0.885 1
1 256 . 3 1 1 A 22 22 ARG N N 31 118.778 118.224 0.554 1
1 257 . 3 1 1 A 23 23 LEU H H 32 8.699 8.977 -0.278 1
1 258 . 3 1 1 A 23 23 LEU HA H 32 4.509 4.895 -0.386 1
1 268 . 3 1 1 A 23 23 LEU CA C 32 52.758 51.039 1.719 1
1 269 . 3 1 1 A 23 23 LEU CB C 32 42.593 45.305 -2.712 1
1 273 . 3 1 1 A 23 23 LEU N N 32 123.464 122.129 1.335 1
1 274 . 3 1 1 A 24 24 PRO HA H 33 4.648 5.153 -0.505 1
1 281 . 3 1 1 A 24 24 PRO CA C 33 62.753 62.244 0.509 1
1 282 . 3 1 1 A 24 24 PRO CB C 33 33.965 32.563 1.402 1
1 285 . 3 1 1 A 25 25 ASP H H 34 7.463 8.669 -1.206 1
1 286 . 3 1 1 A 25 25 ASP HA H 34 6.052 5.280 0.772 1
1 289 . 3 1 1 A 25 25 ASP CA C 34 51.080 51.803 -0.723 1
1 290 . 3 1 1 A 25 25 ASP CB C 34 42.779 41.704 1.075 1
1 291 . 3 1 1 A 25 25 ASP N N 34 117.091 121.814 -4.723 1
1 292 . 3 1 1 A 26 26 PRO HA H 35 5.968 5.176 0.792 1
1 299 . 3 1 1 A 26 26 PRO CA C 35 62.827 62.993 -0.166 1
1 300 . 3 1 1 A 26 26 PRO CB C 35 35.132 33.185 1.947 1
1 303 . 3 1 1 A 27 27 PHE H H 36 9.284 8.803 0.481 1
1 304 . 3 1 1 A 27 27 PHE HA H 36 5.009 5.479 -0.470 1
1 312 . 3 1 1 A 27 27 PHE CA C 36 56.301 56.132 0.169 1
1 313 . 3 1 1 A 27 27 PHE CB C 36 42.689 41.221 1.468 1
1 317 . 3 1 1 A 27 27 PHE N N 36 120.090 118.561 1.529 1
1 318 . 3 1 1 A 28 28 ALA H H 37 8.408 8.644 -0.236 1
1 319 . 3 1 1 A 28 28 ALA HA H 37 5.481 5.074 0.407 1
1 323 . 3 1 1 A 28 28 ALA CA C 37 49.186 49.842 -0.656 1
1 324 . 3 1 1 A 28 28 ALA CB C 37 20.389 22.861 -2.472 1
1 325 . 3 1 1 A 28 28 ALA N N 37 122.433 121.332 1.101 1
1 326 . 3 1 1 A 29 29 LYS H H 38 9.617 8.728 0.889 1
1 327 . 3 1 1 A 29 29 LYS HA H 38 5.267 5.449 -0.182 1
1 335 . 3 1 1 A 29 29 LYS CA C 38 54.901 54.776 0.125 1
1 336 . 3 1 1 A 29 29 LYS CB C 38 36.624 36.749 -0.125 1
1 340 . 3 1 1 A 29 29 LYS N N 38 121.964 118.315 3.649 1
1 341 . 3 1 1 A 30 30 VAL H H 39 9.159 8.674 0.485 1
1 342 . 3 1 1 A 30 30 VAL HA H 39 4.494 4.913 -0.419 1
1 350 . 3 1 1 A 30 30 VAL CA C 39 61.335 60.714 0.621 1
1 351 . 3 1 1 A 30 30 VAL CB C 39 34.954 34.489 0.465 1
1 354 . 3 1 1 A 30 30 VAL N N 39 124.497 121.581 2.916 1
1 355 . 3 1 1 A 31 31 VAL H H 40 8.659 8.641 0.018 1
1 356 . 3 1 1 A 31 31 VAL HA H 40 5.091 4.838 0.253 1
1 364 . 3 1 1 A 31 31 VAL CA C 40 59.898 59.667 0.231 1
1 365 . 3 1 1 A 31 31 VAL CB C 40 36.959 35.675 1.284 1
1 368 . 3 1 1 A 31 31 VAL N N 40 124.589 120.962 3.627 1
1 369 . 3 1 1 A 32 32 VAL H H 41 7.786 8.343 -0.557 1
1 370 . 3 1 1 A 32 32 VAL HA H 41 4.660 4.553 0.107 1
1 378 . 3 1 1 A 32 32 VAL CA C 41 62.268 61.188 1.080 1
1 379 . 3 1 1 A 32 32 VAL CB C 41 30.995 32.454 -1.459 1
1 382 . 3 1 1 A 32 32 VAL N N 41 125.385 125.935 -0.550 1
1 383 . 3 1 1 A 33 33 ASP H H 42 8.568 8.423 0.145 1
1 384 . 3 1 1 A 33 33 ASP HA H 42 4.310 4.505 -0.195 1
1 386 . 3 1 1 A 33 33 ASP CA C 42 57.321 54.456 2.865 1
1 387 . 3 1 1 A 33 33 ASP CB C 42 40.727 39.987 0.740 1
1 388 . 3 1 1 A 33 33 ASP N N 42 130.868 128.419 2.449 1
1 389 . 3 1 1 A 34 34 GLY HA2 H 43 4.230 4.078 0.152 1
1 390 . 3 1 1 A 34 34 GLY HA3 H 43 3.818 4.084 -0.266 1
1 391 . 3 1 1 A 34 34 GLY CA C 43 46.510 45.140 1.370 1
1 392 . 3 1 1 A 35 35 SER H H 44 8.049 7.967 0.082 1
1 393 . 3 1 1 A 35 35 SER HA H 44 4.928 4.856 0.072 1
1 396 . 3 1 1 A 35 35 SER CA C 44 58.067 56.889 1.178 1
1 397 . 3 1 1 A 35 35 SER CB C 44 67.393 65.346 2.047 1
1 398 . 3 1 1 A 35 35 SER N N 44 115.029 115.149 -0.120 1
1 399 . 3 1 1 A 36 36 GLY H H 45 8.637 8.580 0.057 1
1 400 . 3 1 1 A 36 36 GLY HA2 H 45 4.338 3.906 0.432 1
1 401 . 3 1 1 A 36 36 GLY HA3 H 45 3.884 3.907 -0.023 1
1 402 . 3 1 1 A 36 36 GLY CA C 45 46.137 45.510 0.627 1
1 403 . 3 1 1 A 36 36 GLY N N 45 109.265 112.010 -2.745 1
1 404 . 3 1 1 A 37 37 GLN H H 46 8.329 7.618 0.711 1
1 405 . 3 1 1 A 37 37 GLN HA H 46 4.339 4.517 -0.178 1
1 412 . 3 1 1 A 37 37 GLN CA C 46 56.002 55.642 0.360 1
1 413 . 3 1 1 A 37 37 GLN CB C 46 30.241 29.876 0.365 1
1 415 . 3 1 1 A 37 37 GLN N N 46 120.699 119.572 1.127 1
1 417 . 3 1 1 A 38 38 CYS H H 47 7.787 8.850 -1.063 1
1 418 . 3 1 1 A 38 38 CYS HA H 47 5.257 5.847 -0.590 1
1 420 . 3 1 1 A 38 38 CYS CA C 47 56.761 57.010 -0.249 1
1 421 . 3 1 1 A 38 38 CYS CB C 47 29.250 31.172 -1.922 1
1 422 . 3 1 1 A 38 38 CYS N N 47 124.214 124.001 0.213 1
1 423 . 3 1 1 A 39 39 HIS H H 48 8.906 8.532 0.374 1
1 424 . 3 1 1 A 39 39 HIS HA H 48 4.730 5.019 -0.289 1
1 428 . 3 1 1 A 39 39 HIS CA C 48 54.888 54.231 0.657 1
1 429 . 3 1 1 A 39 39 HIS CB C 48 34.688 34.556 0.132 1
1 431 . 3 1 1 A 39 39 HIS N N 48 125.807 121.666 4.141 1
1 432 . 3 1 1 A 40 40 SER H H 49 8.728 8.731 -0.003 1
1 433 . 3 1 1 A 40 40 SER HA H 49 5.732 5.362 0.370 1
1 436 . 3 1 1 A 40 40 SER CA C 49 57.041 57.267 -0.226 1
1 437 . 3 1 1 A 40 40 SER CB C 49 66.274 66.333 -0.059 1
1 438 . 3 1 1 A 40 40 SER N N 49 116.034 114.329 1.705 1
1 439 . 3 1 1 A 41 41 THR H H 50 9.212 8.821 0.391 1
1 440 . 3 1 1 A 41 41 THR HA H 50 4.477 5.009 -0.532 1
1 445 . 3 1 1 A 41 41 THR CA C 50 61.457 59.734 1.723 1
1 446 . 3 1 1 A 41 41 THR CB C 50 72.337 70.672 1.665 1
1 448 . 3 1 1 A 41 41 THR N N 50 115.404 112.955 2.449 1
1 449 . 3 1 1 A 42 42 ASP H H 51 9.424 8.669 0.755 1
1 450 . 3 1 1 A 42 42 ASP HA H 51 4.676 4.526 0.150 1
1 453 . 3 1 1 A 42 42 ASP CA C 51 54.996 55.195 -0.199 1
1 454 . 3 1 1 A 42 42 ASP CB C 51 41.543 41.633 -0.090 1
1 455 . 3 1 1 A 42 42 ASP N N 51 119.340 122.992 -3.652 1
1 456 . 3 1 1 A 43 43 THR H H 52 8.650 8.588 0.062 1
1 457 . 3 1 1 A 43 43 THR HA H 52 4.858 5.235 -0.377 1
1 462 . 3 1 1 A 43 43 THR CA C 52 62.637 62.430 0.207 1
1 463 . 3 1 1 A 43 43 THR CB C 52 70.191 70.085 0.106 1
1 465 . 3 1 1 A 43 43 THR N N 52 117.836 117.639 0.197 1
1 466 . 3 1 1 A 44 44 VAL H H 53 8.266 9.073 -0.807 1
1 467 . 3 1 1 A 44 44 VAL HA H 53 4.363 4.760 -0.397 1
1 475 . 3 1 1 A 44 44 VAL CA C 53 61.086 60.605 0.481 1
1 476 . 3 1 1 A 44 44 VAL CB C 53 33.361 33.235 0.126 1
1 479 . 3 1 1 A 44 44 VAL N N 53 127.775 123.426 4.349 1
1 480 . 3 1 1 A 45 45 LYS H H 54 8.163 8.549 -0.386 1
1 481 . 3 1 1 A 45 45 LYS HA H 54 4.229 5.050 -0.821 1
1 487 . 3 1 1 A 45 45 LYS CA C 54 56.627 54.788 1.839 1
1 488 . 3 1 1 A 45 45 LYS CB C 54 33.739 34.303 -0.564 1
1 492 . 3 1 1 A 45 45 LYS N N 54 120.934 121.768 -0.834 1
1 493 . 3 1 1 A 46 46 ASN H H 55 9.642 8.540 1.102 1
1 494 . 3 1 1 A 46 46 ASN HA H 55 4.150 4.469 -0.319 1
1 499 . 3 1 1 A 46 46 ASN CA C 55 54.029 53.839 0.190 1
1 500 . 3 1 1 A 46 46 ASN CB C 55 38.668 36.217 2.451 1
1 501 . 3 1 1 A 46 46 ASN N N 55 121.215 121.841 -0.626 1
1 503 . 3 1 1 A 47 47 THR H H 56 8.246 8.027 0.219 1
1 504 . 3 1 1 A 47 47 THR HA H 56 4.661 4.815 -0.154 1
1 509 . 3 1 1 A 47 47 THR CA C 56 60.963 60.377 0.586 1
1 510 . 3 1 1 A 47 47 THR CB C 56 68.512 69.825 -1.313 1
1 512 . 3 1 1 A 47 47 THR N N 56 111.936 116.960 -5.024 1
1 513 . 3 1 1 A 48 48 LEU H H 57 8.245 8.484 -0.239 1
1 514 . 3 1 1 A 48 48 LEU HA H 57 4.410 4.583 -0.173 1
1 524 . 3 1 1 A 48 48 LEU CA C 57 53.641 53.680 -0.039 1
1 525 . 3 1 1 A 48 48 LEU CB C 57 41.570 41.696 -0.126 1
1 529 . 3 1 1 A 48 48 LEU N N 57 122.433 124.113 -1.680 1
1 530 . 3 1 1 A 49 49 ASP H H 58 8.544 7.906 0.638 1
1 531 . 3 1 1 A 49 49 ASP HA H 58 5.419 5.131 0.288 1
1 534 . 3 1 1 A 49 49 ASP CA C 58 51.826 51.773 0.053 1
1 535 . 3 1 1 A 49 49 ASP CB C 58 44.085 40.586 3.499 1
1 536 . 3 1 1 A 49 49 ASP N N 58 116.903 117.375 -0.472 1
1 537 . 3 1 1 A 50 50 PRO HA H 59 3.790 4.459 -0.669 1
1 543 . 3 1 1 A 50 50 PRO CA C 59 63.219 62.048 1.171 1
1 544 . 3 1 1 A 50 50 PRO CB C 59 32.661 32.798 -0.137 1
1 547 . 3 1 1 A 51 51 LYS H H 60 7.806 7.912 -0.106 1
1 548 . 3 1 1 A 51 51 LYS HA H 60 4.224 4.667 -0.443 1
1 555 . 3 1 1 A 51 51 LYS CA C 60 55.521 55.153 0.368 1
1 556 . 3 1 1 A 51 51 LYS CB C 60 33.826 35.590 -1.764 1
1 560 . 3 1 1 A 51 51 LYS N N 60 119.996 116.501 3.495 1
1 561 . 3 1 1 A 52 52 TRP H H 61 7.791 8.375 -0.584 1
1 562 . 3 1 1 A 52 52 TRP HA H 61 4.824 4.873 -0.049 1
1 570 . 3 1 1 A 52 52 TRP CA C 61 60.590 57.804 2.786 1
1 571 . 3 1 1 A 52 52 TRP CB C 61 29.715 31.301 -1.586 1
1 576 . 3 1 1 A 52 52 TRP N N 61 122.386 120.389 1.997 1
1 578 . 3 1 1 A 53 53 ASN H H 62 9.040 8.229 0.811 1
1 579 . 3 1 1 A 53 53 ASN HA H 62 4.419 4.400 0.019 1
1 584 . 3 1 1 A 53 53 ASN CA C 62 53.789 54.254 -0.465 1
1 585 . 3 1 1 A 53 53 ASN CB C 62 37.922 37.686 0.236 1
1 586 . 3 1 1 A 53 53 ASN N N 62 117.185 118.750 -1.565 1
1 588 . 3 1 1 A 54 54 GLN H H 63 7.512 7.458 0.054 1
1 589 . 3 1 1 A 54 54 GLN HA H 63 4.584 4.559 0.025 1
1 596 . 3 1 1 A 54 54 GLN CA C 63 55.008 54.562 0.446 1
1 597 . 3 1 1 A 54 54 GLN CB C 63 34.938 31.081 3.857 1
1 599 . 3 1 1 A 54 54 GLN N N 63 116.341 118.040 -1.699 1
1 601 . 3 1 1 A 55 55 HIS H H 64 7.782 8.006 -0.224 1
1 602 . 3 1 1 A 55 55 HIS HA H 64 5.796 6.057 -0.261 1
1 606 . 3 1 1 A 55 55 HIS CA C 64 53.059 53.300 -0.241 1
1 607 . 3 1 1 A 55 55 HIS CB C 64 34.378 32.966 1.412 1
1 609 . 3 1 1 A 55 55 HIS N N 64 118.403 118.453 -0.050 1
1 610 . 3 1 1 A 56 56 TYR H H 65 8.657 8.805 -0.148 1
1 611 . 3 1 1 A 56 56 TYR HA H 65 4.404 4.845 -0.441 1
1 618 . 3 1 1 A 56 56 TYR CA C 65 57.430 56.396 1.034 1
1 619 . 3 1 1 A 56 56 TYR CB C 65 42.958 41.705 1.253 1
1 622 . 3 1 1 A 56 56 TYR N N 65 116.435 120.005 -3.570 1
1 623 . 3 1 1 A 57 57 ASP H H 66 8.772 8.985 -0.213 1
1 624 . 3 1 1 A 57 57 ASP HA H 66 5.283 5.495 -0.212 1
1 627 . 3 1 1 A 57 57 ASP CA C 66 54.250 52.607 1.643 1
1 628 . 3 1 1 A 57 57 ASP CB C 66 40.914 42.195 -1.281 1
1 629 . 3 1 1 A 57 57 ASP N N 66 124.776 122.829 1.947 1
1 630 . 3 1 1 A 58 58 LEU H H 67 9.175 8.775 0.400 1
1 631 . 3 1 1 A 58 58 LEU HA H 67 4.589 4.741 -0.152 1
1 641 . 3 1 1 A 58 58 LEU CA C 67 53.131 53.614 -0.483 1
1 642 . 3 1 1 A 58 58 LEU CB C 67 45.060 45.257 -0.197 1
1 645 . 3 1 1 A 58 58 LEU N N 67 124.558 125.103 -0.545 1
1 646 . 3 1 1 A 59 59 TYR H H 68 8.877 8.525 0.352 1
1 647 . 3 1 1 A 59 59 TYR HA H 68 5.096 5.111 -0.015 1
1 654 . 3 1 1 A 59 59 TYR CA C 68 57.606 58.485 -0.879 1
1 655 . 3 1 1 A 59 59 TYR CB C 68 39.422 39.801 -0.379 1
1 658 . 3 1 1 A 59 59 TYR N N 68 121.215 122.767 -1.552 1
1 659 . 3 1 1 A 60 60 ILE H H 69 9.162 8.715 0.447 1
1 660 . 3 1 1 A 60 60 ILE HA H 69 4.551 4.788 -0.237 1
1 670 . 3 1 1 A 60 60 ILE CA C 69 59.471 59.908 -0.437 1
1 671 . 3 1 1 A 60 60 ILE CB C 69 40.500 40.699 -0.199 1
1 675 . 3 1 1 A 60 60 ILE N N 69 124.823 122.500 2.323 1
1 676 . 3 1 1 A 61 61 GLY H H 70 9.960 8.690 1.270 1
1 677 . 3 1 1 A 61 61 GLY HA2 H 70 4.517 4.363 0.154 1
1 678 . 3 1 1 A 61 61 GLY HA3 H 70 3.881 4.364 -0.483 1
1 679 . 3 1 1 A 61 61 GLY CA C 70 44.083 44.013 0.070 1
1 680 . 3 1 1 A 61 61 GLY N N 70 117.841 114.824 3.017 1
1 681 . 3 1 1 A 62 62 LYS H H 71 8.605 8.937 -0.332 1
1 682 . 3 1 1 A 62 62 LYS HA H 71 4.090 4.140 -0.050 1
1 687 . 3 1 1 A 62 62 LYS CA C 71 59.447 58.829 0.618 1
1 688 . 3 1 1 A 62 62 LYS CB C 71 33.453 32.020 1.433 1
1 692 . 3 1 1 A 62 62 LYS N N 71 119.434 123.505 -4.071 1
1 693 . 3 1 1 A 63 63 SER H H 72 8.544 8.311 0.233 1
1 694 . 3 1 1 A 63 63 SER HA H 72 4.811 4.715 0.096 1
1 696 . 3 1 1 A 63 63 SER CA C 72 57.606 57.030 0.576 1
1 697 . 3 1 1 A 63 63 SER CB C 72 64.013 64.102 -0.089 1
1 698 . 3 1 1 A 63 63 SER N N 72 111.842 116.521 -4.679 1
1 699 . 3 1 1 A 64 64 ASP H H 73 7.247 7.560 -0.313 1
1 700 . 3 1 1 A 64 64 ASP HA H 73 4.867 4.663 0.204 1
1 702 . 3 1 1 A 64 64 ASP CA C 73 55.500 53.962 1.538 1
1 703 . 3 1 1 A 64 64 ASP CB C 73 43.331 42.014 1.317 1
1 704 . 3 1 1 A 64 64 ASP N N 73 121.964 124.340 -2.376 1
1 705 . 3 1 1 A 65 65 SER H H 74 8.742 8.510 0.232 1
1 706 . 3 1 1 A 65 65 SER HA H 74 5.074 4.994 0.080 1
1 708 . 3 1 1 A 65 65 SER CA C 74 56.301 57.611 -1.310 1
1 709 . 3 1 1 A 65 65 SER CB C 74 67.579 66.594 0.985 1
1 710 . 3 1 1 A 65 65 SER N N 74 111.936 119.313 -7.377 1
1 711 . 3 1 1 A 66 66 VAL H H 75 8.622 8.382 0.240 1
1 712 . 3 1 1 A 66 66 VAL HA H 75 5.095 5.014 0.081 1
1 720 . 3 1 1 A 66 66 VAL CA C 75 60.217 60.488 -0.271 1
1 721 . 3 1 1 A 66 66 VAL CB C 75 36.617 35.248 1.369 1
1 724 . 3 1 1 A 66 66 VAL N N 75 119.422 122.514 -3.092 1
1 725 . 3 1 1 A 67 67 THR H H 76 9.152 8.660 0.492 1
1 726 . 3 1 1 A 67 67 THR HA H 76 5.199 4.995 0.204 1
1 731 . 3 1 1 A 67 67 THR CA C 76 63.014 61.997 1.017 1
1 732 . 3 1 1 A 67 67 THR CB C 76 69.703 71.234 -1.531 1
1 734 . 3 1 1 A 67 67 THR N N 76 123.839 122.992 0.847 1
1 735 . 3 1 1 A 68 68 ILE H H 77 9.106 9.043 0.063 1
1 736 . 3 1 1 A 68 68 ILE HA H 77 5.389 4.738 0.651 1
1 746 . 3 1 1 A 68 68 ILE CA C 77 59.844 60.344 -0.500 1
1 747 . 3 1 1 A 68 68 ILE CB C 77 40.347 39.120 1.227 1
1 751 . 3 1 1 A 68 68 ILE N N 77 129.275 129.824 -0.549 1
1 752 . 3 1 1 A 69 69 SER H H 78 9.645 8.899 0.746 1
1 753 . 3 1 1 A 69 69 SER HA H 78 5.265 5.147 0.118 1
1 756 . 3 1 1 A 69 69 SER CA C 78 56.114 57.293 -1.179 1
1 757 . 3 1 1 A 69 69 SER CB C 78 66.087 65.212 0.875 1
1 758 . 3 1 1 A 69 69 SER N N 78 120.559 124.435 -3.876 1
1 759 . 3 1 1 A 70 70 VAL H H 79 8.482 8.316 0.166 1
1 760 . 3 1 1 A 70 70 VAL HA H 79 4.676 4.546 0.130 1
1 768 . 3 1 1 A 70 70 VAL CA C 79 60.852 61.099 -0.247 1
1 769 . 3 1 1 A 70 70 VAL CB C 79 32.992 33.095 -0.103 1
1 772 . 3 1 1 A 70 70 VAL N N 79 121.777 124.214 -2.437 1
1 773 . 3 1 1 A 71 71 TRP H H 80 8.627 8.221 0.406 1
1 774 . 3 1 1 A 71 71 TRP HA H 80 4.930 5.003 -0.073 1
1 783 . 3 1 1 A 71 71 TRP CA C 80 55.182 55.085 0.097 1
1 784 . 3 1 1 A 71 71 TRP CB C 80 34.058 33.417 0.641 1
1 790 . 3 1 1 A 71 71 TRP N N 80 124.474 126.871 -2.397 1
1 792 . 3 1 1 A 72 72 ASN H H 81 9.891 9.103 0.788 1
1 793 . 3 1 1 A 72 72 ASN HA H 81 4.789 4.986 -0.197 1
1 798 . 3 1 1 A 72 72 ASN CA C 81 51.049 51.725 -0.676 1
1 799 . 3 1 1 A 72 72 ASN CB C 81 39.091 38.116 0.975 1
1 800 . 3 1 1 A 72 72 ASN N N 81 116.435 122.183 -5.748 1
1 802 . 3 1 1 A 73 73 HIS H H 82 9.967 9.043 0.924 1
1 803 . 3 1 1 A 73 73 HIS HA H 82 4.499 4.475 0.024 1
1 806 . 3 1 1 A 73 73 HIS CA C 82 60.788 60.650 0.138 1
1 807 . 3 1 1 A 73 73 HIS CB C 82 32.327 30.701 1.626 1
1 808 . 3 1 1 A 73 73 HIS N N 82 127.963 126.204 1.759 1
1 809 . 3 1 1 A 74 74 LYS H H 83 7.764 8.514 -0.750 1
1 810 . 3 1 1 A 74 74 LYS HA H 83 4.297 3.955 0.342 1
1 817 . 3 1 1 A 74 74 LYS CA C 83 59.232 60.123 -0.891 1
1 818 . 3 1 1 A 74 74 LYS CB C 83 33.640 32.662 0.978 1
1 822 . 3 1 1 A 74 74 LYS N N 83 112.592 119.246 -6.654 1
1 823 . 3 1 1 A 75 75 LYS H H 84 7.626 7.888 -0.262 1
1 824 . 3 1 1 A 75 75 LYS HA H 84 4.607 4.222 0.385 1
1 832 . 3 1 1 A 75 75 LYS CA C 84 55.828 59.059 -3.231 1
1 833 . 3 1 1 A 75 75 LYS CB C 84 36.064 32.191 3.873 1
1 837 . 3 1 1 A 75 75 LYS N N 84 114.560 118.936 -4.376 1
1 838 . 3 1 1 A 76 76 ILE H H 85 7.021 8.269 -1.248 1
1 839 . 3 1 1 A 76 76 ILE HA H 85 4.132 4.137 -0.005 1
1 849 . 3 1 1 A 76 76 ILE CA C 85 64.013 64.232 -0.219 1
1 850 . 3 1 1 A 76 76 ILE CB C 85 39.146 37.692 1.454 1
1 854 . 3 1 1 A 76 76 ILE N N 85 113.811 117.203 -3.392 1
1 855 . 3 1 1 A 77 77 HIS H H 86 8.335 7.305 1.030 1
1 856 . 3 1 1 A 77 77 HIS HA H 86 4.612 4.356 0.256 1
1 859 . 3 1 1 A 77 77 HIS CA C 86 56.815 59.541 -2.726 1
1 860 . 3 1 1 A 77 77 HIS CB C 86 30.461 30.109 0.352 1
1 862 . 3 1 1 A 77 77 HIS N N 86 117.841 120.335 -2.494 1
1 863 . 3 1 1 A 78 78 LYS H H 87 7.587 7.475 0.112 1
1 864 . 3 1 1 A 78 78 LYS HA H 87 4.094 3.996 0.098 1
1 870 . 3 1 1 A 78 78 LYS CA C 87 57.628 59.500 -1.872 1
1 871 . 3 1 1 A 78 78 LYS CB C 87 32.893 33.127 -0.234 1
1 875 . 3 1 1 A 78 78 LYS N N 87 120.652 120.955 -0.303 1
1 876 . 3 1 1 A 79 79 LYS H H 88 7.585 7.287 0.298 1
1 877 . 3 1 1 A 79 79 LYS HA H 88 4.304 4.611 -0.307 1
1 883 . 3 1 1 A 79 79 LYS CA C 88 56.467 54.973 1.494 1
1 884 . 3 1 1 A 79 79 LYS CB C 88 34.013 36.032 -2.019 1
1 888 . 3 1 1 A 79 79 LYS N N 88 115.872 116.486 -0.614 1
1 889 . 3 1 1 A 80 80 GLN H H 89 8.625 8.460 0.165 1
1 890 . 3 1 1 A 80 80 GLN HA H 89 4.192 3.971 0.221 1
1 893 . 3 1 1 A 80 80 GLN CA C 89 57.590 57.626 -0.036 1
1 894 . 3 1 1 A 80 80 GLN CB C 89 28.331 28.501 -0.170 1
1 896 . 3 1 1 A 80 80 GLN N N 89 121.308 120.902 0.406 1
1 897 . 3 1 1 A 81 81 GLY H H 90 8.791 8.943 -0.152 1
1 898 . 3 1 1 A 81 81 GLY HA2 H 90 4.332 4.030 0.302 1
1 899 . 3 1 1 A 81 81 GLY HA3 H 90 3.850 4.044 -0.194 1
1 900 . 3 1 1 A 81 81 GLY CA C 90 45.950 45.397 0.553 1
1 901 . 3 1 1 A 81 81 GLY N N 90 112.984 115.038 -2.054 1
1 902 . 3 1 1 A 82 82 ALA H H 91 7.951 7.939 0.012 1
1 903 . 3 1 1 A 82 82 ALA HA H 91 4.485 4.214 0.271 1
1 907 . 3 1 1 A 82 82 ALA CA C 91 53.404 53.730 -0.326 1
1 908 . 3 1 1 A 82 82 ALA CB C 91 20.762 18.452 2.310 1
1 909 . 3 1 1 A 82 82 ALA N N 91 123.745 123.665 0.080 1
1 910 . 3 1 1 A 83 83 GLY H H 92 8.860 8.887 -0.027 1
1 911 . 3 1 1 A 83 83 GLY HA2 H 92 4.270 4.223 0.047 1
1 912 . 3 1 1 A 83 83 GLY HA3 H 92 4.262 4.272 -0.010 1
1 913 . 3 1 1 A 83 83 GLY CA C 92 46.689 45.544 1.145 1
1 914 . 3 1 1 A 83 83 GLY N N 92 105.564 111.075 -5.511 1
1 915 . 3 1 1 A 84 84 PHE H H 93 8.113 8.078 0.035 1
1 916 . 3 1 1 A 84 84 PHE HA H 93 3.440 4.411 -0.971 1
1 924 . 3 1 1 A 84 84 PHE CA C 93 59.932 57.944 1.988 1
1 925 . 3 1 1 A 84 84 PHE CB C 93 39.141 40.332 -1.191 1
1 929 . 3 1 1 A 84 84 PHE N N 93 121.215 121.538 -0.323 1
1 930 . 3 1 1 A 85 85 LEU H H 94 8.204 7.282 0.922 1
1 931 . 3 1 1 A 85 85 LEU HA H 94 4.334 4.223 0.111 1
1 938 . 3 1 1 A 85 85 LEU CA C 94 53.569 53.349 0.220 1
1 939 . 3 1 1 A 85 85 LEU CB C 94 43.255 42.371 0.884 1
1 942 . 3 1 1 A 85 85 LEU N N 94 125.432 126.815 -1.383 1
1 943 . 3 1 1 A 86 86 GLY HA2 H 95 4.222 3.804 0.418 1
1 944 . 3 1 1 A 86 86 GLY HA3 H 95 3.147 3.805 -0.658 1
1 945 . 3 1 1 A 86 86 GLY CA C 95 45.570 44.352 1.218 1
1 946 . 3 1 1 A 87 87 CYS H H 96 9.230 8.025 1.205 1
1 947 . 3 1 1 A 87 87 CYS HA H 96 5.838 5.241 0.597 1
1 949 . 3 1 1 A 87 87 CYS CA C 96 55.882 57.537 -1.655 1
1 950 . 3 1 1 A 87 87 CYS CB C 96 33.259 29.274 3.985 1
1 951 . 3 1 1 A 87 87 CYS N N 96 114.935 120.752 -5.817 1
1 952 . 3 1 1 A 88 88 VAL H H 97 9.242 8.969 0.273 1
1 953 . 3 1 1 A 88 88 VAL HA H 97 4.575 4.800 -0.225 1
1 961 . 3 1 1 A 88 88 VAL CA C 97 61.769 60.225 1.544 1
1 962 . 3 1 1 A 88 88 VAL CB C 97 35.684 33.832 1.852 1
1 965 . 3 1 1 A 88 88 VAL N N 97 115.966 124.682 -8.716 1
1 966 . 3 1 1 A 89 89 ARG H H 98 8.665 9.105 -0.440 1
1 967 . 3 1 1 A 89 89 ARG HA H 98 5.166 5.242 -0.076 1
1 973 . 3 1 1 A 89 89 ARG CA C 98 54.929 54.404 0.525 1
1 974 . 3 1 1 A 89 89 ARG CB C 98 31.961 33.704 -1.743 1
1 977 . 3 1 1 A 89 89 ARG N N 98 125.526 129.758 -4.232 1
1 978 . 3 1 1 A 90 90 LEU H H 99 9.611 8.626 0.985 1
1 979 . 3 1 1 A 90 90 LEU HA H 99 4.644 5.163 -0.519 1
1 989 . 3 1 1 A 90 90 LEU CA C 99 53.217 52.976 0.241 1
1 990 . 3 1 1 A 90 90 LEU CB C 99 43.339 44.863 -1.524 1
1 994 . 3 1 1 A 90 90 LEU N N 99 127.119 127.378 -0.259 1
1 995 . 3 1 1 A 91 91 LEU H H 100 7.953 8.590 -0.637 1
1 996 . 3 1 1 A 91 91 LEU HA H 100 4.540 4.646 -0.106 1
1 1005 . 3 1 1 A 91 91 LEU CA C 100 54.523 54.026 0.497 1
1 1006 . 3 1 1 A 91 91 LEU CB C 100 42.593 42.354 0.239 1
1 1010 . 3 1 1 A 91 91 LEU N N 100 122.527 125.288 -2.761 1
1 1011 . 3 1 1 A 92 92 SER H H 101 8.754 8.837 -0.083 1
1 1012 . 3 1 1 A 92 92 SER HA H 101 3.950 4.163 -0.213 1
1 1013 . 3 1 1 A 92 92 SER CA C 101 63.171 61.604 1.567 1
1 1014 . 3 1 1 A 92 92 SER N N 101 115.966 116.410 -0.444 1
1 1015 . 3 1 1 A 93 93 ASN H H 102 7.765 8.264 -0.499 1
1 1016 . 3 1 1 A 93 93 ASN HA H 102 4.500 4.484 0.016 1
1 1020 . 3 1 1 A 93 93 ASN CA C 102 56.487 56.328 0.159 1
1 1021 . 3 1 1 A 93 93 ASN CB C 102 37.514 38.091 -0.577 1
1 1022 . 3 1 1 A 93 93 ASN N N 102 116.950 120.875 -3.925 1
1 1024 . 3 1 1 A 94 94 ALA H H 103 7.345 7.752 -0.407 1
1 1025 . 3 1 1 A 94 94 ALA HA H 103 4.230 4.094 0.136 1
1 1029 . 3 1 1 A 94 94 ALA CA C 103 54.843 55.126 -0.283 1
1 1030 . 3 1 1 A 94 94 ALA CB C 103 19.643 18.033 1.610 1
1 1031 . 3 1 1 A 94 94 ALA N N 103 124.495 122.165 2.330 1
1 1032 . 3 1 1 A 95 95 ILE H H 104 8.322 8.293 0.029 1
1 1033 . 3 1 1 A 95 95 ILE HA H 104 3.280 3.658 -0.378 1
1 1043 . 3 1 1 A 95 95 ILE CA C 104 66.184 64.508 1.676 1
1 1044 . 3 1 1 A 95 95 ILE CB C 104 37.922 37.287 0.635 1
1 1048 . 3 1 1 A 95 95 ILE N N 104 119.310 119.316 -0.006 1
1 1049 . 3 1 1 A 96 96 ASN H H 105 7.815 8.143 -0.328 1
1 1050 . 3 1 1 A 96 96 ASN HA H 105 4.332 4.405 -0.073 1
1 1052 . 3 1 1 A 96 96 ASN CA C 105 56.487 56.630 -0.143 1
1 1053 . 3 1 1 A 96 96 ASN CB C 105 38.855 39.013 -0.158 1
1 1054 . 3 1 1 A 96 96 ASN N N 105 114.748 120.282 -5.534 1
1 1055 . 3 1 1 A 97 97 ARG H H 106 7.595 7.743 -0.148 1
1 1056 . 3 1 1 A 97 97 ARG HA H 106 4.257 4.117 0.140 1
1 1061 . 3 1 1 A 97 97 ARG CA C 106 58.294 58.851 -0.557 1
1 1062 . 3 1 1 A 97 97 ARG CB C 106 31.401 29.594 1.807 1
1 1065 . 3 1 1 A 97 97 ARG N N 106 117.934 118.826 -0.892 1
1 1066 . 3 1 1 A 98 98 LEU H H 107 8.179 8.591 -0.412 1
1 1067 . 3 1 1 A 98 98 LEU HA H 107 4.288 4.539 -0.251 1
1 1077 . 3 1 1 A 98 98 LEU CA C 107 55.735 57.506 -1.771 1
1 1078 . 3 1 1 A 98 98 LEU CB C 107 44.264 41.214 3.050 1
1 1082 . 3 1 1 A 98 98 LEU N N 107 116.341 119.263 -2.922 1
1 1083 . 3 1 1 A 99 99 LYS H H 108 8.058 8.747 -0.689 1
1 1084 . 3 1 1 A 99 99 LYS HA H 108 4.078 4.062 0.016 1
1 1091 . 3 1 1 A 99 99 LYS CA C 108 58.256 58.948 -0.692 1
1 1092 . 3 1 1 A 99 99 LYS CB C 108 32.520 31.956 0.564 1
1 1096 . 3 1 1 A 99 99 LYS N N 108 123.558 117.750 5.808 1
1 1097 . 3 1 1 A 100 100 ASP H H 109 9.305 7.425 1.880 1
1 1098 . 3 1 1 A 100 100 ASP HA H 109 4.672 4.481 0.191 1
1 1101 . 3 1 1 A 100 100 ASP CA C 109 57.047 56.389 0.658 1
1 1102 . 3 1 1 A 100 100 ASP CB C 109 39.041 40.840 -1.799 1
1 1103 . 3 1 1 A 100 100 ASP N N 109 115.779 119.895 -4.116 1
1 1104 . 3 1 1 A 101 101 THR H H 110 7.546 7.619 -0.073 1
1 1105 . 3 1 1 A 101 101 THR HA H 110 4.675 4.149 0.526 1
1 1110 . 3 1 1 A 101 101 THR CA C 110 61.895 63.825 -1.930 1
1 1111 . 3 1 1 A 101 101 THR CB C 110 70.432 69.455 0.977 1
1 1113 . 3 1 1 A 101 101 THR N N 110 129.087 110.682 18.405 1
1 1114 . 3 1 1 A 102 102 GLY H H 111 8.921 8.184 0.737 1
1 1115 . 3 1 1 A 102 102 GLY HA2 H 111 4.337 3.781 0.556 1
1 1116 . 3 1 1 A 102 102 GLY HA3 H 111 3.563 3.826 -0.263 1
1 1117 . 3 1 1 A 102 102 GLY CA C 111 44.062 45.360 -1.298 1
1 1118 . 3 1 1 A 102 102 GLY N N 111 112.780 110.484 2.296 1
1 1119 . 3 1 1 A 103 103 TYR H H 112 8.255 8.109 0.146 1
1 1120 . 3 1 1 A 103 103 TYR HA H 112 4.574 5.505 -0.931 1
1 1127 . 3 1 1 A 103 103 TYR CA C 112 59.745 56.478 3.267 1
1 1128 . 3 1 1 A 103 103 TYR CB C 112 38.295 39.258 -0.963 1
1 1131 . 3 1 1 A 103 103 TYR N N 112 117.653 118.752 -1.099 1
1 1132 . 3 1 1 A 104 104 GLN H H 113 9.435 8.803 0.632 1
1 1133 . 3 1 1 A 104 104 GLN HA H 113 4.659 4.909 -0.250 1
1 1140 . 3 1 1 A 104 104 GLN CA C 113 53.852 55.055 -1.203 1
1 1141 . 3 1 1 A 104 104 GLN CB C 113 31.128 31.152 -0.024 1
1 1143 . 3 1 1 A 104 104 GLN N N 113 121.964 124.202 -2.238 1
1 1145 . 3 1 1 A 105 105 ARG H H 114 8.670 8.873 -0.203 1
1 1146 . 3 1 1 A 105 105 ARG HA H 114 4.838 5.304 -0.466 1
1 1151 . 3 1 1 A 105 105 ARG CA C 114 55.090 54.954 0.136 1
1 1152 . 3 1 1 A 105 105 ARG CB C 114 31.401 32.072 -0.671 1
1 1155 . 3 1 1 A 105 105 ARG N N 114 122.246 123.373 -1.127 1
1 1156 . 3 1 1 A 106 106 LEU H H 115 9.269 8.665 0.604 1
1 1157 . 3 1 1 A 106 106 LEU HA H 115 4.843 4.913 -0.070 1
1 1163 . 3 1 1 A 106 106 LEU CA C 115 53.317 53.605 -0.288 1
1 1164 . 3 1 1 A 106 106 LEU CB C 115 44.570 43.890 0.680 1
1 1166 . 3 1 1 A 106 106 LEU N N 115 126.088 126.133 -0.045 1
1 1167 . 3 1 1 A 107 107 ASP H H 116 8.582 8.695 -0.113 1
1 1168 . 3 1 1 A 107 107 ASP HA H 116 4.748 4.808 -0.060 1
1 1171 . 3 1 1 A 107 107 ASP CA C 116 55.402 54.204 1.198 1
1 1172 . 3 1 1 A 107 107 ASP CB C 116 41.280 41.425 -0.145 1
1 1173 . 3 1 1 A 107 107 ASP N N 116 122.714 124.092 -1.378 1
1 1174 . 3 1 1 A 108 108 LEU H H 117 8.067 8.582 -0.515 1
1 1175 . 3 1 1 A 108 108 LEU HA H 117 4.195 4.530 -0.335 1
1 1185 . 3 1 1 A 108 108 LEU CA C 117 55.308 54.833 0.475 1
1 1186 . 3 1 1 A 108 108 LEU CB C 117 42.871 42.080 0.791 1
1 1190 . 3 1 1 A 108 108 LEU N N 117 121.121 124.472 -3.351 1
1 1191 . 3 1 1 A 109 109 CYS H H 118 9.705 8.724 0.981 1
1 1192 . 3 1 1 A 109 109 CYS HA H 118 4.839 5.055 -0.216 1
1 1195 . 3 1 1 A 109 109 CYS CA C 118 57.979 56.963 1.016 1
1 1196 . 3 1 1 A 109 109 CYS CB C 118 31.953 31.242 0.711 1
1 1197 . 3 1 1 A 109 109 CYS N N 118 118.403 121.736 -3.333 1
1 1198 . 3 1 1 A 110 110 LYS H H 119 8.419 8.351 0.068 1
1 1199 . 3 1 1 A 110 110 LYS HA H 119 4.426 4.524 -0.098 1
1 1207 . 3 1 1 A 110 110 LYS CA C 119 56.957 56.545 0.412 1
1 1208 . 3 1 1 A 110 110 LYS CB C 119 34.386 32.979 1.407 1
1 1212 . 3 1 1 A 110 110 LYS N N 119 120.090 119.516 0.574 1
1 1213 . 3 1 1 A 111 111 LEU H H 120 9.016 8.383 0.633 1
1 1214 . 3 1 1 A 111 111 LEU HA H 120 4.054 3.980 0.074 1
1 1223 . 3 1 1 A 111 111 LEU CA C 120 57.694 56.232 1.462 1
1 1224 . 3 1 1 A 111 111 LEU CB C 120 43.062 42.549 0.513 1
1 1227 . 3 1 1 A 111 111 LEU N N 120 123.089 120.789 2.300 1
1 1228 . 3 1 1 A 112 112 GLY H H 121 7.578 7.235 0.343 1
1 1229 . 3 1 1 A 112 112 GLY HA2 H 121 4.320 4.037 0.283 1
1 1230 . 3 1 1 A 112 112 GLY HA3 H 121 3.863 4.048 -0.185 1
1 1231 . 3 1 1 A 112 112 GLY CA C 121 44.644 45.166 -0.522 1
1 1232 . 3 1 1 A 112 112 GLY N N 121 105.939 104.483 1.456 1
1 1233 . 3 1 1 A 113 113 PRO HA H 122 4.365 4.297 0.068 1
1 1240 . 3 1 1 A 113 113 PRO CA C 122 64.692 65.365 -0.673 1
1 1241 . 3 1 1 A 113 113 PRO CB C 122 32.663 31.748 0.915 1
1 1244 . 3 1 1 A 114 114 ASN H H 123 8.603 8.607 -0.004 1
1 1245 . 3 1 1 A 114 114 ASN HA H 123 4.899 4.610 0.289 1
1 1250 . 3 1 1 A 114 114 ASN CA C 123 52.944 54.504 -1.560 1
1 1251 . 3 1 1 A 114 114 ASN CB C 123 39.041 38.109 0.932 1
1 1252 . 3 1 1 A 114 114 ASN N N 123 115.591 115.221 0.370 1
1 1254 . 3 1 1 A 115 115 ASP H H 124 7.507 7.629 -0.122 1
1 1255 . 3 1 1 A 115 115 ASP HA H 124 4.507 4.886 -0.379 1
1 1258 . 3 1 1 A 115 115 ASP CA C 124 54.843 53.312 1.531 1
1 1259 . 3 1 1 A 115 115 ASP CB C 124 41.620 41.566 0.054 1
1 1260 . 3 1 1 A 115 115 ASP N N 124 121.215 118.256 2.959 1
1 1261 . 3 1 1 A 116 116 ASN H H 125 8.741 7.071 1.670 1
1 1262 . 3 1 1 A 116 116 ASN HA H 125 4.823 4.569 0.254 1
1 1267 . 3 1 1 A 116 116 ASN CA C 125 53.447 53.746 -0.299 1
1 1268 . 3 1 1 A 116 116 ASN CB C 125 43.830 38.682 5.148 1
1 1269 . 3 1 1 A 116 116 ASN N N 125 120.137 119.615 0.522 1
1 1271 . 3 1 1 A 117 117 ASP H H 126 8.039 8.777 -0.738 1
1 1272 . 3 1 1 A 117 117 ASP HA H 126 4.745 4.931 -0.186 1
1 1274 . 3 1 1 A 117 117 ASP CA C 126 54.436 53.160 1.276 1
1 1275 . 3 1 1 A 117 117 ASP CB C 126 42.046 40.828 1.218 1
1 1276 . 3 1 1 A 117 117 ASP N N 126 120.746 124.434 -3.688 1
1 1277 . 3 1 1 A 118 118 THR H H 127 8.361 8.018 0.343 1
1 1278 . 3 1 1 A 118 118 THR HA H 127 4.331 3.965 0.366 1
1 1283 . 3 1 1 A 118 118 THR CA C 127 62.454 62.822 -0.368 1
1 1284 . 3 1 1 A 118 118 THR CB C 127 70.191 66.284 3.907 1
1 1286 . 3 1 1 A 118 118 THR N N 127 116.903 113.582 3.321 1
1 1287 . 3 1 1 A 119 119 VAL H H 128 8.152 7.755 0.397 1
1 1288 . 3 1 1 A 119 119 VAL HA H 128 4.172 4.900 -0.728 1
1 1296 . 3 1 1 A 119 119 VAL CA C 128 61.051 59.464 1.587 1
1 1297 . 3 1 1 A 119 119 VAL CB C 128 35.124 35.772 -0.648 1
1 1300 . 3 1 1 A 119 119 VAL N N 128 119.903 121.442 -1.539 1
1 1301 . 3 1 1 A 120 120 ARG H H 129 7.884 8.708 -0.824 1
1 1302 . 3 1 1 A 120 120 ARG HA H 129 4.719 4.830 -0.111 1
1 1307 . 3 1 1 A 120 120 ARG CA C 129 55.555 55.747 -0.192 1
1 1308 . 3 1 1 A 120 120 ARG CB C 129 34.945 32.889 2.056 1
1 1311 . 3 1 1 A 120 120 ARG N N 129 122.621 125.203 -2.582 1
1 1312 . 3 1 1 A 121 121 GLY H H 130 8.289 8.075 0.214 1
1 1313 . 3 1 1 A 121 121 GLY HA2 H 130 4.605 4.116 0.489 1
1 1314 . 3 1 1 A 121 121 GLY HA3 H 130 3.803 4.130 -0.327 1
1 1315 . 3 1 1 A 121 121 GLY CA C 130 45.756 45.770 -0.014 1
1 1316 . 3 1 1 A 121 121 GLY N N 130 107.626 112.744 -5.118 1
1 1317 . 3 1 1 A 122 122 GLN H H 131 8.408 8.814 -0.406 1
1 1318 . 3 1 1 A 122 122 GLN HA H 131 5.434 5.255 0.179 1
1 1323 . 3 1 1 A 122 122 GLN CA C 131 54.809 54.126 0.683 1
1 1324 . 3 1 1 A 122 122 GLN CB C 131 34.756 33.646 1.110 1
1 1326 . 3 1 1 A 122 122 GLN N N 131 114.654 117.861 -3.207 1
1 1328 . 3 1 1 A 123 123 ILE H H 132 9.273 8.623 0.650 1
1 1329 . 3 1 1 A 123 123 ILE HA H 132 5.207 4.648 0.559 1
1 1339 . 3 1 1 A 123 123 ILE CA C 132 59.284 60.102 -0.818 1
1 1340 . 3 1 1 A 123 123 ILE CB C 132 44.085 41.490 2.595 1
1 1344 . 3 1 1 A 123 123 ILE N N 132 118.216 121.280 -3.064 1
1 1345 . 3 1 1 A 124 124 VAL H H 133 8.750 9.188 -0.438 1
1 1346 . 3 1 1 A 124 124 VAL HA H 133 5.338 4.785 0.553 1
1 1354 . 3 1 1 A 124 124 VAL CA C 133 61.611 61.384 0.227 1
1 1355 . 3 1 1 A 124 124 VAL CB C 133 32.620 32.919 -0.299 1
1 1358 . 3 1 1 A 124 124 VAL N N 133 126.088 128.963 -2.875 1
1 1359 . 3 1 1 A 125 125 VAL H H 134 8.698 9.411 -0.713 1
1 1360 . 3 1 1 A 125 125 VAL HA H 134 5.859 5.688 0.171 1
1 1368 . 3 1 1 A 125 125 VAL CA C 134 57.880 59.162 -1.282 1
1 1369 . 3 1 1 A 125 125 VAL CB C 134 36.990 36.648 0.342 1
1 1372 . 3 1 1 A 125 125 VAL N N 134 117.895 121.634 -3.739 1
1 1373 . 3 1 1 A 126 126 SER H H 135 8.746 8.817 -0.071 1
1 1374 . 3 1 1 A 126 126 SER HA H 135 4.881 5.396 -0.515 1
1 1377 . 3 1 1 A 126 126 SER CA C 135 56.860 56.969 -0.109 1
1 1378 . 3 1 1 A 126 126 SER CB C 135 66.695 65.942 0.753 1
1 1379 . 3 1 1 A 126 126 SER N N 135 112.967 115.843 -2.876 1
1 1380 . 3 1 1 A 127 127 LEU H H 136 9.710 8.999 0.711 1
1 1381 . 3 1 1 A 127 127 LEU HA H 136 5.244 5.121 0.123 1
1 1390 . 3 1 1 A 127 127 LEU CA C 136 54.436 53.578 0.858 1
1 1391 . 3 1 1 A 127 127 LEU CB C 136 46.137 42.294 3.843 1
1 1395 . 3 1 1 A 127 127 LEU N N 136 125.760 126.941 -1.181 1
1 1396 . 3 1 1 A 128 128 GLN H H 137 9.256 8.471 0.785 1
1 1397 . 3 1 1 A 128 128 GLN HA H 137 5.128 5.760 -0.632 1
1 1404 . 3 1 1 A 128 128 GLN CA C 137 54.063 54.476 -0.413 1
1 1405 . 3 1 1 A 128 128 GLN CB C 137 34.063 32.533 1.530 1
1 1407 . 3 1 1 A 128 128 GLN N N 137 125.526 125.706 -0.180 1
1 1409 . 3 1 1 A 129 129 SER H H 138 8.222 8.652 -0.430 1
1 1410 . 3 1 1 A 129 129 SER HA H 138 4.476 4.543 -0.067 1
1 1413 . 3 1 1 A 129 129 SER CA C 138 60.814 57.968 2.846 1
1 1414 . 3 1 1 A 129 129 SER CB C 138 63.116 64.003 -0.887 1
1 1415 . 3 1 1 A 129 129 SER N N 138 125.620 119.641 5.979 1
1 1416 . 3 1 1 A 130 130 ARG H H 139 8.032 8.188 -0.156 1
1 1417 . 3 1 1 A 130 130 ARG HA H 139 4.601 4.649 -0.048 1
1 1424 . 3 1 1 A 130 130 ARG CA C 139 53.934 55.175 -1.241 1
1 1425 . 3 1 1 A 130 130 ARG CB C 139 32.334 32.063 0.271 1
1 1428 . 3 1 1 A 130 130 ARG N N 139 123.136 124.129 -0.993 1
1 6 . 4 1 1 A 2 2 PRO HA H 11 4.498 4.888 -0.390 1
1 11 . 4 1 1 A 2 2 PRO CA C 11 63.103 62.867 0.236 1
1 12 . 4 1 1 A 2 2 PRO CB C 11 32.993 33.474 -0.481 1
1 15 . 4 1 1 A 3 3 VAL H H 12 8.356 8.354 0.002 1
1 16 . 4 1 1 A 3 3 VAL HA H 12 4.370 5.012 -0.642 1
1 24 . 4 1 1 A 3 3 VAL CA C 12 60.982 59.085 1.897 1
1 25 . 4 1 1 A 3 3 VAL CB C 12 34.005 34.646 -0.641 1
1 28 . 4 1 1 A 3 3 VAL N N 12 119.528 115.467 4.061 1
1 29 . 4 1 1 A 4 4 LYS H H 13 8.542 8.961 -0.419 1
1 30 . 4 1 1 A 4 4 LYS HA H 13 4.752 4.767 -0.015 1
1 38 . 4 1 1 A 4 4 LYS CA C 13 55.339 56.154 -0.815 1
1 39 . 4 1 1 A 4 4 LYS CB C 13 33.640 33.098 0.542 1
1 43 . 4 1 1 A 4 4 LYS N N 13 125.901 124.955 0.946 1
1 44 . 4 1 1 A 5 5 LEU H H 14 8.887 8.691 0.196 1
1 45 . 4 1 1 A 5 5 LEU HA H 14 4.927 5.174 -0.247 1
1 51 . 4 1 1 A 5 5 LEU CA C 14 52.944 53.480 -0.536 1
1 52 . 4 1 1 A 5 5 LEU CB C 14 47.069 46.227 0.842 1
1 54 . 4 1 1 A 5 5 LEU N N 14 126.276 128.271 -1.995 1
1 55 . 4 1 1 A 6 6 ARG H H 15 9.361 8.503 0.858 1
1 56 . 4 1 1 A 6 6 ARG HA H 15 5.205 4.964 0.241 1
1 61 . 4 1 1 A 6 6 ARG CA C 15 55.064 55.255 -0.191 1
1 62 . 4 1 1 A 6 6 ARG CB C 15 31.979 30.840 1.139 1
1 64 . 4 1 1 A 6 6 ARG N N 15 123.745 125.594 -1.849 1
1 65 . 4 1 1 A 7 7 LEU H H 16 9.694 8.688 1.006 1
1 66 . 4 1 1 A 7 7 LEU HA H 16 5.437 4.910 0.527 1
1 73 . 4 1 1 A 7 7 LEU CA C 16 53.777 53.845 -0.068 1
1 74 . 4 1 1 A 7 7 LEU CB C 16 45.577 43.472 2.105 1
1 77 . 4 1 1 A 7 7 LEU N N 16 111.467 127.172 -15.705 1
1 78 . 4 1 1 A 8 8 THR H H 17 9.470 9.203 0.267 1
1 79 . 4 1 1 A 8 8 THR HA H 17 4.904 4.960 -0.056 1
1 84 . 4 1 1 A 8 8 THR CA C 17 62.827 62.209 0.618 1
1 85 . 4 1 1 A 8 8 THR CB C 17 69.540 69.569 -0.029 1
1 87 . 4 1 1 A 8 8 THR N N 17 124.589 124.237 0.352 1
1 88 . 4 1 1 A 9 9 VAL H H 18 9.339 9.274 0.065 1
1 89 . 4 1 1 A 9 9 VAL HA H 18 4.374 4.257 0.117 1
1 97 . 4 1 1 A 9 9 VAL CA C 18 61.708 62.946 -1.238 1
1 98 . 4 1 1 A 9 9 VAL CB C 18 31.021 30.778 0.243 1
1 101 . 4 1 1 A 9 9 VAL N N 18 127.963 127.727 0.236 1
1 102 . 4 1 1 A 10 10 LEU H H 19 8.957 8.394 0.563 1
1 103 . 4 1 1 A 10 10 LEU HA H 19 4.334 4.273 0.061 1
1 113 . 4 1 1 A 10 10 LEU CA C 19 59.232 57.866 1.366 1
1 114 . 4 1 1 A 10 10 LEU CB C 19 43.525 42.716 0.809 1
1 118 . 4 1 1 A 10 10 LEU N N 19 127.775 129.433 -1.658 1
1 119 . 4 1 1 A 11 11 CYS H H 20 8.038 7.543 0.495 1
1 120 . 4 1 1 A 11 11 CYS HA H 20 5.152 4.648 0.504 1
1 123 . 4 1 1 A 11 11 CYS CA C 20 55.928 57.092 -1.164 1
1 124 . 4 1 1 A 11 11 CYS CB C 20 30.655 30.201 0.454 1
1 125 . 4 1 1 A 11 11 CYS N N 20 109.968 113.039 -3.071 1
1 126 . 4 1 1 A 12 12 ALA H H 21 8.485 8.354 0.131 1
1 127 . 4 1 1 A 12 12 ALA HA H 21 5.397 5.364 0.033 1
1 131 . 4 1 1 A 12 12 ALA CA C 21 50.707 50.550 0.157 1
1 132 . 4 1 1 A 12 12 ALA CB C 21 22.550 23.226 -0.676 1
1 133 . 4 1 1 A 12 12 ALA N N 21 119.247 123.531 -4.284 1
1 134 . 4 1 1 A 13 13 LYS H H 22 8.905 8.817 0.088 1
1 135 . 4 1 1 A 13 13 LYS HA H 22 5.144 4.714 0.430 1
1 141 . 4 1 1 A 13 13 LYS CA C 22 54.063 54.698 -0.635 1
1 142 . 4 1 1 A 13 13 LYS CB C 22 37.217 35.837 1.380 1
1 146 . 4 1 1 A 13 13 LYS N N 22 117.934 120.054 -2.120 1
1 147 . 4 1 1 A 14 14 ASN H H 23 9.099 9.030 0.069 1
1 148 . 4 1 1 A 14 14 ASN HA H 23 4.187 4.311 -0.124 1
1 153 . 4 1 1 A 14 14 ASN CA C 23 53.735 53.888 -0.153 1
1 154 . 4 1 1 A 14 14 ASN CB C 23 37.736 36.953 0.783 1
1 155 . 4 1 1 A 14 14 ASN N N 23 118.684 120.240 -1.556 1
1 157 . 4 1 1 A 15 15 LEU H H 24 8.294 8.241 0.053 1
1 158 . 4 1 1 A 15 15 LEU HA H 24 5.161 4.311 0.850 1
1 165 . 4 1 1 A 15 15 LEU CA C 24 55.261 54.531 0.730 1
1 166 . 4 1 1 A 15 15 LEU CB C 24 42.966 42.314 0.652 1
1 169 . 4 1 1 A 15 15 LEU N N 24 114.373 121.589 -7.216 1
1 170 . 4 1 1 A 16 16 VAL H H 25 8.533 8.480 0.053 1
1 171 . 4 1 1 A 16 16 VAL HA H 25 3.635 4.043 -0.408 1
1 179 . 4 1 1 A 16 16 VAL CA C 25 62.318 63.309 -0.991 1
1 180 . 4 1 1 A 16 16 VAL CB C 25 33.064 31.971 1.093 1
1 183 . 4 1 1 A 16 16 VAL N N 25 119.200 125.231 -6.031 1
1 184 . 4 1 1 A 17 17 LYS H H 26 7.950 8.464 -0.514 1
1 185 . 4 1 1 A 17 17 LYS HA H 26 4.302 4.290 0.012 1
1 192 . 4 1 1 A 17 17 LYS CA C 26 54.150 56.871 -2.721 1
1 193 . 4 1 1 A 17 17 LYS CB C 26 33.826 31.803 2.023 1
1 197 . 4 1 1 A 17 17 LYS N N 26 128.056 125.608 2.448 1
1 198 . 4 1 1 A 18 18 LYS H H 27 8.549 7.951 0.598 1
1 199 . 4 1 1 A 18 18 LYS HA H 27 4.078 3.952 0.126 1
1 207 . 4 1 1 A 18 18 LYS CA C 27 58.626 58.702 -0.076 1
1 208 . 4 1 1 A 18 18 LYS CB C 27 33.826 31.078 2.748 1
1 211 . 4 1 1 A 18 18 LYS N N 27 125.760 114.502 11.258 1
1 212 . 4 1 1 A 19 19 ASP H H 28 8.438 8.231 0.207 1
1 213 . 4 1 1 A 19 19 ASP HA H 28 4.801 4.916 -0.115 1
1 216 . 4 1 1 A 19 19 ASP CA C 28 52.964 53.678 -0.714 1
1 217 . 4 1 1 A 19 19 ASP CB C 28 43.518 42.251 1.267 1
1 218 . 4 1 1 A 19 19 ASP N N 28 119.247 118.987 0.260 1
1 219 . 4 1 1 A 20 20 PHE H H 29 8.506 9.228 -0.722 1
1 220 . 4 1 1 A 20 20 PHE HA H 29 4.049 4.035 0.014 1
1 227 . 4 1 1 A 20 20 PHE CA C 29 60.767 62.243 -1.476 1
1 228 . 4 1 1 A 20 20 PHE CB C 29 39.305 40.015 -0.710 1
1 231 . 4 1 1 A 20 20 PHE N N 29 122.011 127.326 -5.315 1
1 232 . 4 1 1 A 21 21 PHE H H 30 8.350 8.524 -0.174 1
1 233 . 4 1 1 A 21 21 PHE HA H 30 4.677 3.900 0.777 1
1 240 . 4 1 1 A 21 21 PHE CA C 30 57.789 60.708 -2.919 1
1 241 . 4 1 1 A 21 21 PHE CB C 30 40.824 39.715 1.109 1
1 244 . 4 1 1 A 21 21 PHE N N 30 113.764 119.577 -5.813 1
1 245 . 4 1 1 A 22 22 ARG H H 31 7.631 7.917 -0.286 1
1 246 . 4 1 1 A 22 22 ARG HA H 31 4.614 4.692 -0.078 1
1 252 . 4 1 1 A 22 22 ARG CA C 31 55.325 54.360 0.965 1
1 253 . 4 1 1 A 22 22 ARG CB C 31 33.640 32.342 1.298 1
1 256 . 4 1 1 A 22 22 ARG N N 31 118.778 118.283 0.495 1
1 257 . 4 1 1 A 23 23 LEU H H 32 8.699 8.439 0.260 1
1 258 . 4 1 1 A 23 23 LEU HA H 32 4.509 4.822 -0.313 1
1 268 . 4 1 1 A 23 23 LEU CA C 32 52.758 50.976 1.782 1
1 269 . 4 1 1 A 23 23 LEU CB C 32 42.593 45.742 -3.149 1
1 273 . 4 1 1 A 23 23 LEU N N 32 123.464 121.409 2.055 1
1 274 . 4 1 1 A 24 24 PRO HA H 33 4.648 4.812 -0.164 1
1 281 . 4 1 1 A 24 24 PRO CA C 33 62.753 62.129 0.624 1
1 282 . 4 1 1 A 24 24 PRO CB C 33 33.965 32.769 1.196 1
1 285 . 4 1 1 A 25 25 ASP H H 34 7.463 8.541 -1.078 1
1 286 . 4 1 1 A 25 25 ASP HA H 34 6.052 5.906 0.146 1
1 289 . 4 1 1 A 25 25 ASP CA C 34 51.080 51.747 -0.667 1
1 290 . 4 1 1 A 25 25 ASP CB C 34 42.779 41.843 0.936 1
1 291 . 4 1 1 A 25 25 ASP N N 34 117.091 120.978 -3.887 1
1 292 . 4 1 1 A 26 26 PRO HA H 35 5.968 5.203 0.765 1
1 299 . 4 1 1 A 26 26 PRO CA C 35 62.827 62.909 -0.082 1
1 300 . 4 1 1 A 26 26 PRO CB C 35 35.132 32.868 2.264 1
1 303 . 4 1 1 A 27 27 PHE H H 36 9.284 8.813 0.471 1
1 304 . 4 1 1 A 27 27 PHE HA H 36 5.009 5.172 -0.163 1
1 312 . 4 1 1 A 27 27 PHE CA C 36 56.301 56.166 0.135 1
1 313 . 4 1 1 A 27 27 PHE CB C 36 42.689 41.167 1.522 1
1 317 . 4 1 1 A 27 27 PHE N N 36 120.090 118.757 1.333 1
1 318 . 4 1 1 A 28 28 ALA H H 37 8.408 8.544 -0.136 1
1 319 . 4 1 1 A 28 28 ALA HA H 37 5.481 5.178 0.303 1
1 323 . 4 1 1 A 28 28 ALA CA C 37 49.186 49.599 -0.413 1
1 324 . 4 1 1 A 28 28 ALA CB C 37 20.389 22.532 -2.143 1
1 325 . 4 1 1 A 28 28 ALA N N 37 122.433 121.581 0.852 1
1 326 . 4 1 1 A 29 29 LYS H H 38 9.617 8.900 0.717 1
1 327 . 4 1 1 A 29 29 LYS HA H 38 5.267 5.277 -0.010 1
1 335 . 4 1 1 A 29 29 LYS CA C 38 54.901 55.011 -0.110 1
1 336 . 4 1 1 A 29 29 LYS CB C 38 36.624 35.493 1.131 1
1 340 . 4 1 1 A 29 29 LYS N N 38 121.964 119.617 2.347 1
1 341 . 4 1 1 A 30 30 VAL H H 39 9.159 8.865 0.294 1
1 342 . 4 1 1 A 30 30 VAL HA H 39 4.494 4.565 -0.071 1
1 350 . 4 1 1 A 30 30 VAL CA C 39 61.335 62.134 -0.799 1
1 351 . 4 1 1 A 30 30 VAL CB C 39 34.954 31.951 3.003 1
1 354 . 4 1 1 A 30 30 VAL N N 39 124.497 126.830 -2.333 1
1 355 . 4 1 1 A 31 31 VAL H H 40 8.659 8.614 0.045 1
1 356 . 4 1 1 A 31 31 VAL HA H 40 5.091 4.836 0.255 1
1 364 . 4 1 1 A 31 31 VAL CA C 40 59.898 59.548 0.350 1
1 365 . 4 1 1 A 31 31 VAL CB C 40 36.959 35.541 1.418 1
1 368 . 4 1 1 A 31 31 VAL N N 40 124.589 121.021 3.568 1
1 369 . 4 1 1 A 32 32 VAL H H 41 7.786 8.372 -0.586 1
1 370 . 4 1 1 A 32 32 VAL HA H 41 4.660 4.597 0.063 1
1 378 . 4 1 1 A 32 32 VAL CA C 41 62.268 61.130 1.138 1
1 379 . 4 1 1 A 32 32 VAL CB C 41 30.995 32.453 -1.458 1
1 382 . 4 1 1 A 32 32 VAL N N 41 125.385 125.885 -0.500 1
1 383 . 4 1 1 A 33 33 ASP H H 42 8.568 8.353 0.215 1
1 384 . 4 1 1 A 33 33 ASP HA H 42 4.310 4.512 -0.202 1
1 386 . 4 1 1 A 33 33 ASP CA C 42 57.321 54.241 3.080 1
1 387 . 4 1 1 A 33 33 ASP CB C 42 40.727 39.973 0.754 1
1 388 . 4 1 1 A 33 33 ASP N N 42 130.868 128.426 2.442 1
1 389 . 4 1 1 A 34 34 GLY HA2 H 43 4.230 4.086 0.144 1
1 390 . 4 1 1 A 34 34 GLY HA3 H 43 3.818 4.093 -0.275 1
1 391 . 4 1 1 A 34 34 GLY CA C 43 46.510 45.422 1.088 1
1 392 . 4 1 1 A 35 35 SER H H 44 8.049 7.861 0.188 1
1 393 . 4 1 1 A 35 35 SER HA H 44 4.928 4.947 -0.019 1
1 396 . 4 1 1 A 35 35 SER CA C 44 58.067 57.675 0.392 1
1 397 . 4 1 1 A 35 35 SER CB C 44 67.393 66.509 0.884 1
1 398 . 4 1 1 A 35 35 SER N N 44 115.029 116.167 -1.138 1
1 399 . 4 1 1 A 36 36 GLY H H 45 8.637 8.708 -0.071 1
1 400 . 4 1 1 A 36 36 GLY HA2 H 45 4.338 3.883 0.455 1
1 401 . 4 1 1 A 36 36 GLY HA3 H 45 3.884 3.884 0.000 1
1 402 . 4 1 1 A 36 36 GLY CA C 45 46.137 46.617 -0.480 1
1 403 . 4 1 1 A 36 36 GLY N N 45 109.265 112.060 -2.795 1
1 404 . 4 1 1 A 37 37 GLN H H 46 8.329 7.637 0.692 1
1 405 . 4 1 1 A 37 37 GLN HA H 46 4.339 4.758 -0.419 1
1 412 . 4 1 1 A 37 37 GLN CA C 46 56.002 55.142 0.860 1
1 413 . 4 1 1 A 37 37 GLN CB C 46 30.241 29.556 0.685 1
1 415 . 4 1 1 A 37 37 GLN N N 46 120.699 118.137 2.562 1
1 417 . 4 1 1 A 38 38 CYS H H 47 7.787 8.887 -1.100 1
1 418 . 4 1 1 A 38 38 CYS HA H 47 5.257 5.968 -0.711 1
1 420 . 4 1 1 A 38 38 CYS CA C 47 56.761 56.756 0.005 1
1 421 . 4 1 1 A 38 38 CYS CB C 47 29.250 31.054 -1.804 1
1 422 . 4 1 1 A 38 38 CYS N N 47 124.214 122.888 1.326 1
1 423 . 4 1 1 A 39 39 HIS H H 48 8.906 8.608 0.298 1
1 424 . 4 1 1 A 39 39 HIS HA H 48 4.730 5.040 -0.310 1
1 428 . 4 1 1 A 39 39 HIS CA C 48 54.888 54.250 0.638 1
1 429 . 4 1 1 A 39 39 HIS CB C 48 34.688 34.631 0.057 1
1 431 . 4 1 1 A 39 39 HIS N N 48 125.807 119.848 5.959 1
1 432 . 4 1 1 A 40 40 SER H H 49 8.728 8.733 -0.005 1
1 433 . 4 1 1 A 40 40 SER HA H 49 5.732 5.395 0.337 1
1 436 . 4 1 1 A 40 40 SER CA C 49 57.041 57.256 -0.215 1
1 437 . 4 1 1 A 40 40 SER CB C 49 66.274 66.437 -0.163 1
1 438 . 4 1 1 A 40 40 SER N N 49 116.034 114.319 1.715 1
1 439 . 4 1 1 A 41 41 THR H H 50 9.212 8.768 0.444 1
1 440 . 4 1 1 A 41 41 THR HA H 50 4.477 4.999 -0.522 1
1 445 . 4 1 1 A 41 41 THR CA C 50 61.457 59.800 1.657 1
1 446 . 4 1 1 A 41 41 THR CB C 50 72.337 70.609 1.728 1
1 448 . 4 1 1 A 41 41 THR N N 50 115.404 112.623 2.781 1
1 449 . 4 1 1 A 42 42 ASP H H 51 9.424 8.670 0.754 1
1 450 . 4 1 1 A 42 42 ASP HA H 51 4.676 4.585 0.091 1
1 453 . 4 1 1 A 42 42 ASP CA C 51 54.996 55.165 -0.169 1
1 454 . 4 1 1 A 42 42 ASP CB C 51 41.543 41.520 0.023 1
1 455 . 4 1 1 A 42 42 ASP N N 51 119.340 123.204 -3.864 1
1 456 . 4 1 1 A 43 43 THR H H 52 8.650 8.492 0.158 1
1 457 . 4 1 1 A 43 43 THR HA H 52 4.858 5.058 -0.200 1
1 462 . 4 1 1 A 43 43 THR CA C 52 62.637 62.070 0.567 1
1 463 . 4 1 1 A 43 43 THR CB C 52 70.191 70.406 -0.215 1
1 465 . 4 1 1 A 43 43 THR N N 52 117.836 117.501 0.335 1
1 466 . 4 1 1 A 44 44 VAL H H 53 8.266 9.100 -0.834 1
1 467 . 4 1 1 A 44 44 VAL HA H 53 4.363 4.525 -0.162 1
1 475 . 4 1 1 A 44 44 VAL CA C 53 61.086 61.164 -0.078 1
1 476 . 4 1 1 A 44 44 VAL CB C 53 33.361 32.954 0.407 1
1 479 . 4 1 1 A 44 44 VAL N N 53 127.775 126.784 0.991 1
1 480 . 4 1 1 A 45 45 LYS H H 54 8.163 8.686 -0.523 1
1 481 . 4 1 1 A 45 45 LYS HA H 54 4.229 4.235 -0.006 1
1 487 . 4 1 1 A 45 45 LYS CA C 54 56.627 57.075 -0.448 1
1 488 . 4 1 1 A 45 45 LYS CB C 54 33.739 32.803 0.936 1
1 492 . 4 1 1 A 45 45 LYS N N 54 120.934 127.793 -6.859 1
1 493 . 4 1 1 A 46 46 ASN H H 55 9.642 8.848 0.794 1
1 494 . 4 1 1 A 46 46 ASN HA H 55 4.150 4.633 -0.483 1
1 499 . 4 1 1 A 46 46 ASN CA C 55 54.029 53.807 0.222 1
1 500 . 4 1 1 A 46 46 ASN CB C 55 38.668 36.153 2.515 1
1 501 . 4 1 1 A 46 46 ASN N N 55 121.215 121.804 -0.589 1
1 503 . 4 1 1 A 47 47 THR H H 56 8.246 7.915 0.331 1
1 504 . 4 1 1 A 47 47 THR HA H 56 4.661 4.826 -0.165 1
1 509 . 4 1 1 A 47 47 THR CA C 56 60.963 60.098 0.865 1
1 510 . 4 1 1 A 47 47 THR CB C 56 68.512 70.414 -1.902 1
1 512 . 4 1 1 A 47 47 THR N N 56 111.936 117.789 -5.853 1
1 513 . 4 1 1 A 48 48 LEU H H 57 8.245 8.555 -0.310 1
1 514 . 4 1 1 A 48 48 LEU HA H 57 4.410 4.658 -0.248 1
1 524 . 4 1 1 A 48 48 LEU CA C 57 53.641 53.872 -0.231 1
1 525 . 4 1 1 A 48 48 LEU CB C 57 41.570 42.250 -0.680 1
1 529 . 4 1 1 A 48 48 LEU N N 57 122.433 124.877 -2.444 1
1 530 . 4 1 1 A 49 49 ASP H H 58 8.544 7.851 0.693 1
1 531 . 4 1 1 A 49 49 ASP HA H 58 5.419 4.967 0.452 1
1 534 . 4 1 1 A 49 49 ASP CA C 58 51.826 51.788 0.038 1
1 535 . 4 1 1 A 49 49 ASP CB C 58 44.085 40.770 3.315 1
1 536 . 4 1 1 A 49 49 ASP N N 58 116.903 117.375 -0.472 1
1 537 . 4 1 1 A 50 50 PRO HA H 59 3.790 4.485 -0.695 1
1 543 . 4 1 1 A 50 50 PRO CA C 59 63.219 62.030 1.189 1
1 544 . 4 1 1 A 50 50 PRO CB C 59 32.661 32.750 -0.089 1
1 547 . 4 1 1 A 51 51 LYS H H 60 7.806 7.911 -0.105 1
1 548 . 4 1 1 A 51 51 LYS HA H 60 4.224 4.634 -0.410 1
1 555 . 4 1 1 A 51 51 LYS CA C 60 55.521 54.756 0.765 1
1 556 . 4 1 1 A 51 51 LYS CB C 60 33.826 36.398 -2.572 1
1 560 . 4 1 1 A 51 51 LYS N N 60 119.996 116.599 3.397 1
1 561 . 4 1 1 A 52 52 TRP H H 61 7.791 8.191 -0.400 1
1 562 . 4 1 1 A 52 52 TRP HA H 61 4.824 4.884 -0.060 1
1 570 . 4 1 1 A 52 52 TRP CA C 61 60.590 57.665 2.925 1
1 571 . 4 1 1 A 52 52 TRP CB C 61 29.715 31.206 -1.491 1
1 576 . 4 1 1 A 52 52 TRP N N 61 122.386 120.471 1.915 1
1 578 . 4 1 1 A 53 53 ASN H H 62 9.040 8.094 0.946 1
1 579 . 4 1 1 A 53 53 ASN HA H 62 4.419 4.486 -0.067 1
1 584 . 4 1 1 A 53 53 ASN CA C 62 53.789 54.125 -0.336 1
1 585 . 4 1 1 A 53 53 ASN CB C 62 37.922 36.258 1.664 1
1 586 . 4 1 1 A 53 53 ASN N N 62 117.185 117.555 -0.370 1
1 588 . 4 1 1 A 54 54 GLN H H 63 7.512 7.451 0.061 1
1 589 . 4 1 1 A 54 54 GLN HA H 63 4.584 4.641 -0.057 1
1 596 . 4 1 1 A 54 54 GLN CA C 63 55.008 54.628 0.380 1
1 597 . 4 1 1 A 54 54 GLN CB C 63 34.938 31.085 3.853 1
1 599 . 4 1 1 A 54 54 GLN N N 63 116.341 118.300 -1.959 1
1 601 . 4 1 1 A 55 55 HIS H H 64 7.782 8.088 -0.306 1
1 602 . 4 1 1 A 55 55 HIS HA H 64 5.796 5.980 -0.184 1
1 606 . 4 1 1 A 55 55 HIS CA C 64 53.059 53.184 -0.125 1
1 607 . 4 1 1 A 55 55 HIS CB C 64 34.378 33.056 1.322 1
1 609 . 4 1 1 A 55 55 HIS N N 64 118.403 118.293 0.110 1
1 610 . 4 1 1 A 56 56 TYR H H 65 8.657 8.829 -0.172 1
1 611 . 4 1 1 A 56 56 TYR HA H 65 4.404 4.851 -0.447 1
1 618 . 4 1 1 A 56 56 TYR CA C 65 57.430 56.359 1.071 1
1 619 . 4 1 1 A 56 56 TYR CB C 65 42.958 41.766 1.192 1
1 622 . 4 1 1 A 56 56 TYR N N 65 116.435 119.859 -3.424 1
1 623 . 4 1 1 A 57 57 ASP H H 66 8.772 8.885 -0.113 1
1 624 . 4 1 1 A 57 57 ASP HA H 66 5.283 5.499 -0.216 1
1 627 . 4 1 1 A 57 57 ASP CA C 66 54.250 52.535 1.715 1
1 628 . 4 1 1 A 57 57 ASP CB C 66 40.914 42.102 -1.188 1
1 629 . 4 1 1 A 57 57 ASP N N 66 124.776 122.791 1.985 1
1 630 . 4 1 1 A 58 58 LEU H H 67 9.175 8.483 0.692 1
1 631 . 4 1 1 A 58 58 LEU HA H 67 4.589 4.688 -0.099 1
1 641 . 4 1 1 A 58 58 LEU CA C 67 53.131 53.572 -0.441 1
1 642 . 4 1 1 A 58 58 LEU CB C 67 45.060 45.288 -0.228 1
1 645 . 4 1 1 A 58 58 LEU N N 67 124.558 125.045 -0.487 1
1 646 . 4 1 1 A 59 59 TYR H H 68 8.877 8.443 0.434 1
1 647 . 4 1 1 A 59 59 TYR HA H 68 5.096 5.092 0.004 1
1 654 . 4 1 1 A 59 59 TYR CA C 68 57.606 58.452 -0.846 1
1 655 . 4 1 1 A 59 59 TYR CB C 68 39.422 39.696 -0.274 1
1 658 . 4 1 1 A 59 59 TYR N N 68 121.215 122.908 -1.693 1
1 659 . 4 1 1 A 60 60 ILE H H 69 9.162 8.904 0.258 1
1 660 . 4 1 1 A 60 60 ILE HA H 69 4.551 4.615 -0.064 1
1 670 . 4 1 1 A 60 60 ILE CA C 69 59.471 59.930 -0.459 1
1 671 . 4 1 1 A 60 60 ILE CB C 69 40.500 39.552 0.948 1
1 675 . 4 1 1 A 60 60 ILE N N 69 124.823 123.635 1.188 1
1 676 . 4 1 1 A 61 61 GLY H H 70 9.960 8.734 1.226 1
1 677 . 4 1 1 A 61 61 GLY HA2 H 70 4.517 4.093 0.424 1
1 678 . 4 1 1 A 61 61 GLY HA3 H 70 3.881 4.094 -0.213 1
1 679 . 4 1 1 A 61 61 GLY CA C 70 44.083 44.538 -0.455 1
1 680 . 4 1 1 A 61 61 GLY N N 70 117.841 114.800 3.041 1
1 681 . 4 1 1 A 62 62 LYS H H 71 8.605 8.827 -0.222 1
1 682 . 4 1 1 A 62 62 LYS HA H 71 4.090 3.891 0.199 1
1 687 . 4 1 1 A 62 62 LYS CA C 71 59.447 59.097 0.350 1
1 688 . 4 1 1 A 62 62 LYS CB C 71 33.453 32.477 0.976 1
1 692 . 4 1 1 A 62 62 LYS N N 71 119.434 120.361 -0.927 1
1 693 . 4 1 1 A 63 63 SER H H 72 8.544 7.917 0.627 1
1 694 . 4 1 1 A 63 63 SER HA H 72 4.811 4.679 0.132 1
1 696 . 4 1 1 A 63 63 SER CA C 72 57.606 56.808 0.798 1
1 697 . 4 1 1 A 63 63 SER CB C 72 64.013 63.846 0.167 1
1 698 . 4 1 1 A 63 63 SER N N 72 111.842 113.789 -1.947 1
1 699 . 4 1 1 A 64 64 ASP H H 73 7.247 8.259 -1.012 1
1 700 . 4 1 1 A 64 64 ASP HA H 73 4.867 5.488 -0.621 1
1 702 . 4 1 1 A 64 64 ASP CA C 73 55.500 53.050 2.450 1
1 703 . 4 1 1 A 64 64 ASP CB C 73 43.331 44.391 -1.060 1
1 704 . 4 1 1 A 64 64 ASP N N 73 121.964 125.514 -3.550 1
1 705 . 4 1 1 A 65 65 SER H H 74 8.742 8.865 -0.123 1
1 706 . 4 1 1 A 65 65 SER HA H 74 5.074 5.149 -0.075 1
1 708 . 4 1 1 A 65 65 SER CA C 74 56.301 57.024 -0.723 1
1 709 . 4 1 1 A 65 65 SER CB C 74 67.579 65.904 1.675 1
1 710 . 4 1 1 A 65 65 SER N N 74 111.936 116.941 -5.005 1
1 711 . 4 1 1 A 66 66 VAL H H 75 8.622 8.532 0.090 1
1 712 . 4 1 1 A 66 66 VAL HA H 75 5.095 4.952 0.143 1
1 720 . 4 1 1 A 66 66 VAL CA C 75 60.217 60.632 -0.415 1
1 721 . 4 1 1 A 66 66 VAL CB C 75 36.617 34.794 1.823 1
1 724 . 4 1 1 A 66 66 VAL N N 75 119.422 122.962 -3.540 1
1 725 . 4 1 1 A 67 67 THR H H 76 9.152 8.847 0.305 1
1 726 . 4 1 1 A 67 67 THR HA H 76 5.199 4.955 0.244 1
1 731 . 4 1 1 A 67 67 THR CA C 76 63.014 61.878 1.136 1
1 732 . 4 1 1 A 67 67 THR CB C 76 69.703 71.186 -1.483 1
1 734 . 4 1 1 A 67 67 THR N N 76 123.839 123.044 0.795 1
1 735 . 4 1 1 A 68 68 ILE H H 77 9.106 8.848 0.258 1
1 736 . 4 1 1 A 68 68 ILE HA H 77 5.389 4.700 0.689 1
1 746 . 4 1 1 A 68 68 ILE CA C 77 59.844 60.449 -0.605 1
1 747 . 4 1 1 A 68 68 ILE CB C 77 40.347 38.656 1.691 1
1 751 . 4 1 1 A 68 68 ILE N N 77 129.275 129.449 -0.174 1
1 752 . 4 1 1 A 69 69 SER H H 78 9.645 8.867 0.778 1
1 753 . 4 1 1 A 69 69 SER HA H 78 5.265 5.379 -0.114 1
1 756 . 4 1 1 A 69 69 SER CA C 78 56.114 55.607 0.507 1
1 757 . 4 1 1 A 69 69 SER CB C 78 66.087 66.461 -0.374 1
1 758 . 4 1 1 A 69 69 SER N N 78 120.559 121.091 -0.532 1
1 759 . 4 1 1 A 70 70 VAL H H 79 8.482 8.149 0.333 1
1 760 . 4 1 1 A 70 70 VAL HA H 79 4.676 4.787 -0.111 1
1 768 . 4 1 1 A 70 70 VAL CA C 79 60.852 60.765 0.087 1
1 769 . 4 1 1 A 70 70 VAL CB C 79 32.992 34.804 -1.812 1
1 772 . 4 1 1 A 70 70 VAL N N 79 121.777 120.095 1.682 1
1 773 . 4 1 1 A 71 71 TRP H H 80 8.627 8.504 0.123 1
1 774 . 4 1 1 A 71 71 TRP HA H 80 4.930 5.065 -0.135 1
1 783 . 4 1 1 A 71 71 TRP CA C 80 55.182 54.962 0.220 1
1 784 . 4 1 1 A 71 71 TRP CB C 80 34.058 32.947 1.111 1
1 790 . 4 1 1 A 71 71 TRP N N 80 124.474 126.377 -1.903 1
1 792 . 4 1 1 A 72 72 ASN H H 81 9.891 9.133 0.758 1
1 793 . 4 1 1 A 72 72 ASN HA H 81 4.789 5.000 -0.211 1
1 798 . 4 1 1 A 72 72 ASN CA C 81 51.049 52.163 -1.114 1
1 799 . 4 1 1 A 72 72 ASN CB C 81 39.091 38.330 0.761 1
1 800 . 4 1 1 A 72 72 ASN N N 81 116.435 121.910 -5.475 1
1 802 . 4 1 1 A 73 73 HIS H H 82 9.967 9.287 0.680 1
1 803 . 4 1 1 A 73 73 HIS HA H 82 4.499 4.385 0.114 1
1 806 . 4 1 1 A 73 73 HIS CA C 82 60.788 60.636 0.152 1
1 807 . 4 1 1 A 73 73 HIS CB C 82 32.327 30.722 1.605 1
1 808 . 4 1 1 A 73 73 HIS N N 82 127.963 126.398 1.565 1
1 809 . 4 1 1 A 74 74 LYS H H 83 7.764 8.176 -0.412 1
1 810 . 4 1 1 A 74 74 LYS HA H 83 4.297 3.823 0.474 1
1 817 . 4 1 1 A 74 74 LYS CA C 83 59.232 59.818 -0.586 1
1 818 . 4 1 1 A 74 74 LYS CB C 83 33.640 32.323 1.317 1
1 822 . 4 1 1 A 74 74 LYS N N 83 112.592 118.552 -5.960 1
1 823 . 4 1 1 A 75 75 LYS H H 84 7.626 7.798 -0.172 1
1 824 . 4 1 1 A 75 75 LYS HA H 84 4.607 4.211 0.396 1
1 832 . 4 1 1 A 75 75 LYS CA C 84 55.828 58.978 -3.150 1
1 833 . 4 1 1 A 75 75 LYS CB C 84 36.064 32.120 3.944 1
1 837 . 4 1 1 A 75 75 LYS N N 84 114.560 118.021 -3.461 1
1 838 . 4 1 1 A 76 76 ILE H H 85 7.021 8.146 -1.125 1
1 839 . 4 1 1 A 76 76 ILE HA H 85 4.132 4.000 0.132 1
1 849 . 4 1 1 A 76 76 ILE CA C 85 64.013 64.492 -0.479 1
1 850 . 4 1 1 A 76 76 ILE CB C 85 39.146 37.568 1.578 1
1 854 . 4 1 1 A 76 76 ILE N N 85 113.811 117.348 -3.537 1
1 855 . 4 1 1 A 77 77 HIS H H 86 8.335 7.638 0.697 1
1 856 . 4 1 1 A 77 77 HIS HA H 86 4.612 4.199 0.413 1
1 859 . 4 1 1 A 77 77 HIS CA C 86 56.815 58.975 -2.160 1
1 860 . 4 1 1 A 77 77 HIS CB C 86 30.461 29.911 0.550 1
1 862 . 4 1 1 A 77 77 HIS N N 86 117.841 123.068 -5.227 1
1 863 . 4 1 1 A 78 78 LYS H H 87 7.587 7.812 -0.225 1
1 864 . 4 1 1 A 78 78 LYS HA H 87 4.094 3.943 0.151 1
1 870 . 4 1 1 A 78 78 LYS CA C 87 57.628 58.853 -1.225 1
1 871 . 4 1 1 A 78 78 LYS CB C 87 32.893 33.371 -0.478 1
1 875 . 4 1 1 A 78 78 LYS N N 87 120.652 119.472 1.180 1
1 876 . 4 1 1 A 79 79 LYS H H 88 7.585 7.609 -0.024 1
1 877 . 4 1 1 A 79 79 LYS HA H 88 4.304 4.370 -0.066 1
1 883 . 4 1 1 A 79 79 LYS CA C 88 56.467 58.428 -1.961 1
1 884 . 4 1 1 A 79 79 LYS CB C 88 34.013 31.158 2.855 1
1 888 . 4 1 1 A 79 79 LYS N N 88 115.872 118.261 -2.389 1
1 889 . 4 1 1 A 80 80 GLN H H 89 8.625 8.772 -0.147 1
1 890 . 4 1 1 A 80 80 GLN HA H 89 4.192 4.056 0.136 1
1 893 . 4 1 1 A 80 80 GLN CA C 89 57.590 57.956 -0.366 1
1 894 . 4 1 1 A 80 80 GLN CB C 89 28.331 27.349 0.982 1
1 896 . 4 1 1 A 80 80 GLN N N 89 121.308 118.041 3.267 1
1 897 . 4 1 1 A 81 81 GLY H H 90 8.791 8.732 0.059 1
1 898 . 4 1 1 A 81 81 GLY HA2 H 90 4.332 3.898 0.434 1
1 899 . 4 1 1 A 81 81 GLY HA3 H 90 3.850 3.923 -0.073 1
1 900 . 4 1 1 A 81 81 GLY CA C 90 45.950 46.828 -0.878 1
1 901 . 4 1 1 A 81 81 GLY N N 90 112.984 111.053 1.931 1
1 902 . 4 1 1 A 82 82 ALA H H 91 7.951 7.686 0.265 1
1 903 . 4 1 1 A 82 82 ALA HA H 91 4.485 4.121 0.364 1
1 907 . 4 1 1 A 82 82 ALA CA C 91 53.404 53.917 -0.513 1
1 908 . 4 1 1 A 82 82 ALA CB C 91 20.762 18.449 2.313 1
1 909 . 4 1 1 A 82 82 ALA N N 91 123.745 123.009 0.736 1
1 910 . 4 1 1 A 83 83 GLY H H 92 8.860 8.894 -0.034 1
1 911 . 4 1 1 A 83 83 GLY HA2 H 92 4.270 4.227 0.043 1
1 912 . 4 1 1 A 83 83 GLY HA3 H 92 4.262 4.333 -0.071 1
1 913 . 4 1 1 A 83 83 GLY CA C 92 46.689 45.637 1.052 1
1 914 . 4 1 1 A 83 83 GLY N N 92 105.564 111.277 -5.713 1
1 915 . 4 1 1 A 84 84 PHE H H 93 8.113 8.028 0.085 1
1 916 . 4 1 1 A 84 84 PHE HA H 93 3.440 4.128 -0.688 1
1 924 . 4 1 1 A 84 84 PHE CA C 93 59.932 58.166 1.766 1
1 925 . 4 1 1 A 84 84 PHE CB C 93 39.141 39.581 -0.440 1
1 929 . 4 1 1 A 84 84 PHE N N 93 121.215 121.199 0.016 1
1 930 . 4 1 1 A 85 85 LEU H H 94 8.204 7.435 0.769 1
1 931 . 4 1 1 A 85 85 LEU HA H 94 4.334 4.194 0.140 1
1 938 . 4 1 1 A 85 85 LEU CA C 94 53.569 55.698 -2.129 1
1 939 . 4 1 1 A 85 85 LEU CB C 94 43.255 43.401 -0.146 1
1 942 . 4 1 1 A 85 85 LEU N N 94 125.432 125.659 -0.227 1
1 943 . 4 1 1 A 86 86 GLY HA2 H 95 4.222 3.684 0.538 1
1 944 . 4 1 1 A 86 86 GLY HA3 H 95 3.147 3.831 -0.684 1
1 945 . 4 1 1 A 86 86 GLY CA C 95 45.570 45.221 0.349 1
1 946 . 4 1 1 A 87 87 CYS H H 96 9.230 8.938 0.292 1
1 947 . 4 1 1 A 87 87 CYS HA H 96 5.838 5.355 0.483 1
1 949 . 4 1 1 A 87 87 CYS CA C 96 55.882 57.529 -1.647 1
1 950 . 4 1 1 A 87 87 CYS CB C 96 33.259 29.390 3.869 1
1 951 . 4 1 1 A 87 87 CYS N N 96 114.935 121.556 -6.621 1
1 952 . 4 1 1 A 88 88 VAL H H 97 9.242 9.099 0.143 1
1 953 . 4 1 1 A 88 88 VAL HA H 97 4.575 4.769 -0.194 1
1 961 . 4 1 1 A 88 88 VAL CA C 97 61.769 60.374 1.395 1
1 962 . 4 1 1 A 88 88 VAL CB C 97 35.684 33.667 2.017 1
1 965 . 4 1 1 A 88 88 VAL N N 97 115.966 124.742 -8.776 1
1 966 . 4 1 1 A 89 89 ARG H H 98 8.665 9.152 -0.487 1
1 967 . 4 1 1 A 89 89 ARG HA H 98 5.166 5.256 -0.090 1
1 973 . 4 1 1 A 89 89 ARG CA C 98 54.929 54.431 0.498 1
1 974 . 4 1 1 A 89 89 ARG CB C 98 31.961 33.737 -1.776 1
1 977 . 4 1 1 A 89 89 ARG N N 98 125.526 130.078 -4.552 1
1 978 . 4 1 1 A 90 90 LEU H H 99 9.611 8.652 0.959 1
1 979 . 4 1 1 A 90 90 LEU HA H 99 4.644 5.211 -0.567 1
1 989 . 4 1 1 A 90 90 LEU CA C 99 53.217 53.050 0.167 1
1 990 . 4 1 1 A 90 90 LEU CB C 99 43.339 45.461 -2.122 1
1 994 . 4 1 1 A 90 90 LEU N N 99 127.119 126.996 0.123 1
1 995 . 4 1 1 A 91 91 LEU H H 100 7.953 8.594 -0.641 1
1 996 . 4 1 1 A 91 91 LEU HA H 100 4.540 4.676 -0.136 1
1 1005 . 4 1 1 A 91 91 LEU CA C 100 54.523 54.023 0.500 1
1 1006 . 4 1 1 A 91 91 LEU CB C 100 42.593 42.492 0.101 1
1 1010 . 4 1 1 A 91 91 LEU N N 100 122.527 124.699 -2.172 1
1 1011 . 4 1 1 A 92 92 SER H H 101 8.754 8.844 -0.090 1
1 1012 . 4 1 1 A 92 92 SER HA H 101 3.950 4.159 -0.209 1
1 1013 . 4 1 1 A 92 92 SER CA C 101 63.171 61.709 1.462 1
1 1014 . 4 1 1 A 92 92 SER N N 101 115.966 116.175 -0.209 1
1 1015 . 4 1 1 A 93 93 ASN H H 102 7.765 8.578 -0.813 1
1 1016 . 4 1 1 A 93 93 ASN HA H 102 4.500 4.474 0.026 1
1 1020 . 4 1 1 A 93 93 ASN CA C 102 56.487 56.169 0.318 1
1 1021 . 4 1 1 A 93 93 ASN CB C 102 37.514 37.632 -0.118 1
1 1022 . 4 1 1 A 93 93 ASN N N 102 116.950 119.234 -2.284 1
1 1024 . 4 1 1 A 94 94 ALA H H 103 7.345 7.634 -0.289 1
1 1025 . 4 1 1 A 94 94 ALA HA H 103 4.230 4.111 0.119 1
1 1029 . 4 1 1 A 94 94 ALA CA C 103 54.843 55.057 -0.214 1
1 1030 . 4 1 1 A 94 94 ALA CB C 103 19.643 18.622 1.021 1
1 1031 . 4 1 1 A 94 94 ALA N N 103 124.495 122.147 2.348 1
1 1032 . 4 1 1 A 95 95 ILE H H 104 8.322 8.031 0.291 1
1 1033 . 4 1 1 A 95 95 ILE HA H 104 3.280 3.577 -0.297 1
1 1043 . 4 1 1 A 95 95 ILE CA C 104 66.184 65.012 1.172 1
1 1044 . 4 1 1 A 95 95 ILE CB C 104 37.922 37.530 0.392 1
1 1048 . 4 1 1 A 95 95 ILE N N 104 119.310 119.665 -0.355 1
1 1049 . 4 1 1 A 96 96 ASN H H 105 7.815 8.181 -0.366 1
1 1050 . 4 1 1 A 96 96 ASN HA H 105 4.332 4.403 -0.071 1
1 1052 . 4 1 1 A 96 96 ASN CA C 105 56.487 56.413 0.074 1
1 1053 . 4 1 1 A 96 96 ASN CB C 105 38.855 38.837 0.018 1
1 1054 . 4 1 1 A 96 96 ASN N N 105 114.748 120.398 -5.650 1
1 1055 . 4 1 1 A 97 97 ARG H H 106 7.595 7.805 -0.210 1
1 1056 . 4 1 1 A 97 97 ARG HA H 106 4.257 3.995 0.262 1
1 1061 . 4 1 1 A 97 97 ARG CA C 106 58.294 58.909 -0.615 1
1 1062 . 4 1 1 A 97 97 ARG CB C 106 31.401 29.688 1.713 1
1 1065 . 4 1 1 A 97 97 ARG N N 106 117.934 118.416 -0.482 1
1 1066 . 4 1 1 A 98 98 LEU H H 107 8.179 8.180 -0.001 1
1 1067 . 4 1 1 A 98 98 LEU HA H 107 4.288 4.515 -0.227 1
1 1077 . 4 1 1 A 98 98 LEU CA C 107 55.735 56.901 -1.166 1
1 1078 . 4 1 1 A 98 98 LEU CB C 107 44.264 41.481 2.783 1
1 1082 . 4 1 1 A 98 98 LEU N N 107 116.341 119.190 -2.849 1
1 1083 . 4 1 1 A 99 99 LYS H H 108 8.058 8.560 -0.502 1
1 1084 . 4 1 1 A 99 99 LYS HA H 108 4.078 4.062 0.016 1
1 1091 . 4 1 1 A 99 99 LYS CA C 108 58.256 58.868 -0.612 1
1 1092 . 4 1 1 A 99 99 LYS CB C 108 32.520 31.942 0.578 1
1 1096 . 4 1 1 A 99 99 LYS N N 108 123.558 117.968 5.590 1
1 1097 . 4 1 1 A 100 100 ASP H H 109 9.305 7.816 1.489 1
1 1098 . 4 1 1 A 100 100 ASP HA H 109 4.672 4.547 0.125 1
1 1101 . 4 1 1 A 100 100 ASP CA C 109 57.047 56.103 0.944 1
1 1102 . 4 1 1 A 100 100 ASP CB C 109 39.041 41.253 -2.212 1
1 1103 . 4 1 1 A 100 100 ASP N N 109 115.779 119.188 -3.409 1
1 1104 . 4 1 1 A 101 101 THR H H 110 7.546 7.575 -0.029 1
1 1105 . 4 1 1 A 101 101 THR HA H 110 4.675 4.165 0.510 1
1 1110 . 4 1 1 A 101 101 THR CA C 110 61.895 63.852 -1.957 1
1 1111 . 4 1 1 A 101 101 THR CB C 110 70.432 69.891 0.541 1
1 1113 . 4 1 1 A 101 101 THR N N 110 129.087 110.673 18.414 1
1 1114 . 4 1 1 A 102 102 GLY H H 111 8.921 8.438 0.483 1
1 1115 . 4 1 1 A 102 102 GLY HA2 H 111 4.337 3.675 0.662 1
1 1116 . 4 1 1 A 102 102 GLY HA3 H 111 3.563 3.695 -0.132 1
1 1117 . 4 1 1 A 102 102 GLY CA C 111 44.062 45.439 -1.377 1
1 1118 . 4 1 1 A 102 102 GLY N N 111 112.780 111.405 1.375 1
1 1119 . 4 1 1 A 103 103 TYR H H 112 8.255 7.477 0.778 1
1 1120 . 4 1 1 A 103 103 TYR HA H 112 4.574 5.355 -0.781 1
1 1127 . 4 1 1 A 103 103 TYR CA C 112 59.745 56.430 3.315 1
1 1128 . 4 1 1 A 103 103 TYR CB C 112 38.295 42.732 -4.437 1
1 1131 . 4 1 1 A 103 103 TYR N N 112 117.653 118.214 -0.561 1
1 1132 . 4 1 1 A 104 104 GLN H H 113 9.435 9.198 0.237 1
1 1133 . 4 1 1 A 104 104 GLN HA H 113 4.659 4.964 -0.305 1
1 1140 . 4 1 1 A 104 104 GLN CA C 113 53.852 54.803 -0.951 1
1 1141 . 4 1 1 A 104 104 GLN CB C 113 31.128 32.077 -0.949 1
1 1143 . 4 1 1 A 104 104 GLN N N 113 121.964 121.350 0.614 1
1 1145 . 4 1 1 A 105 105 ARG H H 114 8.670 8.925 -0.255 1
1 1146 . 4 1 1 A 105 105 ARG HA H 114 4.838 4.839 -0.001 1
1 1151 . 4 1 1 A 105 105 ARG CA C 114 55.090 55.453 -0.363 1
1 1152 . 4 1 1 A 105 105 ARG CB C 114 31.401 30.489 0.912 1
1 1155 . 4 1 1 A 105 105 ARG N N 114 122.246 124.569 -2.323 1
1 1156 . 4 1 1 A 106 106 LEU H H 115 9.269 8.656 0.613 1
1 1157 . 4 1 1 A 106 106 LEU HA H 115 4.843 4.824 0.019 1
1 1163 . 4 1 1 A 106 106 LEU CA C 115 53.317 53.595 -0.278 1
1 1164 . 4 1 1 A 106 106 LEU CB C 115 44.570 43.672 0.898 1
1 1166 . 4 1 1 A 106 106 LEU N N 115 126.088 126.118 -0.030 1
1 1167 . 4 1 1 A 107 107 ASP H H 116 8.582 8.730 -0.148 1
1 1168 . 4 1 1 A 107 107 ASP HA H 116 4.748 4.598 0.150 1
1 1171 . 4 1 1 A 107 107 ASP CA C 116 55.402 54.597 0.805 1
1 1172 . 4 1 1 A 107 107 ASP CB C 116 41.280 41.479 -0.199 1
1 1173 . 4 1 1 A 107 107 ASP N N 116 122.714 125.160 -2.446 1
1 1174 . 4 1 1 A 108 108 LEU H H 117 8.067 8.552 -0.485 1
1 1175 . 4 1 1 A 108 108 LEU HA H 117 4.195 4.622 -0.427 1
1 1185 . 4 1 1 A 108 108 LEU CA C 117 55.308 54.397 0.911 1
1 1186 . 4 1 1 A 108 108 LEU CB C 117 42.871 42.544 0.327 1
1 1190 . 4 1 1 A 108 108 LEU N N 117 121.121 124.009 -2.888 1
1 1191 . 4 1 1 A 109 109 CYS H H 118 9.705 8.800 0.905 1
1 1192 . 4 1 1 A 109 109 CYS HA H 118 4.839 4.986 -0.147 1
1 1195 . 4 1 1 A 109 109 CYS CA C 118 57.979 57.105 0.874 1
1 1196 . 4 1 1 A 109 109 CYS CB C 118 31.953 31.258 0.695 1
1 1197 . 4 1 1 A 109 109 CYS N N 118 118.403 121.488 -3.085 1
1 1198 . 4 1 1 A 110 110 LYS H H 119 8.419 8.348 0.071 1
1 1199 . 4 1 1 A 110 110 LYS HA H 119 4.426 4.575 -0.149 1
1 1207 . 4 1 1 A 110 110 LYS CA C 119 56.957 56.670 0.287 1
1 1208 . 4 1 1 A 110 110 LYS CB C 119 34.386 32.989 1.397 1
1 1212 . 4 1 1 A 110 110 LYS N N 119 120.090 119.563 0.527 1
1 1213 . 4 1 1 A 111 111 LEU H H 120 9.016 8.431 0.585 1
1 1214 . 4 1 1 A 111 111 LEU HA H 120 4.054 3.916 0.138 1
1 1223 . 4 1 1 A 111 111 LEU CA C 120 57.694 57.653 0.041 1
1 1224 . 4 1 1 A 111 111 LEU CB C 120 43.062 41.270 1.792 1
1 1227 . 4 1 1 A 111 111 LEU N N 120 123.089 121.244 1.845 1
1 1228 . 4 1 1 A 112 112 GLY H H 121 7.578 7.839 -0.261 1
1 1229 . 4 1 1 A 112 112 GLY HA2 H 121 4.320 4.043 0.277 1
1 1230 . 4 1 1 A 112 112 GLY HA3 H 121 3.863 4.045 -0.182 1
1 1231 . 4 1 1 A 112 112 GLY CA C 121 44.644 44.177 0.467 1
1 1232 . 4 1 1 A 112 112 GLY N N 121 105.939 107.649 -1.710 1
1 1233 . 4 1 1 A 113 113 PRO HA H 122 4.365 4.350 0.015 1
1 1240 . 4 1 1 A 113 113 PRO CA C 122 64.692 65.107 -0.415 1
1 1241 . 4 1 1 A 113 113 PRO CB C 122 32.663 31.492 1.171 1
1 1244 . 4 1 1 A 114 114 ASN H H 123 8.603 8.557 0.046 1
1 1245 . 4 1 1 A 114 114 ASN HA H 123 4.899 4.750 0.149 1
1 1250 . 4 1 1 A 114 114 ASN CA C 123 52.944 52.539 0.405 1
1 1251 . 4 1 1 A 114 114 ASN CB C 123 39.041 38.189 0.852 1
1 1252 . 4 1 1 A 114 114 ASN N N 123 115.591 114.713 0.878 1
1 1254 . 4 1 1 A 115 115 ASP H H 124 7.507 7.940 -0.433 1
1 1255 . 4 1 1 A 115 115 ASP HA H 124 4.507 4.242 0.265 1
1 1258 . 4 1 1 A 115 115 ASP CA C 124 54.843 57.267 -2.424 1
1 1259 . 4 1 1 A 115 115 ASP CB C 124 41.620 40.877 0.743 1
1 1260 . 4 1 1 A 115 115 ASP N N 124 121.215 121.034 0.181 1
1 1261 . 4 1 1 A 116 116 ASN H H 125 8.741 8.134 0.607 1
1 1262 . 4 1 1 A 116 116 ASN HA H 125 4.823 4.401 0.422 1
1 1267 . 4 1 1 A 116 116 ASN CA C 125 53.447 53.980 -0.533 1
1 1268 . 4 1 1 A 116 116 ASN CB C 125 43.830 36.951 6.879 1
1 1269 . 4 1 1 A 116 116 ASN N N 125 120.137 116.704 3.433 1
1 1271 . 4 1 1 A 117 117 ASP H H 126 8.039 8.287 -0.248 1
1 1272 . 4 1 1 A 117 117 ASP HA H 126 4.745 5.007 -0.262 1
1 1274 . 4 1 1 A 117 117 ASP CA C 126 54.436 52.624 1.812 1
1 1275 . 4 1 1 A 117 117 ASP CB C 126 42.046 43.998 -1.952 1
1 1276 . 4 1 1 A 117 117 ASP N N 126 120.746 120.080 0.666 1
1 1277 . 4 1 1 A 118 118 THR H H 127 8.361 8.799 -0.438 1
1 1278 . 4 1 1 A 118 118 THR HA H 127 4.331 4.052 0.279 1
1 1283 . 4 1 1 A 118 118 THR CA C 127 62.454 63.108 -0.654 1
1 1284 . 4 1 1 A 118 118 THR CB C 127 70.191 66.686 3.505 1
1 1286 . 4 1 1 A 118 118 THR N N 127 116.903 117.653 -0.750 1
1 1287 . 4 1 1 A 119 119 VAL H H 128 8.152 7.460 0.692 1
1 1288 . 4 1 1 A 119 119 VAL HA H 128 4.172 5.037 -0.865 1
1 1296 . 4 1 1 A 119 119 VAL CA C 128 61.051 58.572 2.479 1
1 1297 . 4 1 1 A 119 119 VAL CB C 128 35.124 36.469 -1.345 1
1 1300 . 4 1 1 A 119 119 VAL N N 128 119.903 116.973 2.930 1
1 1301 . 4 1 1 A 120 120 ARG H H 129 7.884 8.663 -0.779 1
1 1302 . 4 1 1 A 120 120 ARG HA H 129 4.719 4.783 -0.064 1
1 1307 . 4 1 1 A 120 120 ARG CA C 129 55.555 55.959 -0.404 1
1 1308 . 4 1 1 A 120 120 ARG CB C 129 34.945 31.769 3.176 1
1 1311 . 4 1 1 A 120 120 ARG N N 129 122.621 122.771 -0.150 1
1 1312 . 4 1 1 A 121 121 GLY H H 130 8.289 8.076 0.213 1
1 1313 . 4 1 1 A 121 121 GLY HA2 H 130 4.605 4.207 0.398 1
1 1314 . 4 1 1 A 121 121 GLY HA3 H 130 3.803 4.218 -0.415 1
1 1315 . 4 1 1 A 121 121 GLY CA C 130 45.756 45.784 -0.028 1
1 1316 . 4 1 1 A 121 121 GLY N N 130 107.626 112.596 -4.970 1
1 1317 . 4 1 1 A 122 122 GLN H H 131 8.408 8.812 -0.404 1
1 1318 . 4 1 1 A 122 122 GLN HA H 131 5.434 5.253 0.181 1
1 1323 . 4 1 1 A 122 122 GLN CA C 131 54.809 54.136 0.673 1
1 1324 . 4 1 1 A 122 122 GLN CB C 131 34.756 33.408 1.348 1
1 1326 . 4 1 1 A 122 122 GLN N N 131 114.654 118.236 -3.582 1
1 1328 . 4 1 1 A 123 123 ILE H H 132 9.273 8.459 0.814 1
1 1329 . 4 1 1 A 123 123 ILE HA H 132 5.207 4.715 0.492 1
1 1339 . 4 1 1 A 123 123 ILE CA C 132 59.284 59.843 -0.559 1
1 1340 . 4 1 1 A 123 123 ILE CB C 132 44.085 41.503 2.582 1
1 1344 . 4 1 1 A 123 123 ILE N N 132 118.216 121.448 -3.232 1
1 1345 . 4 1 1 A 124 124 VAL H H 133 8.750 9.184 -0.434 1
1 1346 . 4 1 1 A 124 124 VAL HA H 133 5.338 4.724 0.614 1
1 1354 . 4 1 1 A 124 124 VAL CA C 133 61.611 61.324 0.287 1
1 1355 . 4 1 1 A 124 124 VAL CB C 133 32.620 32.715 -0.095 1
1 1358 . 4 1 1 A 124 124 VAL N N 133 126.088 128.628 -2.540 1
1 1359 . 4 1 1 A 125 125 VAL H H 134 8.698 9.178 -0.480 1
1 1360 . 4 1 1 A 125 125 VAL HA H 134 5.859 5.453 0.406 1
1 1368 . 4 1 1 A 125 125 VAL CA C 134 57.880 59.742 -1.862 1
1 1369 . 4 1 1 A 125 125 VAL CB C 134 36.990 35.472 1.518 1
1 1372 . 4 1 1 A 125 125 VAL N N 134 117.895 121.708 -3.813 1
1 1373 . 4 1 1 A 126 126 SER H H 135 8.746 8.866 -0.120 1
1 1374 . 4 1 1 A 126 126 SER HA H 135 4.881 5.323 -0.442 1
1 1377 . 4 1 1 A 126 126 SER CA C 135 56.860 57.065 -0.205 1
1 1378 . 4 1 1 A 126 126 SER CB C 135 66.695 66.016 0.679 1
1 1379 . 4 1 1 A 126 126 SER N N 135 112.967 114.678 -1.711 1
1 1380 . 4 1 1 A 127 127 LEU H H 136 9.710 8.981 0.729 1
1 1381 . 4 1 1 A 127 127 LEU HA H 136 5.244 5.004 0.240 1
1 1390 . 4 1 1 A 127 127 LEU CA C 136 54.436 53.558 0.878 1
1 1391 . 4 1 1 A 127 127 LEU CB C 136 46.137 42.355 3.782 1
1 1395 . 4 1 1 A 127 127 LEU N N 136 125.760 126.695 -0.935 1
1 1396 . 4 1 1 A 128 128 GLN H H 137 9.256 8.309 0.947 1
1 1397 . 4 1 1 A 128 128 GLN HA H 137 5.128 5.677 -0.549 1
1 1404 . 4 1 1 A 128 128 GLN CA C 137 54.063 54.413 -0.350 1
1 1405 . 4 1 1 A 128 128 GLN CB C 137 34.063 32.546 1.517 1
1 1407 . 4 1 1 A 128 128 GLN N N 137 125.526 125.790 -0.264 1
1 1409 . 4 1 1 A 129 129 SER H H 138 8.222 8.618 -0.396 1
1 1410 . 4 1 1 A 129 129 SER HA H 138 4.476 4.386 0.090 1
1 1413 . 4 1 1 A 129 129 SER CA C 138 60.814 58.648 2.166 1
1 1414 . 4 1 1 A 129 129 SER CB C 138 63.116 63.422 -0.306 1
1 1415 . 4 1 1 A 129 129 SER N N 138 125.620 119.364 6.256 1
1 1416 . 4 1 1 A 130 130 ARG H H 139 8.032 8.353 -0.321 1
1 1417 . 4 1 1 A 130 130 ARG HA H 139 4.601 4.186 0.415 1
1 1424 . 4 1 1 A 130 130 ARG CA C 139 53.934 56.069 -2.135 1
1 1425 . 4 1 1 A 130 130 ARG CB C 139 32.334 30.662 1.672 1
1 1428 . 4 1 1 A 130 130 ARG N N 139 123.136 123.276 -0.140 1
1 6 . 5 1 1 A 2 2 PRO HA H 11 4.498 4.915 -0.417 1
1 11 . 5 1 1 A 2 2 PRO CA C 11 63.103 62.844 0.259 1
1 12 . 5 1 1 A 2 2 PRO CB C 11 32.993 32.956 0.037 1
1 15 . 5 1 1 A 3 3 VAL H H 12 8.356 8.279 0.077 1
1 16 . 5 1 1 A 3 3 VAL HA H 12 4.370 4.834 -0.464 1
1 24 . 5 1 1 A 3 3 VAL CA C 12 60.982 59.491 1.491 1
1 25 . 5 1 1 A 3 3 VAL CB C 12 34.005 34.433 -0.428 1
1 28 . 5 1 1 A 3 3 VAL N N 12 119.528 115.304 4.224 1
1 29 . 5 1 1 A 4 4 LYS H H 13 8.542 8.965 -0.423 1
1 30 . 5 1 1 A 4 4 LYS HA H 13 4.752 4.642 0.110 1
1 38 . 5 1 1 A 4 4 LYS CA C 13 55.339 55.685 -0.346 1
1 39 . 5 1 1 A 4 4 LYS CB C 13 33.640 33.621 0.019 1
1 43 . 5 1 1 A 4 4 LYS N N 13 125.901 124.842 1.059 1
1 44 . 5 1 1 A 5 5 LEU H H 14 8.887 9.030 -0.143 1
1 45 . 5 1 1 A 5 5 LEU HA H 14 4.927 5.206 -0.279 1
1 51 . 5 1 1 A 5 5 LEU CA C 14 52.944 53.357 -0.413 1
1 52 . 5 1 1 A 5 5 LEU CB C 14 47.069 45.387 1.682 1
1 54 . 5 1 1 A 5 5 LEU N N 14 126.276 129.075 -2.799 1
1 55 . 5 1 1 A 6 6 ARG H H 15 9.361 8.654 0.707 1
1 56 . 5 1 1 A 6 6 ARG HA H 15 5.205 5.459 -0.254 1
1 61 . 5 1 1 A 6 6 ARG CA C 15 55.064 54.958 0.106 1
1 62 . 5 1 1 A 6 6 ARG CB C 15 31.979 31.847 0.132 1
1 64 . 5 1 1 A 6 6 ARG N N 15 123.745 126.200 -2.455 1
1 65 . 5 1 1 A 7 7 LEU H H 16 9.694 8.834 0.860 1
1 66 . 5 1 1 A 7 7 LEU HA H 16 5.437 5.006 0.431 1
1 73 . 5 1 1 A 7 7 LEU CA C 16 53.777 53.466 0.311 1
1 74 . 5 1 1 A 7 7 LEU CB C 16 45.577 44.240 1.337 1
1 77 . 5 1 1 A 7 7 LEU N N 16 111.467 126.143 -14.676 1
1 78 . 5 1 1 A 8 8 THR H H 17 9.470 9.055 0.415 1
1 79 . 5 1 1 A 8 8 THR HA H 17 4.904 4.825 0.079 1
1 84 . 5 1 1 A 8 8 THR CA C 17 62.827 62.280 0.547 1
1 85 . 5 1 1 A 8 8 THR CB C 17 69.540 69.164 0.376 1
1 87 . 5 1 1 A 8 8 THR N N 17 124.589 123.596 0.993 1
1 88 . 5 1 1 A 9 9 VAL H H 18 9.339 8.919 0.420 1
1 89 . 5 1 1 A 9 9 VAL HA H 18 4.374 4.140 0.234 1
1 97 . 5 1 1 A 9 9 VAL CA C 18 61.708 62.832 -1.124 1
1 98 . 5 1 1 A 9 9 VAL CB C 18 31.021 30.585 0.436 1
1 101 . 5 1 1 A 9 9 VAL N N 18 127.963 127.858 0.105 1
1 102 . 5 1 1 A 10 10 LEU H H 19 8.957 8.386 0.571 1
1 103 . 5 1 1 A 10 10 LEU HA H 19 4.334 4.240 0.094 1
1 113 . 5 1 1 A 10 10 LEU CA C 19 59.232 57.846 1.386 1
1 114 . 5 1 1 A 10 10 LEU CB C 19 43.525 42.681 0.844 1
1 118 . 5 1 1 A 10 10 LEU N N 19 127.775 129.380 -1.605 1
1 119 . 5 1 1 A 11 11 CYS H H 20 8.038 7.515 0.523 1
1 120 . 5 1 1 A 11 11 CYS HA H 20 5.152 4.646 0.506 1
1 123 . 5 1 1 A 11 11 CYS CA C 20 55.928 57.177 -1.249 1
1 124 . 5 1 1 A 11 11 CYS CB C 20 30.655 30.193 0.462 1
1 125 . 5 1 1 A 11 11 CYS N N 20 109.968 113.010 -3.042 1
1 126 . 5 1 1 A 12 12 ALA H H 21 8.485 8.549 -0.064 1
1 127 . 5 1 1 A 12 12 ALA HA H 21 5.397 5.275 0.122 1
1 131 . 5 1 1 A 12 12 ALA CA C 21 50.707 50.662 0.045 1
1 132 . 5 1 1 A 12 12 ALA CB C 21 22.550 23.222 -0.672 1
1 133 . 5 1 1 A 12 12 ALA N N 21 119.247 123.437 -4.190 1
1 134 . 5 1 1 A 13 13 LYS H H 22 8.905 8.768 0.137 1
1 135 . 5 1 1 A 13 13 LYS HA H 22 5.144 4.705 0.439 1
1 141 . 5 1 1 A 13 13 LYS CA C 22 54.063 54.700 -0.637 1
1 142 . 5 1 1 A 13 13 LYS CB C 22 37.217 35.713 1.504 1
1 146 . 5 1 1 A 13 13 LYS N N 22 117.934 119.983 -2.049 1
1 147 . 5 1 1 A 14 14 ASN H H 23 9.099 9.019 0.080 1
1 148 . 5 1 1 A 14 14 ASN HA H 23 4.187 4.319 -0.132 1
1 153 . 5 1 1 A 14 14 ASN CA C 23 53.735 53.865 -0.130 1
1 154 . 5 1 1 A 14 14 ASN CB C 23 37.736 36.953 0.783 1
1 155 . 5 1 1 A 14 14 ASN N N 23 118.684 120.114 -1.430 1
1 157 . 5 1 1 A 15 15 LEU H H 24 8.294 8.108 0.186 1
1 158 . 5 1 1 A 15 15 LEU HA H 24 5.161 4.416 0.745 1
1 165 . 5 1 1 A 15 15 LEU CA C 24 55.261 54.826 0.435 1
1 166 . 5 1 1 A 15 15 LEU CB C 24 42.966 42.802 0.164 1
1 169 . 5 1 1 A 15 15 LEU N N 24 114.373 122.845 -8.472 1
1 170 . 5 1 1 A 16 16 VAL H H 25 8.533 8.499 0.034 1
1 171 . 5 1 1 A 16 16 VAL HA H 25 3.635 4.120 -0.485 1
1 179 . 5 1 1 A 16 16 VAL CA C 25 62.318 63.136 -0.818 1
1 180 . 5 1 1 A 16 16 VAL CB C 25 33.064 32.309 0.755 1
1 183 . 5 1 1 A 16 16 VAL N N 25 119.200 125.637 -6.437 1
1 184 . 5 1 1 A 17 17 LYS H H 26 7.950 8.353 -0.403 1
1 185 . 5 1 1 A 17 17 LYS HA H 26 4.302 4.231 0.071 1
1 192 . 5 1 1 A 17 17 LYS CA C 26 54.150 57.045 -2.895 1
1 193 . 5 1 1 A 17 17 LYS CB C 26 33.826 31.762 2.064 1
1 197 . 5 1 1 A 17 17 LYS N N 26 128.056 125.687 2.369 1
1 198 . 5 1 1 A 18 18 LYS H H 27 8.549 7.963 0.586 1
1 199 . 5 1 1 A 18 18 LYS HA H 27 4.078 3.949 0.129 1
1 207 . 5 1 1 A 18 18 LYS CA C 27 58.626 58.694 -0.068 1
1 208 . 5 1 1 A 18 18 LYS CB C 27 33.826 31.103 2.723 1
1 211 . 5 1 1 A 18 18 LYS N N 27 125.760 114.205 11.555 1
1 212 . 5 1 1 A 19 19 ASP H H 28 8.438 8.570 -0.132 1
1 213 . 5 1 1 A 19 19 ASP HA H 28 4.801 4.978 -0.177 1
1 216 . 5 1 1 A 19 19 ASP CA C 28 52.964 54.152 -1.188 1
1 217 . 5 1 1 A 19 19 ASP CB C 28 43.518 41.785 1.733 1
1 218 . 5 1 1 A 19 19 ASP N N 28 119.247 119.489 -0.242 1
1 219 . 5 1 1 A 20 20 PHE H H 29 8.506 9.212 -0.706 1
1 220 . 5 1 1 A 20 20 PHE HA H 29 4.049 4.068 -0.019 1
1 227 . 5 1 1 A 20 20 PHE CA C 29 60.767 62.089 -1.322 1
1 228 . 5 1 1 A 20 20 PHE CB C 29 39.305 40.002 -0.697 1
1 231 . 5 1 1 A 20 20 PHE N N 29 122.011 125.038 -3.027 1
1 232 . 5 1 1 A 21 21 PHE H H 30 8.350 8.189 0.161 1
1 233 . 5 1 1 A 21 21 PHE HA H 30 4.677 4.334 0.343 1
1 240 . 5 1 1 A 21 21 PHE CA C 30 57.789 60.039 -2.250 1
1 241 . 5 1 1 A 21 21 PHE CB C 30 40.824 39.378 1.446 1
1 244 . 5 1 1 A 21 21 PHE N N 30 113.764 119.641 -5.877 1
1 245 . 5 1 1 A 22 22 ARG H H 31 7.631 7.782 -0.151 1
1 246 . 5 1 1 A 22 22 ARG HA H 31 4.614 4.862 -0.248 1
1 252 . 5 1 1 A 22 22 ARG CA C 31 55.325 54.314 1.011 1
1 253 . 5 1 1 A 22 22 ARG CB C 31 33.640 33.945 -0.305 1
1 256 . 5 1 1 A 22 22 ARG N N 31 118.778 118.125 0.653 1
1 257 . 5 1 1 A 23 23 LEU H H 32 8.699 8.719 -0.020 1
1 258 . 5 1 1 A 23 23 LEU HA H 32 4.509 4.832 -0.323 1
1 268 . 5 1 1 A 23 23 LEU CA C 32 52.758 51.114 1.644 1
1 269 . 5 1 1 A 23 23 LEU CB C 32 42.593 46.024 -3.431 1
1 273 . 5 1 1 A 23 23 LEU N N 32 123.464 121.490 1.974 1
1 274 . 5 1 1 A 24 24 PRO HA H 33 4.648 4.808 -0.160 1
1 281 . 5 1 1 A 24 24 PRO CA C 33 62.753 62.122 0.631 1
1 282 . 5 1 1 A 24 24 PRO CB C 33 33.965 32.787 1.178 1
1 285 . 5 1 1 A 25 25 ASP H H 34 7.463 8.512 -1.049 1
1 286 . 5 1 1 A 25 25 ASP HA H 34 6.052 5.886 0.166 1
1 289 . 5 1 1 A 25 25 ASP CA C 34 51.080 51.708 -0.628 1
1 290 . 5 1 1 A 25 25 ASP CB C 34 42.779 41.781 0.998 1
1 291 . 5 1 1 A 25 25 ASP N N 34 117.091 121.244 -4.153 1
1 292 . 5 1 1 A 26 26 PRO HA H 35 5.968 5.076 0.892 1
1 299 . 5 1 1 A 26 26 PRO CA C 35 62.827 62.900 -0.073 1
1 300 . 5 1 1 A 26 26 PRO CB C 35 35.132 32.873 2.259 1
1 303 . 5 1 1 A 27 27 PHE H H 36 9.284 8.727 0.557 1
1 304 . 5 1 1 A 27 27 PHE HA H 36 5.009 5.189 -0.180 1
1 312 . 5 1 1 A 27 27 PHE CA C 36 56.301 56.108 0.193 1
1 313 . 5 1 1 A 27 27 PHE CB C 36 42.689 41.472 1.217 1
1 317 . 5 1 1 A 27 27 PHE N N 36 120.090 118.724 1.366 1
1 318 . 5 1 1 A 28 28 ALA H H 37 8.408 8.466 -0.058 1
1 319 . 5 1 1 A 28 28 ALA HA H 37 5.481 5.141 0.340 1
1 323 . 5 1 1 A 28 28 ALA CA C 37 49.186 49.613 -0.427 1
1 324 . 5 1 1 A 28 28 ALA CB C 37 20.389 22.546 -2.157 1
1 325 . 5 1 1 A 28 28 ALA N N 37 122.433 122.183 0.250 1
1 326 . 5 1 1 A 29 29 LYS H H 38 9.617 8.698 0.919 1
1 327 . 5 1 1 A 29 29 LYS HA H 38 5.267 5.349 -0.082 1
1 335 . 5 1 1 A 29 29 LYS CA C 38 54.901 55.209 -0.308 1
1 336 . 5 1 1 A 29 29 LYS CB C 38 36.624 36.057 0.567 1
1 340 . 5 1 1 A 29 29 LYS N N 38 121.964 121.415 0.549 1
1 341 . 5 1 1 A 30 30 VAL H H 39 9.159 8.538 0.621 1
1 342 . 5 1 1 A 30 30 VAL HA H 39 4.494 4.762 -0.268 1
1 350 . 5 1 1 A 30 30 VAL CA C 39 61.335 60.863 0.472 1
1 351 . 5 1 1 A 30 30 VAL CB C 39 34.954 33.477 1.477 1
1 354 . 5 1 1 A 30 30 VAL N N 39 124.497 126.306 -1.809 1
1 355 . 5 1 1 A 31 31 VAL H H 40 8.659 8.918 -0.259 1
1 356 . 5 1 1 A 31 31 VAL HA H 40 5.091 4.851 0.240 1
1 364 . 5 1 1 A 31 31 VAL CA C 40 59.898 59.255 0.643 1
1 365 . 5 1 1 A 31 31 VAL CB C 40 36.959 35.645 1.314 1
1 368 . 5 1 1 A 31 31 VAL N N 40 124.589 122.421 2.168 1
1 369 . 5 1 1 A 32 32 VAL H H 41 7.786 8.828 -1.042 1
1 370 . 5 1 1 A 32 32 VAL HA H 41 4.660 4.582 0.078 1
1 378 . 5 1 1 A 32 32 VAL CA C 41 62.268 61.152 1.116 1
1 379 . 5 1 1 A 32 32 VAL CB C 41 30.995 32.198 -1.203 1
1 382 . 5 1 1 A 32 32 VAL N N 41 125.385 124.547 0.838 1
1 383 . 5 1 1 A 33 33 ASP H H 42 8.568 8.670 -0.102 1
1 384 . 5 1 1 A 33 33 ASP HA H 42 4.310 4.689 -0.379 1
1 386 . 5 1 1 A 33 33 ASP CA C 42 57.321 54.767 2.554 1
1 387 . 5 1 1 A 33 33 ASP CB C 42 40.727 39.709 1.018 1
1 388 . 5 1 1 A 33 33 ASP N N 42 130.868 128.570 2.298 1
1 389 . 5 1 1 A 34 34 GLY HA2 H 43 4.230 4.083 0.147 1
1 390 . 5 1 1 A 34 34 GLY HA3 H 43 3.818 4.087 -0.269 1
1 391 . 5 1 1 A 34 34 GLY CA C 43 46.510 45.478 1.032 1
1 392 . 5 1 1 A 35 35 SER H H 44 8.049 7.742 0.307 1
1 393 . 5 1 1 A 35 35 SER HA H 44 4.928 4.981 -0.053 1
1 396 . 5 1 1 A 35 35 SER CA C 44 58.067 57.409 0.658 1
1 397 . 5 1 1 A 35 35 SER CB C 44 67.393 66.864 0.529 1
1 398 . 5 1 1 A 35 35 SER N N 44 115.029 115.978 -0.949 1
1 399 . 5 1 1 A 36 36 GLY H H 45 8.637 8.480 0.157 1
1 400 . 5 1 1 A 36 36 GLY HA2 H 45 4.338 3.980 0.358 1
1 401 . 5 1 1 A 36 36 GLY HA3 H 45 3.884 3.982 -0.098 1
1 402 . 5 1 1 A 36 36 GLY CA C 45 46.137 46.605 -0.468 1
1 403 . 5 1 1 A 36 36 GLY N N 45 109.265 111.020 -1.755 1
1 404 . 5 1 1 A 37 37 GLN H H 46 8.329 7.858 0.471 1
1 405 . 5 1 1 A 37 37 GLN HA H 46 4.339 4.843 -0.504 1
1 412 . 5 1 1 A 37 37 GLN CA C 46 56.002 54.426 1.576 1
1 413 . 5 1 1 A 37 37 GLN CB C 46 30.241 30.739 -0.498 1
1 415 . 5 1 1 A 37 37 GLN N N 46 120.699 117.333 3.366 1
1 417 . 5 1 1 A 38 38 CYS H H 47 7.787 8.962 -1.175 1
1 418 . 5 1 1 A 38 38 CYS HA H 47 5.257 5.747 -0.490 1
1 420 . 5 1 1 A 38 38 CYS CA C 47 56.761 56.971 -0.210 1
1 421 . 5 1 1 A 38 38 CYS CB C 47 29.250 30.616 -1.366 1
1 422 . 5 1 1 A 38 38 CYS N N 47 124.214 122.721 1.493 1
1 423 . 5 1 1 A 39 39 HIS H H 48 8.906 8.418 0.488 1
1 424 . 5 1 1 A 39 39 HIS HA H 48 4.730 5.031 -0.301 1
1 428 . 5 1 1 A 39 39 HIS CA C 48 54.888 54.114 0.774 1
1 429 . 5 1 1 A 39 39 HIS CB C 48 34.688 34.369 0.319 1
1 431 . 5 1 1 A 39 39 HIS N N 48 125.807 120.145 5.662 1
1 432 . 5 1 1 A 40 40 SER H H 49 8.728 8.774 -0.046 1
1 433 . 5 1 1 A 40 40 SER HA H 49 5.732 5.517 0.215 1
1 436 . 5 1 1 A 40 40 SER CA C 49 57.041 57.361 -0.320 1
1 437 . 5 1 1 A 40 40 SER CB C 49 66.274 66.261 0.013 1
1 438 . 5 1 1 A 40 40 SER N N 49 116.034 114.428 1.606 1
1 439 . 5 1 1 A 41 41 THR H H 50 9.212 8.952 0.260 1
1 440 . 5 1 1 A 41 41 THR HA H 50 4.477 5.052 -0.575 1
1 445 . 5 1 1 A 41 41 THR CA C 50 61.457 59.508 1.949 1
1 446 . 5 1 1 A 41 41 THR CB C 50 72.337 70.966 1.371 1
1 448 . 5 1 1 A 41 41 THR N N 50 115.404 112.813 2.591 1
1 449 . 5 1 1 A 42 42 ASP H H 51 9.424 8.606 0.818 1
1 450 . 5 1 1 A 42 42 ASP HA H 51 4.676 4.590 0.086 1
1 453 . 5 1 1 A 42 42 ASP CA C 51 54.996 54.488 0.508 1
1 454 . 5 1 1 A 42 42 ASP CB C 51 41.543 41.148 0.395 1
1 455 . 5 1 1 A 42 42 ASP N N 51 119.340 122.021 -2.681 1
1 456 . 5 1 1 A 43 43 THR H H 52 8.650 8.567 0.083 1
1 457 . 5 1 1 A 43 43 THR HA H 52 4.858 5.135 -0.277 1
1 462 . 5 1 1 A 43 43 THR CA C 52 62.637 62.069 0.568 1
1 463 . 5 1 1 A 43 43 THR CB C 52 70.191 70.589 -0.398 1
1 465 . 5 1 1 A 43 43 THR N N 52 117.836 117.335 0.501 1
1 466 . 5 1 1 A 44 44 VAL H H 53 8.266 9.039 -0.773 1
1 467 . 5 1 1 A 44 44 VAL HA H 53 4.363 4.495 -0.132 1
1 475 . 5 1 1 A 44 44 VAL CA C 53 61.086 61.145 -0.059 1
1 476 . 5 1 1 A 44 44 VAL CB C 53 33.361 32.907 0.454 1
1 479 . 5 1 1 A 44 44 VAL N N 53 127.775 126.707 1.068 1
1 480 . 5 1 1 A 45 45 LYS H H 54 8.163 8.627 -0.464 1
1 481 . 5 1 1 A 45 45 LYS HA H 54 4.229 4.220 0.009 1
1 487 . 5 1 1 A 45 45 LYS CA C 54 56.627 56.791 -0.164 1
1 488 . 5 1 1 A 45 45 LYS CB C 54 33.739 32.846 0.893 1
1 492 . 5 1 1 A 45 45 LYS N N 54 120.934 127.925 -6.991 1
1 493 . 5 1 1 A 46 46 ASN H H 55 9.642 8.879 0.763 1
1 494 . 5 1 1 A 46 46 ASN HA H 55 4.150 4.458 -0.308 1
1 499 . 5 1 1 A 46 46 ASN CA C 55 54.029 53.802 0.227 1
1 500 . 5 1 1 A 46 46 ASN CB C 55 38.668 36.024 2.644 1
1 501 . 5 1 1 A 46 46 ASN N N 55 121.215 122.103 -0.888 1
1 503 . 5 1 1 A 47 47 THR H H 56 8.246 7.696 0.550 1
1 504 . 5 1 1 A 47 47 THR HA H 56 4.661 4.779 -0.118 1
1 509 . 5 1 1 A 47 47 THR CA C 56 60.963 60.464 0.499 1
1 510 . 5 1 1 A 47 47 THR CB C 56 68.512 69.492 -0.980 1
1 512 . 5 1 1 A 47 47 THR N N 56 111.936 117.918 -5.982 1
1 513 . 5 1 1 A 48 48 LEU H H 57 8.245 8.525 -0.280 1
1 514 . 5 1 1 A 48 48 LEU HA H 57 4.410 4.629 -0.219 1
1 524 . 5 1 1 A 48 48 LEU CA C 57 53.641 53.860 -0.219 1
1 525 . 5 1 1 A 48 48 LEU CB C 57 41.570 41.888 -0.318 1
1 529 . 5 1 1 A 48 48 LEU N N 57 122.433 124.515 -2.082 1
1 530 . 5 1 1 A 49 49 ASP H H 58 8.544 7.790 0.754 1
1 531 . 5 1 1 A 49 49 ASP HA H 58 5.419 4.845 0.574 1
1 534 . 5 1 1 A 49 49 ASP CA C 58 51.826 51.845 -0.019 1
1 535 . 5 1 1 A 49 49 ASP CB C 58 44.085 41.039 3.046 1
1 536 . 5 1 1 A 49 49 ASP N N 58 116.903 119.707 -2.804 1
1 537 . 5 1 1 A 50 50 PRO HA H 59 3.790 4.504 -0.714 1
1 543 . 5 1 1 A 50 50 PRO CA C 59 63.219 62.011 1.208 1
1 544 . 5 1 1 A 50 50 PRO CB C 59 32.661 32.734 -0.073 1
1 547 . 5 1 1 A 51 51 LYS H H 60 7.806 7.857 -0.051 1
1 548 . 5 1 1 A 51 51 LYS HA H 60 4.224 4.642 -0.418 1
1 555 . 5 1 1 A 51 51 LYS CA C 60 55.521 54.786 0.735 1
1 556 . 5 1 1 A 51 51 LYS CB C 60 33.826 36.176 -2.350 1
1 560 . 5 1 1 A 51 51 LYS N N 60 119.996 116.609 3.387 1
1 561 . 5 1 1 A 52 52 TRP H H 61 7.791 8.237 -0.446 1
1 562 . 5 1 1 A 52 52 TRP HA H 61 4.824 4.855 -0.031 1
1 570 . 5 1 1 A 52 52 TRP CA C 61 60.590 57.557 3.033 1
1 571 . 5 1 1 A 52 52 TRP CB C 61 29.715 31.447 -1.732 1
1 576 . 5 1 1 A 52 52 TRP N N 61 122.386 119.743 2.643 1
1 578 . 5 1 1 A 53 53 ASN H H 62 9.040 7.998 1.042 1
1 579 . 5 1 1 A 53 53 ASN HA H 62 4.419 4.453 -0.034 1
1 584 . 5 1 1 A 53 53 ASN CA C 62 53.789 54.133 -0.344 1
1 585 . 5 1 1 A 53 53 ASN CB C 62 37.922 36.265 1.657 1
1 586 . 5 1 1 A 53 53 ASN N N 62 117.185 117.459 -0.274 1
1 588 . 5 1 1 A 54 54 GLN H H 63 7.512 7.723 -0.211 1
1 589 . 5 1 1 A 54 54 GLN HA H 63 4.584 4.771 -0.187 1
1 596 . 5 1 1 A 54 54 GLN CA C 63 55.008 54.346 0.662 1
1 597 . 5 1 1 A 54 54 GLN CB C 63 34.938 31.270 3.668 1
1 599 . 5 1 1 A 54 54 GLN N N 63 116.341 118.470 -2.129 1
1 601 . 5 1 1 A 55 55 HIS H H 64 7.782 8.145 -0.363 1
1 602 . 5 1 1 A 55 55 HIS HA H 64 5.796 5.630 0.166 1
1 606 . 5 1 1 A 55 55 HIS CA C 64 53.059 53.118 -0.059 1
1 607 . 5 1 1 A 55 55 HIS CB C 64 34.378 32.848 1.530 1
1 609 . 5 1 1 A 55 55 HIS N N 64 118.403 117.607 0.796 1
1 610 . 5 1 1 A 56 56 TYR H H 65 8.657 8.512 0.145 1
1 611 . 5 1 1 A 56 56 TYR HA H 65 4.404 4.906 -0.502 1
1 618 . 5 1 1 A 56 56 TYR CA C 65 57.430 56.422 1.008 1
1 619 . 5 1 1 A 56 56 TYR CB C 65 42.958 41.675 1.283 1
1 622 . 5 1 1 A 56 56 TYR N N 65 116.435 117.999 -1.564 1
1 623 . 5 1 1 A 57 57 ASP H H 66 8.772 8.573 0.199 1
1 624 . 5 1 1 A 57 57 ASP HA H 66 5.283 5.083 0.200 1
1 627 . 5 1 1 A 57 57 ASP CA C 66 54.250 53.590 0.660 1
1 628 . 5 1 1 A 57 57 ASP CB C 66 40.914 41.645 -0.731 1
1 629 . 5 1 1 A 57 57 ASP N N 66 124.776 123.378 1.398 1
1 630 . 5 1 1 A 58 58 LEU H H 67 9.175 8.481 0.694 1
1 631 . 5 1 1 A 58 58 LEU HA H 67 4.589 4.724 -0.135 1
1 641 . 5 1 1 A 58 58 LEU CA C 67 53.131 53.288 -0.157 1
1 642 . 5 1 1 A 58 58 LEU CB C 67 45.060 45.251 -0.191 1
1 645 . 5 1 1 A 58 58 LEU N N 67 124.558 124.520 0.038 1
1 646 . 5 1 1 A 59 59 TYR H H 68 8.877 8.843 0.034 1
1 647 . 5 1 1 A 59 59 TYR HA H 68 5.096 5.391 -0.295 1
1 654 . 5 1 1 A 59 59 TYR CA C 68 57.606 57.525 0.081 1
1 655 . 5 1 1 A 59 59 TYR CB C 68 39.422 40.164 -0.742 1
1 658 . 5 1 1 A 59 59 TYR N N 68 121.215 121.720 -0.505 1
1 659 . 5 1 1 A 60 60 ILE H H 69 9.162 8.928 0.234 1
1 660 . 5 1 1 A 60 60 ILE HA H 69 4.551 4.587 -0.036 1
1 670 . 5 1 1 A 60 60 ILE CA C 69 59.471 59.953 -0.482 1
1 671 . 5 1 1 A 60 60 ILE CB C 69 40.500 39.688 0.812 1
1 675 . 5 1 1 A 60 60 ILE N N 69 124.823 122.470 2.353 1
1 676 . 5 1 1 A 61 61 GLY H H 70 9.960 8.738 1.222 1
1 677 . 5 1 1 A 61 61 GLY HA2 H 70 4.517 4.105 0.412 1
1 678 . 5 1 1 A 61 61 GLY HA3 H 70 3.881 4.107 -0.226 1
1 679 . 5 1 1 A 61 61 GLY CA C 70 44.083 44.527 -0.444 1
1 680 . 5 1 1 A 61 61 GLY N N 70 117.841 115.035 2.806 1
1 681 . 5 1 1 A 62 62 LYS H H 71 8.605 8.825 -0.220 1
1 682 . 5 1 1 A 62 62 LYS HA H 71 4.090 3.913 0.177 1
1 687 . 5 1 1 A 62 62 LYS CA C 71 59.447 59.100 0.347 1
1 688 . 5 1 1 A 62 62 LYS CB C 71 33.453 32.288 1.165 1
1 692 . 5 1 1 A 62 62 LYS N N 71 119.434 119.913 -0.479 1
1 693 . 5 1 1 A 63 63 SER H H 72 8.544 7.817 0.727 1
1 694 . 5 1 1 A 63 63 SER HA H 72 4.811 4.673 0.138 1
1 696 . 5 1 1 A 63 63 SER CA C 72 57.606 56.886 0.720 1
1 697 . 5 1 1 A 63 63 SER CB C 72 64.013 63.303 0.710 1
1 698 . 5 1 1 A 63 63 SER N N 72 111.842 109.738 2.104 1
1 699 . 5 1 1 A 64 64 ASP H H 73 7.247 8.209 -0.962 1
1 700 . 5 1 1 A 64 64 ASP HA H 73 4.867 5.307 -0.440 1
1 702 . 5 1 1 A 64 64 ASP CA C 73 55.500 52.910 2.590 1
1 703 . 5 1 1 A 64 64 ASP CB C 73 43.331 44.608 -1.277 1
1 704 . 5 1 1 A 64 64 ASP N N 73 121.964 122.995 -1.031 1
1 705 . 5 1 1 A 65 65 SER H H 74 8.742 8.298 0.444 1
1 706 . 5 1 1 A 65 65 SER HA H 74 5.074 5.127 -0.053 1
1 708 . 5 1 1 A 65 65 SER CA C 74 56.301 57.616 -1.315 1
1 709 . 5 1 1 A 65 65 SER CB C 74 67.579 67.191 0.388 1
1 710 . 5 1 1 A 65 65 SER N N 74 111.936 115.165 -3.229 1
1 711 . 5 1 1 A 66 66 VAL H H 75 8.622 8.311 0.311 1
1 712 . 5 1 1 A 66 66 VAL HA H 75 5.095 4.998 0.097 1
1 720 . 5 1 1 A 66 66 VAL CA C 75 60.217 60.709 -0.492 1
1 721 . 5 1 1 A 66 66 VAL CB C 75 36.617 35.861 0.756 1
1 724 . 5 1 1 A 66 66 VAL N N 75 119.422 121.293 -1.871 1
1 725 . 5 1 1 A 67 67 THR H H 76 9.152 8.611 0.541 1
1 726 . 5 1 1 A 67 67 THR HA H 76 5.199 4.963 0.236 1
1 731 . 5 1 1 A 67 67 THR CA C 76 63.014 61.940 1.074 1
1 732 . 5 1 1 A 67 67 THR CB C 76 69.703 71.472 -1.769 1
1 734 . 5 1 1 A 67 67 THR N N 76 123.839 122.547 1.292 1
1 735 . 5 1 1 A 68 68 ILE H H 77 9.106 8.976 0.130 1
1 736 . 5 1 1 A 68 68 ILE HA H 77 5.389 4.750 0.639 1
1 746 . 5 1 1 A 68 68 ILE CA C 77 59.844 60.554 -0.710 1
1 747 . 5 1 1 A 68 68 ILE CB C 77 40.347 38.497 1.850 1
1 751 . 5 1 1 A 68 68 ILE N N 77 129.275 129.720 -0.445 1
1 752 . 5 1 1 A 69 69 SER H H 78 9.645 9.163 0.482 1
1 753 . 5 1 1 A 69 69 SER HA H 78 5.265 5.370 -0.105 1
1 756 . 5 1 1 A 69 69 SER CA C 78 56.114 56.553 -0.439 1
1 757 . 5 1 1 A 69 69 SER CB C 78 66.087 64.818 1.269 1
1 758 . 5 1 1 A 69 69 SER N N 78 120.559 121.815 -1.256 1
1 759 . 5 1 1 A 70 70 VAL H H 79 8.482 8.562 -0.080 1
1 760 . 5 1 1 A 70 70 VAL HA H 79 4.676 4.526 0.150 1
1 768 . 5 1 1 A 70 70 VAL CA C 79 60.852 61.271 -0.419 1
1 769 . 5 1 1 A 70 70 VAL CB C 79 32.992 32.659 0.333 1
1 772 . 5 1 1 A 70 70 VAL N N 79 121.777 125.318 -3.541 1
1 773 . 5 1 1 A 71 71 TRP H H 80 8.627 8.513 0.114 1
1 774 . 5 1 1 A 71 71 TRP HA H 80 4.930 4.920 0.010 1
1 783 . 5 1 1 A 71 71 TRP CA C 80 55.182 55.007 0.175 1
1 784 . 5 1 1 A 71 71 TRP CB C 80 34.058 33.382 0.676 1
1 790 . 5 1 1 A 71 71 TRP N N 80 124.474 127.124 -2.650 1
1 792 . 5 1 1 A 72 72 ASN H H 81 9.891 8.817 1.074 1
1 793 . 5 1 1 A 72 72 ASN HA H 81 4.789 4.987 -0.198 1
1 798 . 5 1 1 A 72 72 ASN CA C 81 51.049 52.151 -1.102 1
1 799 . 5 1 1 A 72 72 ASN CB C 81 39.091 38.069 1.022 1
1 800 . 5 1 1 A 72 72 ASN N N 81 116.435 121.707 -5.272 1
1 802 . 5 1 1 A 73 73 HIS H H 82 9.967 9.171 0.796 1
1 803 . 5 1 1 A 73 73 HIS HA H 82 4.499 4.236 0.263 1
1 806 . 5 1 1 A 73 73 HIS CA C 82 60.788 60.451 0.337 1
1 807 . 5 1 1 A 73 73 HIS CB C 82 32.327 30.696 1.631 1
1 808 . 5 1 1 A 73 73 HIS N N 82 127.963 126.158 1.805 1
1 809 . 5 1 1 A 74 74 LYS H H 83 7.764 8.187 -0.423 1
1 810 . 5 1 1 A 74 74 LYS HA H 83 4.297 3.876 0.421 1
1 817 . 5 1 1 A 74 74 LYS CA C 83 59.232 59.923 -0.691 1
1 818 . 5 1 1 A 74 74 LYS CB C 83 33.640 32.300 1.340 1
1 822 . 5 1 1 A 74 74 LYS N N 83 112.592 118.357 -5.765 1
1 823 . 5 1 1 A 75 75 LYS H H 84 7.626 7.705 -0.079 1
1 824 . 5 1 1 A 75 75 LYS HA H 84 4.607 4.200 0.407 1
1 832 . 5 1 1 A 75 75 LYS CA C 84 55.828 58.964 -3.136 1
1 833 . 5 1 1 A 75 75 LYS CB C 84 36.064 32.075 3.989 1
1 837 . 5 1 1 A 75 75 LYS N N 84 114.560 118.213 -3.653 1
1 838 . 5 1 1 A 76 76 ILE H H 85 7.021 8.046 -1.025 1
1 839 . 5 1 1 A 76 76 ILE HA H 85 4.132 3.970 0.162 1
1 849 . 5 1 1 A 76 76 ILE CA C 85 64.013 64.450 -0.437 1
1 850 . 5 1 1 A 76 76 ILE CB C 85 39.146 37.450 1.696 1
1 854 . 5 1 1 A 76 76 ILE N N 85 113.811 117.192 -3.381 1
1 855 . 5 1 1 A 77 77 HIS H H 86 8.335 7.287 1.048 1
1 856 . 5 1 1 A 77 77 HIS HA H 86 4.612 4.330 0.282 1
1 859 . 5 1 1 A 77 77 HIS CA C 86 56.815 60.044 -3.229 1
1 860 . 5 1 1 A 77 77 HIS CB C 86 30.461 30.062 0.399 1
1 862 . 5 1 1 A 77 77 HIS N N 86 117.841 120.808 -2.967 1
1 863 . 5 1 1 A 78 78 LYS H H 87 7.587 7.803 -0.216 1
1 864 . 5 1 1 A 78 78 LYS HA H 87 4.094 4.108 -0.014 1
1 870 . 5 1 1 A 78 78 LYS CA C 87 57.628 58.515 -0.887 1
1 871 . 5 1 1 A 78 78 LYS CB C 87 32.893 33.491 -0.598 1
1 875 . 5 1 1 A 78 78 LYS N N 87 120.652 121.191 -0.539 1
1 876 . 5 1 1 A 79 79 LYS H H 88 7.585 8.098 -0.513 1
1 877 . 5 1 1 A 79 79 LYS HA H 88 4.304 4.421 -0.117 1
1 883 . 5 1 1 A 79 79 LYS CA C 88 56.467 58.502 -2.035 1
1 884 . 5 1 1 A 79 79 LYS CB C 88 34.013 31.238 2.775 1
1 888 . 5 1 1 A 79 79 LYS N N 88 115.872 118.245 -2.373 1
1 889 . 5 1 1 A 80 80 GLN H H 89 8.625 8.761 -0.136 1
1 890 . 5 1 1 A 80 80 GLN HA H 89 4.192 4.065 0.127 1
1 893 . 5 1 1 A 80 80 GLN CA C 89 57.590 57.963 -0.373 1
1 894 . 5 1 1 A 80 80 GLN CB C 89 28.331 27.358 0.973 1
1 896 . 5 1 1 A 80 80 GLN N N 89 121.308 118.173 3.135 1
1 897 . 5 1 1 A 81 81 GLY H H 90 8.791 8.775 0.016 1
1 898 . 5 1 1 A 81 81 GLY HA2 H 90 4.332 3.909 0.423 1
1 899 . 5 1 1 A 81 81 GLY HA3 H 90 3.850 3.931 -0.081 1
1 900 . 5 1 1 A 81 81 GLY CA C 90 45.950 46.838 -0.888 1
1 901 . 5 1 1 A 81 81 GLY N N 90 112.984 111.270 1.714 1
1 902 . 5 1 1 A 82 82 ALA H H 91 7.951 7.617 0.334 1
1 903 . 5 1 1 A 82 82 ALA HA H 91 4.485 4.116 0.369 1
1 907 . 5 1 1 A 82 82 ALA CA C 91 53.404 53.915 -0.511 1
1 908 . 5 1 1 A 82 82 ALA CB C 91 20.762 18.514 2.248 1
1 909 . 5 1 1 A 82 82 ALA N N 91 123.745 123.542 0.203 1
1 910 . 5 1 1 A 83 83 GLY H H 92 8.860 8.959 -0.099 1
1 911 . 5 1 1 A 83 83 GLY HA2 H 92 4.270 4.158 0.112 1
1 912 . 5 1 1 A 83 83 GLY HA3 H 92 4.262 4.204 0.058 1
1 913 . 5 1 1 A 83 83 GLY CA C 92 46.689 45.388 1.301 1
1 914 . 5 1 1 A 83 83 GLY N N 92 105.564 110.917 -5.353 1
1 915 . 5 1 1 A 84 84 PHE H H 93 8.113 8.132 -0.019 1
1 916 . 5 1 1 A 84 84 PHE HA H 93 3.440 4.600 -1.160 1
1 924 . 5 1 1 A 84 84 PHE CA C 93 59.932 58.021 1.911 1
1 925 . 5 1 1 A 84 84 PHE CB C 93 39.141 40.287 -1.146 1
1 929 . 5 1 1 A 84 84 PHE N N 93 121.215 121.515 -0.300 1
1 930 . 5 1 1 A 85 85 LEU H H 94 8.204 7.134 1.070 1
1 931 . 5 1 1 A 85 85 LEU HA H 94 4.334 4.591 -0.257 1
1 938 . 5 1 1 A 85 85 LEU CA C 94 53.569 52.656 0.913 1
1 939 . 5 1 1 A 85 85 LEU CB C 94 43.255 45.533 -2.278 1
1 942 . 5 1 1 A 85 85 LEU N N 94 125.432 126.989 -1.557 1
1 943 . 5 1 1 A 86 86 GLY HA2 H 95 4.222 3.814 0.408 1
1 944 . 5 1 1 A 86 86 GLY HA3 H 95 3.147 3.822 -0.675 1
1 945 . 5 1 1 A 86 86 GLY CA C 95 45.570 45.638 -0.068 1
1 946 . 5 1 1 A 87 87 CYS H H 96 9.230 8.603 0.627 1
1 947 . 5 1 1 A 87 87 CYS HA H 96 5.838 4.984 0.854 1
1 949 . 5 1 1 A 87 87 CYS CA C 96 55.882 57.141 -1.259 1
1 950 . 5 1 1 A 87 87 CYS CB C 96 33.259 28.623 4.636 1
1 951 . 5 1 1 A 87 87 CYS N N 96 114.935 124.097 -9.162 1
1 952 . 5 1 1 A 88 88 VAL H H 97 9.242 9.119 0.123 1
1 953 . 5 1 1 A 88 88 VAL HA H 97 4.575 4.822 -0.247 1
1 961 . 5 1 1 A 88 88 VAL CA C 97 61.769 60.155 1.614 1
1 962 . 5 1 1 A 88 88 VAL CB C 97 35.684 33.812 1.872 1
1 965 . 5 1 1 A 88 88 VAL N N 97 115.966 124.439 -8.473 1
1 966 . 5 1 1 A 89 89 ARG H H 98 8.665 9.122 -0.457 1
1 967 . 5 1 1 A 89 89 ARG HA H 98 5.166 5.170 -0.004 1
1 973 . 5 1 1 A 89 89 ARG CA C 98 54.929 54.380 0.549 1
1 974 . 5 1 1 A 89 89 ARG CB C 98 31.961 34.000 -2.039 1
1 977 . 5 1 1 A 89 89 ARG N N 98 125.526 129.675 -4.149 1
1 978 . 5 1 1 A 90 90 LEU H H 99 9.611 8.389 1.222 1
1 979 . 5 1 1 A 90 90 LEU HA H 99 4.644 5.149 -0.505 1
1 989 . 5 1 1 A 90 90 LEU CA C 99 53.217 53.425 -0.208 1
1 990 . 5 1 1 A 90 90 LEU CB C 99 43.339 45.686 -2.347 1
1 994 . 5 1 1 A 90 90 LEU N N 99 127.119 126.573 0.546 1
1 995 . 5 1 1 A 91 91 LEU H H 100 7.953 8.584 -0.631 1
1 996 . 5 1 1 A 91 91 LEU HA H 100 4.540 4.676 -0.136 1
1 1005 . 5 1 1 A 91 91 LEU CA C 100 54.523 53.876 0.647 1
1 1006 . 5 1 1 A 91 91 LEU CB C 100 42.593 42.424 0.169 1
1 1010 . 5 1 1 A 91 91 LEU N N 100 122.527 124.871 -2.344 1
1 1011 . 5 1 1 A 92 92 SER H H 101 8.754 8.642 0.112 1
1 1012 . 5 1 1 A 92 92 SER HA H 101 3.950 4.160 -0.210 1
1 1013 . 5 1 1 A 92 92 SER CA C 101 63.171 61.718 1.453 1
1 1014 . 5 1 1 A 92 92 SER N N 101 115.966 116.190 -0.224 1
1 1015 . 5 1 1 A 93 93 ASN H H 102 7.765 8.303 -0.538 1
1 1016 . 5 1 1 A 93 93 ASN HA H 102 4.500 4.476 0.024 1
1 1020 . 5 1 1 A 93 93 ASN CA C 102 56.487 56.361 0.126 1
1 1021 . 5 1 1 A 93 93 ASN CB C 102 37.514 38.085 -0.571 1
1 1022 . 5 1 1 A 93 93 ASN N N 102 116.950 120.787 -3.837 1
1 1024 . 5 1 1 A 94 94 ALA H H 103 7.345 7.625 -0.280 1
1 1025 . 5 1 1 A 94 94 ALA HA H 103 4.230 4.102 0.128 1
1 1029 . 5 1 1 A 94 94 ALA CA C 103 54.843 55.068 -0.225 1
1 1030 . 5 1 1 A 94 94 ALA CB C 103 19.643 18.360 1.283 1
1 1031 . 5 1 1 A 94 94 ALA N N 103 124.495 122.220 2.275 1
1 1032 . 5 1 1 A 95 95 ILE H H 104 8.322 8.237 0.085 1
1 1033 . 5 1 1 A 95 95 ILE HA H 104 3.280 3.618 -0.338 1
1 1043 . 5 1 1 A 95 95 ILE CA C 104 66.184 64.662 1.522 1
1 1044 . 5 1 1 A 95 95 ILE CB C 104 37.922 37.350 0.572 1
1 1048 . 5 1 1 A 95 95 ILE N N 104 119.310 119.377 -0.067 1
1 1049 . 5 1 1 A 96 96 ASN H H 105 7.815 7.737 0.078 1
1 1050 . 5 1 1 A 96 96 ASN HA H 105 4.332 4.465 -0.133 1
1 1052 . 5 1 1 A 96 96 ASN CA C 105 56.487 56.007 0.480 1
1 1053 . 5 1 1 A 96 96 ASN CB C 105 38.855 38.195 0.660 1
1 1054 . 5 1 1 A 96 96 ASN N N 105 114.748 118.917 -4.169 1
1 1055 . 5 1 1 A 97 97 ARG H H 106 7.595 7.792 -0.197 1
1 1056 . 5 1 1 A 97 97 ARG HA H 106 4.257 4.137 0.120 1
1 1061 . 5 1 1 A 97 97 ARG CA C 106 58.294 58.883 -0.589 1
1 1062 . 5 1 1 A 97 97 ARG CB C 106 31.401 29.653 1.748 1
1 1065 . 5 1 1 A 97 97 ARG N N 106 117.934 119.215 -1.281 1
1 1066 . 5 1 1 A 98 98 LEU H H 107 8.179 8.491 -0.312 1
1 1067 . 5 1 1 A 98 98 LEU HA H 107 4.288 4.422 -0.134 1
1 1077 . 5 1 1 A 98 98 LEU CA C 107 55.735 57.700 -1.965 1
1 1078 . 5 1 1 A 98 98 LEU CB C 107 44.264 41.242 3.022 1
1 1082 . 5 1 1 A 98 98 LEU N N 107 116.341 119.211 -2.870 1
1 1083 . 5 1 1 A 99 99 LYS H H 108 8.058 8.621 -0.563 1
1 1084 . 5 1 1 A 99 99 LYS HA H 108 4.078 4.067 0.011 1
1 1091 . 5 1 1 A 99 99 LYS CA C 108 58.256 58.842 -0.586 1
1 1092 . 5 1 1 A 99 99 LYS CB C 108 32.520 31.828 0.692 1
1 1096 . 5 1 1 A 99 99 LYS N N 108 123.558 117.826 5.732 1
1 1097 . 5 1 1 A 100 100 ASP H H 109 9.305 7.836 1.469 1
1 1098 . 5 1 1 A 100 100 ASP HA H 109 4.672 4.562 0.110 1
1 1101 . 5 1 1 A 100 100 ASP CA C 109 57.047 55.483 1.564 1
1 1102 . 5 1 1 A 100 100 ASP CB C 109 39.041 41.407 -2.366 1
1 1103 . 5 1 1 A 100 100 ASP N N 109 115.779 119.100 -3.321 1
1 1104 . 5 1 1 A 101 101 THR H H 110 7.546 7.602 -0.056 1
1 1105 . 5 1 1 A 101 101 THR HA H 110 4.675 4.164 0.511 1
1 1110 . 5 1 1 A 101 101 THR CA C 110 61.895 63.639 -1.744 1
1 1111 . 5 1 1 A 101 101 THR CB C 110 70.432 69.543 0.889 1
1 1113 . 5 1 1 A 101 101 THR N N 110 129.087 109.863 19.224 1
1 1114 . 5 1 1 A 102 102 GLY H H 111 8.921 8.129 0.792 1
1 1115 . 5 1 1 A 102 102 GLY HA2 H 111 4.337 3.777 0.560 1
1 1116 . 5 1 1 A 102 102 GLY HA3 H 111 3.563 3.779 -0.216 1
1 1117 . 5 1 1 A 102 102 GLY CA C 111 44.062 45.142 -1.080 1
1 1118 . 5 1 1 A 102 102 GLY N N 111 112.780 110.827 1.953 1
1 1119 . 5 1 1 A 103 103 TYR H H 112 8.255 7.955 0.300 1
1 1120 . 5 1 1 A 103 103 TYR HA H 112 4.574 5.452 -0.878 1
1 1127 . 5 1 1 A 103 103 TYR CA C 112 59.745 56.582 3.163 1
1 1128 . 5 1 1 A 103 103 TYR CB C 112 38.295 42.504 -4.209 1
1 1131 . 5 1 1 A 103 103 TYR N N 112 117.653 118.398 -0.745 1
1 1132 . 5 1 1 A 104 104 GLN H H 113 9.435 9.097 0.338 1
1 1133 . 5 1 1 A 104 104 GLN HA H 113 4.659 5.065 -0.406 1
1 1140 . 5 1 1 A 104 104 GLN CA C 113 53.852 54.785 -0.933 1
1 1141 . 5 1 1 A 104 104 GLN CB C 113 31.128 32.188 -1.060 1
1 1143 . 5 1 1 A 104 104 GLN N N 113 121.964 122.364 -0.400 1
1 1145 . 5 1 1 A 105 105 ARG H H 114 8.670 8.989 -0.319 1
1 1146 . 5 1 1 A 105 105 ARG HA H 114 4.838 4.905 -0.067 1
1 1151 . 5 1 1 A 105 105 ARG CA C 114 55.090 55.258 -0.168 1
1 1152 . 5 1 1 A 105 105 ARG CB C 114 31.401 30.555 0.846 1
1 1155 . 5 1 1 A 105 105 ARG N N 114 122.246 124.230 -1.984 1
1 1156 . 5 1 1 A 106 106 LEU H H 115 9.269 8.712 0.557 1
1 1157 . 5 1 1 A 106 106 LEU HA H 115 4.843 4.913 -0.070 1
1 1163 . 5 1 1 A 106 106 LEU CA C 115 53.317 53.521 -0.204 1
1 1164 . 5 1 1 A 106 106 LEU CB C 115 44.570 43.417 1.153 1
1 1166 . 5 1 1 A 106 106 LEU N N 115 126.088 125.870 0.218 1
1 1167 . 5 1 1 A 107 107 ASP H H 116 8.582 8.695 -0.113 1
1 1168 . 5 1 1 A 107 107 ASP HA H 116 4.748 4.819 -0.071 1
1 1171 . 5 1 1 A 107 107 ASP CA C 116 55.402 54.293 1.109 1
1 1172 . 5 1 1 A 107 107 ASP CB C 116 41.280 41.406 -0.126 1
1 1173 . 5 1 1 A 107 107 ASP N N 116 122.714 124.682 -1.968 1
1 1174 . 5 1 1 A 108 108 LEU H H 117 8.067 8.564 -0.497 1
1 1175 . 5 1 1 A 108 108 LEU HA H 117 4.195 4.549 -0.354 1
1 1185 . 5 1 1 A 108 108 LEU CA C 117 55.308 54.853 0.455 1
1 1186 . 5 1 1 A 108 108 LEU CB C 117 42.871 42.046 0.825 1
1 1190 . 5 1 1 A 108 108 LEU N N 117 121.121 124.513 -3.392 1
1 1191 . 5 1 1 A 109 109 CYS H H 118 9.705 8.799 0.906 1
1 1192 . 5 1 1 A 109 109 CYS HA H 118 4.839 5.020 -0.181 1
1 1195 . 5 1 1 A 109 109 CYS CA C 118 57.979 57.302 0.677 1
1 1196 . 5 1 1 A 109 109 CYS CB C 118 31.953 31.132 0.821 1
1 1197 . 5 1 1 A 109 109 CYS N N 118 118.403 121.753 -3.350 1
1 1198 . 5 1 1 A 110 110 LYS H H 119 8.419 8.373 0.046 1
1 1199 . 5 1 1 A 110 110 LYS HA H 119 4.426 4.472 -0.046 1
1 1207 . 5 1 1 A 110 110 LYS CA C 119 56.957 56.518 0.439 1
1 1208 . 5 1 1 A 110 110 LYS CB C 119 34.386 33.114 1.272 1
1 1212 . 5 1 1 A 110 110 LYS N N 119 120.090 119.533 0.557 1
1 1213 . 5 1 1 A 111 111 LEU H H 120 9.016 8.383 0.633 1
1 1214 . 5 1 1 A 111 111 LEU HA H 120 4.054 3.999 0.055 1
1 1223 . 5 1 1 A 111 111 LEU CA C 120 57.694 57.003 0.691 1
1 1224 . 5 1 1 A 111 111 LEU CB C 120 43.062 42.310 0.752 1
1 1227 . 5 1 1 A 111 111 LEU N N 120 123.089 121.201 1.888 1
1 1228 . 5 1 1 A 112 112 GLY H H 121 7.578 7.218 0.360 1
1 1229 . 5 1 1 A 112 112 GLY HA2 H 121 4.320 4.037 0.283 1
1 1230 . 5 1 1 A 112 112 GLY HA3 H 121 3.863 4.048 -0.185 1
1 1231 . 5 1 1 A 112 112 GLY CA C 121 44.644 45.166 -0.522 1
1 1232 . 5 1 1 A 112 112 GLY N N 121 105.939 104.332 1.607 1
1 1233 . 5 1 1 A 113 113 PRO HA H 122 4.365 4.247 0.118 1
1 1240 . 5 1 1 A 113 113 PRO CA C 122 64.692 63.187 1.505 1
1 1241 . 5 1 1 A 113 113 PRO CB C 122 32.663 32.425 0.238 1
1 1244 . 5 1 1 A 114 114 ASN H H 123 8.603 8.986 -0.383 1
1 1245 . 5 1 1 A 114 114 ASN HA H 123 4.899 4.344 0.555 1
1 1250 . 5 1 1 A 114 114 ASN CA C 123 52.944 55.320 -2.376 1
1 1251 . 5 1 1 A 114 114 ASN CB C 123 39.041 36.149 2.892 1
1 1252 . 5 1 1 A 114 114 ASN N N 123 115.591 114.466 1.125 1
1 1254 . 5 1 1 A 115 115 ASP H H 124 7.507 8.389 -0.882 1
1 1255 . 5 1 1 A 115 115 ASP HA H 124 4.507 4.329 0.178 1
1 1258 . 5 1 1 A 115 115 ASP CA C 124 54.843 56.833 -1.990 1
1 1259 . 5 1 1 A 115 115 ASP CB C 124 41.620 40.948 0.672 1
1 1260 . 5 1 1 A 115 115 ASP N N 124 121.215 119.378 1.837 1
1 1261 . 5 1 1 A 116 116 ASN H H 125 8.741 8.013 0.728 1
1 1262 . 5 1 1 A 116 116 ASN HA H 125 4.823 4.307 0.516 1
1 1267 . 5 1 1 A 116 116 ASN CA C 125 53.447 54.129 -0.682 1
1 1268 . 5 1 1 A 116 116 ASN CB C 125 43.830 36.886 6.944 1
1 1269 . 5 1 1 A 116 116 ASN N N 125 120.137 115.990 4.147 1
1 1271 . 5 1 1 A 117 117 ASP H H 126 8.039 8.030 0.009 1
1 1272 . 5 1 1 A 117 117 ASP HA H 126 4.745 4.869 -0.124 1
1 1274 . 5 1 1 A 117 117 ASP CA C 126 54.436 52.090 2.346 1
1 1275 . 5 1 1 A 117 117 ASP CB C 126 42.046 40.140 1.906 1
1 1276 . 5 1 1 A 117 117 ASP N N 126 120.746 119.916 0.830 1
1 1277 . 5 1 1 A 118 118 THR H H 127 8.361 8.054 0.307 1
1 1278 . 5 1 1 A 118 118 THR HA H 127 4.331 3.998 0.333 1
1 1283 . 5 1 1 A 118 118 THR CA C 127 62.454 62.858 -0.404 1
1 1284 . 5 1 1 A 118 118 THR CB C 127 70.191 66.399 3.792 1
1 1286 . 5 1 1 A 118 118 THR N N 127 116.903 114.668 2.235 1
1 1287 . 5 1 1 A 119 119 VAL H H 128 8.152 7.774 0.378 1
1 1288 . 5 1 1 A 119 119 VAL HA H 128 4.172 4.948 -0.776 1
1 1296 . 5 1 1 A 119 119 VAL CA C 128 61.051 59.534 1.517 1
1 1297 . 5 1 1 A 119 119 VAL CB C 128 35.124 35.667 -0.543 1
1 1300 . 5 1 1 A 119 119 VAL N N 128 119.903 121.464 -1.561 1
1 1301 . 5 1 1 A 120 120 ARG H H 129 7.884 8.732 -0.848 1
1 1302 . 5 1 1 A 120 120 ARG HA H 129 4.719 4.825 -0.106 1
1 1307 . 5 1 1 A 120 120 ARG CA C 129 55.555 55.840 -0.285 1
1 1308 . 5 1 1 A 120 120 ARG CB C 129 34.945 32.910 2.035 1
1 1311 . 5 1 1 A 120 120 ARG N N 129 122.621 125.237 -2.616 1
1 1312 . 5 1 1 A 121 121 GLY H H 130 8.289 8.072 0.217 1
1 1313 . 5 1 1 A 121 121 GLY HA2 H 130 4.605 4.144 0.461 1
1 1314 . 5 1 1 A 121 121 GLY HA3 H 130 3.803 4.148 -0.345 1
1 1315 . 5 1 1 A 121 121 GLY CA C 130 45.756 45.570 0.186 1
1 1316 . 5 1 1 A 121 121 GLY N N 130 107.626 112.727 -5.101 1
1 1317 . 5 1 1 A 122 122 GLN H H 131 8.408 8.792 -0.384 1
1 1318 . 5 1 1 A 122 122 GLN HA H 131 5.434 5.296 0.138 1
1 1323 . 5 1 1 A 122 122 GLN CA C 131 54.809 54.082 0.727 1
1 1324 . 5 1 1 A 122 122 GLN CB C 131 34.756 33.518 1.238 1
1 1326 . 5 1 1 A 122 122 GLN N N 131 114.654 117.822 -3.168 1
1 1328 . 5 1 1 A 123 123 ILE H H 132 9.273 8.594 0.679 1
1 1329 . 5 1 1 A 123 123 ILE HA H 132 5.207 4.657 0.550 1
1 1339 . 5 1 1 A 123 123 ILE CA C 132 59.284 59.834 -0.550 1
1 1340 . 5 1 1 A 123 123 ILE CB C 132 44.085 41.452 2.633 1
1 1344 . 5 1 1 A 123 123 ILE N N 132 118.216 121.320 -3.104 1
1 1345 . 5 1 1 A 124 124 VAL H H 133 8.750 9.134 -0.384 1
1 1346 . 5 1 1 A 124 124 VAL HA H 133 5.338 4.790 0.548 1
1 1354 . 5 1 1 A 124 124 VAL CA C 133 61.611 61.151 0.460 1
1 1355 . 5 1 1 A 124 124 VAL CB C 133 32.620 33.104 -0.484 1
1 1358 . 5 1 1 A 124 124 VAL N N 133 126.088 128.584 -2.496 1
1 1359 . 5 1 1 A 125 125 VAL H H 134 8.698 9.223 -0.525 1
1 1360 . 5 1 1 A 125 125 VAL HA H 134 5.859 5.584 0.275 1
1 1368 . 5 1 1 A 125 125 VAL CA C 134 57.880 59.466 -1.586 1
1 1369 . 5 1 1 A 125 125 VAL CB C 134 36.990 35.932 1.058 1
1 1372 . 5 1 1 A 125 125 VAL N N 134 117.895 121.482 -3.587 1
1 1373 . 5 1 1 A 126 126 SER H H 135 8.746 8.774 -0.028 1
1 1374 . 5 1 1 A 126 126 SER HA H 135 4.881 5.270 -0.389 1
1 1377 . 5 1 1 A 126 126 SER CA C 135 56.860 56.893 -0.033 1
1 1378 . 5 1 1 A 126 126 SER CB C 135 66.695 65.847 0.848 1
1 1379 . 5 1 1 A 126 126 SER N N 135 112.967 115.237 -2.270 1
1 1380 . 5 1 1 A 127 127 LEU H H 136 9.710 8.984 0.726 1
1 1381 . 5 1 1 A 127 127 LEU HA H 136 5.244 4.964 0.280 1
1 1390 . 5 1 1 A 127 127 LEU CA C 136 54.436 53.546 0.890 1
1 1391 . 5 1 1 A 127 127 LEU CB C 136 46.137 42.356 3.781 1
1 1395 . 5 1 1 A 127 127 LEU N N 136 125.760 126.580 -0.820 1
1 1396 . 5 1 1 A 128 128 GLN H H 137 9.256 8.284 0.972 1
1 1397 . 5 1 1 A 128 128 GLN HA H 137 5.128 5.758 -0.630 1
1 1404 . 5 1 1 A 128 128 GLN CA C 137 54.063 54.474 -0.411 1
1 1405 . 5 1 1 A 128 128 GLN CB C 137 34.063 32.409 1.654 1
1 1407 . 5 1 1 A 128 128 GLN N N 137 125.526 125.878 -0.352 1
1 1409 . 5 1 1 A 129 129 SER H H 138 8.222 8.245 -0.023 1
1 1410 . 5 1 1 A 129 129 SER HA H 138 4.476 4.393 0.083 1
1 1413 . 5 1 1 A 129 129 SER CA C 138 60.814 58.793 2.021 1
1 1414 . 5 1 1 A 129 129 SER CB C 138 63.116 63.305 -0.189 1
1 1415 . 5 1 1 A 129 129 SER N N 138 125.620 120.792 4.828 1
1 1416 . 5 1 1 A 130 130 ARG H H 139 8.032 8.563 -0.531 1
1 1417 . 5 1 1 A 130 130 ARG HA H 139 4.601 4.699 -0.098 1
1 1424 . 5 1 1 A 130 130 ARG CA C 139 53.934 55.712 -1.778 1
1 1425 . 5 1 1 A 130 130 ARG CB C 139 32.334 31.495 0.839 1
1 1428 . 5 1 1 A 130 130 ARG N N 139 123.136 126.899 -3.763 1
1 6 . 6 1 1 A 2 2 PRO HA H 11 4.498 4.912 -0.414 1
1 11 . 6 1 1 A 2 2 PRO CA C 11 63.103 62.818 0.285 1
1 12 . 6 1 1 A 2 2 PRO CB C 11 32.993 33.121 -0.128 1
1 15 . 6 1 1 A 3 3 VAL H H 12 8.356 8.342 0.014 1
1 16 . 6 1 1 A 3 3 VAL HA H 12 4.370 4.929 -0.559 1
1 24 . 6 1 1 A 3 3 VAL CA C 12 60.982 59.196 1.786 1
1 25 . 6 1 1 A 3 3 VAL CB C 12 34.005 34.869 -0.864 1
1 28 . 6 1 1 A 3 3 VAL N N 12 119.528 115.316 4.212 1
1 29 . 6 1 1 A 4 4 LYS H H 13 8.542 8.885 -0.343 1
1 30 . 6 1 1 A 4 4 LYS HA H 13 4.752 4.685 0.067 1
1 38 . 6 1 1 A 4 4 LYS CA C 13 55.339 55.711 -0.372 1
1 39 . 6 1 1 A 4 4 LYS CB C 13 33.640 33.609 0.031 1
1 43 . 6 1 1 A 4 4 LYS N N 13 125.901 124.831 1.070 1
1 44 . 6 1 1 A 5 5 LEU H H 14 8.887 8.974 -0.087 1
1 45 . 6 1 1 A 5 5 LEU HA H 14 4.927 5.048 -0.121 1
1 51 . 6 1 1 A 5 5 LEU CA C 14 52.944 53.857 -0.913 1
1 52 . 6 1 1 A 5 5 LEU CB C 14 47.069 44.468 2.601 1
1 54 . 6 1 1 A 5 5 LEU N N 14 126.276 129.094 -2.818 1
1 55 . 6 1 1 A 6 6 ARG H H 15 9.361 8.625 0.736 1
1 56 . 6 1 1 A 6 6 ARG HA H 15 5.205 5.186 0.019 1
1 61 . 6 1 1 A 6 6 ARG CA C 15 55.064 55.230 -0.166 1
1 62 . 6 1 1 A 6 6 ARG CB C 15 31.979 30.658 1.321 1
1 64 . 6 1 1 A 6 6 ARG N N 15 123.745 126.381 -2.636 1
1 65 . 6 1 1 A 7 7 LEU H H 16 9.694 8.986 0.708 1
1 66 . 6 1 1 A 7 7 LEU HA H 16 5.437 5.039 0.398 1
1 73 . 6 1 1 A 7 7 LEU CA C 16 53.777 53.522 0.255 1
1 74 . 6 1 1 A 7 7 LEU CB C 16 45.577 44.281 1.296 1
1 77 . 6 1 1 A 7 7 LEU N N 16 111.467 127.506 -16.039 1
1 78 . 6 1 1 A 8 8 THR H H 17 9.470 9.214 0.256 1
1 79 . 6 1 1 A 8 8 THR HA H 17 4.904 5.032 -0.128 1
1 84 . 6 1 1 A 8 8 THR CA C 17 62.827 62.358 0.469 1
1 85 . 6 1 1 A 8 8 THR CB C 17 69.540 69.282 0.258 1
1 87 . 6 1 1 A 8 8 THR N N 17 124.589 124.034 0.555 1
1 88 . 6 1 1 A 9 9 VAL H H 18 9.339 9.307 0.032 1
1 89 . 6 1 1 A 9 9 VAL HA H 18 4.374 4.218 0.156 1
1 97 . 6 1 1 A 9 9 VAL CA C 18 61.708 63.123 -1.415 1
1 98 . 6 1 1 A 9 9 VAL CB C 18 31.021 30.741 0.280 1
1 101 . 6 1 1 A 9 9 VAL N N 18 127.963 128.062 -0.099 1
1 102 . 6 1 1 A 10 10 LEU H H 19 8.957 8.409 0.548 1
1 103 . 6 1 1 A 10 10 LEU HA H 19 4.334 4.283 0.051 1
1 113 . 6 1 1 A 10 10 LEU CA C 19 59.232 57.873 1.359 1
1 114 . 6 1 1 A 10 10 LEU CB C 19 43.525 42.727 0.798 1
1 118 . 6 1 1 A 10 10 LEU N N 19 127.775 129.444 -1.669 1
1 119 . 6 1 1 A 11 11 CYS H H 20 8.038 7.528 0.510 1
1 120 . 6 1 1 A 11 11 CYS HA H 20 5.152 4.647 0.505 1
1 123 . 6 1 1 A 11 11 CYS CA C 20 55.928 57.224 -1.296 1
1 124 . 6 1 1 A 11 11 CYS CB C 20 30.655 30.144 0.511 1
1 125 . 6 1 1 A 11 11 CYS N N 20 109.968 112.756 -2.788 1
1 126 . 6 1 1 A 12 12 ALA H H 21 8.485 8.429 0.056 1
1 127 . 6 1 1 A 12 12 ALA HA H 21 5.397 5.352 0.045 1
1 131 . 6 1 1 A 12 12 ALA CA C 21 50.707 50.584 0.123 1
1 132 . 6 1 1 A 12 12 ALA CB C 21 22.550 23.387 -0.837 1
1 133 . 6 1 1 A 12 12 ALA N N 21 119.247 123.459 -4.212 1
1 134 . 6 1 1 A 13 13 LYS H H 22 8.905 8.787 0.118 1
1 135 . 6 1 1 A 13 13 LYS HA H 22 5.144 4.707 0.437 1
1 141 . 6 1 1 A 13 13 LYS CA C 22 54.063 54.800 -0.737 1
1 142 . 6 1 1 A 13 13 LYS CB C 22 37.217 36.055 1.162 1
1 146 . 6 1 1 A 13 13 LYS N N 22 117.934 119.653 -1.719 1
1 147 . 6 1 1 A 14 14 ASN H H 23 9.099 9.009 0.090 1
1 148 . 6 1 1 A 14 14 ASN HA H 23 4.187 4.314 -0.127 1
1 153 . 6 1 1 A 14 14 ASN CA C 23 53.735 53.847 -0.112 1
1 154 . 6 1 1 A 14 14 ASN CB C 23 37.736 37.000 0.736 1
1 155 . 6 1 1 A 14 14 ASN N N 23 118.684 119.943 -1.259 1
1 157 . 6 1 1 A 15 15 LEU H H 24 8.294 7.914 0.380 1
1 158 . 6 1 1 A 15 15 LEU HA H 24 5.161 4.471 0.690 1
1 165 . 6 1 1 A 15 15 LEU CA C 24 55.261 54.687 0.574 1
1 166 . 6 1 1 A 15 15 LEU CB C 24 42.966 42.334 0.632 1
1 169 . 6 1 1 A 15 15 LEU N N 24 114.373 122.300 -7.927 1
1 170 . 6 1 1 A 16 16 VAL H H 25 8.533 8.637 -0.104 1
1 171 . 6 1 1 A 16 16 VAL HA H 25 3.635 4.029 -0.394 1
1 179 . 6 1 1 A 16 16 VAL CA C 25 62.318 62.960 -0.642 1
1 180 . 6 1 1 A 16 16 VAL CB C 25 33.064 32.484 0.580 1
1 183 . 6 1 1 A 16 16 VAL N N 25 119.200 125.336 -6.136 1
1 184 . 6 1 1 A 17 17 LYS H H 26 7.950 8.341 -0.391 1
1 185 . 6 1 1 A 17 17 LYS HA H 26 4.302 4.037 0.265 1
1 192 . 6 1 1 A 17 17 LYS CA C 26 54.150 58.908 -4.758 1
1 193 . 6 1 1 A 17 17 LYS CB C 26 33.826 32.186 1.640 1
1 197 . 6 1 1 A 17 17 LYS N N 26 128.056 126.683 1.373 1
1 198 . 6 1 1 A 18 18 LYS H H 27 8.549 7.866 0.683 1
1 199 . 6 1 1 A 18 18 LYS HA H 27 4.078 3.918 0.160 1
1 207 . 6 1 1 A 18 18 LYS CA C 27 58.626 58.667 -0.041 1
1 208 . 6 1 1 A 18 18 LYS CB C 27 33.826 31.023 2.803 1
1 211 . 6 1 1 A 18 18 LYS N N 27 125.760 114.408 11.352 1
1 212 . 6 1 1 A 19 19 ASP H H 28 8.438 8.441 -0.003 1
1 213 . 6 1 1 A 19 19 ASP HA H 28 4.801 4.619 0.182 1
1 216 . 6 1 1 A 19 19 ASP CA C 28 52.964 53.176 -0.212 1
1 217 . 6 1 1 A 19 19 ASP CB C 28 43.518 42.034 1.484 1
1 218 . 6 1 1 A 19 19 ASP N N 28 119.247 119.069 0.178 1
1 219 . 6 1 1 A 20 20 PHE H H 29 8.506 7.928 0.578 1
1 220 . 6 1 1 A 20 20 PHE HA H 29 4.049 4.462 -0.413 1
1 227 . 6 1 1 A 20 20 PHE CA C 29 60.767 57.546 3.221 1
1 228 . 6 1 1 A 20 20 PHE CB C 29 39.305 39.583 -0.278 1
1 231 . 6 1 1 A 20 20 PHE N N 29 122.011 123.997 -1.986 1
1 232 . 6 1 1 A 21 21 PHE H H 30 8.350 8.603 -0.253 1
1 233 . 6 1 1 A 21 21 PHE HA H 30 4.677 4.167 0.510 1
1 240 . 6 1 1 A 21 21 PHE CA C 30 57.789 59.818 -2.029 1
1 241 . 6 1 1 A 21 21 PHE CB C 30 40.824 36.858 3.966 1
1 244 . 6 1 1 A 21 21 PHE N N 30 113.764 115.769 -2.005 1
1 245 . 6 1 1 A 22 22 ARG H H 31 7.631 8.217 -0.586 1
1 246 . 6 1 1 A 22 22 ARG HA H 31 4.614 4.486 0.128 1
1 252 . 6 1 1 A 22 22 ARG CA C 31 55.325 56.090 -0.765 1
1 253 . 6 1 1 A 22 22 ARG CB C 31 33.640 32.052 1.588 1
1 256 . 6 1 1 A 22 22 ARG N N 31 118.778 117.770 1.008 1
1 257 . 6 1 1 A 23 23 LEU H H 32 8.699 7.872 0.827 1
1 258 . 6 1 1 A 23 23 LEU HA H 32 4.509 4.519 -0.010 1
1 268 . 6 1 1 A 23 23 LEU CA C 32 52.758 56.292 -3.534 1
1 269 . 6 1 1 A 23 23 LEU CB C 32 42.593 41.192 1.401 1
1 273 . 6 1 1 A 23 23 LEU N N 32 123.464 117.789 5.675 1
1 274 . 6 1 1 A 24 24 PRO HA H 33 4.648 4.832 -0.184 1
1 281 . 6 1 1 A 24 24 PRO CA C 33 62.753 62.222 0.531 1
1 282 . 6 1 1 A 24 24 PRO CB C 33 33.965 32.578 1.387 1
1 285 . 6 1 1 A 25 25 ASP H H 34 7.463 8.553 -1.090 1
1 286 . 6 1 1 A 25 25 ASP HA H 34 6.052 5.919 0.133 1
1 289 . 6 1 1 A 25 25 ASP CA C 34 51.080 51.848 -0.768 1
1 290 . 6 1 1 A 25 25 ASP CB C 34 42.779 41.763 1.016 1
1 291 . 6 1 1 A 25 25 ASP N N 34 117.091 121.166 -4.075 1
1 292 . 6 1 1 A 26 26 PRO HA H 35 5.968 5.123 0.845 1
1 299 . 6 1 1 A 26 26 PRO CA C 35 62.827 63.054 -0.227 1
1 300 . 6 1 1 A 26 26 PRO CB C 35 35.132 32.699 2.433 1
1 303 . 6 1 1 A 27 27 PHE H H 36 9.284 8.822 0.462 1
1 304 . 6 1 1 A 27 27 PHE HA H 36 5.009 5.245 -0.236 1
1 312 . 6 1 1 A 27 27 PHE CA C 36 56.301 56.020 0.281 1
1 313 . 6 1 1 A 27 27 PHE CB C 36 42.689 41.202 1.487 1
1 317 . 6 1 1 A 27 27 PHE N N 36 120.090 118.849 1.241 1
1 318 . 6 1 1 A 28 28 ALA H H 37 8.408 8.599 -0.191 1
1 319 . 6 1 1 A 28 28 ALA HA H 37 5.481 5.174 0.307 1
1 323 . 6 1 1 A 28 28 ALA CA C 37 49.186 49.670 -0.484 1
1 324 . 6 1 1 A 28 28 ALA CB C 37 20.389 22.534 -2.145 1
1 325 . 6 1 1 A 28 28 ALA N N 37 122.433 121.039 1.394 1
1 326 . 6 1 1 A 29 29 LYS H H 38 9.617 8.885 0.732 1
1 327 . 6 1 1 A 29 29 LYS HA H 38 5.267 5.273 -0.006 1
1 335 . 6 1 1 A 29 29 LYS CA C 38 54.901 54.830 0.071 1
1 336 . 6 1 1 A 29 29 LYS CB C 38 36.624 34.718 1.906 1
1 340 . 6 1 1 A 29 29 LYS N N 38 121.964 119.426 2.538 1
1 341 . 6 1 1 A 30 30 VAL H H 39 9.159 8.741 0.418 1
1 342 . 6 1 1 A 30 30 VAL HA H 39 4.494 4.452 0.042 1
1 350 . 6 1 1 A 30 30 VAL CA C 39 61.335 61.934 -0.599 1
1 351 . 6 1 1 A 30 30 VAL CB C 39 34.954 31.735 3.219 1
1 354 . 6 1 1 A 30 30 VAL N N 39 124.497 125.746 -1.249 1
1 355 . 6 1 1 A 31 31 VAL H H 40 8.659 8.661 -0.002 1
1 356 . 6 1 1 A 31 31 VAL HA H 40 5.091 5.102 -0.011 1
1 364 . 6 1 1 A 31 31 VAL CA C 40 59.898 59.159 0.739 1
1 365 . 6 1 1 A 31 31 VAL CB C 40 36.959 35.633 1.326 1
1 368 . 6 1 1 A 31 31 VAL N N 40 124.589 120.835 3.754 1
1 369 . 6 1 1 A 32 32 VAL H H 41 7.786 8.620 -0.834 1
1 370 . 6 1 1 A 32 32 VAL HA H 41 4.660 4.529 0.131 1
1 378 . 6 1 1 A 32 32 VAL CA C 41 62.268 61.199 1.069 1
1 379 . 6 1 1 A 32 32 VAL CB C 41 30.995 32.582 -1.587 1
1 382 . 6 1 1 A 32 32 VAL N N 41 125.385 123.304 2.081 1
1 383 . 6 1 1 A 33 33 ASP H H 42 8.568 8.632 -0.064 1
1 384 . 6 1 1 A 33 33 ASP HA H 42 4.310 4.699 -0.389 1
1 386 . 6 1 1 A 33 33 ASP CA C 42 57.321 54.552 2.769 1
1 387 . 6 1 1 A 33 33 ASP CB C 42 40.727 39.661 1.066 1
1 388 . 6 1 1 A 33 33 ASP N N 42 130.868 128.545 2.323 1
1 389 . 6 1 1 A 34 34 GLY HA2 H 43 4.230 4.057 0.173 1
1 390 . 6 1 1 A 34 34 GLY HA3 H 43 3.818 4.062 -0.244 1
1 391 . 6 1 1 A 34 34 GLY CA C 43 46.510 45.255 1.255 1
1 392 . 6 1 1 A 35 35 SER H H 44 8.049 8.081 -0.032 1
1 393 . 6 1 1 A 35 35 SER HA H 44 4.928 4.782 0.146 1
1 396 . 6 1 1 A 35 35 SER CA C 44 58.067 58.697 -0.630 1
1 397 . 6 1 1 A 35 35 SER CB C 44 67.393 65.732 1.661 1
1 398 . 6 1 1 A 35 35 SER N N 44 115.029 116.032 -1.003 1
1 399 . 6 1 1 A 36 36 GLY H H 45 8.637 8.053 0.584 1
1 400 . 6 1 1 A 36 36 GLY HA2 H 45 4.338 3.933 0.405 1
1 401 . 6 1 1 A 36 36 GLY HA3 H 45 3.884 3.933 -0.049 1
1 402 . 6 1 1 A 36 36 GLY CA C 45 46.137 45.301 0.836 1
1 403 . 6 1 1 A 36 36 GLY N N 45 109.265 110.054 -0.789 1
1 404 . 6 1 1 A 37 37 GLN H H 46 8.329 7.920 0.409 1
1 405 . 6 1 1 A 37 37 GLN HA H 46 4.339 4.306 0.033 1
1 412 . 6 1 1 A 37 37 GLN CA C 46 56.002 57.105 -1.103 1
1 413 . 6 1 1 A 37 37 GLN CB C 46 30.241 29.656 0.585 1
1 415 . 6 1 1 A 37 37 GLN N N 46 120.699 120.559 0.140 1
1 417 . 6 1 1 A 38 38 CYS H H 47 7.787 8.456 -0.669 1
1 418 . 6 1 1 A 38 38 CYS HA H 47 5.257 5.607 -0.350 1
1 420 . 6 1 1 A 38 38 CYS CA C 47 56.761 56.877 -0.116 1
1 421 . 6 1 1 A 38 38 CYS CB C 47 29.250 30.834 -1.584 1
1 422 . 6 1 1 A 38 38 CYS N N 47 124.214 123.294 0.920 1
1 423 . 6 1 1 A 39 39 HIS H H 48 8.906 8.974 -0.068 1
1 424 . 6 1 1 A 39 39 HIS HA H 48 4.730 5.170 -0.440 1
1 428 . 6 1 1 A 39 39 HIS CA C 48 54.888 54.442 0.446 1
1 429 . 6 1 1 A 39 39 HIS CB C 48 34.688 34.891 -0.203 1
1 431 . 6 1 1 A 39 39 HIS N N 48 125.807 122.140 3.667 1
1 432 . 6 1 1 A 40 40 SER H H 49 8.728 8.949 -0.221 1
1 433 . 6 1 1 A 40 40 SER HA H 49 5.732 5.464 0.268 1
1 436 . 6 1 1 A 40 40 SER CA C 49 57.041 57.417 -0.376 1
1 437 . 6 1 1 A 40 40 SER CB C 49 66.274 66.516 -0.242 1
1 438 . 6 1 1 A 40 40 SER N N 49 116.034 114.521 1.513 1
1 439 . 6 1 1 A 41 41 THR H H 50 9.212 8.788 0.424 1
1 440 . 6 1 1 A 41 41 THR HA H 50 4.477 4.944 -0.467 1
1 445 . 6 1 1 A 41 41 THR CA C 50 61.457 59.841 1.616 1
1 446 . 6 1 1 A 41 41 THR CB C 50 72.337 70.715 1.622 1
1 448 . 6 1 1 A 41 41 THR N N 50 115.404 112.713 2.691 1
1 449 . 6 1 1 A 42 42 ASP H H 51 9.424 8.691 0.733 1
1 450 . 6 1 1 A 42 42 ASP HA H 51 4.676 4.587 0.089 1
1 453 . 6 1 1 A 42 42 ASP CA C 51 54.996 55.112 -0.116 1
1 454 . 6 1 1 A 42 42 ASP CB C 51 41.543 41.659 -0.116 1
1 455 . 6 1 1 A 42 42 ASP N N 51 119.340 122.450 -3.110 1
1 456 . 6 1 1 A 43 43 THR H H 52 8.650 8.565 0.085 1
1 457 . 6 1 1 A 43 43 THR HA H 52 4.858 5.214 -0.356 1
1 462 . 6 1 1 A 43 43 THR CA C 52 62.637 61.969 0.668 1
1 463 . 6 1 1 A 43 43 THR CB C 52 70.191 70.575 -0.384 1
1 465 . 6 1 1 A 43 43 THR N N 52 117.836 117.611 0.225 1
1 466 . 6 1 1 A 44 44 VAL H H 53 8.266 9.311 -1.045 1
1 467 . 6 1 1 A 44 44 VAL HA H 53 4.363 4.532 -0.169 1
1 475 . 6 1 1 A 44 44 VAL CA C 53 61.086 61.183 -0.097 1
1 476 . 6 1 1 A 44 44 VAL CB C 53 33.361 33.076 0.285 1
1 479 . 6 1 1 A 44 44 VAL N N 53 127.775 126.214 1.561 1
1 480 . 6 1 1 A 45 45 LYS H H 54 8.163 8.619 -0.456 1
1 481 . 6 1 1 A 45 45 LYS HA H 54 4.229 4.627 -0.398 1
1 487 . 6 1 1 A 45 45 LYS CA C 54 56.627 56.675 -0.048 1
1 488 . 6 1 1 A 45 45 LYS CB C 54 33.739 32.910 0.829 1
1 492 . 6 1 1 A 45 45 LYS N N 54 120.934 127.898 -6.964 1
1 493 . 6 1 1 A 46 46 ASN H H 55 9.642 9.034 0.608 1
1 494 . 6 1 1 A 46 46 ASN HA H 55 4.150 4.494 -0.344 1
1 499 . 6 1 1 A 46 46 ASN CA C 55 54.029 53.839 0.190 1
1 500 . 6 1 1 A 46 46 ASN CB C 55 38.668 36.058 2.610 1
1 501 . 6 1 1 A 46 46 ASN N N 55 121.215 122.150 -0.935 1
1 503 . 6 1 1 A 47 47 THR H H 56 8.246 7.662 0.584 1
1 504 . 6 1 1 A 47 47 THR HA H 56 4.661 4.801 -0.140 1
1 509 . 6 1 1 A 47 47 THR CA C 56 60.963 60.494 0.469 1
1 510 . 6 1 1 A 47 47 THR CB C 56 68.512 69.457 -0.945 1
1 512 . 6 1 1 A 47 47 THR N N 56 111.936 118.023 -6.087 1
1 513 . 6 1 1 A 48 48 LEU H H 57 8.245 8.524 -0.279 1
1 514 . 6 1 1 A 48 48 LEU HA H 57 4.410 4.627 -0.217 1
1 524 . 6 1 1 A 48 48 LEU CA C 57 53.641 53.830 -0.189 1
1 525 . 6 1 1 A 48 48 LEU CB C 57 41.570 41.882 -0.312 1
1 529 . 6 1 1 A 48 48 LEU N N 57 122.433 124.417 -1.984 1
1 530 . 6 1 1 A 49 49 ASP H H 58 8.544 7.800 0.744 1
1 531 . 6 1 1 A 49 49 ASP HA H 58 5.419 4.874 0.545 1
1 534 . 6 1 1 A 49 49 ASP CA C 58 51.826 51.852 -0.026 1
1 535 . 6 1 1 A 49 49 ASP CB C 58 44.085 41.032 3.053 1
1 536 . 6 1 1 A 49 49 ASP N N 58 116.903 119.377 -2.474 1
1 537 . 6 1 1 A 50 50 PRO HA H 59 3.790 4.511 -0.721 1
1 543 . 6 1 1 A 50 50 PRO CA C 59 63.219 62.049 1.170 1
1 544 . 6 1 1 A 50 50 PRO CB C 59 32.661 32.866 -0.205 1
1 547 . 6 1 1 A 51 51 LYS H H 60 7.806 7.814 -0.008 1
1 548 . 6 1 1 A 51 51 LYS HA H 60 4.224 4.606 -0.382 1
1 555 . 6 1 1 A 51 51 LYS CA C 60 55.521 54.806 0.715 1
1 556 . 6 1 1 A 51 51 LYS CB C 60 33.826 35.821 -1.995 1
1 560 . 6 1 1 A 51 51 LYS N N 60 119.996 116.742 3.254 1
1 561 . 6 1 1 A 52 52 TRP H H 61 7.791 8.230 -0.439 1
1 562 . 6 1 1 A 52 52 TRP HA H 61 4.824 4.907 -0.083 1
1 570 . 6 1 1 A 52 52 TRP CA C 61 60.590 57.671 2.919 1
1 571 . 6 1 1 A 52 52 TRP CB C 61 29.715 31.567 -1.852 1
1 576 . 6 1 1 A 52 52 TRP N N 61 122.386 119.828 2.558 1
1 578 . 6 1 1 A 53 53 ASN H H 62 9.040 8.163 0.877 1
1 579 . 6 1 1 A 53 53 ASN HA H 62 4.419 4.415 0.004 1
1 584 . 6 1 1 A 53 53 ASN CA C 62 53.789 54.201 -0.412 1
1 585 . 6 1 1 A 53 53 ASN CB C 62 37.922 37.488 0.434 1
1 586 . 6 1 1 A 53 53 ASN N N 62 117.185 118.355 -1.170 1
1 588 . 6 1 1 A 54 54 GLN H H 63 7.512 7.415 0.097 1
1 589 . 6 1 1 A 54 54 GLN HA H 63 4.584 4.604 -0.020 1
1 596 . 6 1 1 A 54 54 GLN CA C 63 55.008 54.497 0.511 1
1 597 . 6 1 1 A 54 54 GLN CB C 63 34.938 31.288 3.650 1
1 599 . 6 1 1 A 54 54 GLN N N 63 116.341 117.803 -1.462 1
1 601 . 6 1 1 A 55 55 HIS H H 64 7.782 8.039 -0.257 1
1 602 . 6 1 1 A 55 55 HIS HA H 64 5.796 6.034 -0.238 1
1 606 . 6 1 1 A 55 55 HIS CA C 64 53.059 53.362 -0.303 1
1 607 . 6 1 1 A 55 55 HIS CB C 64 34.378 33.307 1.071 1
1 609 . 6 1 1 A 55 55 HIS N N 64 118.403 119.764 -1.361 1
1 610 . 6 1 1 A 56 56 TYR H H 65 8.657 8.991 -0.334 1
1 611 . 6 1 1 A 56 56 TYR HA H 65 4.404 4.969 -0.565 1
1 618 . 6 1 1 A 56 56 TYR CA C 65 57.430 56.408 1.022 1
1 619 . 6 1 1 A 56 56 TYR CB C 65 42.958 41.823 1.135 1
1 622 . 6 1 1 A 56 56 TYR N N 65 116.435 119.109 -2.674 1
1 623 . 6 1 1 A 57 57 ASP H H 66 8.772 8.673 0.099 1
1 624 . 6 1 1 A 57 57 ASP HA H 66 5.283 5.212 0.071 1
1 627 . 6 1 1 A 57 57 ASP CA C 66 54.250 53.505 0.745 1
1 628 . 6 1 1 A 57 57 ASP CB C 66 40.914 41.475 -0.561 1
1 629 . 6 1 1 A 57 57 ASP N N 66 124.776 123.466 1.310 1
1 630 . 6 1 1 A 58 58 LEU H H 67 9.175 8.388 0.787 1
1 631 . 6 1 1 A 58 58 LEU HA H 67 4.589 4.790 -0.201 1
1 641 . 6 1 1 A 58 58 LEU CA C 67 53.131 53.534 -0.403 1
1 642 . 6 1 1 A 58 58 LEU CB C 67 45.060 45.017 0.043 1
1 645 . 6 1 1 A 58 58 LEU N N 67 124.558 124.645 -0.087 1
1 646 . 6 1 1 A 59 59 TYR H H 68 8.877 8.554 0.323 1
1 647 . 6 1 1 A 59 59 TYR HA H 68 5.096 5.180 -0.084 1
1 654 . 6 1 1 A 59 59 TYR CA C 68 57.606 58.390 -0.784 1
1 655 . 6 1 1 A 59 59 TYR CB C 68 39.422 39.626 -0.204 1
1 658 . 6 1 1 A 59 59 TYR N N 68 121.215 122.409 -1.194 1
1 659 . 6 1 1 A 60 60 ILE H H 69 9.162 8.895 0.267 1
1 660 . 6 1 1 A 60 60 ILE HA H 69 4.551 4.603 -0.052 1
1 670 . 6 1 1 A 60 60 ILE CA C 69 59.471 59.947 -0.476 1
1 671 . 6 1 1 A 60 60 ILE CB C 69 40.500 39.669 0.831 1
1 675 . 6 1 1 A 60 60 ILE N N 69 124.823 123.666 1.157 1
1 676 . 6 1 1 A 61 61 GLY H H 70 9.960 8.813 1.147 1
1 677 . 6 1 1 A 61 61 GLY HA2 H 70 4.517 4.115 0.402 1
1 678 . 6 1 1 A 61 61 GLY HA3 H 70 3.881 4.116 -0.235 1
1 679 . 6 1 1 A 61 61 GLY CA C 70 44.083 44.511 -0.428 1
1 680 . 6 1 1 A 61 61 GLY N N 70 117.841 115.096 2.745 1
1 681 . 6 1 1 A 62 62 LYS H H 71 8.605 8.802 -0.197 1
1 682 . 6 1 1 A 62 62 LYS HA H 71 4.090 3.925 0.165 1
1 687 . 6 1 1 A 62 62 LYS CA C 71 59.447 59.133 0.314 1
1 688 . 6 1 1 A 62 62 LYS CB C 71 33.453 32.187 1.266 1
1 692 . 6 1 1 A 62 62 LYS N N 71 119.434 119.906 -0.472 1
1 693 . 6 1 1 A 63 63 SER H H 72 8.544 8.011 0.533 1
1 694 . 6 1 1 A 63 63 SER HA H 72 4.811 4.673 0.138 1
1 696 . 6 1 1 A 63 63 SER CA C 72 57.606 56.808 0.798 1
1 697 . 6 1 1 A 63 63 SER CB C 72 64.013 63.401 0.612 1
1 698 . 6 1 1 A 63 63 SER N N 72 111.842 113.919 -2.077 1
1 699 . 6 1 1 A 64 64 ASP H H 73 7.247 8.760 -1.513 1
1 700 . 6 1 1 A 64 64 ASP HA H 73 4.867 5.583 -0.716 1
1 702 . 6 1 1 A 64 64 ASP CA C 73 55.500 52.648 2.852 1
1 703 . 6 1 1 A 64 64 ASP CB C 73 43.331 44.834 -1.503 1
1 704 . 6 1 1 A 64 64 ASP N N 73 121.964 126.604 -4.640 1
1 705 . 6 1 1 A 65 65 SER H H 74 8.742 8.684 0.058 1
1 706 . 6 1 1 A 65 65 SER HA H 74 5.074 5.043 0.031 1
1 708 . 6 1 1 A 65 65 SER CA C 74 56.301 57.590 -1.289 1
1 709 . 6 1 1 A 65 65 SER CB C 74 67.579 66.627 0.952 1
1 710 . 6 1 1 A 65 65 SER N N 74 111.936 117.064 -5.128 1
1 711 . 6 1 1 A 66 66 VAL H H 75 8.622 8.373 0.249 1
1 712 . 6 1 1 A 66 66 VAL HA H 75 5.095 5.017 0.078 1
1 720 . 6 1 1 A 66 66 VAL CA C 75 60.217 60.515 -0.298 1
1 721 . 6 1 1 A 66 66 VAL CB C 75 36.617 35.630 0.987 1
1 724 . 6 1 1 A 66 66 VAL N N 75 119.422 122.242 -2.820 1
1 725 . 6 1 1 A 67 67 THR H H 76 9.152 8.646 0.506 1
1 726 . 6 1 1 A 67 67 THR HA H 76 5.199 4.957 0.242 1
1 731 . 6 1 1 A 67 67 THR CA C 76 63.014 61.851 1.163 1
1 732 . 6 1 1 A 67 67 THR CB C 76 69.703 71.240 -1.537 1
1 734 . 6 1 1 A 67 67 THR N N 76 123.839 122.599 1.240 1
1 735 . 6 1 1 A 68 68 ILE H H 77 9.106 8.848 0.258 1
1 736 . 6 1 1 A 68 68 ILE HA H 77 5.389 4.738 0.651 1
1 746 . 6 1 1 A 68 68 ILE CA C 77 59.844 60.306 -0.462 1
1 747 . 6 1 1 A 68 68 ILE CB C 77 40.347 38.947 1.400 1
1 751 . 6 1 1 A 68 68 ILE N N 77 129.275 129.180 0.095 1
1 752 . 6 1 1 A 69 69 SER H H 78 9.645 8.848 0.797 1
1 753 . 6 1 1 A 69 69 SER HA H 78 5.265 5.268 -0.003 1
1 756 . 6 1 1 A 69 69 SER CA C 78 56.114 57.072 -0.958 1
1 757 . 6 1 1 A 69 69 SER CB C 78 66.087 66.632 -0.545 1
1 758 . 6 1 1 A 69 69 SER N N 78 120.559 123.587 -3.028 1
1 759 . 6 1 1 A 70 70 VAL H H 79 8.482 8.211 0.271 1
1 760 . 6 1 1 A 70 70 VAL HA H 79 4.676 4.807 -0.131 1
1 768 . 6 1 1 A 70 70 VAL CA C 79 60.852 60.579 0.273 1
1 769 . 6 1 1 A 70 70 VAL CB C 79 32.992 34.877 -1.885 1
1 772 . 6 1 1 A 70 70 VAL N N 79 121.777 121.310 0.467 1
1 773 . 6 1 1 A 71 71 TRP H H 80 8.627 8.358 0.269 1
1 774 . 6 1 1 A 71 71 TRP HA H 80 4.930 5.047 -0.117 1
1 783 . 6 1 1 A 71 71 TRP CA C 80 55.182 55.151 0.031 1
1 784 . 6 1 1 A 71 71 TRP CB C 80 34.058 34.130 -0.072 1
1 790 . 6 1 1 A 71 71 TRP N N 80 124.474 126.503 -2.029 1
1 792 . 6 1 1 A 72 72 ASN H H 81 9.891 9.169 0.722 1
1 793 . 6 1 1 A 72 72 ASN HA H 81 4.789 5.175 -0.386 1
1 798 . 6 1 1 A 72 72 ASN CA C 81 51.049 53.193 -2.144 1
1 799 . 6 1 1 A 72 72 ASN CB C 81 39.091 38.191 0.900 1
1 800 . 6 1 1 A 72 72 ASN N N 81 116.435 121.499 -5.064 1
1 802 . 6 1 1 A 73 73 HIS H H 82 9.967 9.371 0.596 1
1 803 . 6 1 1 A 73 73 HIS HA H 82 4.499 4.287 0.212 1
1 806 . 6 1 1 A 73 73 HIS CA C 82 60.788 60.514 0.274 1
1 807 . 6 1 1 A 73 73 HIS CB C 82 32.327 30.543 1.784 1
1 808 . 6 1 1 A 73 73 HIS N N 82 127.963 125.645 2.318 1
1 809 . 6 1 1 A 74 74 LYS H H 83 7.764 8.345 -0.581 1
1 810 . 6 1 1 A 74 74 LYS HA H 83 4.297 3.930 0.367 1
1 817 . 6 1 1 A 74 74 LYS CA C 83 59.232 59.937 -0.705 1
1 818 . 6 1 1 A 74 74 LYS CB C 83 33.640 32.633 1.007 1
1 822 . 6 1 1 A 74 74 LYS N N 83 112.592 118.297 -5.705 1
1 823 . 6 1 1 A 75 75 LYS H H 84 7.626 7.749 -0.123 1
1 824 . 6 1 1 A 75 75 LYS HA H 84 4.607 4.182 0.425 1
1 832 . 6 1 1 A 75 75 LYS CA C 84 55.828 58.989 -3.161 1
1 833 . 6 1 1 A 75 75 LYS CB C 84 36.064 32.030 4.034 1
1 837 . 6 1 1 A 75 75 LYS N N 84 114.560 119.025 -4.465 1
1 838 . 6 1 1 A 76 76 ILE H H 85 7.021 7.837 -0.816 1
1 839 . 6 1 1 A 76 76 ILE HA H 85 4.132 4.343 -0.211 1
1 849 . 6 1 1 A 76 76 ILE CA C 85 64.013 64.089 -0.076 1
1 850 . 6 1 1 A 76 76 ILE CB C 85 39.146 37.495 1.651 1
1 854 . 6 1 1 A 76 76 ILE N N 85 113.811 116.825 -3.014 1
1 855 . 6 1 1 A 77 77 HIS H H 86 8.335 7.594 0.741 1
1 856 . 6 1 1 A 77 77 HIS HA H 86 4.612 4.184 0.428 1
1 859 . 6 1 1 A 77 77 HIS CA C 86 56.815 58.816 -2.001 1
1 860 . 6 1 1 A 77 77 HIS CB C 86 30.461 30.110 0.351 1
1 862 . 6 1 1 A 77 77 HIS N N 86 117.841 122.696 -4.855 1
1 863 . 6 1 1 A 78 78 LYS H H 87 7.587 7.477 0.110 1
1 864 . 6 1 1 A 78 78 LYS HA H 87 4.094 3.978 0.116 1
1 870 . 6 1 1 A 78 78 LYS CA C 87 57.628 59.778 -2.150 1
1 871 . 6 1 1 A 78 78 LYS CB C 87 32.893 32.656 0.237 1
1 875 . 6 1 1 A 78 78 LYS N N 87 120.652 118.633 2.019 1
1 876 . 6 1 1 A 79 79 LYS H H 88 7.585 7.403 0.182 1
1 877 . 6 1 1 A 79 79 LYS HA H 88 4.304 4.572 -0.268 1
1 883 . 6 1 1 A 79 79 LYS CA C 88 56.467 54.968 1.499 1
1 884 . 6 1 1 A 79 79 LYS CB C 88 34.013 35.587 -1.574 1
1 888 . 6 1 1 A 79 79 LYS N N 88 115.872 117.608 -1.736 1
1 889 . 6 1 1 A 80 80 GLN H H 89 8.625 8.466 0.159 1
1 890 . 6 1 1 A 80 80 GLN HA H 89 4.192 3.963 0.229 1
1 893 . 6 1 1 A 80 80 GLN CA C 89 57.590 57.648 -0.058 1
1 894 . 6 1 1 A 80 80 GLN CB C 89 28.331 28.300 0.031 1
1 896 . 6 1 1 A 80 80 GLN N N 89 121.308 121.538 -0.230 1
1 897 . 6 1 1 A 81 81 GLY H H 90 8.791 8.923 -0.132 1
1 898 . 6 1 1 A 81 81 GLY HA2 H 90 4.332 4.065 0.267 1
1 899 . 6 1 1 A 81 81 GLY HA3 H 90 3.850 4.155 -0.305 1
1 900 . 6 1 1 A 81 81 GLY CA C 90 45.950 45.383 0.567 1
1 901 . 6 1 1 A 81 81 GLY N N 90 112.984 114.804 -1.820 1
1 902 . 6 1 1 A 82 82 ALA H H 91 7.951 7.936 0.015 1
1 903 . 6 1 1 A 82 82 ALA HA H 91 4.485 4.134 0.351 1
1 907 . 6 1 1 A 82 82 ALA CA C 91 53.404 54.043 -0.639 1
1 908 . 6 1 1 A 82 82 ALA CB C 91 20.762 18.403 2.359 1
1 909 . 6 1 1 A 82 82 ALA N N 91 123.745 124.234 -0.489 1
1 910 . 6 1 1 A 83 83 GLY H H 92 8.860 8.986 -0.126 1
1 911 . 6 1 1 A 83 83 GLY HA2 H 92 4.270 4.090 0.180 1
1 912 . 6 1 1 A 83 83 GLY HA3 H 92 4.262 4.162 0.100 1
1 913 . 6 1 1 A 83 83 GLY CA C 92 46.689 46.340 0.349 1
1 914 . 6 1 1 A 83 83 GLY N N 92 105.564 111.274 -5.710 1
1 915 . 6 1 1 A 84 84 PHE H H 93 8.113 7.986 0.127 1
1 916 . 6 1 1 A 84 84 PHE HA H 93 3.440 4.490 -1.050 1
1 924 . 6 1 1 A 84 84 PHE CA C 93 59.932 56.391 3.541 1
1 925 . 6 1 1 A 84 84 PHE CB C 93 39.141 40.451 -1.310 1
1 929 . 6 1 1 A 84 84 PHE N N 93 121.215 119.749 1.466 1
1 930 . 6 1 1 A 85 85 LEU H H 94 8.204 8.010 0.194 1
1 931 . 6 1 1 A 85 85 LEU HA H 94 4.334 3.999 0.335 1
1 938 . 6 1 1 A 85 85 LEU CA C 94 53.569 56.352 -2.783 1
1 939 . 6 1 1 A 85 85 LEU CB C 94 43.255 42.223 1.032 1
1 942 . 6 1 1 A 85 85 LEU N N 94 125.432 128.510 -3.078 1
1 943 . 6 1 1 A 86 86 GLY HA2 H 95 4.222 3.611 0.611 1
1 944 . 6 1 1 A 86 86 GLY HA3 H 95 3.147 3.788 -0.641 1
1 945 . 6 1 1 A 86 86 GLY CA C 95 45.570 45.425 0.145 1
1 946 . 6 1 1 A 87 87 CYS H H 96 9.230 8.952 0.278 1
1 947 . 6 1 1 A 87 87 CYS HA H 96 5.838 5.342 0.496 1
1 949 . 6 1 1 A 87 87 CYS CA C 96 55.882 57.529 -1.647 1
1 950 . 6 1 1 A 87 87 CYS CB C 96 33.259 29.263 3.996 1
1 951 . 6 1 1 A 87 87 CYS N N 96 114.935 120.868 -5.933 1
1 952 . 6 1 1 A 88 88 VAL H H 97 9.242 9.061 0.181 1
1 953 . 6 1 1 A 88 88 VAL HA H 97 4.575 4.772 -0.197 1
1 961 . 6 1 1 A 88 88 VAL CA C 97 61.769 60.174 1.595 1
1 962 . 6 1 1 A 88 88 VAL CB C 97 35.684 33.963 1.721 1
1 965 . 6 1 1 A 88 88 VAL N N 97 115.966 125.836 -9.870 1
1 966 . 6 1 1 A 89 89 ARG H H 98 8.665 9.159 -0.494 1
1 967 . 6 1 1 A 89 89 ARG HA H 98 5.166 5.166 0.000 1
1 973 . 6 1 1 A 89 89 ARG CA C 98 54.929 54.365 0.564 1
1 974 . 6 1 1 A 89 89 ARG CB C 98 31.961 33.539 -1.578 1
1 977 . 6 1 1 A 89 89 ARG N N 98 125.526 129.705 -4.179 1
1 978 . 6 1 1 A 90 90 LEU H H 99 9.611 8.645 0.966 1
1 979 . 6 1 1 A 90 90 LEU HA H 99 4.644 5.229 -0.585 1
1 989 . 6 1 1 A 90 90 LEU CA C 99 53.217 52.913 0.304 1
1 990 . 6 1 1 A 90 90 LEU CB C 99 43.339 44.982 -1.643 1
1 994 . 6 1 1 A 90 90 LEU N N 99 127.119 127.271 -0.152 1
1 995 . 6 1 1 A 91 91 LEU H H 100 7.953 8.635 -0.682 1
1 996 . 6 1 1 A 91 91 LEU HA H 100 4.540 4.749 -0.209 1
1 1005 . 6 1 1 A 91 91 LEU CA C 100 54.523 53.834 0.689 1
1 1006 . 6 1 1 A 91 91 LEU CB C 100 42.593 42.850 -0.257 1
1 1010 . 6 1 1 A 91 91 LEU N N 100 122.527 124.795 -2.268 1
1 1011 . 6 1 1 A 92 92 SER H H 101 8.754 8.434 0.320 1
1 1012 . 6 1 1 A 92 92 SER HA H 101 3.950 4.156 -0.206 1
1 1013 . 6 1 1 A 92 92 SER CA C 101 63.171 61.583 1.588 1
1 1014 . 6 1 1 A 92 92 SER N N 101 115.966 116.299 -0.333 1
1 1015 . 6 1 1 A 93 93 ASN H H 102 7.765 8.299 -0.534 1
1 1016 . 6 1 1 A 93 93 ASN HA H 102 4.500 4.474 0.026 1
1 1020 . 6 1 1 A 93 93 ASN CA C 102 56.487 56.578 -0.091 1
1 1021 . 6 1 1 A 93 93 ASN CB C 102 37.514 38.075 -0.561 1
1 1022 . 6 1 1 A 93 93 ASN N N 102 116.950 120.781 -3.831 1
1 1024 . 6 1 1 A 94 94 ALA H H 103 7.345 7.745 -0.400 1
1 1025 . 6 1 1 A 94 94 ALA HA H 103 4.230 4.109 0.121 1
1 1029 . 6 1 1 A 94 94 ALA CA C 103 54.843 55.160 -0.317 1
1 1030 . 6 1 1 A 94 94 ALA CB C 103 19.643 18.194 1.449 1
1 1031 . 6 1 1 A 94 94 ALA N N 103 124.495 122.198 2.297 1
1 1032 . 6 1 1 A 95 95 ILE H H 104 8.322 8.266 0.056 1
1 1033 . 6 1 1 A 95 95 ILE HA H 104 3.280 3.631 -0.351 1
1 1043 . 6 1 1 A 95 95 ILE CA C 104 66.184 64.720 1.464 1
1 1044 . 6 1 1 A 95 95 ILE CB C 104 37.922 37.226 0.696 1
1 1048 . 6 1 1 A 95 95 ILE N N 104 119.310 119.387 -0.077 1
1 1049 . 6 1 1 A 96 96 ASN H H 105 7.815 8.151 -0.336 1
1 1050 . 6 1 1 A 96 96 ASN HA H 105 4.332 4.395 -0.063 1
1 1052 . 6 1 1 A 96 96 ASN CA C 105 56.487 56.513 -0.026 1
1 1053 . 6 1 1 A 96 96 ASN CB C 105 38.855 39.055 -0.200 1
1 1054 . 6 1 1 A 96 96 ASN N N 105 114.748 120.511 -5.763 1
1 1055 . 6 1 1 A 97 97 ARG H H 106 7.595 7.748 -0.153 1
1 1056 . 6 1 1 A 97 97 ARG HA H 106 4.257 4.097 0.160 1
1 1061 . 6 1 1 A 97 97 ARG CA C 106 58.294 58.955 -0.661 1
1 1062 . 6 1 1 A 97 97 ARG CB C 106 31.401 29.646 1.755 1
1 1065 . 6 1 1 A 97 97 ARG N N 106 117.934 118.497 -0.563 1
1 1066 . 6 1 1 A 98 98 LEU H H 107 8.179 8.468 -0.289 1
1 1067 . 6 1 1 A 98 98 LEU HA H 107 4.288 4.301 -0.013 1
1 1077 . 6 1 1 A 98 98 LEU CA C 107 55.735 57.913 -2.178 1
1 1078 . 6 1 1 A 98 98 LEU CB C 107 44.264 41.168 3.096 1
1 1082 . 6 1 1 A 98 98 LEU N N 107 116.341 119.421 -3.080 1
1 1083 . 6 1 1 A 99 99 LYS H H 108 8.058 8.617 -0.559 1
1 1084 . 6 1 1 A 99 99 LYS HA H 108 4.078 4.074 0.004 1
1 1091 . 6 1 1 A 99 99 LYS CA C 108 58.256 58.858 -0.602 1
1 1092 . 6 1 1 A 99 99 LYS CB C 108 32.520 32.016 0.504 1
1 1096 . 6 1 1 A 99 99 LYS N N 108 123.558 117.905 5.653 1
1 1097 . 6 1 1 A 100 100 ASP H H 109 9.305 7.434 1.871 1
1 1098 . 6 1 1 A 100 100 ASP HA H 109 4.672 4.460 0.212 1
1 1101 . 6 1 1 A 100 100 ASP CA C 109 57.047 56.229 0.818 1
1 1102 . 6 1 1 A 100 100 ASP CB C 109 39.041 40.724 -1.683 1
1 1103 . 6 1 1 A 100 100 ASP N N 109 115.779 119.886 -4.107 1
1 1104 . 6 1 1 A 101 101 THR H H 110 7.546 7.764 -0.218 1
1 1105 . 6 1 1 A 101 101 THR HA H 110 4.675 4.169 0.506 1
1 1110 . 6 1 1 A 101 101 THR CA C 110 61.895 63.654 -1.759 1
1 1111 . 6 1 1 A 101 101 THR CB C 110 70.432 69.664 0.768 1
1 1113 . 6 1 1 A 101 101 THR N N 110 129.087 110.956 18.131 1
1 1114 . 6 1 1 A 102 102 GLY H H 111 8.921 8.274 0.647 1
1 1115 . 6 1 1 A 102 102 GLY HA2 H 111 4.337 3.759 0.578 1
1 1116 . 6 1 1 A 102 102 GLY HA3 H 111 3.563 3.760 -0.197 1
1 1117 . 6 1 1 A 102 102 GLY CA C 111 44.062 45.341 -1.279 1
1 1118 . 6 1 1 A 102 102 GLY N N 111 112.780 110.862 1.918 1
1 1119 . 6 1 1 A 103 103 TYR H H 112 8.255 8.012 0.243 1
1 1120 . 6 1 1 A 103 103 TYR HA H 112 4.574 5.483 -0.909 1
1 1127 . 6 1 1 A 103 103 TYR CA C 112 59.745 56.477 3.268 1
1 1128 . 6 1 1 A 103 103 TYR CB C 112 38.295 41.778 -3.483 1
1 1131 . 6 1 1 A 103 103 TYR N N 112 117.653 118.531 -0.878 1
1 1132 . 6 1 1 A 104 104 GLN H H 113 9.435 9.066 0.369 1
1 1133 . 6 1 1 A 104 104 GLN HA H 113 4.659 5.015 -0.356 1
1 1140 . 6 1 1 A 104 104 GLN CA C 113 53.852 54.244 -0.392 1
1 1141 . 6 1 1 A 104 104 GLN CB C 113 31.128 31.726 -0.598 1
1 1143 . 6 1 1 A 104 104 GLN N N 113 121.964 123.680 -1.716 1
1 1145 . 6 1 1 A 105 105 ARG H H 114 8.670 8.944 -0.274 1
1 1146 . 6 1 1 A 105 105 ARG HA H 114 4.838 4.889 -0.051 1
1 1151 . 6 1 1 A 105 105 ARG CA C 114 55.090 55.394 -0.304 1
1 1152 . 6 1 1 A 105 105 ARG CB C 114 31.401 30.549 0.852 1
1 1155 . 6 1 1 A 105 105 ARG N N 114 122.246 123.882 -1.636 1
1 1156 . 6 1 1 A 106 106 LEU H H 115 9.269 8.845 0.424 1
1 1157 . 6 1 1 A 106 106 LEU HA H 115 4.843 4.868 -0.025 1
1 1163 . 6 1 1 A 106 106 LEU CA C 115 53.317 53.661 -0.344 1
1 1164 . 6 1 1 A 106 106 LEU CB C 115 44.570 42.818 1.752 1
1 1166 . 6 1 1 A 106 106 LEU N N 115 126.088 126.820 -0.732 1
1 1167 . 6 1 1 A 107 107 ASP H H 116 8.582 8.780 -0.198 1
1 1168 . 6 1 1 A 107 107 ASP HA H 116 4.748 4.811 -0.063 1
1 1171 . 6 1 1 A 107 107 ASP CA C 116 55.402 54.329 1.073 1
1 1172 . 6 1 1 A 107 107 ASP CB C 116 41.280 41.371 -0.091 1
1 1173 . 6 1 1 A 107 107 ASP N N 116 122.714 125.154 -2.440 1
1 1174 . 6 1 1 A 108 108 LEU H H 117 8.067 8.519 -0.452 1
1 1175 . 6 1 1 A 108 108 LEU HA H 117 4.195 4.542 -0.347 1
1 1185 . 6 1 1 A 108 108 LEU CA C 117 55.308 54.413 0.895 1
1 1186 . 6 1 1 A 108 108 LEU CB C 117 42.871 41.374 1.497 1
1 1190 . 6 1 1 A 108 108 LEU N N 117 121.121 125.131 -4.010 1
1 1191 . 6 1 1 A 109 109 CYS H H 118 9.705 8.751 0.954 1
1 1192 . 6 1 1 A 109 109 CYS HA H 118 4.839 5.050 -0.211 1
1 1195 . 6 1 1 A 109 109 CYS CA C 118 57.979 56.705 1.274 1
1 1196 . 6 1 1 A 109 109 CYS CB C 118 31.953 31.493 0.460 1
1 1197 . 6 1 1 A 109 109 CYS N N 118 118.403 121.834 -3.431 1
1 1198 . 6 1 1 A 110 110 LYS H H 119 8.419 8.361 0.058 1
1 1199 . 6 1 1 A 110 110 LYS HA H 119 4.426 4.602 -0.176 1
1 1207 . 6 1 1 A 110 110 LYS CA C 119 56.957 56.554 0.403 1
1 1208 . 6 1 1 A 110 110 LYS CB C 119 34.386 33.079 1.307 1
1 1212 . 6 1 1 A 110 110 LYS N N 119 120.090 119.343 0.747 1
1 1213 . 6 1 1 A 111 111 LEU H H 120 9.016 8.352 0.664 1
1 1214 . 6 1 1 A 111 111 LEU HA H 120 4.054 3.948 0.106 1
1 1223 . 6 1 1 A 111 111 LEU CA C 120 57.694 57.502 0.192 1
1 1224 . 6 1 1 A 111 111 LEU CB C 120 43.062 41.964 1.098 1
1 1227 . 6 1 1 A 111 111 LEU N N 120 123.089 122.177 0.912 1
1 1228 . 6 1 1 A 112 112 GLY H H 121 7.578 7.557 0.021 1
1 1229 . 6 1 1 A 112 112 GLY HA2 H 121 4.320 4.042 0.278 1
1 1230 . 6 1 1 A 112 112 GLY HA3 H 121 3.863 4.052 -0.189 1
1 1231 . 6 1 1 A 112 112 GLY CA C 121 44.644 44.953 -0.309 1
1 1232 . 6 1 1 A 112 112 GLY N N 121 105.939 103.953 1.986 1
1 1233 . 6 1 1 A 113 113 PRO HA H 122 4.365 4.350 0.015 1
1 1240 . 6 1 1 A 113 113 PRO CA C 122 64.692 64.921 -0.229 1
1 1241 . 6 1 1 A 113 113 PRO CB C 122 32.663 31.733 0.930 1
1 1244 . 6 1 1 A 114 114 ASN H H 123 8.603 8.902 -0.299 1
1 1245 . 6 1 1 A 114 114 ASN HA H 123 4.899 4.611 0.288 1
1 1250 . 6 1 1 A 114 114 ASN CA C 123 52.944 53.413 -0.469 1
1 1251 . 6 1 1 A 114 114 ASN CB C 123 39.041 37.106 1.935 1
1 1252 . 6 1 1 A 114 114 ASN N N 123 115.591 114.757 0.834 1
1 1254 . 6 1 1 A 115 115 ASP H H 124 7.507 7.811 -0.304 1
1 1255 . 6 1 1 A 115 115 ASP HA H 124 4.507 4.683 -0.176 1
1 1258 . 6 1 1 A 115 115 ASP CA C 124 54.843 53.534 1.309 1
1 1259 . 6 1 1 A 115 115 ASP CB C 124 41.620 41.789 -0.169 1
1 1260 . 6 1 1 A 115 115 ASP N N 124 121.215 118.374 2.841 1
1 1261 . 6 1 1 A 116 116 ASN H H 125 8.741 7.636 1.105 1
1 1262 . 6 1 1 A 116 116 ASN HA H 125 4.823 4.370 0.453 1
1 1267 . 6 1 1 A 116 116 ASN CA C 125 53.447 53.923 -0.476 1
1 1268 . 6 1 1 A 116 116 ASN CB C 125 43.830 37.181 6.649 1
1 1269 . 6 1 1 A 116 116 ASN N N 125 120.137 115.874 4.263 1
1 1271 . 6 1 1 A 117 117 ASP H H 126 8.039 8.229 -0.190 1
1 1272 . 6 1 1 A 117 117 ASP HA H 126 4.745 5.326 -0.581 1
1 1274 . 6 1 1 A 117 117 ASP CA C 126 54.436 52.532 1.904 1
1 1275 . 6 1 1 A 117 117 ASP CB C 126 42.046 44.541 -2.495 1
1 1276 . 6 1 1 A 117 117 ASP N N 126 120.746 119.607 1.139 1
1 1277 . 6 1 1 A 118 118 THR H H 127 8.361 8.433 -0.072 1
1 1278 . 6 1 1 A 118 118 THR HA H 127 4.331 4.775 -0.444 1
1 1283 . 6 1 1 A 118 118 THR CA C 127 62.454 60.028 2.426 1
1 1284 . 6 1 1 A 118 118 THR CB C 127 70.191 68.725 1.466 1
1 1286 . 6 1 1 A 118 118 THR N N 127 116.903 112.016 4.887 1
1 1287 . 6 1 1 A 119 119 VAL H H 128 8.152 7.579 0.573 1
1 1288 . 6 1 1 A 119 119 VAL HA H 128 4.172 4.650 -0.478 1
1 1296 . 6 1 1 A 119 119 VAL CA C 128 61.051 60.969 0.082 1
1 1297 . 6 1 1 A 119 119 VAL CB C 128 35.124 34.294 0.830 1
1 1300 . 6 1 1 A 119 119 VAL N N 128 119.903 121.844 -1.941 1
1 1301 . 6 1 1 A 120 120 ARG H H 129 7.884 8.632 -0.748 1
1 1302 . 6 1 1 A 120 120 ARG HA H 129 4.719 4.835 -0.116 1
1 1307 . 6 1 1 A 120 120 ARG CA C 129 55.555 56.071 -0.516 1
1 1308 . 6 1 1 A 120 120 ARG CB C 129 34.945 32.765 2.180 1
1 1311 . 6 1 1 A 120 120 ARG N N 129 122.621 125.317 -2.696 1
1 1312 . 6 1 1 A 121 121 GLY H H 130 8.289 8.107 0.182 1
1 1313 . 6 1 1 A 121 121 GLY HA2 H 130 4.605 4.151 0.454 1
1 1314 . 6 1 1 A 121 121 GLY HA3 H 130 3.803 4.166 -0.363 1
1 1315 . 6 1 1 A 121 121 GLY CA C 130 45.756 45.596 0.160 1
1 1316 . 6 1 1 A 121 121 GLY N N 130 107.626 112.618 -4.992 1
1 1317 . 6 1 1 A 122 122 GLN H H 131 8.408 8.763 -0.355 1
1 1318 . 6 1 1 A 122 122 GLN HA H 131 5.434 5.281 0.153 1
1 1323 . 6 1 1 A 122 122 GLN CA C 131 54.809 54.015 0.794 1
1 1324 . 6 1 1 A 122 122 GLN CB C 131 34.756 33.459 1.297 1
1 1326 . 6 1 1 A 122 122 GLN N N 131 114.654 118.230 -3.576 1
1 1328 . 6 1 1 A 123 123 ILE H H 132 9.273 8.496 0.777 1
1 1329 . 6 1 1 A 123 123 ILE HA H 132 5.207 4.688 0.519 1
1 1339 . 6 1 1 A 123 123 ILE CA C 132 59.284 59.574 -0.290 1
1 1340 . 6 1 1 A 123 123 ILE CB C 132 44.085 41.467 2.618 1
1 1344 . 6 1 1 A 123 123 ILE N N 132 118.216 121.843 -3.627 1
1 1345 . 6 1 1 A 124 124 VAL H H 133 8.750 9.149 -0.399 1
1 1346 . 6 1 1 A 124 124 VAL HA H 133 5.338 4.846 0.492 1
1 1354 . 6 1 1 A 124 124 VAL CA C 133 61.611 60.985 0.626 1
1 1355 . 6 1 1 A 124 124 VAL CB C 133 32.620 33.429 -0.809 1
1 1358 . 6 1 1 A 124 124 VAL N N 133 126.088 128.524 -2.436 1
1 1359 . 6 1 1 A 125 125 VAL H H 134 8.698 9.285 -0.587 1
1 1360 . 6 1 1 A 125 125 VAL HA H 134 5.859 5.612 0.247 1
1 1368 . 6 1 1 A 125 125 VAL CA C 134 57.880 59.486 -1.606 1
1 1369 . 6 1 1 A 125 125 VAL CB C 134 36.990 36.155 0.835 1
1 1372 . 6 1 1 A 125 125 VAL N N 134 117.895 121.453 -3.558 1
1 1373 . 6 1 1 A 126 126 SER H H 135 8.746 8.789 -0.043 1
1 1374 . 6 1 1 A 126 126 SER HA H 135 4.881 5.339 -0.458 1
1 1377 . 6 1 1 A 126 126 SER CA C 135 56.860 56.884 -0.024 1
1 1378 . 6 1 1 A 126 126 SER CB C 135 66.695 65.893 0.802 1
1 1379 . 6 1 1 A 126 126 SER N N 135 112.967 115.240 -2.273 1
1 1380 . 6 1 1 A 127 127 LEU H H 136 9.710 9.016 0.694 1
1 1381 . 6 1 1 A 127 127 LEU HA H 136 5.244 5.040 0.204 1
1 1390 . 6 1 1 A 127 127 LEU CA C 136 54.436 53.489 0.947 1
1 1391 . 6 1 1 A 127 127 LEU CB C 136 46.137 42.522 3.615 1
1 1395 . 6 1 1 A 127 127 LEU N N 136 125.760 126.651 -0.891 1
1 1396 . 6 1 1 A 128 128 GLN H H 137 9.256 8.491 0.765 1
1 1397 . 6 1 1 A 128 128 GLN HA H 137 5.128 5.852 -0.724 1
1 1404 . 6 1 1 A 128 128 GLN CA C 137 54.063 54.408 -0.345 1
1 1405 . 6 1 1 A 128 128 GLN CB C 137 34.063 32.399 1.664 1
1 1407 . 6 1 1 A 128 128 GLN N N 137 125.526 125.427 0.099 1
1 1409 . 6 1 1 A 129 129 SER H H 138 8.222 8.659 -0.437 1
1 1410 . 6 1 1 A 129 129 SER HA H 138 4.476 4.554 -0.078 1
1 1413 . 6 1 1 A 129 129 SER CA C 138 60.814 57.911 2.903 1
1 1414 . 6 1 1 A 129 129 SER CB C 138 63.116 64.065 -0.949 1
1 1415 . 6 1 1 A 129 129 SER N N 138 125.620 118.933 6.687 1
1 1416 . 6 1 1 A 130 130 ARG H H 139 8.032 8.624 -0.592 1
1 1417 . 6 1 1 A 130 130 ARG HA H 139 4.601 4.374 0.227 1
1 1424 . 6 1 1 A 130 130 ARG CA C 139 53.934 56.898 -2.964 1
1 1425 . 6 1 1 A 130 130 ARG CB C 139 32.334 30.758 1.576 1
1 1428 . 6 1 1 A 130 130 ARG N N 139 123.136 124.138 -1.002 1
1 6 . 7 1 1 A 2 2 PRO HA H 11 4.498 4.713 -0.215 1
1 11 . 7 1 1 A 2 2 PRO CA C 11 63.103 62.943 0.160 1
1 12 . 7 1 1 A 2 2 PRO CB C 11 32.993 32.633 0.360 1
1 15 . 7 1 1 A 3 3 VAL H H 12 8.356 8.047 0.309 1
1 16 . 7 1 1 A 3 3 VAL HA H 12 4.370 4.927 -0.557 1
1 24 . 7 1 1 A 3 3 VAL CA C 12 60.982 59.216 1.766 1
1 25 . 7 1 1 A 3 3 VAL CB C 12 34.005 34.851 -0.846 1
1 28 . 7 1 1 A 3 3 VAL N N 12 119.528 115.344 4.184 1
1 29 . 7 1 1 A 4 4 LYS H H 13 8.542 8.892 -0.350 1
1 30 . 7 1 1 A 4 4 LYS HA H 13 4.752 4.676 0.076 1
1 38 . 7 1 1 A 4 4 LYS CA C 13 55.339 55.951 -0.612 1
1 39 . 7 1 1 A 4 4 LYS CB C 13 33.640 33.414 0.226 1
1 43 . 7 1 1 A 4 4 LYS N N 13 125.901 124.930 0.971 1
1 44 . 7 1 1 A 5 5 LEU H H 14 8.887 8.748 0.139 1
1 45 . 7 1 1 A 5 5 LEU HA H 14 4.927 5.279 -0.352 1
1 51 . 7 1 1 A 5 5 LEU CA C 14 52.944 53.401 -0.457 1
1 52 . 7 1 1 A 5 5 LEU CB C 14 47.069 45.641 1.428 1
1 54 . 7 1 1 A 5 5 LEU N N 14 126.276 128.856 -2.580 1
1 55 . 7 1 1 A 6 6 ARG H H 15 9.361 8.760 0.601 1
1 56 . 7 1 1 A 6 6 ARG HA H 15 5.205 5.556 -0.351 1
1 61 . 7 1 1 A 6 6 ARG CA C 15 55.064 54.793 0.271 1
1 62 . 7 1 1 A 6 6 ARG CB C 15 31.979 32.536 -0.557 1
1 64 . 7 1 1 A 6 6 ARG N N 15 123.745 125.661 -1.916 1
1 65 . 7 1 1 A 7 7 LEU H H 16 9.694 8.622 1.072 1
1 66 . 7 1 1 A 7 7 LEU HA H 16 5.437 5.002 0.435 1
1 73 . 7 1 1 A 7 7 LEU CA C 16 53.777 53.590 0.187 1
1 74 . 7 1 1 A 7 7 LEU CB C 16 45.577 43.651 1.926 1
1 77 . 7 1 1 A 7 7 LEU N N 16 111.467 126.808 -15.341 1
1 78 . 7 1 1 A 8 8 THR H H 17 9.470 9.183 0.287 1
1 79 . 7 1 1 A 8 8 THR HA H 17 4.904 4.922 -0.018 1
1 84 . 7 1 1 A 8 8 THR CA C 17 62.827 62.218 0.609 1
1 85 . 7 1 1 A 8 8 THR CB C 17 69.540 69.372 0.168 1
1 87 . 7 1 1 A 8 8 THR N N 17 124.589 124.469 0.120 1
1 88 . 7 1 1 A 9 9 VAL H H 18 9.339 9.194 0.145 1
1 89 . 7 1 1 A 9 9 VAL HA H 18 4.374 4.170 0.204 1
1 97 . 7 1 1 A 9 9 VAL CA C 18 61.708 63.066 -1.358 1
1 98 . 7 1 1 A 9 9 VAL CB C 18 31.021 30.832 0.189 1
1 101 . 7 1 1 A 9 9 VAL N N 18 127.963 127.847 0.116 1
1 102 . 7 1 1 A 10 10 LEU H H 19 8.957 8.589 0.368 1
1 103 . 7 1 1 A 10 10 LEU HA H 19 4.334 4.270 0.064 1
1 113 . 7 1 1 A 10 10 LEU CA C 19 59.232 57.456 1.776 1
1 114 . 7 1 1 A 10 10 LEU CB C 19 43.525 42.859 0.666 1
1 118 . 7 1 1 A 10 10 LEU N N 19 127.775 129.866 -2.091 1
1 119 . 7 1 1 A 11 11 CYS H H 20 8.038 7.552 0.486 1
1 120 . 7 1 1 A 11 11 CYS HA H 20 5.152 4.644 0.508 1
1 123 . 7 1 1 A 11 11 CYS CA C 20 55.928 57.287 -1.359 1
1 124 . 7 1 1 A 11 11 CYS CB C 20 30.655 30.114 0.541 1
1 125 . 7 1 1 A 11 11 CYS N N 20 109.968 113.621 -3.653 1
1 126 . 7 1 1 A 12 12 ALA H H 21 8.485 8.137 0.348 1
1 127 . 7 1 1 A 12 12 ALA HA H 21 5.397 5.364 0.033 1
1 131 . 7 1 1 A 12 12 ALA CA C 21 50.707 50.512 0.195 1
1 132 . 7 1 1 A 12 12 ALA CB C 21 22.550 23.404 -0.854 1
1 133 . 7 1 1 A 12 12 ALA N N 21 119.247 123.465 -4.218 1
1 134 . 7 1 1 A 13 13 LYS H H 22 8.905 8.735 0.170 1
1 135 . 7 1 1 A 13 13 LYS HA H 22 5.144 4.721 0.423 1
1 141 . 7 1 1 A 13 13 LYS CA C 22 54.063 54.712 -0.649 1
1 142 . 7 1 1 A 13 13 LYS CB C 22 37.217 36.026 1.191 1
1 146 . 7 1 1 A 13 13 LYS N N 22 117.934 119.894 -1.960 1
1 147 . 7 1 1 A 14 14 ASN H H 23 9.099 8.994 0.105 1
1 148 . 7 1 1 A 14 14 ASN HA H 23 4.187 4.297 -0.110 1
1 153 . 7 1 1 A 14 14 ASN CA C 23 53.735 53.755 -0.020 1
1 154 . 7 1 1 A 14 14 ASN CB C 23 37.736 36.945 0.791 1
1 155 . 7 1 1 A 14 14 ASN N N 23 118.684 119.552 -0.868 1
1 157 . 7 1 1 A 15 15 LEU H H 24 8.294 7.936 0.358 1
1 158 . 7 1 1 A 15 15 LEU HA H 24 5.161 4.261 0.900 1
1 165 . 7 1 1 A 15 15 LEU CA C 24 55.261 54.504 0.757 1
1 166 . 7 1 1 A 15 15 LEU CB C 24 42.966 41.597 1.369 1
1 169 . 7 1 1 A 15 15 LEU N N 24 114.373 120.085 -5.712 1
1 170 . 7 1 1 A 16 16 VAL H H 25 8.533 8.483 0.050 1
1 171 . 7 1 1 A 16 16 VAL HA H 25 3.635 3.966 -0.331 1
1 179 . 7 1 1 A 16 16 VAL CA C 25 62.318 63.193 -0.875 1
1 180 . 7 1 1 A 16 16 VAL CB C 25 33.064 32.426 0.638 1
1 183 . 7 1 1 A 16 16 VAL N N 25 119.200 125.445 -6.245 1
1 184 . 7 1 1 A 17 17 LYS H H 26 7.950 8.356 -0.406 1
1 185 . 7 1 1 A 17 17 LYS HA H 26 4.302 4.034 0.268 1
1 192 . 7 1 1 A 17 17 LYS CA C 26 54.150 58.480 -4.330 1
1 193 . 7 1 1 A 17 17 LYS CB C 26 33.826 32.025 1.801 1
1 197 . 7 1 1 A 17 17 LYS N N 26 128.056 126.453 1.603 1
1 198 . 7 1 1 A 18 18 LYS H H 27 8.549 7.883 0.666 1
1 199 . 7 1 1 A 18 18 LYS HA H 27 4.078 3.913 0.165 1
1 207 . 7 1 1 A 18 18 LYS CA C 27 58.626 58.754 -0.128 1
1 208 . 7 1 1 A 18 18 LYS CB C 27 33.826 31.040 2.786 1
1 211 . 7 1 1 A 18 18 LYS N N 27 125.760 114.445 11.315 1
1 212 . 7 1 1 A 19 19 ASP H H 28 8.438 8.358 0.080 1
1 213 . 7 1 1 A 19 19 ASP HA H 28 4.801 5.011 -0.210 1
1 216 . 7 1 1 A 19 19 ASP CA C 28 52.964 53.897 -0.933 1
1 217 . 7 1 1 A 19 19 ASP CB C 28 43.518 42.199 1.319 1
1 218 . 7 1 1 A 19 19 ASP N N 28 119.247 118.484 0.763 1
1 219 . 7 1 1 A 20 20 PHE H H 29 8.506 9.247 -0.741 1
1 220 . 7 1 1 A 20 20 PHE HA H 29 4.049 4.036 0.013 1
1 227 . 7 1 1 A 20 20 PHE CA C 29 60.767 62.246 -1.479 1
1 228 . 7 1 1 A 20 20 PHE CB C 29 39.305 39.890 -0.585 1
1 231 . 7 1 1 A 20 20 PHE N N 29 122.011 124.642 -2.631 1
1 232 . 7 1 1 A 21 21 PHE H H 30 8.350 8.308 0.042 1
1 233 . 7 1 1 A 21 21 PHE HA H 30 4.677 4.475 0.202 1
1 240 . 7 1 1 A 21 21 PHE CA C 30 57.789 59.378 -1.589 1
1 241 . 7 1 1 A 21 21 PHE CB C 30 40.824 39.030 1.794 1
1 244 . 7 1 1 A 21 21 PHE N N 30 113.764 119.251 -5.487 1
1 245 . 7 1 1 A 22 22 ARG H H 31 7.631 7.653 -0.022 1
1 246 . 7 1 1 A 22 22 ARG HA H 31 4.614 4.902 -0.288 1
1 252 . 7 1 1 A 22 22 ARG CA C 31 55.325 54.374 0.951 1
1 253 . 7 1 1 A 22 22 ARG CB C 31 33.640 34.870 -1.230 1
1 256 . 7 1 1 A 22 22 ARG N N 31 118.778 119.126 -0.348 1
1 257 . 7 1 1 A 23 23 LEU H H 32 8.699 8.861 -0.162 1
1 258 . 7 1 1 A 23 23 LEU HA H 32 4.509 4.854 -0.345 1
1 268 . 7 1 1 A 23 23 LEU CA C 32 52.758 51.025 1.733 1
1 269 . 7 1 1 A 23 23 LEU CB C 32 42.593 45.553 -2.960 1
1 273 . 7 1 1 A 23 23 LEU N N 32 123.464 121.925 1.539 1
1 274 . 7 1 1 A 24 24 PRO HA H 33 4.648 4.813 -0.165 1
1 281 . 7 1 1 A 24 24 PRO CA C 33 62.753 62.063 0.690 1
1 282 . 7 1 1 A 24 24 PRO CB C 33 33.965 32.839 1.126 1
1 285 . 7 1 1 A 25 25 ASP H H 34 7.463 8.596 -1.133 1
1 286 . 7 1 1 A 25 25 ASP HA H 34 6.052 5.938 0.114 1
1 289 . 7 1 1 A 25 25 ASP CA C 34 51.080 51.826 -0.746 1
1 290 . 7 1 1 A 25 25 ASP CB C 34 42.779 41.784 0.995 1
1 291 . 7 1 1 A 25 25 ASP N N 34 117.091 121.143 -4.052 1
1 292 . 7 1 1 A 26 26 PRO HA H 35 5.968 5.135 0.833 1
1 299 . 7 1 1 A 26 26 PRO CA C 35 62.827 62.904 -0.077 1
1 300 . 7 1 1 A 26 26 PRO CB C 35 35.132 32.845 2.287 1
1 303 . 7 1 1 A 27 27 PHE H H 36 9.284 8.829 0.455 1
1 304 . 7 1 1 A 27 27 PHE HA H 36 5.009 5.263 -0.254 1
1 312 . 7 1 1 A 27 27 PHE CA C 36 56.301 56.098 0.203 1
1 313 . 7 1 1 A 27 27 PHE CB C 36 42.689 41.221 1.468 1
1 317 . 7 1 1 A 27 27 PHE N N 36 120.090 118.769 1.321 1
1 318 . 7 1 1 A 28 28 ALA H H 37 8.408 8.727 -0.319 1
1 319 . 7 1 1 A 28 28 ALA HA H 37 5.481 5.256 0.225 1
1 323 . 7 1 1 A 28 28 ALA CA C 37 49.186 49.847 -0.661 1
1 324 . 7 1 1 A 28 28 ALA CB C 37 20.389 22.680 -2.291 1
1 325 . 7 1 1 A 28 28 ALA N N 37 122.433 121.352 1.081 1
1 326 . 7 1 1 A 29 29 LYS H H 38 9.617 8.805 0.812 1
1 327 . 7 1 1 A 29 29 LYS HA H 38 5.267 5.301 -0.034 1
1 335 . 7 1 1 A 29 29 LYS CA C 38 54.901 55.127 -0.226 1
1 336 . 7 1 1 A 29 29 LYS CB C 38 36.624 35.780 0.844 1
1 340 . 7 1 1 A 29 29 LYS N N 38 121.964 120.250 1.714 1
1 341 . 7 1 1 A 30 30 VAL H H 39 9.159 9.009 0.150 1
1 342 . 7 1 1 A 30 30 VAL HA H 39 4.494 4.630 -0.136 1
1 350 . 7 1 1 A 30 30 VAL CA C 39 61.335 62.343 -1.008 1
1 351 . 7 1 1 A 30 30 VAL CB C 39 34.954 32.464 2.490 1
1 354 . 7 1 1 A 30 30 VAL N N 39 124.497 126.188 -1.691 1
1 355 . 7 1 1 A 31 31 VAL H H 40 8.659 8.734 -0.075 1
1 356 . 7 1 1 A 31 31 VAL HA H 40 5.091 4.857 0.234 1
1 364 . 7 1 1 A 31 31 VAL CA C 40 59.898 59.596 0.302 1
1 365 . 7 1 1 A 31 31 VAL CB C 40 36.959 35.591 1.368 1
1 368 . 7 1 1 A 31 31 VAL N N 40 124.589 120.741 3.848 1
1 369 . 7 1 1 A 32 32 VAL H H 41 7.786 8.986 -1.200 1
1 370 . 7 1 1 A 32 32 VAL HA H 41 4.660 4.592 0.068 1
1 378 . 7 1 1 A 32 32 VAL CA C 41 62.268 61.359 0.909 1
1 379 . 7 1 1 A 32 32 VAL CB C 41 30.995 32.938 -1.943 1
1 382 . 7 1 1 A 32 32 VAL N N 41 125.385 124.993 0.392 1
1 383 . 7 1 1 A 33 33 ASP H H 42 8.568 8.844 -0.276 1
1 384 . 7 1 1 A 33 33 ASP HA H 42 4.310 4.692 -0.382 1
1 386 . 7 1 1 A 33 33 ASP CA C 42 57.321 53.627 3.694 1
1 387 . 7 1 1 A 33 33 ASP CB C 42 40.727 39.797 0.930 1
1 388 . 7 1 1 A 33 33 ASP N N 42 130.868 127.466 3.402 1
1 389 . 7 1 1 A 34 34 GLY HA2 H 43 4.230 4.020 0.210 1
1 390 . 7 1 1 A 34 34 GLY HA3 H 43 3.818 4.026 -0.208 1
1 391 . 7 1 1 A 34 34 GLY CA C 43 46.510 45.600 0.910 1
1 392 . 7 1 1 A 35 35 SER H H 44 8.049 7.942 0.107 1
1 393 . 7 1 1 A 35 35 SER HA H 44 4.928 4.757 0.171 1
1 396 . 7 1 1 A 35 35 SER CA C 44 58.067 59.550 -1.483 1
1 397 . 7 1 1 A 35 35 SER CB C 44 67.393 65.669 1.724 1
1 398 . 7 1 1 A 35 35 SER N N 44 115.029 113.897 1.132 1
1 399 . 7 1 1 A 36 36 GLY H H 45 8.637 8.052 0.585 1
1 400 . 7 1 1 A 36 36 GLY HA2 H 45 4.338 4.029 0.309 1
1 401 . 7 1 1 A 36 36 GLY HA3 H 45 3.884 4.032 -0.148 1
1 402 . 7 1 1 A 36 36 GLY CA C 45 46.137 45.102 1.035 1
1 403 . 7 1 1 A 36 36 GLY N N 45 109.265 108.754 0.511 1
1 404 . 7 1 1 A 37 37 GLN H H 46 8.329 7.904 0.425 1
1 405 . 7 1 1 A 37 37 GLN HA H 46 4.339 4.278 0.061 1
1 412 . 7 1 1 A 37 37 GLN CA C 46 56.002 56.688 -0.686 1
1 413 . 7 1 1 A 37 37 GLN CB C 46 30.241 29.492 0.749 1
1 415 . 7 1 1 A 37 37 GLN N N 46 120.699 120.623 0.076 1
1 417 . 7 1 1 A 38 38 CYS H H 47 7.787 8.499 -0.712 1
1 418 . 7 1 1 A 38 38 CYS HA H 47 5.257 5.865 -0.608 1
1 420 . 7 1 1 A 38 38 CYS CA C 47 56.761 57.273 -0.512 1
1 421 . 7 1 1 A 38 38 CYS CB C 47 29.250 30.489 -1.239 1
1 422 . 7 1 1 A 38 38 CYS N N 47 124.214 122.499 1.715 1
1 423 . 7 1 1 A 39 39 HIS H H 48 8.906 8.612 0.294 1
1 424 . 7 1 1 A 39 39 HIS HA H 48 4.730 5.031 -0.301 1
1 428 . 7 1 1 A 39 39 HIS CA C 48 54.888 54.218 0.670 1
1 429 . 7 1 1 A 39 39 HIS CB C 48 34.688 34.362 0.326 1
1 431 . 7 1 1 A 39 39 HIS N N 48 125.807 120.521 5.286 1
1 432 . 7 1 1 A 40 40 SER H H 49 8.728 8.591 0.137 1
1 433 . 7 1 1 A 40 40 SER HA H 49 5.732 5.464 0.268 1
1 436 . 7 1 1 A 40 40 SER CA C 49 57.041 57.342 -0.301 1
1 437 . 7 1 1 A 40 40 SER CB C 49 66.274 66.522 -0.248 1
1 438 . 7 1 1 A 40 40 SER N N 49 116.034 114.226 1.808 1
1 439 . 7 1 1 A 41 41 THR H H 50 9.212 8.754 0.458 1
1 440 . 7 1 1 A 41 41 THR HA H 50 4.477 4.984 -0.507 1
1 445 . 7 1 1 A 41 41 THR CA C 50 61.457 60.265 1.192 1
1 446 . 7 1 1 A 41 41 THR CB C 50 72.337 70.200 2.137 1
1 448 . 7 1 1 A 41 41 THR N N 50 115.404 113.972 1.432 1
1 449 . 7 1 1 A 42 42 ASP H H 51 9.424 8.626 0.798 1
1 450 . 7 1 1 A 42 42 ASP HA H 51 4.676 4.602 0.074 1
1 453 . 7 1 1 A 42 42 ASP CA C 51 54.996 55.172 -0.176 1
1 454 . 7 1 1 A 42 42 ASP CB C 51 41.543 41.535 0.008 1
1 455 . 7 1 1 A 42 42 ASP N N 51 119.340 122.947 -3.607 1
1 456 . 7 1 1 A 43 43 THR H H 52 8.650 8.461 0.189 1
1 457 . 7 1 1 A 43 43 THR HA H 52 4.858 5.004 -0.146 1
1 462 . 7 1 1 A 43 43 THR CA C 52 62.637 62.086 0.551 1
1 463 . 7 1 1 A 43 43 THR CB C 52 70.191 70.472 -0.281 1
1 465 . 7 1 1 A 43 43 THR N N 52 117.836 117.508 0.328 1
1 466 . 7 1 1 A 44 44 VAL H H 53 8.266 9.048 -0.782 1
1 467 . 7 1 1 A 44 44 VAL HA H 53 4.363 4.522 -0.159 1
1 475 . 7 1 1 A 44 44 VAL CA C 53 61.086 61.160 -0.074 1
1 476 . 7 1 1 A 44 44 VAL CB C 53 33.361 32.979 0.382 1
1 479 . 7 1 1 A 44 44 VAL N N 53 127.775 126.933 0.842 1
1 480 . 7 1 1 A 45 45 LYS H H 54 8.163 8.686 -0.523 1
1 481 . 7 1 1 A 45 45 LYS HA H 54 4.229 4.610 -0.381 1
1 487 . 7 1 1 A 45 45 LYS CA C 54 56.627 57.065 -0.438 1
1 488 . 7 1 1 A 45 45 LYS CB C 54 33.739 32.623 1.116 1
1 492 . 7 1 1 A 45 45 LYS N N 54 120.934 127.638 -6.704 1
1 493 . 7 1 1 A 46 46 ASN H H 55 9.642 8.557 1.085 1
1 494 . 7 1 1 A 46 46 ASN HA H 55 4.150 4.681 -0.531 1
1 499 . 7 1 1 A 46 46 ASN CA C 55 54.029 53.812 0.217 1
1 500 . 7 1 1 A 46 46 ASN CB C 55 38.668 36.204 2.464 1
1 501 . 7 1 1 A 46 46 ASN N N 55 121.215 121.802 -0.587 1
1 503 . 7 1 1 A 47 47 THR H H 56 8.246 8.005 0.241 1
1 504 . 7 1 1 A 47 47 THR HA H 56 4.661 4.868 -0.207 1
1 509 . 7 1 1 A 47 47 THR CA C 56 60.963 60.251 0.712 1
1 510 . 7 1 1 A 47 47 THR CB C 56 68.512 70.535 -2.023 1
1 512 . 7 1 1 A 47 47 THR N N 56 111.936 117.822 -5.886 1
1 513 . 7 1 1 A 48 48 LEU H H 57 8.245 8.586 -0.341 1
1 514 . 7 1 1 A 48 48 LEU HA H 57 4.410 4.686 -0.276 1
1 524 . 7 1 1 A 48 48 LEU CA C 57 53.641 54.037 -0.396 1
1 525 . 7 1 1 A 48 48 LEU CB C 57 41.570 42.750 -1.180 1
1 529 . 7 1 1 A 48 48 LEU N N 57 122.433 124.948 -2.515 1
1 530 . 7 1 1 A 49 49 ASP H H 58 8.544 7.856 0.688 1
1 531 . 7 1 1 A 49 49 ASP HA H 58 5.419 5.049 0.370 1
1 534 . 7 1 1 A 49 49 ASP CA C 58 51.826 51.773 0.053 1
1 535 . 7 1 1 A 49 49 ASP CB C 58 44.085 40.514 3.571 1
1 536 . 7 1 1 A 49 49 ASP N N 58 116.903 117.197 -0.294 1
1 537 . 7 1 1 A 50 50 PRO HA H 59 3.790 4.454 -0.664 1
1 543 . 7 1 1 A 50 50 PRO CA C 59 63.219 62.036 1.183 1
1 544 . 7 1 1 A 50 50 PRO CB C 59 32.661 32.925 -0.264 1
1 547 . 7 1 1 A 51 51 LYS H H 60 7.806 7.918 -0.112 1
1 548 . 7 1 1 A 51 51 LYS HA H 60 4.224 4.597 -0.373 1
1 555 . 7 1 1 A 51 51 LYS CA C 60 55.521 54.813 0.708 1
1 556 . 7 1 1 A 51 51 LYS CB C 60 33.826 35.736 -1.910 1
1 560 . 7 1 1 A 51 51 LYS N N 60 119.996 116.756 3.240 1
1 561 . 7 1 1 A 52 52 TRP H H 61 7.791 8.168 -0.377 1
1 562 . 7 1 1 A 52 52 TRP HA H 61 4.824 4.859 -0.035 1
1 570 . 7 1 1 A 52 52 TRP CA C 61 60.590 57.787 2.803 1
1 571 . 7 1 1 A 52 52 TRP CB C 61 29.715 31.277 -1.562 1
1 576 . 7 1 1 A 52 52 TRP N N 61 122.386 120.005 2.381 1
1 578 . 7 1 1 A 53 53 ASN H H 62 9.040 8.129 0.911 1
1 579 . 7 1 1 A 53 53 ASN HA H 62 4.419 4.370 0.049 1
1 584 . 7 1 1 A 53 53 ASN CA C 62 53.789 54.123 -0.334 1
1 585 . 7 1 1 A 53 53 ASN CB C 62 37.922 37.408 0.514 1
1 586 . 7 1 1 A 53 53 ASN N N 62 117.185 118.495 -1.310 1
1 588 . 7 1 1 A 54 54 GLN H H 63 7.512 7.205 0.307 1
1 589 . 7 1 1 A 54 54 GLN HA H 63 4.584 4.731 -0.147 1
1 596 . 7 1 1 A 54 54 GLN CA C 63 55.008 54.217 0.791 1
1 597 . 7 1 1 A 54 54 GLN CB C 63 34.938 31.203 3.735 1
1 599 . 7 1 1 A 54 54 GLN N N 63 116.341 117.151 -0.810 1
1 601 . 7 1 1 A 55 55 HIS H H 64 7.782 8.042 -0.260 1
1 602 . 7 1 1 A 55 55 HIS HA H 64 5.796 5.885 -0.089 1
1 606 . 7 1 1 A 55 55 HIS CA C 64 53.059 53.151 -0.092 1
1 607 . 7 1 1 A 55 55 HIS CB C 64 34.378 33.350 1.028 1
1 609 . 7 1 1 A 55 55 HIS N N 64 118.403 117.624 0.779 1
1 610 . 7 1 1 A 56 56 TYR H H 65 8.657 8.606 0.051 1
1 611 . 7 1 1 A 56 56 TYR HA H 65 4.404 4.833 -0.429 1
1 618 . 7 1 1 A 56 56 TYR CA C 65 57.430 56.286 1.144 1
1 619 . 7 1 1 A 56 56 TYR CB C 65 42.958 41.672 1.286 1
1 622 . 7 1 1 A 56 56 TYR N N 65 116.435 119.463 -3.028 1
1 623 . 7 1 1 A 57 57 ASP H H 66 8.772 8.778 -0.006 1
1 624 . 7 1 1 A 57 57 ASP HA H 66 5.283 5.263 0.020 1
1 627 . 7 1 1 A 57 57 ASP CA C 66 54.250 53.801 0.449 1
1 628 . 7 1 1 A 57 57 ASP CB C 66 40.914 41.990 -1.076 1
1 629 . 7 1 1 A 57 57 ASP N N 66 124.776 122.975 1.801 1
1 630 . 7 1 1 A 58 58 LEU H H 67 9.175 8.827 0.348 1
1 631 . 7 1 1 A 58 58 LEU HA H 67 4.589 4.826 -0.237 1
1 641 . 7 1 1 A 58 58 LEU CA C 67 53.131 53.659 -0.528 1
1 642 . 7 1 1 A 58 58 LEU CB C 67 45.060 45.315 -0.255 1
1 645 . 7 1 1 A 58 58 LEU N N 67 124.558 124.819 -0.261 1
1 646 . 7 1 1 A 59 59 TYR H H 68 8.877 8.632 0.245 1
1 647 . 7 1 1 A 59 59 TYR HA H 68 5.096 5.104 -0.008 1
1 654 . 7 1 1 A 59 59 TYR CA C 68 57.606 58.372 -0.766 1
1 655 . 7 1 1 A 59 59 TYR CB C 68 39.422 39.668 -0.246 1
1 658 . 7 1 1 A 59 59 TYR N N 68 121.215 122.498 -1.283 1
1 659 . 7 1 1 A 60 60 ILE H H 69 9.162 8.729 0.433 1
1 660 . 7 1 1 A 60 60 ILE HA H 69 4.551 4.597 -0.046 1
1 670 . 7 1 1 A 60 60 ILE CA C 69 59.471 60.021 -0.550 1
1 671 . 7 1 1 A 60 60 ILE CB C 69 40.500 39.702 0.798 1
1 675 . 7 1 1 A 60 60 ILE N N 69 124.823 124.194 0.629 1
1 676 . 7 1 1 A 61 61 GLY H H 70 9.960 8.636 1.324 1
1 677 . 7 1 1 A 61 61 GLY HA2 H 70 4.517 4.079 0.438 1
1 678 . 7 1 1 A 61 61 GLY HA3 H 70 3.881 4.083 -0.202 1
1 679 . 7 1 1 A 61 61 GLY CA C 70 44.083 44.538 -0.455 1
1 680 . 7 1 1 A 61 61 GLY N N 70 117.841 114.788 3.053 1
1 681 . 7 1 1 A 62 62 LYS H H 71 8.605 8.619 -0.014 1
1 682 . 7 1 1 A 62 62 LYS HA H 71 4.090 4.178 -0.088 1
1 687 . 7 1 1 A 62 62 LYS CA C 71 59.447 58.538 0.909 1
1 688 . 7 1 1 A 62 62 LYS CB C 71 33.453 32.009 1.444 1
1 692 . 7 1 1 A 62 62 LYS N N 71 119.434 119.039 0.395 1
1 693 . 7 1 1 A 63 63 SER H H 72 8.544 7.992 0.552 1
1 694 . 7 1 1 A 63 63 SER HA H 72 4.811 4.680 0.131 1
1 696 . 7 1 1 A 63 63 SER CA C 72 57.606 56.819 0.787 1
1 697 . 7 1 1 A 63 63 SER CB C 72 64.013 63.908 0.105 1
1 698 . 7 1 1 A 63 63 SER N N 72 111.842 115.305 -3.463 1
1 699 . 7 1 1 A 64 64 ASP H H 73 7.247 8.355 -1.108 1
1 700 . 7 1 1 A 64 64 ASP HA H 73 4.867 5.502 -0.635 1
1 702 . 7 1 1 A 64 64 ASP CA C 73 55.500 52.553 2.947 1
1 703 . 7 1 1 A 64 64 ASP CB C 73 43.331 44.747 -1.416 1
1 704 . 7 1 1 A 64 64 ASP N N 73 121.964 125.342 -3.378 1
1 705 . 7 1 1 A 65 65 SER H H 74 8.742 8.785 -0.043 1
1 706 . 7 1 1 A 65 65 SER HA H 74 5.074 5.326 -0.252 1
1 708 . 7 1 1 A 65 65 SER CA C 74 56.301 56.950 -0.649 1
1 709 . 7 1 1 A 65 65 SER CB C 74 67.579 66.491 1.088 1
1 710 . 7 1 1 A 65 65 SER N N 74 111.936 115.439 -3.503 1
1 711 . 7 1 1 A 66 66 VAL H H 75 8.622 8.336 0.286 1
1 712 . 7 1 1 A 66 66 VAL HA H 75 5.095 4.986 0.109 1
1 720 . 7 1 1 A 66 66 VAL CA C 75 60.217 60.499 -0.282 1
1 721 . 7 1 1 A 66 66 VAL CB C 75 36.617 35.186 1.431 1
1 724 . 7 1 1 A 66 66 VAL N N 75 119.422 121.721 -2.299 1
1 725 . 7 1 1 A 67 67 THR H H 76 9.152 8.778 0.374 1
1 726 . 7 1 1 A 67 67 THR HA H 76 5.199 5.031 0.168 1
1 731 . 7 1 1 A 67 67 THR CA C 76 63.014 61.869 1.145 1
1 732 . 7 1 1 A 67 67 THR CB C 76 69.703 71.214 -1.511 1
1 734 . 7 1 1 A 67 67 THR N N 76 123.839 122.350 1.489 1
1 735 . 7 1 1 A 68 68 ILE H H 77 9.106 9.091 0.015 1
1 736 . 7 1 1 A 68 68 ILE HA H 77 5.389 4.823 0.566 1
1 746 . 7 1 1 A 68 68 ILE CA C 77 59.844 60.665 -0.821 1
1 747 . 7 1 1 A 68 68 ILE CB C 77 40.347 38.405 1.942 1
1 751 . 7 1 1 A 68 68 ILE N N 77 129.275 129.526 -0.251 1
1 752 . 7 1 1 A 69 69 SER H H 78 9.645 8.974 0.671 1
1 753 . 7 1 1 A 69 69 SER HA H 78 5.265 5.495 -0.230 1
1 756 . 7 1 1 A 69 69 SER CA C 78 56.114 56.462 -0.348 1
1 757 . 7 1 1 A 69 69 SER CB C 78 66.087 65.477 0.610 1
1 758 . 7 1 1 A 69 69 SER N N 78 120.559 121.703 -1.144 1
1 759 . 7 1 1 A 70 70 VAL H H 79 8.482 8.515 -0.033 1
1 760 . 7 1 1 A 70 70 VAL HA H 79 4.676 4.650 0.026 1
1 768 . 7 1 1 A 70 70 VAL CA C 79 60.852 61.492 -0.640 1
1 769 . 7 1 1 A 70 70 VAL CB C 79 32.992 32.562 0.430 1
1 772 . 7 1 1 A 70 70 VAL N N 79 121.777 124.644 -2.867 1
1 773 . 7 1 1 A 71 71 TRP H H 80 8.627 8.537 0.090 1
1 774 . 7 1 1 A 71 71 TRP HA H 80 4.930 4.958 -0.028 1
1 783 . 7 1 1 A 71 71 TRP CA C 80 55.182 54.955 0.227 1
1 784 . 7 1 1 A 71 71 TRP CB C 80 34.058 33.161 0.897 1
1 790 . 7 1 1 A 71 71 TRP N N 80 124.474 126.946 -2.472 1
1 792 . 7 1 1 A 72 72 ASN H H 81 9.891 9.071 0.820 1
1 793 . 7 1 1 A 72 72 ASN HA H 81 4.789 5.011 -0.222 1
1 798 . 7 1 1 A 72 72 ASN CA C 81 51.049 53.222 -2.173 1
1 799 . 7 1 1 A 72 72 ASN CB C 81 39.091 38.070 1.021 1
1 800 . 7 1 1 A 72 72 ASN N N 81 116.435 121.787 -5.352 1
1 802 . 7 1 1 A 73 73 HIS H H 82 9.967 9.234 0.733 1
1 803 . 7 1 1 A 73 73 HIS HA H 82 4.499 4.419 0.080 1
1 806 . 7 1 1 A 73 73 HIS CA C 82 60.788 60.563 0.225 1
1 807 . 7 1 1 A 73 73 HIS CB C 82 32.327 30.728 1.599 1
1 808 . 7 1 1 A 73 73 HIS N N 82 127.963 126.117 1.846 1
1 809 . 7 1 1 A 74 74 LYS H H 83 7.764 8.289 -0.525 1
1 810 . 7 1 1 A 74 74 LYS HA H 83 4.297 3.877 0.420 1
1 817 . 7 1 1 A 74 74 LYS CA C 83 59.232 60.092 -0.860 1
1 818 . 7 1 1 A 74 74 LYS CB C 83 33.640 32.358 1.282 1
1 822 . 7 1 1 A 74 74 LYS N N 83 112.592 118.036 -5.444 1
1 823 . 7 1 1 A 75 75 LYS H H 84 7.626 7.813 -0.187 1
1 824 . 7 1 1 A 75 75 LYS HA H 84 4.607 4.211 0.396 1
1 832 . 7 1 1 A 75 75 LYS CA C 84 55.828 59.063 -3.235 1
1 833 . 7 1 1 A 75 75 LYS CB C 84 36.064 31.785 4.279 1
1 837 . 7 1 1 A 75 75 LYS N N 84 114.560 119.797 -5.237 1
1 838 . 7 1 1 A 76 76 ILE H H 85 7.021 8.118 -1.097 1
1 839 . 7 1 1 A 76 76 ILE HA H 85 4.132 4.373 -0.241 1
1 849 . 7 1 1 A 76 76 ILE CA C 85 64.013 64.197 -0.184 1
1 850 . 7 1 1 A 76 76 ILE CB C 85 39.146 37.592 1.554 1
1 854 . 7 1 1 A 76 76 ILE N N 85 113.811 118.041 -4.230 1
1 855 . 7 1 1 A 77 77 HIS H H 86 8.335 7.628 0.707 1
1 856 . 7 1 1 A 77 77 HIS HA H 86 4.612 4.216 0.396 1
1 859 . 7 1 1 A 77 77 HIS CA C 86 56.815 58.269 -1.454 1
1 860 . 7 1 1 A 77 77 HIS CB C 86 30.461 30.600 -0.139 1
1 862 . 7 1 1 A 77 77 HIS N N 86 117.841 122.923 -5.082 1
1 863 . 7 1 1 A 78 78 LYS H H 87 7.587 7.581 0.006 1
1 864 . 7 1 1 A 78 78 LYS HA H 87 4.094 3.971 0.123 1
1 870 . 7 1 1 A 78 78 LYS CA C 87 57.628 59.770 -2.142 1
1 871 . 7 1 1 A 78 78 LYS CB C 87 32.893 32.722 0.171 1
1 875 . 7 1 1 A 78 78 LYS N N 87 120.652 118.631 2.021 1
1 876 . 7 1 1 A 79 79 LYS H H 88 7.585 7.205 0.380 1
1 877 . 7 1 1 A 79 79 LYS HA H 88 4.304 4.611 -0.307 1
1 883 . 7 1 1 A 79 79 LYS CA C 88 56.467 55.495 0.972 1
1 884 . 7 1 1 A 79 79 LYS CB C 88 34.013 35.271 -1.258 1
1 888 . 7 1 1 A 79 79 LYS N N 88 115.872 118.036 -2.164 1
1 889 . 7 1 1 A 80 80 GLN H H 89 8.625 8.485 0.140 1
1 890 . 7 1 1 A 80 80 GLN HA H 89 4.192 3.943 0.249 1
1 893 . 7 1 1 A 80 80 GLN CA C 89 57.590 57.712 -0.122 1
1 894 . 7 1 1 A 80 80 GLN CB C 89 28.331 28.297 0.034 1
1 896 . 7 1 1 A 80 80 GLN N N 89 121.308 122.342 -1.034 1
1 897 . 7 1 1 A 81 81 GLY H H 90 8.791 8.960 -0.169 1
1 898 . 7 1 1 A 81 81 GLY HA2 H 90 4.332 4.048 0.284 1
1 899 . 7 1 1 A 81 81 GLY HA3 H 90 3.850 4.084 -0.234 1
1 900 . 7 1 1 A 81 81 GLY CA C 90 45.950 45.392 0.558 1
1 901 . 7 1 1 A 81 81 GLY N N 90 112.984 114.951 -1.967 1
1 902 . 7 1 1 A 82 82 ALA H H 91 7.951 7.882 0.069 1
1 903 . 7 1 1 A 82 82 ALA HA H 91 4.485 4.226 0.259 1
1 907 . 7 1 1 A 82 82 ALA CA C 91 53.404 53.711 -0.307 1
1 908 . 7 1 1 A 82 82 ALA CB C 91 20.762 18.485 2.277 1
1 909 . 7 1 1 A 82 82 ALA N N 91 123.745 123.665 0.080 1
1 910 . 7 1 1 A 83 83 GLY H H 92 8.860 8.963 -0.103 1
1 911 . 7 1 1 A 83 83 GLY HA2 H 92 4.270 4.206 0.064 1
1 912 . 7 1 1 A 83 83 GLY HA3 H 92 4.262 4.304 -0.042 1
1 913 . 7 1 1 A 83 83 GLY CA C 92 46.689 45.436 1.253 1
1 914 . 7 1 1 A 83 83 GLY N N 92 105.564 110.917 -5.353 1
1 915 . 7 1 1 A 84 84 PHE H H 93 8.113 8.107 0.006 1
1 916 . 7 1 1 A 84 84 PHE HA H 93 3.440 4.087 -0.647 1
1 924 . 7 1 1 A 84 84 PHE CA C 93 59.932 57.057 2.875 1
1 925 . 7 1 1 A 84 84 PHE CB C 93 39.141 39.266 -0.125 1
1 929 . 7 1 1 A 84 84 PHE N N 93 121.215 121.705 -0.490 1
1 930 . 7 1 1 A 85 85 LEU H H 94 8.204 8.124 0.080 1
1 931 . 7 1 1 A 85 85 LEU HA H 94 4.334 4.148 0.186 1
1 938 . 7 1 1 A 85 85 LEU CA C 94 53.569 53.089 0.480 1
1 939 . 7 1 1 A 85 85 LEU CB C 94 43.255 42.221 1.034 1
1 942 . 7 1 1 A 85 85 LEU N N 94 125.432 128.938 -3.506 1
1 943 . 7 1 1 A 86 86 GLY HA2 H 95 4.222 3.745 0.477 1
1 944 . 7 1 1 A 86 86 GLY HA3 H 95 3.147 3.765 -0.618 1
1 945 . 7 1 1 A 86 86 GLY CA C 95 45.570 44.366 1.204 1
1 946 . 7 1 1 A 87 87 CYS H H 96 9.230 8.580 0.650 1
1 947 . 7 1 1 A 87 87 CYS HA H 96 5.838 5.174 0.664 1
1 949 . 7 1 1 A 87 87 CYS CA C 96 55.882 57.324 -1.442 1
1 950 . 7 1 1 A 87 87 CYS CB C 96 33.259 29.911 3.348 1
1 951 . 7 1 1 A 87 87 CYS N N 96 114.935 120.855 -5.920 1
1 952 . 7 1 1 A 88 88 VAL H H 97 9.242 9.302 -0.060 1
1 953 . 7 1 1 A 88 88 VAL HA H 97 4.575 4.860 -0.285 1
1 961 . 7 1 1 A 88 88 VAL CA C 97 61.769 60.373 1.396 1
1 962 . 7 1 1 A 88 88 VAL CB C 97 35.684 34.051 1.633 1
1 965 . 7 1 1 A 88 88 VAL N N 97 115.966 120.897 -4.931 1
1 966 . 7 1 1 A 89 89 ARG H H 98 8.665 9.215 -0.550 1
1 967 . 7 1 1 A 89 89 ARG HA H 98 5.166 5.247 -0.081 1
1 973 . 7 1 1 A 89 89 ARG CA C 98 54.929 54.475 0.454 1
1 974 . 7 1 1 A 89 89 ARG CB C 98 31.961 33.398 -1.437 1
1 977 . 7 1 1 A 89 89 ARG N N 98 125.526 128.892 -3.366 1
1 978 . 7 1 1 A 90 90 LEU H H 99 9.611 8.546 1.065 1
1 979 . 7 1 1 A 90 90 LEU HA H 99 4.644 5.184 -0.540 1
1 989 . 7 1 1 A 90 90 LEU CA C 99 53.217 53.075 0.142 1
1 990 . 7 1 1 A 90 90 LEU CB C 99 43.339 44.584 -1.245 1
1 994 . 7 1 1 A 90 90 LEU N N 99 127.119 127.725 -0.606 1
1 995 . 7 1 1 A 91 91 LEU H H 100 7.953 8.593 -0.640 1
1 996 . 7 1 1 A 91 91 LEU HA H 100 4.540 4.650 -0.110 1
1 1005 . 7 1 1 A 91 91 LEU CA C 100 54.523 54.013 0.510 1
1 1006 . 7 1 1 A 91 91 LEU CB C 100 42.593 42.377 0.216 1
1 1010 . 7 1 1 A 91 91 LEU N N 100 122.527 125.290 -2.763 1
1 1011 . 7 1 1 A 92 92 SER H H 101 8.754 8.857 -0.103 1
1 1012 . 7 1 1 A 92 92 SER HA H 101 3.950 4.158 -0.208 1
1 1013 . 7 1 1 A 92 92 SER CA C 101 63.171 61.570 1.601 1
1 1014 . 7 1 1 A 92 92 SER N N 101 115.966 117.433 -1.467 1
1 1015 . 7 1 1 A 93 93 ASN H H 102 7.765 8.549 -0.784 1
1 1016 . 7 1 1 A 93 93 ASN HA H 102 4.500 4.483 0.017 1
1 1020 . 7 1 1 A 93 93 ASN CA C 102 56.487 56.238 0.249 1
1 1021 . 7 1 1 A 93 93 ASN CB C 102 37.514 37.623 -0.109 1
1 1022 . 7 1 1 A 93 93 ASN N N 102 116.950 117.944 -0.994 1
1 1024 . 7 1 1 A 94 94 ALA H H 103 7.345 7.708 -0.363 1
1 1025 . 7 1 1 A 94 94 ALA HA H 103 4.230 4.108 0.122 1
1 1029 . 7 1 1 A 94 94 ALA CA C 103 54.843 55.047 -0.204 1
1 1030 . 7 1 1 A 94 94 ALA CB C 103 19.643 18.616 1.027 1
1 1031 . 7 1 1 A 94 94 ALA N N 103 124.495 122.153 2.342 1
1 1032 . 7 1 1 A 95 95 ILE H H 104 8.322 8.023 0.299 1
1 1033 . 7 1 1 A 95 95 ILE HA H 104 3.280 3.561 -0.281 1
1 1043 . 7 1 1 A 95 95 ILE CA C 104 66.184 65.272 0.912 1
1 1044 . 7 1 1 A 95 95 ILE CB C 104 37.922 37.715 0.207 1
1 1048 . 7 1 1 A 95 95 ILE N N 104 119.310 119.432 -0.122 1
1 1049 . 7 1 1 A 96 96 ASN H H 105 7.815 8.120 -0.305 1
1 1050 . 7 1 1 A 96 96 ASN HA H 105 4.332 4.385 -0.053 1
1 1052 . 7 1 1 A 96 96 ASN CA C 105 56.487 56.471 0.016 1
1 1053 . 7 1 1 A 96 96 ASN CB C 105 38.855 38.891 -0.036 1
1 1054 . 7 1 1 A 96 96 ASN N N 105 114.748 120.381 -5.633 1
1 1055 . 7 1 1 A 97 97 ARG H H 106 7.595 7.821 -0.226 1
1 1056 . 7 1 1 A 97 97 ARG HA H 106 4.257 4.097 0.160 1
1 1061 . 7 1 1 A 97 97 ARG CA C 106 58.294 58.881 -0.587 1
1 1062 . 7 1 1 A 97 97 ARG CB C 106 31.401 29.650 1.751 1
1 1065 . 7 1 1 A 97 97 ARG N N 106 117.934 118.515 -0.581 1
1 1066 . 7 1 1 A 98 98 LEU H H 107 8.179 8.205 -0.026 1
1 1067 . 7 1 1 A 98 98 LEU HA H 107 4.288 4.459 -0.171 1
1 1077 . 7 1 1 A 98 98 LEU CA C 107 55.735 56.934 -1.199 1
1 1078 . 7 1 1 A 98 98 LEU CB C 107 44.264 41.362 2.902 1
1 1082 . 7 1 1 A 98 98 LEU N N 107 116.341 119.287 -2.946 1
1 1083 . 7 1 1 A 99 99 LYS H H 108 8.058 8.602 -0.544 1
1 1084 . 7 1 1 A 99 99 LYS HA H 108 4.078 4.056 0.022 1
1 1091 . 7 1 1 A 99 99 LYS CA C 108 58.256 58.903 -0.647 1
1 1092 . 7 1 1 A 99 99 LYS CB C 108 32.520 32.018 0.502 1
1 1096 . 7 1 1 A 99 99 LYS N N 108 123.558 117.971 5.587 1
1 1097 . 7 1 1 A 100 100 ASP H H 109 9.305 7.457 1.848 1
1 1098 . 7 1 1 A 100 100 ASP HA H 109 4.672 4.494 0.178 1
1 1101 . 7 1 1 A 100 100 ASP CA C 109 57.047 56.369 0.678 1
1 1102 . 7 1 1 A 100 100 ASP CB C 109 39.041 40.837 -1.796 1
1 1103 . 7 1 1 A 100 100 ASP N N 109 115.779 119.881 -4.102 1
1 1104 . 7 1 1 A 101 101 THR H H 110 7.546 7.588 -0.042 1
1 1105 . 7 1 1 A 101 101 THR HA H 110 4.675 4.123 0.552 1
1 1110 . 7 1 1 A 101 101 THR CA C 110 61.895 63.759 -1.864 1
1 1111 . 7 1 1 A 101 101 THR CB C 110 70.432 69.741 0.691 1
1 1113 . 7 1 1 A 101 101 THR N N 110 129.087 111.369 17.718 1
1 1114 . 7 1 1 A 102 102 GLY H H 111 8.921 8.340 0.581 1
1 1115 . 7 1 1 A 102 102 GLY HA2 H 111 4.337 3.721 0.616 1
1 1116 . 7 1 1 A 102 102 GLY HA3 H 111 3.563 3.731 -0.168 1
1 1117 . 7 1 1 A 102 102 GLY CA C 111 44.062 45.318 -1.256 1
1 1118 . 7 1 1 A 102 102 GLY N N 111 112.780 110.959 1.821 1
1 1119 . 7 1 1 A 103 103 TYR H H 112 8.255 7.957 0.298 1
1 1120 . 7 1 1 A 103 103 TYR HA H 112 4.574 5.454 -0.880 1
1 1127 . 7 1 1 A 103 103 TYR CA C 112 59.745 56.423 3.322 1
1 1128 . 7 1 1 A 103 103 TYR CB C 112 38.295 42.740 -4.445 1
1 1131 . 7 1 1 A 103 103 TYR N N 112 117.653 118.256 -0.603 1
1 1132 . 7 1 1 A 104 104 GLN H H 113 9.435 9.205 0.230 1
1 1133 . 7 1 1 A 104 104 GLN HA H 113 4.659 5.037 -0.378 1
1 1140 . 7 1 1 A 104 104 GLN CA C 113 53.852 54.983 -1.131 1
1 1141 . 7 1 1 A 104 104 GLN CB C 113 31.128 32.035 -0.907 1
1 1143 . 7 1 1 A 104 104 GLN N N 113 121.964 121.345 0.619 1
1 1145 . 7 1 1 A 105 105 ARG H H 114 8.670 8.856 -0.186 1
1 1146 . 7 1 1 A 105 105 ARG HA H 114 4.838 4.838 0.000 1
1 1151 . 7 1 1 A 105 105 ARG CA C 114 55.090 55.431 -0.341 1
1 1152 . 7 1 1 A 105 105 ARG CB C 114 31.401 30.508 0.893 1
1 1155 . 7 1 1 A 105 105 ARG N N 114 122.246 124.515 -2.269 1
1 1156 . 7 1 1 A 106 106 LEU H H 115 9.269 8.728 0.541 1
1 1157 . 7 1 1 A 106 106 LEU HA H 115 4.843 4.865 -0.022 1
1 1163 . 7 1 1 A 106 106 LEU CA C 115 53.317 53.677 -0.360 1
1 1164 . 7 1 1 A 106 106 LEU CB C 115 44.570 42.840 1.730 1
1 1166 . 7 1 1 A 106 106 LEU N N 115 126.088 126.223 -0.135 1
1 1167 . 7 1 1 A 107 107 ASP H H 116 8.582 8.710 -0.128 1
1 1168 . 7 1 1 A 107 107 ASP HA H 116 4.748 4.723 0.025 1
1 1171 . 7 1 1 A 107 107 ASP CA C 116 55.402 54.481 0.921 1
1 1172 . 7 1 1 A 107 107 ASP CB C 116 41.280 41.456 -0.176 1
1 1173 . 7 1 1 A 107 107 ASP N N 116 122.714 125.376 -2.662 1
1 1174 . 7 1 1 A 108 108 LEU H H 117 8.067 8.440 -0.373 1
1 1175 . 7 1 1 A 108 108 LEU HA H 117 4.195 4.536 -0.341 1
1 1185 . 7 1 1 A 108 108 LEU CA C 117 55.308 54.682 0.626 1
1 1186 . 7 1 1 A 108 108 LEU CB C 117 42.871 42.225 0.646 1
1 1190 . 7 1 1 A 108 108 LEU N N 117 121.121 124.174 -3.053 1
1 1191 . 7 1 1 A 109 109 CYS H H 118 9.705 8.879 0.826 1
1 1192 . 7 1 1 A 109 109 CYS HA H 118 4.839 4.977 -0.138 1
1 1195 . 7 1 1 A 109 109 CYS CA C 118 57.979 57.287 0.692 1
1 1196 . 7 1 1 A 109 109 CYS CB C 118 31.953 31.114 0.839 1
1 1197 . 7 1 1 A 109 109 CYS N N 118 118.403 121.382 -2.979 1
1 1198 . 7 1 1 A 110 110 LYS H H 119 8.419 8.374 0.045 1
1 1199 . 7 1 1 A 110 110 LYS HA H 119 4.426 4.568 -0.142 1
1 1207 . 7 1 1 A 110 110 LYS CA C 119 56.957 56.556 0.401 1
1 1208 . 7 1 1 A 110 110 LYS CB C 119 34.386 33.085 1.301 1
1 1212 . 7 1 1 A 110 110 LYS N N 119 120.090 119.777 0.313 1
1 1213 . 7 1 1 A 111 111 LEU H H 120 9.016 8.709 0.307 1
1 1214 . 7 1 1 A 111 111 LEU HA H 120 4.054 4.255 -0.201 1
1 1223 . 7 1 1 A 111 111 LEU CA C 120 57.694 56.406 1.288 1
1 1224 . 7 1 1 A 111 111 LEU CB C 120 43.062 42.894 0.168 1
1 1227 . 7 1 1 A 111 111 LEU N N 120 123.089 120.742 2.347 1
1 1228 . 7 1 1 A 112 112 GLY H H 121 7.578 7.312 0.266 1
1 1229 . 7 1 1 A 112 112 GLY HA2 H 121 4.320 3.996 0.324 1
1 1230 . 7 1 1 A 112 112 GLY HA3 H 121 3.863 4.007 -0.144 1
1 1231 . 7 1 1 A 112 112 GLY CA C 121 44.644 45.133 -0.489 1
1 1232 . 7 1 1 A 112 112 GLY N N 121 105.939 104.244 1.695 1
1 1233 . 7 1 1 A 113 113 PRO HA H 122 4.365 4.288 0.077 1
1 1240 . 7 1 1 A 113 113 PRO CA C 122 64.692 63.232 1.460 1
1 1241 . 7 1 1 A 113 113 PRO CB C 122 32.663 32.342 0.321 1
1 1244 . 7 1 1 A 114 114 ASN H H 123 8.603 8.924 -0.321 1
1 1245 . 7 1 1 A 114 114 ASN HA H 123 4.899 4.315 0.584 1
1 1250 . 7 1 1 A 114 114 ASN CA C 123 52.944 55.137 -2.193 1
1 1251 . 7 1 1 A 114 114 ASN CB C 123 39.041 36.820 2.221 1
1 1252 . 7 1 1 A 114 114 ASN N N 123 115.591 113.821 1.770 1
1 1254 . 7 1 1 A 115 115 ASP H H 124 7.507 8.030 -0.523 1
1 1255 . 7 1 1 A 115 115 ASP HA H 124 4.507 4.706 -0.199 1
1 1258 . 7 1 1 A 115 115 ASP CA C 124 54.843 53.691 1.152 1
1 1259 . 7 1 1 A 115 115 ASP CB C 124 41.620 41.429 0.191 1
1 1260 . 7 1 1 A 115 115 ASP N N 124 121.215 120.069 1.146 1
1 1261 . 7 1 1 A 116 116 ASN H H 125 8.741 8.568 0.173 1
1 1262 . 7 1 1 A 116 116 ASN HA H 125 4.823 4.618 0.205 1
1 1267 . 7 1 1 A 116 116 ASN CA C 125 53.447 54.152 -0.705 1
1 1268 . 7 1 1 A 116 116 ASN CB C 125 43.830 38.224 5.606 1
1 1269 . 7 1 1 A 116 116 ASN N N 125 120.137 121.875 -1.738 1
1 1271 . 7 1 1 A 117 117 ASP H H 126 8.039 8.662 -0.623 1
1 1272 . 7 1 1 A 117 117 ASP HA H 126 4.745 5.272 -0.527 1
1 1274 . 7 1 1 A 117 117 ASP CA C 126 54.436 53.119 1.317 1
1 1275 . 7 1 1 A 117 117 ASP CB C 126 42.046 43.103 -1.057 1
1 1276 . 7 1 1 A 117 117 ASP N N 126 120.746 124.751 -4.005 1
1 1277 . 7 1 1 A 118 118 THR H H 127 8.361 8.747 -0.386 1
1 1278 . 7 1 1 A 118 118 THR HA H 127 4.331 4.410 -0.079 1
1 1283 . 7 1 1 A 118 118 THR CA C 127 62.454 61.614 0.840 1
1 1284 . 7 1 1 A 118 118 THR CB C 127 70.191 68.316 1.875 1
1 1286 . 7 1 1 A 118 118 THR N N 127 116.903 115.463 1.440 1
1 1287 . 7 1 1 A 119 119 VAL H H 128 8.152 8.084 0.068 1
1 1288 . 7 1 1 A 119 119 VAL HA H 128 4.172 4.679 -0.507 1
1 1296 . 7 1 1 A 119 119 VAL CA C 128 61.051 59.751 1.300 1
1 1297 . 7 1 1 A 119 119 VAL CB C 128 35.124 33.444 1.680 1
1 1300 . 7 1 1 A 119 119 VAL N N 128 119.903 120.040 -0.137 1
1 1301 . 7 1 1 A 120 120 ARG H H 129 7.884 8.629 -0.745 1
1 1302 . 7 1 1 A 120 120 ARG HA H 129 4.719 4.773 -0.054 1
1 1307 . 7 1 1 A 120 120 ARG CA C 129 55.555 56.026 -0.471 1
1 1308 . 7 1 1 A 120 120 ARG CB C 129 34.945 31.790 3.155 1
1 1311 . 7 1 1 A 120 120 ARG N N 129 122.621 122.727 -0.106 1
1 1312 . 7 1 1 A 121 121 GLY H H 130 8.289 8.157 0.132 1
1 1313 . 7 1 1 A 121 121 GLY HA2 H 130 4.605 4.237 0.368 1
1 1314 . 7 1 1 A 121 121 GLY HA3 H 130 3.803 4.250 -0.447 1
1 1315 . 7 1 1 A 121 121 GLY CA C 130 45.756 45.677 0.079 1
1 1316 . 7 1 1 A 121 121 GLY N N 130 107.626 112.581 -4.955 1
1 1317 . 7 1 1 A 122 122 GLN H H 131 8.408 8.724 -0.316 1
1 1318 . 7 1 1 A 122 122 GLN HA H 131 5.434 5.291 0.143 1
1 1323 . 7 1 1 A 122 122 GLN CA C 131 54.809 54.126 0.683 1
1 1324 . 7 1 1 A 122 122 GLN CB C 131 34.756 33.449 1.307 1
1 1326 . 7 1 1 A 122 122 GLN N N 131 114.654 118.177 -3.523 1
1 1328 . 7 1 1 A 123 123 ILE H H 132 9.273 8.451 0.822 1
1 1329 . 7 1 1 A 123 123 ILE HA H 132 5.207 4.654 0.553 1
1 1339 . 7 1 1 A 123 123 ILE CA C 132 59.284 59.837 -0.553 1
1 1340 . 7 1 1 A 123 123 ILE CB C 132 44.085 41.447 2.638 1
1 1344 . 7 1 1 A 123 123 ILE N N 132 118.216 121.278 -3.062 1
1 1345 . 7 1 1 A 124 124 VAL H H 133 8.750 9.175 -0.425 1
1 1346 . 7 1 1 A 124 124 VAL HA H 133 5.338 4.769 0.569 1
1 1354 . 7 1 1 A 124 124 VAL CA C 133 61.611 61.270 0.341 1
1 1355 . 7 1 1 A 124 124 VAL CB C 133 32.620 32.966 -0.346 1
1 1358 . 7 1 1 A 124 124 VAL N N 133 126.088 128.512 -2.424 1
1 1359 . 7 1 1 A 125 125 VAL H H 134 8.698 9.192 -0.494 1
1 1360 . 7 1 1 A 125 125 VAL HA H 134 5.859 5.613 0.246 1
1 1368 . 7 1 1 A 125 125 VAL CA C 134 57.880 59.154 -1.274 1
1 1369 . 7 1 1 A 125 125 VAL CB C 134 36.990 36.572 0.418 1
1 1372 . 7 1 1 A 125 125 VAL N N 134 117.895 121.364 -3.469 1
1 1373 . 7 1 1 A 126 126 SER H H 135 8.746 8.678 0.068 1
1 1374 . 7 1 1 A 126 126 SER HA H 135 4.881 5.341 -0.460 1
1 1377 . 7 1 1 A 126 126 SER CA C 135 56.860 56.956 -0.096 1
1 1378 . 7 1 1 A 126 126 SER CB C 135 66.695 65.974 0.721 1
1 1379 . 7 1 1 A 126 126 SER N N 135 112.967 115.543 -2.576 1
1 1380 . 7 1 1 A 127 127 LEU H H 136 9.710 8.947 0.763 1
1 1381 . 7 1 1 A 127 127 LEU HA H 136 5.244 5.010 0.234 1
1 1390 . 7 1 1 A 127 127 LEU CA C 136 54.436 53.394 1.042 1
1 1391 . 7 1 1 A 127 127 LEU CB C 136 46.137 42.408 3.729 1
1 1395 . 7 1 1 A 127 127 LEU N N 136 125.760 126.558 -0.798 1
1 1396 . 7 1 1 A 128 128 GLN H H 137 9.256 8.338 0.918 1
1 1397 . 7 1 1 A 128 128 GLN HA H 137 5.128 5.819 -0.691 1
1 1404 . 7 1 1 A 128 128 GLN CA C 137 54.063 54.640 -0.577 1
1 1405 . 7 1 1 A 128 128 GLN CB C 137 34.063 32.376 1.687 1
1 1407 . 7 1 1 A 128 128 GLN N N 137 125.526 125.764 -0.238 1
1 1409 . 7 1 1 A 129 129 SER H H 138 8.222 8.632 -0.410 1
1 1410 . 7 1 1 A 129 129 SER HA H 138 4.476 4.726 -0.250 1
1 1413 . 7 1 1 A 129 129 SER CA C 138 60.814 57.613 3.201 1
1 1414 . 7 1 1 A 129 129 SER CB C 138 63.116 63.831 -0.715 1
1 1415 . 7 1 1 A 129 129 SER N N 138 125.620 119.164 6.456 1
1 1416 . 7 1 1 A 130 130 ARG H H 139 8.032 8.284 -0.252 1
1 1417 . 7 1 1 A 130 130 ARG HA H 139 4.601 4.572 0.029 1
1 1424 . 7 1 1 A 130 130 ARG CA C 139 53.934 55.307 -1.373 1
1 1425 . 7 1 1 A 130 130 ARG CB C 139 32.334 32.098 0.236 1
1 1428 . 7 1 1 A 130 130 ARG N N 139 123.136 124.444 -1.308 1
1 6 . 8 1 1 A 2 2 PRO HA H 11 4.498 4.787 -0.289 1
1 11 . 8 1 1 A 2 2 PRO CA C 11 63.103 62.857 0.246 1
1 12 . 8 1 1 A 2 2 PRO CB C 11 32.993 32.246 0.747 1
1 15 . 8 1 1 A 3 3 VAL H H 12 8.356 8.639 -0.283 1
1 16 . 8 1 1 A 3 3 VAL HA H 12 4.370 4.521 -0.151 1
1 24 . 8 1 1 A 3 3 VAL CA C 12 60.982 60.384 0.598 1
1 25 . 8 1 1 A 3 3 VAL CB C 12 34.005 33.339 0.666 1
1 28 . 8 1 1 A 3 3 VAL N N 12 119.528 116.767 2.761 1
1 29 . 8 1 1 A 4 4 LYS H H 13 8.542 8.791 -0.249 1
1 30 . 8 1 1 A 4 4 LYS HA H 13 4.752 5.175 -0.423 1
1 38 . 8 1 1 A 4 4 LYS CA C 13 55.339 55.924 -0.585 1
1 39 . 8 1 1 A 4 4 LYS CB C 13 33.640 33.097 0.543 1
1 43 . 8 1 1 A 4 4 LYS N N 13 125.901 125.969 -0.068 1
1 44 . 8 1 1 A 5 5 LEU H H 14 8.887 8.763 0.124 1
1 45 . 8 1 1 A 5 5 LEU HA H 14 4.927 5.243 -0.316 1
1 51 . 8 1 1 A 5 5 LEU CA C 14 52.944 53.490 -0.546 1
1 52 . 8 1 1 A 5 5 LEU CB C 14 47.069 46.413 0.656 1
1 54 . 8 1 1 A 5 5 LEU N N 14 126.276 128.339 -2.063 1
1 55 . 8 1 1 A 6 6 ARG H H 15 9.361 8.607 0.754 1
1 56 . 8 1 1 A 6 6 ARG HA H 15 5.205 5.613 -0.408 1
1 61 . 8 1 1 A 6 6 ARG CA C 15 55.064 54.782 0.282 1
1 62 . 8 1 1 A 6 6 ARG CB C 15 31.979 32.516 -0.537 1
1 64 . 8 1 1 A 6 6 ARG N N 15 123.745 124.361 -0.616 1
1 65 . 8 1 1 A 7 7 LEU H H 16 9.694 8.697 0.997 1
1 66 . 8 1 1 A 7 7 LEU HA H 16 5.437 4.956 0.481 1
1 73 . 8 1 1 A 7 7 LEU CA C 16 53.777 53.661 0.116 1
1 74 . 8 1 1 A 7 7 LEU CB C 16 45.577 43.746 1.831 1
1 77 . 8 1 1 A 7 7 LEU N N 16 111.467 126.815 -15.348 1
1 78 . 8 1 1 A 8 8 THR H H 17 9.470 9.205 0.265 1
1 79 . 8 1 1 A 8 8 THR HA H 17 4.904 5.070 -0.166 1
1 84 . 8 1 1 A 8 8 THR CA C 17 62.827 62.128 0.699 1
1 85 . 8 1 1 A 8 8 THR CB C 17 69.540 69.082 0.458 1
1 87 . 8 1 1 A 8 8 THR N N 17 124.589 124.011 0.578 1
1 88 . 8 1 1 A 9 9 VAL H H 18 9.339 9.069 0.270 1
1 89 . 8 1 1 A 9 9 VAL HA H 18 4.374 4.278 0.096 1
1 97 . 8 1 1 A 9 9 VAL CA C 18 61.708 62.240 -0.532 1
1 98 . 8 1 1 A 9 9 VAL CB C 18 31.021 31.489 -0.468 1
1 101 . 8 1 1 A 9 9 VAL N N 18 127.963 127.235 0.728 1
1 102 . 8 1 1 A 10 10 LEU H H 19 8.957 8.440 0.517 1
1 103 . 8 1 1 A 10 10 LEU HA H 19 4.334 4.249 0.085 1
1 113 . 8 1 1 A 10 10 LEU CA C 19 59.232 57.712 1.520 1
1 114 . 8 1 1 A 10 10 LEU CB C 19 43.525 42.817 0.708 1
1 118 . 8 1 1 A 10 10 LEU N N 19 127.775 130.573 -2.798 1
1 119 . 8 1 1 A 11 11 CYS H H 20 8.038 7.729 0.309 1
1 120 . 8 1 1 A 11 11 CYS HA H 20 5.152 4.754 0.398 1
1 123 . 8 1 1 A 11 11 CYS CA C 20 55.928 57.276 -1.348 1
1 124 . 8 1 1 A 11 11 CYS CB C 20 30.655 30.197 0.458 1
1 125 . 8 1 1 A 11 11 CYS N N 20 109.968 112.780 -2.812 1
1 126 . 8 1 1 A 12 12 ALA H H 21 8.485 8.520 -0.035 1
1 127 . 8 1 1 A 12 12 ALA HA H 21 5.397 5.499 -0.102 1
1 131 . 8 1 1 A 12 12 ALA CA C 21 50.707 50.565 0.142 1
1 132 . 8 1 1 A 12 12 ALA CB C 21 22.550 23.339 -0.789 1
1 133 . 8 1 1 A 12 12 ALA N N 21 119.247 123.546 -4.299 1
1 134 . 8 1 1 A 13 13 LYS H H 22 8.905 8.827 0.078 1
1 135 . 8 1 1 A 13 13 LYS HA H 22 5.144 4.721 0.423 1
1 141 . 8 1 1 A 13 13 LYS CA C 22 54.063 54.720 -0.657 1
1 142 . 8 1 1 A 13 13 LYS CB C 22 37.217 36.044 1.173 1
1 146 . 8 1 1 A 13 13 LYS N N 22 117.934 118.998 -1.064 1
1 147 . 8 1 1 A 14 14 ASN H H 23 9.099 9.026 0.073 1
1 148 . 8 1 1 A 14 14 ASN HA H 23 4.187 4.300 -0.113 1
1 153 . 8 1 1 A 14 14 ASN CA C 23 53.735 53.876 -0.141 1
1 154 . 8 1 1 A 14 14 ASN CB C 23 37.736 36.946 0.790 1
1 155 . 8 1 1 A 14 14 ASN N N 23 118.684 120.254 -1.570 1
1 157 . 8 1 1 A 15 15 LEU H H 24 8.294 8.212 0.082 1
1 158 . 8 1 1 A 15 15 LEU HA H 24 5.161 4.298 0.863 1
1 165 . 8 1 1 A 15 15 LEU CA C 24 55.261 54.514 0.747 1
1 166 . 8 1 1 A 15 15 LEU CB C 24 42.966 42.011 0.955 1
1 169 . 8 1 1 A 15 15 LEU N N 24 114.373 120.694 -6.321 1
1 170 . 8 1 1 A 16 16 VAL H H 25 8.533 8.586 -0.053 1
1 171 . 8 1 1 A 16 16 VAL HA H 25 3.635 4.042 -0.407 1
1 179 . 8 1 1 A 16 16 VAL CA C 25 62.318 62.961 -0.643 1
1 180 . 8 1 1 A 16 16 VAL CB C 25 33.064 32.456 0.608 1
1 183 . 8 1 1 A 16 16 VAL N N 25 119.200 125.149 -5.949 1
1 184 . 8 1 1 A 17 17 LYS H H 26 7.950 8.365 -0.415 1
1 185 . 8 1 1 A 17 17 LYS HA H 26 4.302 4.028 0.274 1
1 192 . 8 1 1 A 17 17 LYS CA C 26 54.150 58.804 -4.654 1
1 193 . 8 1 1 A 17 17 LYS CB C 26 33.826 31.912 1.914 1
1 197 . 8 1 1 A 17 17 LYS N N 26 128.056 126.663 1.393 1
1 198 . 8 1 1 A 18 18 LYS H H 27 8.549 7.925 0.624 1
1 199 . 8 1 1 A 18 18 LYS HA H 27 4.078 3.925 0.153 1
1 207 . 8 1 1 A 18 18 LYS CA C 27 58.626 58.742 -0.116 1
1 208 . 8 1 1 A 18 18 LYS CB C 27 33.826 31.051 2.775 1
1 211 . 8 1 1 A 18 18 LYS N N 27 125.760 114.004 11.756 1
1 212 . 8 1 1 A 19 19 ASP H H 28 8.438 8.478 -0.040 1
1 213 . 8 1 1 A 19 19 ASP HA H 28 4.801 5.006 -0.205 1
1 216 . 8 1 1 A 19 19 ASP CA C 28 52.964 53.998 -1.034 1
1 217 . 8 1 1 A 19 19 ASP CB C 28 43.518 41.648 1.870 1
1 218 . 8 1 1 A 19 19 ASP N N 28 119.247 119.199 0.048 1
1 219 . 8 1 1 A 20 20 PHE H H 29 8.506 8.721 -0.215 1
1 220 . 8 1 1 A 20 20 PHE HA H 29 4.049 4.322 -0.273 1
1 227 . 8 1 1 A 20 20 PHE CA C 29 60.767 59.933 0.834 1
1 228 . 8 1 1 A 20 20 PHE CB C 29 39.305 38.882 0.423 1
1 231 . 8 1 1 A 20 20 PHE N N 29 122.011 125.662 -3.651 1
1 232 . 8 1 1 A 21 21 PHE H H 30 8.350 8.303 0.047 1
1 233 . 8 1 1 A 21 21 PHE HA H 30 4.677 4.279 0.398 1
1 240 . 8 1 1 A 21 21 PHE CA C 30 57.789 59.215 -1.426 1
1 241 . 8 1 1 A 21 21 PHE CB C 30 40.824 38.750 2.074 1
1 244 . 8 1 1 A 21 21 PHE N N 30 113.764 125.697 -11.933 1
1 245 . 8 1 1 A 22 22 ARG H H 31 7.631 7.844 -0.213 1
1 246 . 8 1 1 A 22 22 ARG HA H 31 4.614 4.531 0.083 1
1 252 . 8 1 1 A 22 22 ARG CA C 31 55.325 55.132 0.193 1
1 253 . 8 1 1 A 22 22 ARG CB C 31 33.640 32.099 1.541 1
1 256 . 8 1 1 A 22 22 ARG N N 31 118.778 120.737 -1.959 1
1 257 . 8 1 1 A 23 23 LEU H H 32 8.699 8.487 0.212 1
1 258 . 8 1 1 A 23 23 LEU HA H 32 4.509 4.822 -0.313 1
1 268 . 8 1 1 A 23 23 LEU CA C 32 52.758 51.054 1.704 1
1 269 . 8 1 1 A 23 23 LEU CB C 32 42.593 45.366 -2.773 1
1 273 . 8 1 1 A 23 23 LEU N N 32 123.464 121.207 2.257 1
1 274 . 8 1 1 A 24 24 PRO HA H 33 4.648 5.045 -0.397 1
1 281 . 8 1 1 A 24 24 PRO CA C 33 62.753 62.065 0.688 1
1 282 . 8 1 1 A 24 24 PRO CB C 33 33.965 32.637 1.328 1
1 285 . 8 1 1 A 25 25 ASP H H 34 7.463 8.637 -1.174 1
1 286 . 8 1 1 A 25 25 ASP HA H 34 6.052 5.951 0.101 1
1 289 . 8 1 1 A 25 25 ASP CA C 34 51.080 51.816 -0.736 1
1 290 . 8 1 1 A 25 25 ASP CB C 34 42.779 41.691 1.088 1
1 291 . 8 1 1 A 25 25 ASP N N 34 117.091 121.531 -4.440 1
1 292 . 8 1 1 A 26 26 PRO HA H 35 5.968 5.178 0.790 1
1 299 . 8 1 1 A 26 26 PRO CA C 35 62.827 62.872 -0.045 1
1 300 . 8 1 1 A 26 26 PRO CB C 35 35.132 32.956 2.176 1
1 303 . 8 1 1 A 27 27 PHE H H 36 9.284 8.818 0.466 1
1 304 . 8 1 1 A 27 27 PHE HA H 36 5.009 5.398 -0.389 1
1 312 . 8 1 1 A 27 27 PHE CA C 36 56.301 56.137 0.164 1
1 313 . 8 1 1 A 27 27 PHE CB C 36 42.689 41.257 1.432 1
1 317 . 8 1 1 A 27 27 PHE N N 36 120.090 118.769 1.321 1
1 318 . 8 1 1 A 28 28 ALA H H 37 8.408 8.664 -0.256 1
1 319 . 8 1 1 A 28 28 ALA HA H 37 5.481 5.312 0.169 1
1 323 . 8 1 1 A 28 28 ALA CA C 37 49.186 49.878 -0.692 1
1 324 . 8 1 1 A 28 28 ALA CB C 37 20.389 22.946 -2.557 1
1 325 . 8 1 1 A 28 28 ALA N N 37 122.433 121.376 1.057 1
1 326 . 8 1 1 A 29 29 LYS H H 38 9.617 8.918 0.699 1
1 327 . 8 1 1 A 29 29 LYS HA H 38 5.267 5.425 -0.158 1
1 335 . 8 1 1 A 29 29 LYS CA C 38 54.901 54.842 0.059 1
1 336 . 8 1 1 A 29 29 LYS CB C 38 36.624 36.597 0.027 1
1 340 . 8 1 1 A 29 29 LYS N N 38 121.964 118.459 3.505 1
1 341 . 8 1 1 A 30 30 VAL H H 39 9.159 8.735 0.424 1
1 342 . 8 1 1 A 30 30 VAL HA H 39 4.494 4.965 -0.471 1
1 350 . 8 1 1 A 30 30 VAL CA C 39 61.335 60.774 0.561 1
1 351 . 8 1 1 A 30 30 VAL CB C 39 34.954 34.490 0.464 1
1 354 . 8 1 1 A 30 30 VAL N N 39 124.497 121.322 3.175 1
1 355 . 8 1 1 A 31 31 VAL H H 40 8.659 8.677 -0.018 1
1 356 . 8 1 1 A 31 31 VAL HA H 40 5.091 4.898 0.193 1
1 364 . 8 1 1 A 31 31 VAL CA C 40 59.898 59.567 0.331 1
1 365 . 8 1 1 A 31 31 VAL CB C 40 36.959 35.792 1.167 1
1 368 . 8 1 1 A 31 31 VAL N N 40 124.589 120.777 3.812 1
1 369 . 8 1 1 A 32 32 VAL H H 41 7.786 8.908 -1.122 1
1 370 . 8 1 1 A 32 32 VAL HA H 41 4.660 4.630 0.030 1
1 378 . 8 1 1 A 32 32 VAL CA C 41 62.268 61.180 1.088 1
1 379 . 8 1 1 A 32 32 VAL CB C 41 30.995 32.686 -1.691 1
1 382 . 8 1 1 A 32 32 VAL N N 41 125.385 125.159 0.226 1
1 383 . 8 1 1 A 33 33 ASP H H 42 8.568 8.424 0.144 1
1 384 . 8 1 1 A 33 33 ASP HA H 42 4.310 4.673 -0.363 1
1 386 . 8 1 1 A 33 33 ASP CA C 42 57.321 53.578 3.743 1
1 387 . 8 1 1 A 33 33 ASP CB C 42 40.727 39.725 1.002 1
1 388 . 8 1 1 A 33 33 ASP N N 42 130.868 128.391 2.477 1
1 389 . 8 1 1 A 34 34 GLY HA2 H 43 4.230 4.061 0.169 1
1 390 . 8 1 1 A 34 34 GLY HA3 H 43 3.818 4.070 -0.252 1
1 391 . 8 1 1 A 34 34 GLY CA C 43 46.510 45.495 1.015 1
1 392 . 8 1 1 A 35 35 SER H H 44 8.049 7.576 0.473 1
1 393 . 8 1 1 A 35 35 SER HA H 44 4.928 4.957 -0.029 1
1 396 . 8 1 1 A 35 35 SER CA C 44 58.067 56.048 2.019 1
1 397 . 8 1 1 A 35 35 SER CB C 44 67.393 66.871 0.522 1
1 398 . 8 1 1 A 35 35 SER N N 44 115.029 113.011 2.018 1
1 399 . 8 1 1 A 36 36 GLY H H 45 8.637 8.860 -0.223 1
1 400 . 8 1 1 A 36 36 GLY HA2 H 45 4.338 3.828 0.510 1
1 401 . 8 1 1 A 36 36 GLY HA3 H 45 3.884 3.830 0.054 1
1 402 . 8 1 1 A 36 36 GLY CA C 45 46.137 47.307 -1.170 1
1 403 . 8 1 1 A 36 36 GLY N N 45 109.265 108.913 0.352 1
1 404 . 8 1 1 A 37 37 GLN H H 46 8.329 7.705 0.624 1
1 405 . 8 1 1 A 37 37 GLN HA H 46 4.339 4.841 -0.502 1
1 412 . 8 1 1 A 37 37 GLN CA C 46 56.002 54.516 1.486 1
1 413 . 8 1 1 A 37 37 GLN CB C 46 30.241 30.608 -0.367 1
1 415 . 8 1 1 A 37 37 GLN N N 46 120.699 119.307 1.392 1
1 417 . 8 1 1 A 38 38 CYS H H 47 7.787 8.934 -1.147 1
1 418 . 8 1 1 A 38 38 CYS HA H 47 5.257 5.713 -0.456 1
1 420 . 8 1 1 A 38 38 CYS CA C 47 56.761 56.894 -0.133 1
1 421 . 8 1 1 A 38 38 CYS CB C 47 29.250 30.746 -1.496 1
1 422 . 8 1 1 A 38 38 CYS N N 47 124.214 124.840 -0.626 1
1 423 . 8 1 1 A 39 39 HIS H H 48 8.906 8.487 0.419 1
1 424 . 8 1 1 A 39 39 HIS HA H 48 4.730 5.009 -0.279 1
1 428 . 8 1 1 A 39 39 HIS CA C 48 54.888 54.156 0.732 1
1 429 . 8 1 1 A 39 39 HIS CB C 48 34.688 34.281 0.407 1
1 431 . 8 1 1 A 39 39 HIS N N 48 125.807 122.134 3.673 1
1 432 . 8 1 1 A 40 40 SER H H 49 8.728 8.588 0.140 1
1 433 . 8 1 1 A 40 40 SER HA H 49 5.732 5.231 0.501 1
1 436 . 8 1 1 A 40 40 SER CA C 49 57.041 57.355 -0.314 1
1 437 . 8 1 1 A 40 40 SER CB C 49 66.274 66.572 -0.298 1
1 438 . 8 1 1 A 40 40 SER N N 49 116.034 114.230 1.804 1
1 439 . 8 1 1 A 41 41 THR H H 50 9.212 8.661 0.551 1
1 440 . 8 1 1 A 41 41 THR HA H 50 4.477 4.870 -0.393 1
1 445 . 8 1 1 A 41 41 THR CA C 50 61.457 60.549 0.908 1
1 446 . 8 1 1 A 41 41 THR CB C 50 72.337 70.250 2.087 1
1 448 . 8 1 1 A 41 41 THR N N 50 115.404 113.870 1.534 1
1 449 . 8 1 1 A 42 42 ASP H H 51 9.424 8.681 0.743 1
1 450 . 8 1 1 A 42 42 ASP HA H 51 4.676 4.594 0.082 1
1 453 . 8 1 1 A 42 42 ASP CA C 51 54.996 54.572 0.424 1
1 454 . 8 1 1 A 42 42 ASP CB C 51 41.543 41.160 0.383 1
1 455 . 8 1 1 A 42 42 ASP N N 51 119.340 122.836 -3.496 1
1 456 . 8 1 1 A 43 43 THR H H 52 8.650 8.505 0.145 1
1 457 . 8 1 1 A 43 43 THR HA H 52 4.858 5.045 -0.187 1
1 462 . 8 1 1 A 43 43 THR CA C 52 62.637 62.190 0.447 1
1 463 . 8 1 1 A 43 43 THR CB C 52 70.191 70.160 0.031 1
1 465 . 8 1 1 A 43 43 THR N N 52 117.836 117.687 0.149 1
1 466 . 8 1 1 A 44 44 VAL H H 53 8.266 9.264 -0.998 1
1 467 . 8 1 1 A 44 44 VAL HA H 53 4.363 4.495 -0.132 1
1 475 . 8 1 1 A 44 44 VAL CA C 53 61.086 61.118 -0.032 1
1 476 . 8 1 1 A 44 44 VAL CB C 53 33.361 33.614 -0.253 1
1 479 . 8 1 1 A 44 44 VAL N N 53 127.775 126.619 1.156 1
1 480 . 8 1 1 A 45 45 LYS H H 54 8.163 8.585 -0.422 1
1 481 . 8 1 1 A 45 45 LYS HA H 54 4.229 4.220 0.009 1
1 487 . 8 1 1 A 45 45 LYS CA C 54 56.627 56.778 -0.151 1
1 488 . 8 1 1 A 45 45 LYS CB C 54 33.739 32.733 1.006 1
1 492 . 8 1 1 A 45 45 LYS N N 54 120.934 127.838 -6.904 1
1 493 . 8 1 1 A 46 46 ASN H H 55 9.642 8.679 0.963 1
1 494 . 8 1 1 A 46 46 ASN HA H 55 4.150 4.579 -0.429 1
1 499 . 8 1 1 A 46 46 ASN CA C 55 54.029 53.787 0.242 1
1 500 . 8 1 1 A 46 46 ASN CB C 55 38.668 36.441 2.227 1
1 501 . 8 1 1 A 46 46 ASN N N 55 121.215 121.548 -0.333 1
1 503 . 8 1 1 A 47 47 THR H H 56 8.246 7.937 0.309 1
1 504 . 8 1 1 A 47 47 THR HA H 56 4.661 4.843 -0.182 1
1 509 . 8 1 1 A 47 47 THR CA C 56 60.963 60.170 0.793 1
1 510 . 8 1 1 A 47 47 THR CB C 56 68.512 70.337 -1.825 1
1 512 . 8 1 1 A 47 47 THR N N 56 111.936 117.794 -5.858 1
1 513 . 8 1 1 A 48 48 LEU H H 57 8.245 8.465 -0.220 1
1 514 . 8 1 1 A 48 48 LEU HA H 57 4.410 4.565 -0.155 1
1 524 . 8 1 1 A 48 48 LEU CA C 57 53.641 53.627 0.014 1
1 525 . 8 1 1 A 48 48 LEU CB C 57 41.570 41.599 -0.029 1
1 529 . 8 1 1 A 48 48 LEU N N 57 122.433 124.413 -1.980 1
1 530 . 8 1 1 A 49 49 ASP H H 58 8.544 7.835 0.709 1
1 531 . 8 1 1 A 49 49 ASP HA H 58 5.419 4.958 0.461 1
1 534 . 8 1 1 A 49 49 ASP CA C 58 51.826 51.756 0.070 1
1 535 . 8 1 1 A 49 49 ASP CB C 58 44.085 40.763 3.322 1
1 536 . 8 1 1 A 49 49 ASP N N 58 116.903 117.446 -0.543 1
1 537 . 8 1 1 A 50 50 PRO HA H 59 3.790 4.465 -0.675 1
1 543 . 8 1 1 A 50 50 PRO CA C 59 63.219 61.991 1.228 1
1 544 . 8 1 1 A 50 50 PRO CB C 59 32.661 32.694 -0.033 1
1 547 . 8 1 1 A 51 51 LYS H H 60 7.806 7.979 -0.173 1
1 548 . 8 1 1 A 51 51 LYS HA H 60 4.224 4.817 -0.593 1
1 555 . 8 1 1 A 51 51 LYS CA C 60 55.521 54.404 1.117 1
1 556 . 8 1 1 A 51 51 LYS CB C 60 33.826 36.333 -2.507 1
1 560 . 8 1 1 A 51 51 LYS N N 60 119.996 116.579 3.417 1
1 561 . 8 1 1 A 52 52 TRP H H 61 7.791 8.211 -0.420 1
1 562 . 8 1 1 A 52 52 TRP HA H 61 4.824 4.839 -0.015 1
1 570 . 8 1 1 A 52 52 TRP CA C 61 60.590 57.812 2.778 1
1 571 . 8 1 1 A 52 52 TRP CB C 61 29.715 31.299 -1.584 1
1 576 . 8 1 1 A 52 52 TRP N N 61 122.386 119.766 2.620 1
1 578 . 8 1 1 A 53 53 ASN H H 62 9.040 8.306 0.734 1
1 579 . 8 1 1 A 53 53 ASN HA H 62 4.419 4.375 0.044 1
1 584 . 8 1 1 A 53 53 ASN CA C 62 53.789 54.049 -0.260 1
1 585 . 8 1 1 A 53 53 ASN CB C 62 37.922 37.090 0.832 1
1 586 . 8 1 1 A 53 53 ASN N N 62 117.185 118.409 -1.224 1
1 588 . 8 1 1 A 54 54 GLN H H 63 7.512 7.439 0.073 1
1 589 . 8 1 1 A 54 54 GLN HA H 63 4.584 4.582 0.002 1
1 596 . 8 1 1 A 54 54 GLN CA C 63 55.008 53.658 1.350 1
1 597 . 8 1 1 A 54 54 GLN CB C 63 34.938 31.665 3.273 1
1 599 . 8 1 1 A 54 54 GLN N N 63 116.341 117.195 -0.854 1
1 601 . 8 1 1 A 55 55 HIS H H 64 7.782 8.126 -0.344 1
1 602 . 8 1 1 A 55 55 HIS HA H 64 5.796 5.579 0.217 1
1 606 . 8 1 1 A 55 55 HIS CA C 64 53.059 53.581 -0.522 1
1 607 . 8 1 1 A 55 55 HIS CB C 64 34.378 33.285 1.093 1
1 609 . 8 1 1 A 55 55 HIS N N 64 118.403 116.804 1.599 1
1 610 . 8 1 1 A 56 56 TYR H H 65 8.657 8.620 0.037 1
1 611 . 8 1 1 A 56 56 TYR HA H 65 4.404 4.771 -0.367 1
1 618 . 8 1 1 A 56 56 TYR CA C 65 57.430 56.303 1.127 1
1 619 . 8 1 1 A 56 56 TYR CB C 65 42.958 41.594 1.364 1
1 622 . 8 1 1 A 56 56 TYR N N 65 116.435 120.119 -3.684 1
1 623 . 8 1 1 A 57 57 ASP H H 66 8.772 8.568 0.204 1
1 624 . 8 1 1 A 57 57 ASP HA H 66 5.283 5.125 0.158 1
1 627 . 8 1 1 A 57 57 ASP CA C 66 54.250 53.280 0.970 1
1 628 . 8 1 1 A 57 57 ASP CB C 66 40.914 40.927 -0.013 1
1 629 . 8 1 1 A 57 57 ASP N N 66 124.776 123.587 1.189 1
1 630 . 8 1 1 A 58 58 LEU H H 67 9.175 8.423 0.752 1
1 631 . 8 1 1 A 58 58 LEU HA H 67 4.589 4.659 -0.070 1
1 641 . 8 1 1 A 58 58 LEU CA C 67 53.131 53.371 -0.240 1
1 642 . 8 1 1 A 58 58 LEU CB C 67 45.060 42.545 2.515 1
1 645 . 8 1 1 A 58 58 LEU N N 67 124.558 125.149 -0.591 1
1 646 . 8 1 1 A 59 59 TYR H H 68 8.877 8.598 0.279 1
1 647 . 8 1 1 A 59 59 TYR HA H 68 5.096 5.551 -0.455 1
1 654 . 8 1 1 A 59 59 TYR CA C 68 57.606 56.120 1.486 1
1 655 . 8 1 1 A 59 59 TYR CB C 68 39.422 42.707 -3.285 1
1 658 . 8 1 1 A 59 59 TYR N N 68 121.215 117.572 3.643 1
1 659 . 8 1 1 A 60 60 ILE H H 69 9.162 8.734 0.428 1
1 660 . 8 1 1 A 60 60 ILE HA H 69 4.551 4.970 -0.419 1
1 670 . 8 1 1 A 60 60 ILE CA C 69 59.471 59.921 -0.450 1
1 671 . 8 1 1 A 60 60 ILE CB C 69 40.500 42.227 -1.727 1
1 675 . 8 1 1 A 60 60 ILE N N 69 124.823 121.633 3.190 1
1 676 . 8 1 1 A 61 61 GLY H H 70 9.960 8.652 1.308 1
1 677 . 8 1 1 A 61 61 GLY HA2 H 70 4.517 4.310 0.207 1
1 678 . 8 1 1 A 61 61 GLY HA3 H 70 3.881 4.313 -0.432 1
1 679 . 8 1 1 A 61 61 GLY CA C 70 44.083 44.472 -0.389 1
1 680 . 8 1 1 A 61 61 GLY N N 70 117.841 112.160 5.681 1
1 681 . 8 1 1 A 62 62 LYS H H 71 8.605 8.466 0.139 1
1 682 . 8 1 1 A 62 62 LYS HA H 71 4.090 3.980 0.110 1
1 687 . 8 1 1 A 62 62 LYS CA C 71 59.447 59.096 0.351 1
1 688 . 8 1 1 A 62 62 LYS CB C 71 33.453 32.085 1.368 1
1 692 . 8 1 1 A 62 62 LYS N N 71 119.434 120.195 -0.761 1
1 693 . 8 1 1 A 63 63 SER H H 72 8.544 7.924 0.620 1
1 694 . 8 1 1 A 63 63 SER HA H 72 4.811 4.720 0.091 1
1 696 . 8 1 1 A 63 63 SER CA C 72 57.606 56.770 0.836 1
1 697 . 8 1 1 A 63 63 SER CB C 72 64.013 63.368 0.645 1
1 698 . 8 1 1 A 63 63 SER N N 72 111.842 108.870 2.972 1
1 699 . 8 1 1 A 64 64 ASP H H 73 7.247 7.882 -0.635 1
1 700 . 8 1 1 A 64 64 ASP HA H 73 4.867 5.485 -0.618 1
1 702 . 8 1 1 A 64 64 ASP CA C 73 55.500 53.052 2.448 1
1 703 . 8 1 1 A 64 64 ASP CB C 73 43.331 44.451 -1.120 1
1 704 . 8 1 1 A 64 64 ASP N N 73 121.964 123.886 -1.922 1
1 705 . 8 1 1 A 65 65 SER H H 74 8.742 8.913 -0.171 1
1 706 . 8 1 1 A 65 65 SER HA H 74 5.074 5.255 -0.181 1
1 708 . 8 1 1 A 65 65 SER CA C 74 56.301 56.949 -0.648 1
1 709 . 8 1 1 A 65 65 SER CB C 74 67.579 66.207 1.372 1
1 710 . 8 1 1 A 65 65 SER N N 74 111.936 115.856 -3.920 1
1 711 . 8 1 1 A 66 66 VAL H H 75 8.622 8.465 0.157 1
1 712 . 8 1 1 A 66 66 VAL HA H 75 5.095 4.966 0.129 1
1 720 . 8 1 1 A 66 66 VAL CA C 75 60.217 60.641 -0.424 1
1 721 . 8 1 1 A 66 66 VAL CB C 75 36.617 34.876 1.741 1
1 724 . 8 1 1 A 66 66 VAL N N 75 119.422 122.005 -2.583 1
1 725 . 8 1 1 A 67 67 THR H H 76 9.152 8.834 0.318 1
1 726 . 8 1 1 A 67 67 THR HA H 76 5.199 4.996 0.203 1
1 731 . 8 1 1 A 67 67 THR CA C 76 63.014 62.014 1.000 1
1 732 . 8 1 1 A 67 67 THR CB C 76 69.703 71.236 -1.533 1
1 734 . 8 1 1 A 67 67 THR N N 76 123.839 123.051 0.788 1
1 735 . 8 1 1 A 68 68 ILE H H 77 9.106 8.933 0.173 1
1 736 . 8 1 1 A 68 68 ILE HA H 77 5.389 4.929 0.460 1
1 746 . 8 1 1 A 68 68 ILE CA C 77 59.844 60.321 -0.477 1
1 747 . 8 1 1 A 68 68 ILE CB C 77 40.347 39.241 1.106 1
1 751 . 8 1 1 A 68 68 ILE N N 77 129.275 129.831 -0.556 1
1 752 . 8 1 1 A 69 69 SER H H 78 9.645 9.269 0.376 1
1 753 . 8 1 1 A 69 69 SER HA H 78 5.265 5.430 -0.165 1
1 756 . 8 1 1 A 69 69 SER CA C 78 56.114 55.700 0.414 1
1 757 . 8 1 1 A 69 69 SER CB C 78 66.087 66.463 -0.376 1
1 758 . 8 1 1 A 69 69 SER N N 78 120.559 121.129 -0.570 1
1 759 . 8 1 1 A 70 70 VAL H H 79 8.482 8.295 0.187 1
1 760 . 8 1 1 A 70 70 VAL HA H 79 4.676 4.699 -0.023 1
1 768 . 8 1 1 A 70 70 VAL CA C 79 60.852 61.134 -0.282 1
1 769 . 8 1 1 A 70 70 VAL CB C 79 32.992 34.229 -1.237 1
1 772 . 8 1 1 A 70 70 VAL N N 79 121.777 120.113 1.664 1
1 773 . 8 1 1 A 71 71 TRP H H 80 8.627 8.374 0.253 1
1 774 . 8 1 1 A 71 71 TRP HA H 80 4.930 5.052 -0.122 1
1 783 . 8 1 1 A 71 71 TRP CA C 80 55.182 54.794 0.388 1
1 784 . 8 1 1 A 71 71 TRP CB C 80 34.058 31.846 2.212 1
1 790 . 8 1 1 A 71 71 TRP N N 80 124.474 126.283 -1.809 1
1 792 . 8 1 1 A 72 72 ASN H H 81 9.891 8.964 0.927 1
1 793 . 8 1 1 A 72 72 ASN HA H 81 4.789 4.916 -0.127 1
1 798 . 8 1 1 A 72 72 ASN CA C 81 51.049 51.766 -0.717 1
1 799 . 8 1 1 A 72 72 ASN CB C 81 39.091 38.121 0.970 1
1 800 . 8 1 1 A 72 72 ASN N N 81 116.435 122.522 -6.087 1
1 802 . 8 1 1 A 73 73 HIS H H 82 9.967 9.190 0.777 1
1 803 . 8 1 1 A 73 73 HIS HA H 82 4.499 4.437 0.062 1
1 806 . 8 1 1 A 73 73 HIS CA C 82 60.788 60.623 0.165 1
1 807 . 8 1 1 A 73 73 HIS CB C 82 32.327 30.832 1.495 1
1 808 . 8 1 1 A 73 73 HIS N N 82 127.963 126.200 1.763 1
1 809 . 8 1 1 A 74 74 LYS H H 83 7.764 8.244 -0.480 1
1 810 . 8 1 1 A 74 74 LYS HA H 83 4.297 3.933 0.364 1
1 817 . 8 1 1 A 74 74 LYS CA C 83 59.232 60.020 -0.788 1
1 818 . 8 1 1 A 74 74 LYS CB C 83 33.640 32.323 1.317 1
1 822 . 8 1 1 A 74 74 LYS N N 83 112.592 118.855 -6.263 1
1 823 . 8 1 1 A 75 75 LYS H H 84 7.626 7.806 -0.180 1
1 824 . 8 1 1 A 75 75 LYS HA H 84 4.607 4.220 0.387 1
1 832 . 8 1 1 A 75 75 LYS CA C 84 55.828 59.037 -3.209 1
1 833 . 8 1 1 A 75 75 LYS CB C 84 36.064 32.191 3.873 1
1 837 . 8 1 1 A 75 75 LYS N N 84 114.560 118.067 -3.507 1
1 838 . 8 1 1 A 76 76 ILE H H 85 7.021 8.159 -1.138 1
1 839 . 8 1 1 A 76 76 ILE HA H 85 4.132 4.354 -0.222 1
1 849 . 8 1 1 A 76 76 ILE CA C 85 64.013 64.214 -0.201 1
1 850 . 8 1 1 A 76 76 ILE CB C 85 39.146 37.638 1.508 1
1 854 . 8 1 1 A 76 76 ILE N N 85 113.811 117.431 -3.620 1
1 855 . 8 1 1 A 77 77 HIS H H 86 8.335 7.628 0.707 1
1 856 . 8 1 1 A 77 77 HIS HA H 86 4.612 4.221 0.391 1
1 859 . 8 1 1 A 77 77 HIS CA C 86 56.815 58.295 -1.480 1
1 860 . 8 1 1 A 77 77 HIS CB C 86 30.461 30.616 -0.155 1
1 862 . 8 1 1 A 77 77 HIS N N 86 117.841 122.928 -5.087 1
1 863 . 8 1 1 A 78 78 LYS H H 87 7.587 7.511 0.076 1
1 864 . 8 1 1 A 78 78 LYS HA H 87 4.094 3.921 0.173 1
1 870 . 8 1 1 A 78 78 LYS CA C 87 57.628 59.619 -1.991 1
1 871 . 8 1 1 A 78 78 LYS CB C 87 32.893 33.038 -0.145 1
1 875 . 8 1 1 A 78 78 LYS N N 87 120.652 119.106 1.546 1
1 876 . 8 1 1 A 79 79 LYS H H 88 7.585 7.269 0.316 1
1 877 . 8 1 1 A 79 79 LYS HA H 88 4.304 4.536 -0.232 1
1 883 . 8 1 1 A 79 79 LYS CA C 88 56.467 55.015 1.452 1
1 884 . 8 1 1 A 79 79 LYS CB C 88 34.013 35.809 -1.796 1
1 888 . 8 1 1 A 79 79 LYS N N 88 115.872 117.405 -1.533 1
1 889 . 8 1 1 A 80 80 GLN H H 89 8.625 8.458 0.167 1
1 890 . 8 1 1 A 80 80 GLN HA H 89 4.192 3.974 0.218 1
1 893 . 8 1 1 A 80 80 GLN CA C 89 57.590 57.684 -0.094 1
1 894 . 8 1 1 A 80 80 GLN CB C 89 28.331 28.338 -0.007 1
1 896 . 8 1 1 A 80 80 GLN N N 89 121.308 120.937 0.371 1
1 897 . 8 1 1 A 81 81 GLY H H 90 8.791 8.963 -0.172 1
1 898 . 8 1 1 A 81 81 GLY HA2 H 90 4.332 4.029 0.303 1
1 899 . 8 1 1 A 81 81 GLY HA3 H 90 3.850 4.057 -0.207 1
1 900 . 8 1 1 A 81 81 GLY CA C 90 45.950 45.393 0.557 1
1 901 . 8 1 1 A 81 81 GLY N N 90 112.984 114.909 -1.925 1
1 902 . 8 1 1 A 82 82 ALA H H 91 7.951 7.967 -0.016 1
1 903 . 8 1 1 A 82 82 ALA HA H 91 4.485 4.213 0.272 1
1 907 . 8 1 1 A 82 82 ALA CA C 91 53.404 53.726 -0.322 1
1 908 . 8 1 1 A 82 82 ALA CB C 91 20.762 18.460 2.302 1
1 909 . 8 1 1 A 82 82 ALA N N 91 123.745 123.650 0.095 1
1 910 . 8 1 1 A 83 83 GLY H H 92 8.860 8.906 -0.046 1
1 911 . 8 1 1 A 83 83 GLY HA2 H 92 4.270 4.228 0.042 1
1 912 . 8 1 1 A 83 83 GLY HA3 H 92 4.262 4.338 -0.076 1
1 913 . 8 1 1 A 83 83 GLY CA C 92 46.689 45.271 1.418 1
1 914 . 8 1 1 A 83 83 GLY N N 92 105.564 111.063 -5.499 1
1 915 . 8 1 1 A 84 84 PHE H H 93 8.113 7.955 0.158 1
1 916 . 8 1 1 A 84 84 PHE HA H 93 3.440 4.292 -0.852 1
1 924 . 8 1 1 A 84 84 PHE CA C 93 59.932 57.147 2.785 1
1 925 . 8 1 1 A 84 84 PHE CB C 93 39.141 41.034 -1.893 1
1 929 . 8 1 1 A 84 84 PHE N N 93 121.215 120.579 0.636 1
1 930 . 8 1 1 A 85 85 LEU H H 94 8.204 7.312 0.892 1
1 931 . 8 1 1 A 85 85 LEU HA H 94 4.334 4.369 -0.035 1
1 938 . 8 1 1 A 85 85 LEU CA C 94 53.569 55.031 -1.462 1
1 939 . 8 1 1 A 85 85 LEU CB C 94 43.255 43.767 -0.512 1
1 942 . 8 1 1 A 85 85 LEU N N 94 125.432 125.015 0.417 1
1 943 . 8 1 1 A 86 86 GLY HA2 H 95 4.222 3.790 0.432 1
1 944 . 8 1 1 A 86 86 GLY HA3 H 95 3.147 3.831 -0.684 1
1 945 . 8 1 1 A 86 86 GLY CA C 95 45.570 45.571 -0.001 1
1 946 . 8 1 1 A 87 87 CYS H H 96 9.230 8.551 0.679 1
1 947 . 8 1 1 A 87 87 CYS HA H 96 5.838 5.368 0.470 1
1 949 . 8 1 1 A 87 87 CYS CA C 96 55.882 57.558 -1.676 1
1 950 . 8 1 1 A 87 87 CYS CB C 96 33.259 29.477 3.782 1
1 951 . 8 1 1 A 87 87 CYS N N 96 114.935 121.921 -6.986 1
1 952 . 8 1 1 A 88 88 VAL H H 97 9.242 9.082 0.160 1
1 953 . 8 1 1 A 88 88 VAL HA H 97 4.575 4.824 -0.249 1
1 961 . 8 1 1 A 88 88 VAL CA C 97 61.769 60.205 1.564 1
1 962 . 8 1 1 A 88 88 VAL CB C 97 35.684 33.969 1.715 1
1 965 . 8 1 1 A 88 88 VAL N N 97 115.966 125.862 -9.896 1
1 966 . 8 1 1 A 89 89 ARG H H 98 8.665 9.148 -0.483 1
1 967 . 8 1 1 A 89 89 ARG HA H 98 5.166 5.138 0.028 1
1 973 . 8 1 1 A 89 89 ARG CA C 98 54.929 54.415 0.514 1
1 974 . 8 1 1 A 89 89 ARG CB C 98 31.961 33.591 -1.630 1
1 977 . 8 1 1 A 89 89 ARG N N 98 125.526 129.880 -4.354 1
1 978 . 8 1 1 A 90 90 LEU H H 99 9.611 8.570 1.041 1
1 979 . 8 1 1 A 90 90 LEU HA H 99 4.644 5.084 -0.440 1
1 989 . 8 1 1 A 90 90 LEU CA C 99 53.217 53.306 -0.089 1
1 990 . 8 1 1 A 90 90 LEU CB C 99 43.339 45.235 -1.896 1
1 994 . 8 1 1 A 90 90 LEU N N 99 127.119 126.777 0.342 1
1 995 . 8 1 1 A 91 91 LEU H H 100 7.953 8.546 -0.593 1
1 996 . 8 1 1 A 91 91 LEU HA H 100 4.540 4.639 -0.099 1
1 1005 . 8 1 1 A 91 91 LEU CA C 100 54.523 53.892 0.631 1
1 1006 . 8 1 1 A 91 91 LEU CB C 100 42.593 42.347 0.246 1
1 1010 . 8 1 1 A 91 91 LEU N N 100 122.527 125.795 -3.268 1
1 1011 . 8 1 1 A 92 92 SER H H 101 8.754 8.924 -0.170 1
1 1012 . 8 1 1 A 92 92 SER HA H 101 3.950 4.119 -0.169 1
1 1013 . 8 1 1 A 92 92 SER CA C 101 63.171 61.609 1.562 1
1 1014 . 8 1 1 A 92 92 SER N N 101 115.966 117.540 -1.574 1
1 1015 . 8 1 1 A 93 93 ASN H H 102 7.765 8.557 -0.792 1
1 1016 . 8 1 1 A 93 93 ASN HA H 102 4.500 4.457 0.043 1
1 1020 . 8 1 1 A 93 93 ASN CA C 102 56.487 56.026 0.461 1
1 1021 . 8 1 1 A 93 93 ASN CB C 102 37.514 37.827 -0.313 1
1 1022 . 8 1 1 A 93 93 ASN N N 102 116.950 117.868 -0.918 1
1 1024 . 8 1 1 A 94 94 ALA H H 103 7.345 7.742 -0.397 1
1 1025 . 8 1 1 A 94 94 ALA HA H 103 4.230 4.109 0.121 1
1 1029 . 8 1 1 A 94 94 ALA CA C 103 54.843 55.213 -0.370 1
1 1030 . 8 1 1 A 94 94 ALA CB C 103 19.643 18.182 1.461 1
1 1031 . 8 1 1 A 94 94 ALA N N 103 124.495 121.813 2.682 1
1 1032 . 8 1 1 A 95 95 ILE H H 104 8.322 8.199 0.123 1
1 1033 . 8 1 1 A 95 95 ILE HA H 104 3.280 3.610 -0.330 1
1 1043 . 8 1 1 A 95 95 ILE CA C 104 66.184 64.615 1.569 1
1 1044 . 8 1 1 A 95 95 ILE CB C 104 37.922 37.393 0.529 1
1 1048 . 8 1 1 A 95 95 ILE N N 104 119.310 119.368 -0.058 1
1 1049 . 8 1 1 A 96 96 ASN H H 105 7.815 7.771 0.044 1
1 1050 . 8 1 1 A 96 96 ASN HA H 105 4.332 4.468 -0.136 1
1 1052 . 8 1 1 A 96 96 ASN CA C 105 56.487 56.105 0.382 1
1 1053 . 8 1 1 A 96 96 ASN CB C 105 38.855 38.129 0.726 1
1 1054 . 8 1 1 A 96 96 ASN N N 105 114.748 118.898 -4.150 1
1 1055 . 8 1 1 A 97 97 ARG H H 106 7.595 7.743 -0.148 1
1 1056 . 8 1 1 A 97 97 ARG HA H 106 4.257 4.116 0.141 1
1 1061 . 8 1 1 A 97 97 ARG CA C 106 58.294 58.888 -0.594 1
1 1062 . 8 1 1 A 97 97 ARG CB C 106 31.401 29.622 1.779 1
1 1065 . 8 1 1 A 97 97 ARG N N 106 117.934 119.334 -1.400 1
1 1066 . 8 1 1 A 98 98 LEU H H 107 8.179 8.530 -0.351 1
1 1067 . 8 1 1 A 98 98 LEU HA H 107 4.288 4.298 -0.010 1
1 1077 . 8 1 1 A 98 98 LEU CA C 107 55.735 57.692 -1.957 1
1 1078 . 8 1 1 A 98 98 LEU CB C 107 44.264 41.332 2.932 1
1 1082 . 8 1 1 A 98 98 LEU N N 107 116.341 119.246 -2.905 1
1 1083 . 8 1 1 A 99 99 LYS H H 108 8.058 8.803 -0.745 1
1 1084 . 8 1 1 A 99 99 LYS HA H 108 4.078 4.053 0.025 1
1 1091 . 8 1 1 A 99 99 LYS CA C 108 58.256 58.901 -0.645 1
1 1092 . 8 1 1 A 99 99 LYS CB C 108 32.520 31.860 0.660 1
1 1096 . 8 1 1 A 99 99 LYS N N 108 123.558 118.062 5.496 1
1 1097 . 8 1 1 A 100 100 ASP H H 109 9.305 7.611 1.694 1
1 1098 . 8 1 1 A 100 100 ASP HA H 109 4.672 4.487 0.185 1
1 1101 . 8 1 1 A 100 100 ASP CA C 109 57.047 56.417 0.630 1
1 1102 . 8 1 1 A 100 100 ASP CB C 109 39.041 41.136 -2.095 1
1 1103 . 8 1 1 A 100 100 ASP N N 109 115.779 119.632 -3.853 1
1 1104 . 8 1 1 A 101 101 THR H H 110 7.546 7.621 -0.075 1
1 1105 . 8 1 1 A 101 101 THR HA H 110 4.675 4.133 0.542 1
1 1110 . 8 1 1 A 101 101 THR CA C 110 61.895 63.785 -1.890 1
1 1111 . 8 1 1 A 101 101 THR CB C 110 70.432 69.319 1.113 1
1 1113 . 8 1 1 A 101 101 THR N N 110 129.087 110.099 18.988 1
1 1114 . 8 1 1 A 102 102 GLY H H 111 8.921 8.167 0.754 1
1 1115 . 8 1 1 A 102 102 GLY HA2 H 111 4.337 3.772 0.565 1
1 1116 . 8 1 1 A 102 102 GLY HA3 H 111 3.563 3.794 -0.231 1
1 1117 . 8 1 1 A 102 102 GLY CA C 111 44.062 45.371 -1.309 1
1 1118 . 8 1 1 A 102 102 GLY N N 111 112.780 110.674 2.106 1
1 1119 . 8 1 1 A 103 103 TYR H H 112 8.255 8.041 0.214 1
1 1120 . 8 1 1 A 103 103 TYR HA H 112 4.574 5.466 -0.892 1
1 1127 . 8 1 1 A 103 103 TYR CA C 112 59.745 56.535 3.210 1
1 1128 . 8 1 1 A 103 103 TYR CB C 112 38.295 41.456 -3.161 1
1 1131 . 8 1 1 A 103 103 TYR N N 112 117.653 118.504 -0.851 1
1 1132 . 8 1 1 A 104 104 GLN H H 113 9.435 9.045 0.390 1
1 1133 . 8 1 1 A 104 104 GLN HA H 113 4.659 5.053 -0.394 1
1 1140 . 8 1 1 A 104 104 GLN CA C 113 53.852 54.153 -0.301 1
1 1141 . 8 1 1 A 104 104 GLN CB C 113 31.128 31.779 -0.651 1
1 1143 . 8 1 1 A 104 104 GLN N N 113 121.964 123.726 -1.762 1
1 1145 . 8 1 1 A 105 105 ARG H H 114 8.670 8.950 -0.280 1
1 1146 . 8 1 1 A 105 105 ARG HA H 114 4.838 4.935 -0.097 1
1 1151 . 8 1 1 A 105 105 ARG CA C 114 55.090 55.269 -0.179 1
1 1152 . 8 1 1 A 105 105 ARG CB C 114 31.401 30.570 0.831 1
1 1155 . 8 1 1 A 105 105 ARG N N 114 122.246 124.113 -1.867 1
1 1156 . 8 1 1 A 106 106 LEU H H 115 9.269 8.846 0.423 1
1 1157 . 8 1 1 A 106 106 LEU HA H 115 4.843 4.808 0.035 1
1 1163 . 8 1 1 A 106 106 LEU CA C 115 53.317 53.801 -0.484 1
1 1164 . 8 1 1 A 106 106 LEU CB C 115 44.570 42.578 1.992 1
1 1166 . 8 1 1 A 106 106 LEU N N 115 126.088 126.969 -0.881 1
1 1167 . 8 1 1 A 107 107 ASP H H 116 8.582 8.714 -0.132 1
1 1168 . 8 1 1 A 107 107 ASP HA H 116 4.748 4.706 0.042 1
1 1171 . 8 1 1 A 107 107 ASP CA C 116 55.402 54.501 0.901 1
1 1172 . 8 1 1 A 107 107 ASP CB C 116 41.280 41.174 0.106 1
1 1173 . 8 1 1 A 107 107 ASP N N 116 122.714 125.210 -2.496 1
1 1174 . 8 1 1 A 108 108 LEU H H 117 8.067 8.623 -0.556 1
1 1175 . 8 1 1 A 108 108 LEU HA H 117 4.195 4.533 -0.338 1
1 1185 . 8 1 1 A 108 108 LEU CA C 117 55.308 54.859 0.449 1
1 1186 . 8 1 1 A 108 108 LEU CB C 117 42.871 41.650 1.221 1
1 1190 . 8 1 1 A 108 108 LEU N N 117 121.121 124.647 -3.526 1
1 1191 . 8 1 1 A 109 109 CYS H H 118 9.705 8.643 1.062 1
1 1192 . 8 1 1 A 109 109 CYS HA H 118 4.839 4.894 -0.055 1
1 1195 . 8 1 1 A 109 109 CYS CA C 118 57.979 57.962 0.017 1
1 1196 . 8 1 1 A 109 109 CYS CB C 118 31.953 32.108 -0.155 1
1 1197 . 8 1 1 A 109 109 CYS N N 118 118.403 122.416 -4.013 1
1 1198 . 8 1 1 A 110 110 LYS H H 119 8.419 8.376 0.043 1
1 1199 . 8 1 1 A 110 110 LYS HA H 119 4.426 4.530 -0.104 1
1 1207 . 8 1 1 A 110 110 LYS CA C 119 56.957 56.537 0.420 1
1 1208 . 8 1 1 A 110 110 LYS CB C 119 34.386 33.054 1.332 1
1 1212 . 8 1 1 A 110 110 LYS N N 119 120.090 121.353 -1.263 1
1 1213 . 8 1 1 A 111 111 LEU H H 120 9.016 8.235 0.781 1
1 1214 . 8 1 1 A 111 111 LEU HA H 120 4.054 3.930 0.124 1
1 1223 . 8 1 1 A 111 111 LEU CA C 120 57.694 57.419 0.275 1
1 1224 . 8 1 1 A 111 111 LEU CB C 120 43.062 42.004 1.058 1
1 1227 . 8 1 1 A 111 111 LEU N N 120 123.089 120.862 2.227 1
1 1228 . 8 1 1 A 112 112 GLY H H 121 7.578 7.376 0.202 1
1 1229 . 8 1 1 A 112 112 GLY HA2 H 121 4.320 4.033 0.287 1
1 1230 . 8 1 1 A 112 112 GLY HA3 H 121 3.863 4.044 -0.181 1
1 1231 . 8 1 1 A 112 112 GLY CA C 121 44.644 45.117 -0.473 1
1 1232 . 8 1 1 A 112 112 GLY N N 121 105.939 104.099 1.840 1
1 1233 . 8 1 1 A 113 113 PRO HA H 122 4.365 4.361 0.004 1
1 1240 . 8 1 1 A 113 113 PRO CA C 122 64.692 64.309 0.383 1
1 1241 . 8 1 1 A 113 113 PRO CB C 122 32.663 32.046 0.617 1
1 1244 . 8 1 1 A 114 114 ASN H H 123 8.603 8.600 0.003 1
1 1245 . 8 1 1 A 114 114 ASN HA H 123 4.899 4.831 0.068 1
1 1250 . 8 1 1 A 114 114 ASN CA C 123 52.944 52.836 0.108 1
1 1251 . 8 1 1 A 114 114 ASN CB C 123 39.041 38.369 0.672 1
1 1252 . 8 1 1 A 114 114 ASN N N 123 115.591 115.964 -0.373 1
1 1254 . 8 1 1 A 115 115 ASP H H 124 7.507 7.715 -0.208 1
1 1255 . 8 1 1 A 115 115 ASP HA H 124 4.507 5.041 -0.534 1
1 1258 . 8 1 1 A 115 115 ASP CA C 124 54.843 53.268 1.575 1
1 1259 . 8 1 1 A 115 115 ASP CB C 124 41.620 42.873 -1.253 1
1 1260 . 8 1 1 A 115 115 ASP N N 124 121.215 118.406 2.809 1
1 1261 . 8 1 1 A 116 116 ASN H H 125 8.741 9.025 -0.284 1
1 1262 . 8 1 1 A 116 116 ASN HA H 125 4.823 4.786 0.037 1
1 1267 . 8 1 1 A 116 116 ASN CA C 125 53.447 53.507 -0.060 1
1 1268 . 8 1 1 A 116 116 ASN CB C 125 43.830 38.543 5.287 1
1 1269 . 8 1 1 A 116 116 ASN N N 125 120.137 125.035 -4.898 1
1 1271 . 8 1 1 A 117 117 ASP H H 126 8.039 8.577 -0.538 1
1 1272 . 8 1 1 A 117 117 ASP HA H 126 4.745 5.243 -0.498 1
1 1274 . 8 1 1 A 117 117 ASP CA C 126 54.436 52.411 2.025 1
1 1275 . 8 1 1 A 117 117 ASP CB C 126 42.046 44.839 -2.793 1
1 1276 . 8 1 1 A 117 117 ASP N N 126 120.746 126.689 -5.943 1
1 1277 . 8 1 1 A 118 118 THR H H 127 8.361 8.659 -0.298 1
1 1278 . 8 1 1 A 118 118 THR HA H 127 4.331 4.999 -0.668 1
1 1283 . 8 1 1 A 118 118 THR CA C 127 62.454 60.005 2.449 1
1 1284 . 8 1 1 A 118 118 THR CB C 127 70.191 68.813 1.378 1
1 1286 . 8 1 1 A 118 118 THR N N 127 116.903 111.717 5.186 1
1 1287 . 8 1 1 A 119 119 VAL H H 128 8.152 8.554 -0.402 1
1 1288 . 8 1 1 A 119 119 VAL HA H 128 4.172 5.024 -0.852 1
1 1296 . 8 1 1 A 119 119 VAL CA C 128 61.051 60.222 0.829 1
1 1297 . 8 1 1 A 119 119 VAL CB C 128 35.124 35.645 -0.521 1
1 1300 . 8 1 1 A 119 119 VAL N N 128 119.903 124.447 -4.544 1
1 1301 . 8 1 1 A 120 120 ARG H H 129 7.884 8.674 -0.790 1
1 1302 . 8 1 1 A 120 120 ARG HA H 129 4.719 4.810 -0.091 1
1 1307 . 8 1 1 A 120 120 ARG CA C 129 55.555 56.098 -0.543 1
1 1308 . 8 1 1 A 120 120 ARG CB C 129 34.945 32.719 2.226 1
1 1311 . 8 1 1 A 120 120 ARG N N 129 122.621 125.290 -2.669 1
1 1312 . 8 1 1 A 121 121 GLY H H 130 8.289 8.100 0.189 1
1 1313 . 8 1 1 A 121 121 GLY HA2 H 130 4.605 4.161 0.444 1
1 1314 . 8 1 1 A 121 121 GLY HA3 H 130 3.803 4.169 -0.366 1
1 1315 . 8 1 1 A 121 121 GLY CA C 130 45.756 45.721 0.035 1
1 1316 . 8 1 1 A 121 121 GLY N N 130 107.626 112.839 -5.213 1
1 1317 . 8 1 1 A 122 122 GLN H H 131 8.408 8.669 -0.261 1
1 1318 . 8 1 1 A 122 122 GLN HA H 131 5.434 5.272 0.162 1
1 1323 . 8 1 1 A 122 122 GLN CA C 131 54.809 54.132 0.677 1
1 1324 . 8 1 1 A 122 122 GLN CB C 131 34.756 33.417 1.339 1
1 1326 . 8 1 1 A 122 122 GLN N N 131 114.654 117.986 -3.332 1
1 1328 . 8 1 1 A 123 123 ILE H H 132 9.273 8.469 0.804 1
1 1329 . 8 1 1 A 123 123 ILE HA H 132 5.207 4.697 0.510 1
1 1339 . 8 1 1 A 123 123 ILE CA C 132 59.284 60.120 -0.836 1
1 1340 . 8 1 1 A 123 123 ILE CB C 132 44.085 41.581 2.504 1
1 1344 . 8 1 1 A 123 123 ILE N N 132 118.216 121.420 -3.204 1
1 1345 . 8 1 1 A 124 124 VAL H H 133 8.750 9.365 -0.615 1
1 1346 . 8 1 1 A 124 124 VAL HA H 133 5.338 4.801 0.537 1
1 1354 . 8 1 1 A 124 124 VAL CA C 133 61.611 61.662 -0.051 1
1 1355 . 8 1 1 A 124 124 VAL CB C 133 32.620 32.757 -0.137 1
1 1358 . 8 1 1 A 124 124 VAL N N 133 126.088 128.970 -2.882 1
1 1359 . 8 1 1 A 125 125 VAL H H 134 8.698 9.345 -0.647 1
1 1360 . 8 1 1 A 125 125 VAL HA H 134 5.859 5.588 0.271 1
1 1368 . 8 1 1 A 125 125 VAL CA C 134 57.880 59.246 -1.366 1
1 1369 . 8 1 1 A 125 125 VAL CB C 134 36.990 36.445 0.545 1
1 1372 . 8 1 1 A 125 125 VAL N N 134 117.895 121.789 -3.894 1
1 1373 . 8 1 1 A 126 126 SER H H 135 8.746 8.766 -0.020 1
1 1374 . 8 1 1 A 126 126 SER HA H 135 4.881 5.347 -0.466 1
1 1377 . 8 1 1 A 126 126 SER CA C 135 56.860 56.898 -0.038 1
1 1378 . 8 1 1 A 126 126 SER CB C 135 66.695 65.854 0.841 1
1 1379 . 8 1 1 A 126 126 SER N N 135 112.967 115.375 -2.408 1
1 1380 . 8 1 1 A 127 127 LEU H H 136 9.710 9.008 0.702 1
1 1381 . 8 1 1 A 127 127 LEU HA H 136 5.244 4.961 0.283 1
1 1390 . 8 1 1 A 127 127 LEU CA C 136 54.436 53.454 0.982 1
1 1391 . 8 1 1 A 127 127 LEU CB C 136 46.137 42.250 3.887 1
1 1395 . 8 1 1 A 127 127 LEU N N 136 125.760 126.810 -1.050 1
1 1396 . 8 1 1 A 128 128 GLN H H 137 9.256 8.334 0.922 1
1 1397 . 8 1 1 A 128 128 GLN HA H 137 5.128 5.740 -0.612 1
1 1404 . 8 1 1 A 128 128 GLN CA C 137 54.063 54.534 -0.471 1
1 1405 . 8 1 1 A 128 128 GLN CB C 137 34.063 32.392 1.671 1
1 1407 . 8 1 1 A 128 128 GLN N N 137 125.526 125.872 -0.346 1
1 1409 . 8 1 1 A 129 129 SER H H 138 8.222 8.622 -0.400 1
1 1410 . 8 1 1 A 129 129 SER HA H 138 4.476 4.377 0.099 1
1 1413 . 8 1 1 A 129 129 SER CA C 138 60.814 58.775 2.039 1
1 1414 . 8 1 1 A 129 129 SER CB C 138 63.116 63.432 -0.316 1
1 1415 . 8 1 1 A 129 129 SER N N 138 125.620 119.812 5.808 1
1 1416 . 8 1 1 A 130 130 ARG H H 139 8.032 8.253 -0.221 1
1 1417 . 8 1 1 A 130 130 ARG HA H 139 4.601 4.472 0.129 1
1 1424 . 8 1 1 A 130 130 ARG CA C 139 53.934 55.869 -1.935 1
1 1425 . 8 1 1 A 130 130 ARG CB C 139 32.334 31.450 0.884 1
1 1428 . 8 1 1 A 130 130 ARG N N 139 123.136 126.384 -3.248 1
1 6 . 9 1 1 A 2 2 PRO HA H 11 4.498 4.553 -0.055 1
1 11 . 9 1 1 A 2 2 PRO CA C 11 63.103 62.919 0.184 1
1 12 . 9 1 1 A 2 2 PRO CB C 11 32.993 32.525 0.468 1
1 15 . 9 1 1 A 3 3 VAL H H 12 8.356 8.270 0.086 1
1 16 . 9 1 1 A 3 3 VAL HA H 12 4.370 4.626 -0.256 1
1 24 . 9 1 1 A 3 3 VAL CA C 12 60.982 60.080 0.902 1
1 25 . 9 1 1 A 3 3 VAL CB C 12 34.005 34.155 -0.150 1
1 28 . 9 1 1 A 3 3 VAL N N 12 119.528 120.320 -0.792 1
1 29 . 9 1 1 A 4 4 LYS H H 13 8.542 8.999 -0.457 1
1 30 . 9 1 1 A 4 4 LYS HA H 13 4.752 4.739 0.013 1
1 38 . 9 1 1 A 4 4 LYS CA C 13 55.339 55.390 -0.051 1
1 39 . 9 1 1 A 4 4 LYS CB C 13 33.640 33.678 -0.038 1
1 43 . 9 1 1 A 4 4 LYS N N 13 125.901 129.638 -3.737 1
1 44 . 9 1 1 A 5 5 LEU H H 14 8.887 8.808 0.079 1
1 45 . 9 1 1 A 5 5 LEU HA H 14 4.927 5.229 -0.302 1
1 51 . 9 1 1 A 5 5 LEU CA C 14 52.944 53.358 -0.414 1
1 52 . 9 1 1 A 5 5 LEU CB C 14 47.069 45.964 1.105 1
1 54 . 9 1 1 A 5 5 LEU N N 14 126.276 129.058 -2.782 1
1 55 . 9 1 1 A 6 6 ARG H H 15 9.361 8.737 0.624 1
1 56 . 9 1 1 A 6 6 ARG HA H 15 5.205 5.580 -0.375 1
1 61 . 9 1 1 A 6 6 ARG CA C 15 55.064 54.846 0.218 1
1 62 . 9 1 1 A 6 6 ARG CB C 15 31.979 32.632 -0.653 1
1 64 . 9 1 1 A 6 6 ARG N N 15 123.745 126.059 -2.314 1
1 65 . 9 1 1 A 7 7 LEU H H 16 9.694 8.731 0.963 1
1 66 . 9 1 1 A 7 7 LEU HA H 16 5.437 5.075 0.362 1
1 73 . 9 1 1 A 7 7 LEU CA C 16 53.777 53.547 0.230 1
1 74 . 9 1 1 A 7 7 LEU CB C 16 45.577 44.296 1.281 1
1 77 . 9 1 1 A 7 7 LEU N N 16 111.467 126.326 -14.859 1
1 78 . 9 1 1 A 8 8 THR H H 17 9.470 9.398 0.072 1
1 79 . 9 1 1 A 8 8 THR HA H 17 4.904 5.036 -0.132 1
1 84 . 9 1 1 A 8 8 THR CA C 17 62.827 62.212 0.615 1
1 85 . 9 1 1 A 8 8 THR CB C 17 69.540 69.533 0.007 1
1 87 . 9 1 1 A 8 8 THR N N 17 124.589 124.094 0.495 1
1 88 . 9 1 1 A 9 9 VAL H H 18 9.339 9.358 -0.019 1
1 89 . 9 1 1 A 9 9 VAL HA H 18 4.374 4.220 0.154 1
1 97 . 9 1 1 A 9 9 VAL CA C 18 61.708 63.131 -1.423 1
1 98 . 9 1 1 A 9 9 VAL CB C 18 31.021 30.709 0.312 1
1 101 . 9 1 1 A 9 9 VAL N N 18 127.963 128.070 -0.107 1
1 102 . 9 1 1 A 10 10 LEU H H 19 8.957 8.364 0.593 1
1 103 . 9 1 1 A 10 10 LEU HA H 19 4.334 4.277 0.057 1
1 113 . 9 1 1 A 10 10 LEU CA C 19 59.232 57.786 1.446 1
1 114 . 9 1 1 A 10 10 LEU CB C 19 43.525 42.698 0.827 1
1 118 . 9 1 1 A 10 10 LEU N N 19 127.775 129.525 -1.750 1
1 119 . 9 1 1 A 11 11 CYS H H 20 8.038 7.632 0.406 1
1 120 . 9 1 1 A 11 11 CYS HA H 20 5.152 4.599 0.553 1
1 123 . 9 1 1 A 11 11 CYS CA C 20 55.928 57.271 -1.343 1
1 124 . 9 1 1 A 11 11 CYS CB C 20 30.655 30.168 0.487 1
1 125 . 9 1 1 A 11 11 CYS N N 20 109.968 112.750 -2.782 1
1 126 . 9 1 1 A 12 12 ALA H H 21 8.485 8.514 -0.029 1
1 127 . 9 1 1 A 12 12 ALA HA H 21 5.397 5.380 0.017 1
1 131 . 9 1 1 A 12 12 ALA CA C 21 50.707 50.313 0.394 1
1 132 . 9 1 1 A 12 12 ALA CB C 21 22.550 23.066 -0.516 1
1 133 . 9 1 1 A 12 12 ALA N N 21 119.247 123.893 -4.646 1
1 134 . 9 1 1 A 13 13 LYS H H 22 8.905 8.827 0.078 1
1 135 . 9 1 1 A 13 13 LYS HA H 22 5.144 4.698 0.446 1
1 141 . 9 1 1 A 13 13 LYS CA C 22 54.063 54.614 -0.551 1
1 142 . 9 1 1 A 13 13 LYS CB C 22 37.217 35.395 1.822 1
1 146 . 9 1 1 A 13 13 LYS N N 22 117.934 120.327 -2.393 1
1 147 . 9 1 1 A 14 14 ASN H H 23 9.099 9.051 0.048 1
1 148 . 9 1 1 A 14 14 ASN HA H 23 4.187 4.301 -0.114 1
1 153 . 9 1 1 A 14 14 ASN CA C 23 53.735 53.845 -0.110 1
1 154 . 9 1 1 A 14 14 ASN CB C 23 37.736 36.902 0.834 1
1 155 . 9 1 1 A 14 14 ASN N N 23 118.684 120.359 -1.675 1
1 157 . 9 1 1 A 15 15 LEU H H 24 8.294 8.016 0.278 1
1 158 . 9 1 1 A 15 15 LEU HA H 24 5.161 4.231 0.930 1
1 165 . 9 1 1 A 15 15 LEU CA C 24 55.261 54.929 0.332 1
1 166 . 9 1 1 A 15 15 LEU CB C 24 42.966 41.799 1.167 1
1 169 . 9 1 1 A 15 15 LEU N N 24 114.373 119.955 -5.582 1
1 170 . 9 1 1 A 16 16 VAL H H 25 8.533 8.512 0.021 1
1 171 . 9 1 1 A 16 16 VAL HA H 25 3.635 4.031 -0.396 1
1 179 . 9 1 1 A 16 16 VAL CA C 25 62.318 63.274 -0.956 1
1 180 . 9 1 1 A 16 16 VAL CB C 25 33.064 32.152 0.912 1
1 183 . 9 1 1 A 16 16 VAL N N 25 119.200 125.288 -6.088 1
1 184 . 9 1 1 A 17 17 LYS H H 26 7.950 8.370 -0.420 1
1 185 . 9 1 1 A 17 17 LYS HA H 26 4.302 4.152 0.150 1
1 192 . 9 1 1 A 17 17 LYS CA C 26 54.150 57.496 -3.346 1
1 193 . 9 1 1 A 17 17 LYS CB C 26 33.826 31.840 1.986 1
1 197 . 9 1 1 A 17 17 LYS N N 26 128.056 126.189 1.867 1
1 198 . 9 1 1 A 18 18 LYS H H 27 8.549 7.967 0.582 1
1 199 . 9 1 1 A 18 18 LYS HA H 27 4.078 3.954 0.124 1
1 207 . 9 1 1 A 18 18 LYS CA C 27 58.626 58.539 0.087 1
1 208 . 9 1 1 A 18 18 LYS CB C 27 33.826 31.123 2.703 1
1 211 . 9 1 1 A 18 18 LYS N N 27 125.760 114.251 11.509 1
1 212 . 9 1 1 A 19 19 ASP H H 28 8.438 8.696 -0.258 1
1 213 . 9 1 1 A 19 19 ASP HA H 28 4.801 4.938 -0.137 1
1 216 . 9 1 1 A 19 19 ASP CA C 28 52.964 54.179 -1.215 1
1 217 . 9 1 1 A 19 19 ASP CB C 28 43.518 41.538 1.980 1
1 218 . 9 1 1 A 19 19 ASP N N 28 119.247 122.049 -2.802 1
1 219 . 9 1 1 A 20 20 PHE H H 29 8.506 9.103 -0.597 1
1 220 . 9 1 1 A 20 20 PHE HA H 29 4.049 3.913 0.136 1
1 227 . 9 1 1 A 20 20 PHE CA C 29 60.767 62.047 -1.280 1
1 228 . 9 1 1 A 20 20 PHE CB C 29 39.305 39.573 -0.268 1
1 231 . 9 1 1 A 20 20 PHE N N 29 122.011 125.014 -3.003 1
1 232 . 9 1 1 A 21 21 PHE H H 30 8.350 8.061 0.289 1
1 233 . 9 1 1 A 21 21 PHE HA H 30 4.677 4.249 0.428 1
1 240 . 9 1 1 A 21 21 PHE CA C 30 57.789 61.755 -3.966 1
1 241 . 9 1 1 A 21 21 PHE CB C 30 40.824 38.512 2.312 1
1 244 . 9 1 1 A 21 21 PHE N N 30 113.764 116.724 -2.960 1
1 245 . 9 1 1 A 22 22 ARG H H 31 7.631 7.962 -0.331 1
1 246 . 9 1 1 A 22 22 ARG HA H 31 4.614 4.853 -0.239 1
1 252 . 9 1 1 A 22 22 ARG CA C 31 55.325 54.298 1.027 1
1 253 . 9 1 1 A 22 22 ARG CB C 31 33.640 32.962 0.678 1
1 256 . 9 1 1 A 22 22 ARG N N 31 118.778 117.924 0.854 1
1 257 . 9 1 1 A 23 23 LEU H H 32 8.699 8.610 0.089 1
1 258 . 9 1 1 A 23 23 LEU HA H 32 4.509 4.954 -0.445 1
1 268 . 9 1 1 A 23 23 LEU CA C 32 52.758 51.744 1.014 1
1 269 . 9 1 1 A 23 23 LEU CB C 32 42.593 44.622 -2.029 1
1 273 . 9 1 1 A 23 23 LEU N N 32 123.464 121.717 1.747 1
1 274 . 9 1 1 A 24 24 PRO HA H 33 4.648 5.288 -0.640 1
1 281 . 9 1 1 A 24 24 PRO CA C 33 62.753 62.104 0.649 1
1 282 . 9 1 1 A 24 24 PRO CB C 33 33.965 32.856 1.109 1
1 285 . 9 1 1 A 25 25 ASP H H 34 7.463 8.673 -1.210 1
1 286 . 9 1 1 A 25 25 ASP HA H 34 6.052 5.772 0.280 1
1 289 . 9 1 1 A 25 25 ASP CA C 34 51.080 51.817 -0.737 1
1 290 . 9 1 1 A 25 25 ASP CB C 34 42.779 41.775 1.004 1
1 291 . 9 1 1 A 25 25 ASP N N 34 117.091 121.545 -4.454 1
1 292 . 9 1 1 A 26 26 PRO HA H 35 5.968 5.125 0.843 1
1 299 . 9 1 1 A 26 26 PRO CA C 35 62.827 62.885 -0.058 1
1 300 . 9 1 1 A 26 26 PRO CB C 35 35.132 32.881 2.251 1
1 303 . 9 1 1 A 27 27 PHE H H 36 9.284 8.791 0.493 1
1 304 . 9 1 1 A 27 27 PHE HA H 36 5.009 5.330 -0.321 1
1 312 . 9 1 1 A 27 27 PHE CA C 36 56.301 56.030 0.271 1
1 313 . 9 1 1 A 27 27 PHE CB C 36 42.689 41.519 1.170 1
1 317 . 9 1 1 A 27 27 PHE N N 36 120.090 118.712 1.378 1
1 318 . 9 1 1 A 28 28 ALA H H 37 8.408 8.542 -0.134 1
1 319 . 9 1 1 A 28 28 ALA HA H 37 5.481 5.083 0.398 1
1 323 . 9 1 1 A 28 28 ALA CA C 37 49.186 50.056 -0.870 1
1 324 . 9 1 1 A 28 28 ALA CB C 37 20.389 23.002 -2.613 1
1 325 . 9 1 1 A 28 28 ALA N N 37 122.433 121.098 1.335 1
1 326 . 9 1 1 A 29 29 LYS H H 38 9.617 8.807 0.810 1
1 327 . 9 1 1 A 29 29 LYS HA H 38 5.267 5.479 -0.212 1
1 335 . 9 1 1 A 29 29 LYS CA C 38 54.901 54.956 -0.055 1
1 336 . 9 1 1 A 29 29 LYS CB C 38 36.624 35.672 0.952 1
1 340 . 9 1 1 A 29 29 LYS N N 38 121.964 119.309 2.655 1
1 341 . 9 1 1 A 30 30 VAL H H 39 9.159 9.096 0.063 1
1 342 . 9 1 1 A 30 30 VAL HA H 39 4.494 4.623 -0.129 1
1 350 . 9 1 1 A 30 30 VAL CA C 39 61.335 61.835 -0.500 1
1 351 . 9 1 1 A 30 30 VAL CB C 39 34.954 32.746 2.208 1
1 354 . 9 1 1 A 30 30 VAL N N 39 124.497 125.115 -0.618 1
1 355 . 9 1 1 A 31 31 VAL H H 40 8.659 8.662 -0.003 1
1 356 . 9 1 1 A 31 31 VAL HA H 40 5.091 4.832 0.259 1
1 364 . 9 1 1 A 31 31 VAL CA C 40 59.898 59.495 0.403 1
1 365 . 9 1 1 A 31 31 VAL CB C 40 36.959 35.632 1.327 1
1 368 . 9 1 1 A 31 31 VAL N N 40 124.589 120.927 3.662 1
1 369 . 9 1 1 A 32 32 VAL H H 41 7.786 8.370 -0.584 1
1 370 . 9 1 1 A 32 32 VAL HA H 41 4.660 4.603 0.057 1
1 378 . 9 1 1 A 32 32 VAL CA C 41 62.268 61.131 1.137 1
1 379 . 9 1 1 A 32 32 VAL CB C 41 30.995 32.586 -1.591 1
1 382 . 9 1 1 A 32 32 VAL N N 41 125.385 125.133 0.252 1
1 383 . 9 1 1 A 33 33 ASP H H 42 8.568 8.485 0.083 1
1 384 . 9 1 1 A 33 33 ASP HA H 42 4.310 4.557 -0.247 1
1 386 . 9 1 1 A 33 33 ASP CA C 42 57.321 54.257 3.064 1
1 387 . 9 1 1 A 33 33 ASP CB C 42 40.727 39.990 0.737 1
1 388 . 9 1 1 A 33 33 ASP N N 42 130.868 128.397 2.471 1
1 389 . 9 1 1 A 34 34 GLY HA2 H 43 4.230 4.071 0.159 1
1 390 . 9 1 1 A 34 34 GLY HA3 H 43 3.818 4.077 -0.259 1
1 391 . 9 1 1 A 34 34 GLY CA C 43 46.510 45.086 1.424 1
1 392 . 9 1 1 A 35 35 SER H H 44 8.049 7.832 0.217 1
1 393 . 9 1 1 A 35 35 SER HA H 44 4.928 4.811 0.117 1
1 396 . 9 1 1 A 35 35 SER CA C 44 58.067 57.075 0.992 1
1 397 . 9 1 1 A 35 35 SER CB C 44 67.393 64.832 2.561 1
1 398 . 9 1 1 A 35 35 SER N N 44 115.029 114.984 0.045 1
1 399 . 9 1 1 A 36 36 GLY H H 45 8.637 8.849 -0.212 1
1 400 . 9 1 1 A 36 36 GLY HA2 H 45 4.338 3.876 0.462 1
1 401 . 9 1 1 A 36 36 GLY HA3 H 45 3.884 3.877 0.007 1
1 402 . 9 1 1 A 36 36 GLY CA C 45 46.137 47.026 -0.889 1
1 403 . 9 1 1 A 36 36 GLY N N 45 109.265 111.940 -2.675 1
1 404 . 9 1 1 A 37 37 GLN H H 46 8.329 7.797 0.532 1
1 405 . 9 1 1 A 37 37 GLN HA H 46 4.339 4.791 -0.452 1
1 412 . 9 1 1 A 37 37 GLN CA C 46 56.002 54.449 1.553 1
1 413 . 9 1 1 A 37 37 GLN CB C 46 30.241 30.630 -0.389 1
1 415 . 9 1 1 A 37 37 GLN N N 46 120.699 118.083 2.616 1
1 417 . 9 1 1 A 38 38 CYS H H 47 7.787 8.953 -1.166 1
1 418 . 9 1 1 A 38 38 CYS HA H 47 5.257 5.932 -0.675 1
1 420 . 9 1 1 A 38 38 CYS CA C 47 56.761 56.688 0.073 1
1 421 . 9 1 1 A 38 38 CYS CB C 47 29.250 30.947 -1.697 1
1 422 . 9 1 1 A 38 38 CYS N N 47 124.214 122.416 1.798 1
1 423 . 9 1 1 A 39 39 HIS H H 48 8.906 8.531 0.375 1
1 424 . 9 1 1 A 39 39 HIS HA H 48 4.730 5.010 -0.280 1
1 428 . 9 1 1 A 39 39 HIS CA C 48 54.888 54.226 0.662 1
1 429 . 9 1 1 A 39 39 HIS CB C 48 34.688 34.544 0.144 1
1 431 . 9 1 1 A 39 39 HIS N N 48 125.807 119.564 6.243 1
1 432 . 9 1 1 A 40 40 SER H H 49 8.728 8.712 0.016 1
1 433 . 9 1 1 A 40 40 SER HA H 49 5.732 5.422 0.310 1
1 436 . 9 1 1 A 40 40 SER CA C 49 57.041 57.270 -0.229 1
1 437 . 9 1 1 A 40 40 SER CB C 49 66.274 66.494 -0.220 1
1 438 . 9 1 1 A 40 40 SER N N 49 116.034 114.327 1.707 1
1 439 . 9 1 1 A 41 41 THR H H 50 9.212 8.859 0.353 1
1 440 . 9 1 1 A 41 41 THR HA H 50 4.477 5.059 -0.582 1
1 445 . 9 1 1 A 41 41 THR CA C 50 61.457 59.641 1.816 1
1 446 . 9 1 1 A 41 41 THR CB C 50 72.337 70.795 1.542 1
1 448 . 9 1 1 A 41 41 THR N N 50 115.404 112.969 2.435 1
1 449 . 9 1 1 A 42 42 ASP H H 51 9.424 8.615 0.809 1
1 450 . 9 1 1 A 42 42 ASP HA H 51 4.676 4.595 0.081 1
1 453 . 9 1 1 A 42 42 ASP CA C 51 54.996 54.476 0.520 1
1 454 . 9 1 1 A 42 42 ASP CB C 51 41.543 41.248 0.295 1
1 455 . 9 1 1 A 42 42 ASP N N 51 119.340 122.270 -2.930 1
1 456 . 9 1 1 A 43 43 THR H H 52 8.650 8.584 0.066 1
1 457 . 9 1 1 A 43 43 THR HA H 52 4.858 5.079 -0.221 1
1 462 . 9 1 1 A 43 43 THR CA C 52 62.637 62.296 0.341 1
1 463 . 9 1 1 A 43 43 THR CB C 52 70.191 70.165 0.026 1
1 465 . 9 1 1 A 43 43 THR N N 52 117.836 118.090 -0.254 1
1 466 . 9 1 1 A 44 44 VAL H H 53 8.266 9.446 -1.180 1
1 467 . 9 1 1 A 44 44 VAL HA H 53 4.363 4.515 -0.152 1
1 475 . 9 1 1 A 44 44 VAL CA C 53 61.086 61.112 -0.026 1
1 476 . 9 1 1 A 44 44 VAL CB C 53 33.361 33.858 -0.497 1
1 479 . 9 1 1 A 44 44 VAL N N 53 127.775 126.294 1.481 1
1 480 . 9 1 1 A 45 45 LYS H H 54 8.163 8.603 -0.440 1
1 481 . 9 1 1 A 45 45 LYS HA H 54 4.229 4.500 -0.271 1
1 487 . 9 1 1 A 45 45 LYS CA C 54 56.627 55.047 1.580 1
1 488 . 9 1 1 A 45 45 LYS CB C 54 33.739 33.468 0.271 1
1 492 . 9 1 1 A 45 45 LYS N N 54 120.934 125.969 -5.035 1
1 493 . 9 1 1 A 46 46 ASN H H 55 9.642 8.443 1.199 1
1 494 . 9 1 1 A 46 46 ASN HA H 55 4.150 4.603 -0.453 1
1 499 . 9 1 1 A 46 46 ASN CA C 55 54.029 53.819 0.210 1
1 500 . 9 1 1 A 46 46 ASN CB C 55 38.668 36.231 2.437 1
1 501 . 9 1 1 A 46 46 ASN N N 55 121.215 121.823 -0.608 1
1 503 . 9 1 1 A 47 47 THR H H 56 8.246 7.897 0.349 1
1 504 . 9 1 1 A 47 47 THR HA H 56 4.661 4.805 -0.144 1
1 509 . 9 1 1 A 47 47 THR CA C 56 60.963 60.365 0.598 1
1 510 . 9 1 1 A 47 47 THR CB C 56 68.512 69.983 -1.471 1
1 512 . 9 1 1 A 47 47 THR N N 56 111.936 117.557 -5.621 1
1 513 . 9 1 1 A 48 48 LEU H H 57 8.245 8.457 -0.212 1
1 514 . 9 1 1 A 48 48 LEU HA H 57 4.410 4.577 -0.167 1
1 524 . 9 1 1 A 48 48 LEU CA C 57 53.641 53.697 -0.056 1
1 525 . 9 1 1 A 48 48 LEU CB C 57 41.570 41.672 -0.102 1
1 529 . 9 1 1 A 48 48 LEU N N 57 122.433 124.445 -2.012 1
1 530 . 9 1 1 A 49 49 ASP H H 58 8.544 7.884 0.660 1
1 531 . 9 1 1 A 49 49 ASP HA H 58 5.419 5.137 0.282 1
1 534 . 9 1 1 A 49 49 ASP CA C 58 51.826 51.775 0.051 1
1 535 . 9 1 1 A 49 49 ASP CB C 58 44.085 40.514 3.571 1
1 536 . 9 1 1 A 49 49 ASP N N 58 116.903 117.376 -0.473 1
1 537 . 9 1 1 A 50 50 PRO HA H 59 3.790 4.468 -0.678 1
1 543 . 9 1 1 A 50 50 PRO CA C 59 63.219 62.049 1.170 1
1 544 . 9 1 1 A 50 50 PRO CB C 59 32.661 32.858 -0.197 1
1 547 . 9 1 1 A 51 51 LYS H H 60 7.806 7.940 -0.134 1
1 548 . 9 1 1 A 51 51 LYS HA H 60 4.224 4.683 -0.459 1
1 555 . 9 1 1 A 51 51 LYS CA C 60 55.521 54.839 0.682 1
1 556 . 9 1 1 A 51 51 LYS CB C 60 33.826 35.785 -1.959 1
1 560 . 9 1 1 A 51 51 LYS N N 60 119.996 116.761 3.235 1
1 561 . 9 1 1 A 52 52 TRP H H 61 7.791 8.323 -0.532 1
1 562 . 9 1 1 A 52 52 TRP HA H 61 4.824 4.895 -0.071 1
1 570 . 9 1 1 A 52 52 TRP CA C 61 60.590 57.856 2.734 1
1 571 . 9 1 1 A 52 52 TRP CB C 61 29.715 31.447 -1.732 1
1 576 . 9 1 1 A 52 52 TRP N N 61 122.386 120.012 2.374 1
1 578 . 9 1 1 A 53 53 ASN H H 62 9.040 8.216 0.824 1
1 579 . 9 1 1 A 53 53 ASN HA H 62 4.419 4.404 0.015 1
1 584 . 9 1 1 A 53 53 ASN CA C 62 53.789 54.199 -0.410 1
1 585 . 9 1 1 A 53 53 ASN CB C 62 37.922 37.495 0.427 1
1 586 . 9 1 1 A 53 53 ASN N N 62 117.185 118.751 -1.566 1
1 588 . 9 1 1 A 54 54 GLN H H 63 7.512 7.377 0.135 1
1 589 . 9 1 1 A 54 54 GLN HA H 63 4.584 4.672 -0.088 1
1 596 . 9 1 1 A 54 54 GLN CA C 63 55.008 54.426 0.582 1
1 597 . 9 1 1 A 54 54 GLN CB C 63 34.938 31.029 3.909 1
1 599 . 9 1 1 A 54 54 GLN N N 63 116.341 117.711 -1.370 1
1 601 . 9 1 1 A 55 55 HIS H H 64 7.782 7.969 -0.187 1
1 602 . 9 1 1 A 55 55 HIS HA H 64 5.796 6.088 -0.292 1
1 606 . 9 1 1 A 55 55 HIS CA C 64 53.059 53.266 -0.207 1
1 607 . 9 1 1 A 55 55 HIS CB C 64 34.378 33.041 1.337 1
1 609 . 9 1 1 A 55 55 HIS N N 64 118.403 117.902 0.501 1
1 610 . 9 1 1 A 56 56 TYR H H 65 8.657 8.918 -0.261 1
1 611 . 9 1 1 A 56 56 TYR HA H 65 4.404 4.829 -0.425 1
1 618 . 9 1 1 A 56 56 TYR CA C 65 57.430 56.347 1.083 1
1 619 . 9 1 1 A 56 56 TYR CB C 65 42.958 41.709 1.249 1
1 622 . 9 1 1 A 56 56 TYR N N 65 116.435 119.897 -3.462 1
1 623 . 9 1 1 A 57 57 ASP H H 66 8.772 8.851 -0.079 1
1 624 . 9 1 1 A 57 57 ASP HA H 66 5.283 5.061 0.222 1
1 627 . 9 1 1 A 57 57 ASP CA C 66 54.250 54.031 0.219 1
1 628 . 9 1 1 A 57 57 ASP CB C 66 40.914 41.992 -1.078 1
1 629 . 9 1 1 A 57 57 ASP N N 66 124.776 122.883 1.893 1
1 630 . 9 1 1 A 58 58 LEU H H 67 9.175 8.723 0.452 1
1 631 . 9 1 1 A 58 58 LEU HA H 67 4.589 4.801 -0.212 1
1 641 . 9 1 1 A 58 58 LEU CA C 67 53.131 53.682 -0.551 1
1 642 . 9 1 1 A 58 58 LEU CB C 67 45.060 45.397 -0.337 1
1 645 . 9 1 1 A 58 58 LEU N N 67 124.558 124.641 -0.083 1
1 646 . 9 1 1 A 59 59 TYR H H 68 8.877 8.683 0.194 1
1 647 . 9 1 1 A 59 59 TYR HA H 68 5.096 5.368 -0.272 1
1 654 . 9 1 1 A 59 59 TYR CA C 68 57.606 58.292 -0.686 1
1 655 . 9 1 1 A 59 59 TYR CB C 68 39.422 39.661 -0.239 1
1 658 . 9 1 1 A 59 59 TYR N N 68 121.215 122.866 -1.651 1
1 659 . 9 1 1 A 60 60 ILE H H 69 9.162 8.633 0.529 1
1 660 . 9 1 1 A 60 60 ILE HA H 69 4.551 4.612 -0.061 1
1 670 . 9 1 1 A 60 60 ILE CA C 69 59.471 59.985 -0.514 1
1 671 . 9 1 1 A 60 60 ILE CB C 69 40.500 40.027 0.473 1
1 675 . 9 1 1 A 60 60 ILE N N 69 124.823 122.849 1.974 1
1 676 . 9 1 1 A 61 61 GLY H H 70 9.960 8.813 1.147 1
1 677 . 9 1 1 A 61 61 GLY HA2 H 70 4.517 4.128 0.389 1
1 678 . 9 1 1 A 61 61 GLY HA3 H 70 3.881 4.129 -0.248 1
1 679 . 9 1 1 A 61 61 GLY CA C 70 44.083 44.461 -0.378 1
1 680 . 9 1 1 A 61 61 GLY N N 70 117.841 115.009 2.832 1
1 681 . 9 1 1 A 62 62 LYS H H 71 8.605 8.808 -0.203 1
1 682 . 9 1 1 A 62 62 LYS HA H 71 4.090 3.921 0.169 1
1 687 . 9 1 1 A 62 62 LYS CA C 71 59.447 59.114 0.333 1
1 688 . 9 1 1 A 62 62 LYS CB C 71 33.453 32.071 1.382 1
1 692 . 9 1 1 A 62 62 LYS N N 71 119.434 119.952 -0.518 1
1 693 . 9 1 1 A 63 63 SER H H 72 8.544 7.952 0.592 1
1 694 . 9 1 1 A 63 63 SER HA H 72 4.811 4.727 0.084 1
1 696 . 9 1 1 A 63 63 SER CA C 72 57.606 56.804 0.802 1
1 697 . 9 1 1 A 63 63 SER CB C 72 64.013 63.091 0.922 1
1 698 . 9 1 1 A 63 63 SER N N 72 111.842 113.821 -1.979 1
1 699 . 9 1 1 A 64 64 ASP H H 73 7.247 9.140 -1.893 1
1 700 . 9 1 1 A 64 64 ASP HA H 73 4.867 5.583 -0.716 1
1 702 . 9 1 1 A 64 64 ASP CA C 73 55.500 52.763 2.737 1
1 703 . 9 1 1 A 64 64 ASP CB C 73 43.331 44.798 -1.467 1
1 704 . 9 1 1 A 64 64 ASP N N 73 121.964 127.120 -5.156 1
1 705 . 9 1 1 A 65 65 SER H H 74 8.742 8.806 -0.064 1
1 706 . 9 1 1 A 65 65 SER HA H 74 5.074 5.259 -0.185 1
1 708 . 9 1 1 A 65 65 SER CA C 74 56.301 56.990 -0.689 1
1 709 . 9 1 1 A 65 65 SER CB C 74 67.579 66.543 1.036 1
1 710 . 9 1 1 A 65 65 SER N N 74 111.936 115.328 -3.392 1
1 711 . 9 1 1 A 66 66 VAL H H 75 8.622 8.458 0.164 1
1 712 . 9 1 1 A 66 66 VAL HA H 75 5.095 4.932 0.163 1
1 720 . 9 1 1 A 66 66 VAL CA C 75 60.217 60.699 -0.482 1
1 721 . 9 1 1 A 66 66 VAL CB C 75 36.617 34.573 2.044 1
1 724 . 9 1 1 A 66 66 VAL N N 75 119.422 121.830 -2.408 1
1 725 . 9 1 1 A 67 67 THR H H 76 9.152 8.908 0.244 1
1 726 . 9 1 1 A 67 67 THR HA H 76 5.199 4.971 0.228 1
1 731 . 9 1 1 A 67 67 THR CA C 76 63.014 61.887 1.127 1
1 732 . 9 1 1 A 67 67 THR CB C 76 69.703 71.150 -1.447 1
1 734 . 9 1 1 A 67 67 THR N N 76 123.839 123.218 0.621 1
1 735 . 9 1 1 A 68 68 ILE H H 77 9.106 8.937 0.169 1
1 736 . 9 1 1 A 68 68 ILE HA H 77 5.389 4.699 0.690 1
1 746 . 9 1 1 A 68 68 ILE CA C 77 59.844 60.520 -0.676 1
1 747 . 9 1 1 A 68 68 ILE CB C 77 40.347 38.581 1.766 1
1 751 . 9 1 1 A 68 68 ILE N N 77 129.275 129.514 -0.239 1
1 752 . 9 1 1 A 69 69 SER H H 78 9.645 9.125 0.520 1
1 753 . 9 1 1 A 69 69 SER HA H 78 5.265 5.435 -0.170 1
1 756 . 9 1 1 A 69 69 SER CA C 78 56.114 55.582 0.532 1
1 757 . 9 1 1 A 69 69 SER CB C 78 66.087 66.483 -0.396 1
1 758 . 9 1 1 A 69 69 SER N N 78 120.559 120.764 -0.205 1
1 759 . 9 1 1 A 70 70 VAL H H 79 8.482 8.186 0.296 1
1 760 . 9 1 1 A 70 70 VAL HA H 79 4.676 4.762 -0.086 1
1 768 . 9 1 1 A 70 70 VAL CA C 79 60.852 60.769 0.083 1
1 769 . 9 1 1 A 70 70 VAL CB C 79 32.992 34.732 -1.740 1
1 772 . 9 1 1 A 70 70 VAL N N 79 121.777 120.319 1.458 1
1 773 . 9 1 1 A 71 71 TRP H H 80 8.627 8.285 0.342 1
1 774 . 9 1 1 A 71 71 TRP HA H 80 4.930 5.050 -0.120 1
1 783 . 9 1 1 A 71 71 TRP CA C 80 55.182 55.042 0.140 1
1 784 . 9 1 1 A 71 71 TRP CB C 80 34.058 33.214 0.844 1
1 790 . 9 1 1 A 71 71 TRP N N 80 124.474 126.218 -1.744 1
1 792 . 9 1 1 A 72 72 ASN H H 81 9.891 9.024 0.867 1
1 793 . 9 1 1 A 72 72 ASN HA H 81 4.789 4.974 -0.185 1
1 798 . 9 1 1 A 72 72 ASN CA C 81 51.049 51.672 -0.623 1
1 799 . 9 1 1 A 72 72 ASN CB C 81 39.091 38.346 0.745 1
1 800 . 9 1 1 A 72 72 ASN N N 81 116.435 121.921 -5.486 1
1 802 . 9 1 1 A 73 73 HIS H H 82 9.967 9.173 0.794 1
1 803 . 9 1 1 A 73 73 HIS HA H 82 4.499 4.376 0.123 1
1 806 . 9 1 1 A 73 73 HIS CA C 82 60.788 60.632 0.156 1
1 807 . 9 1 1 A 73 73 HIS CB C 82 32.327 30.708 1.619 1
1 808 . 9 1 1 A 73 73 HIS N N 82 127.963 126.212 1.751 1
1 809 . 9 1 1 A 74 74 LYS H H 83 7.764 8.216 -0.452 1
1 810 . 9 1 1 A 74 74 LYS HA H 83 4.297 4.012 0.285 1
1 817 . 9 1 1 A 74 74 LYS CA C 83 59.232 59.963 -0.731 1
1 818 . 9 1 1 A 74 74 LYS CB C 83 33.640 32.349 1.291 1
1 822 . 9 1 1 A 74 74 LYS N N 83 112.592 118.784 -6.192 1
1 823 . 9 1 1 A 75 75 LYS H H 84 7.626 7.792 -0.166 1
1 824 . 9 1 1 A 75 75 LYS HA H 84 4.607 4.191 0.416 1
1 832 . 9 1 1 A 75 75 LYS CA C 84 55.828 58.746 -2.918 1
1 833 . 9 1 1 A 75 75 LYS CB C 84 36.064 32.037 4.027 1
1 837 . 9 1 1 A 75 75 LYS N N 84 114.560 118.968 -4.408 1
1 838 . 9 1 1 A 76 76 ILE H H 85 7.021 8.027 -1.006 1
1 839 . 9 1 1 A 76 76 ILE HA H 85 4.132 4.216 -0.084 1
1 849 . 9 1 1 A 76 76 ILE CA C 85 64.013 64.487 -0.474 1
1 850 . 9 1 1 A 76 76 ILE CB C 85 39.146 37.564 1.582 1
1 854 . 9 1 1 A 76 76 ILE N N 85 113.811 116.584 -2.773 1
1 855 . 9 1 1 A 77 77 HIS H H 86 8.335 7.629 0.706 1
1 856 . 9 1 1 A 77 77 HIS HA H 86 4.612 4.180 0.432 1
1 859 . 9 1 1 A 77 77 HIS CA C 86 56.815 58.598 -1.783 1
1 860 . 9 1 1 A 77 77 HIS CB C 86 30.461 30.491 -0.030 1
1 862 . 9 1 1 A 77 77 HIS N N 86 117.841 122.877 -5.036 1
1 863 . 9 1 1 A 78 78 LYS H H 87 7.587 7.459 0.128 1
1 864 . 9 1 1 A 78 78 LYS HA H 87 4.094 3.864 0.230 1
1 870 . 9 1 1 A 78 78 LYS CA C 87 57.628 59.717 -2.089 1
1 871 . 9 1 1 A 78 78 LYS CB C 87 32.893 32.596 0.297 1
1 875 . 9 1 1 A 78 78 LYS N N 87 120.652 118.686 1.966 1
1 876 . 9 1 1 A 79 79 LYS H H 88 7.585 7.147 0.438 1
1 877 . 9 1 1 A 79 79 LYS HA H 88 4.304 4.576 -0.272 1
1 883 . 9 1 1 A 79 79 LYS CA C 88 56.467 55.500 0.967 1
1 884 . 9 1 1 A 79 79 LYS CB C 88 34.013 34.977 -0.964 1
1 888 . 9 1 1 A 79 79 LYS N N 88 115.872 117.839 -1.967 1
1 889 . 9 1 1 A 80 80 GLN H H 89 8.625 8.455 0.170 1
1 890 . 9 1 1 A 80 80 GLN HA H 89 4.192 3.965 0.227 1
1 893 . 9 1 1 A 80 80 GLN CA C 89 57.590 57.632 -0.042 1
1 894 . 9 1 1 A 80 80 GLN CB C 89 28.331 28.484 -0.153 1
1 896 . 9 1 1 A 80 80 GLN N N 89 121.308 121.084 0.224 1
1 897 . 9 1 1 A 81 81 GLY H H 90 8.791 8.955 -0.164 1
1 898 . 9 1 1 A 81 81 GLY HA2 H 90 4.332 4.043 0.289 1
1 899 . 9 1 1 A 81 81 GLY HA3 H 90 3.850 4.069 -0.219 1
1 900 . 9 1 1 A 81 81 GLY CA C 90 45.950 45.509 0.441 1
1 901 . 9 1 1 A 81 81 GLY N N 90 112.984 115.019 -2.035 1
1 902 . 9 1 1 A 82 82 ALA H H 91 7.951 8.015 -0.064 1
1 903 . 9 1 1 A 82 82 ALA HA H 91 4.485 4.198 0.287 1
1 907 . 9 1 1 A 82 82 ALA CA C 91 53.404 53.653 -0.249 1
1 908 . 9 1 1 A 82 82 ALA CB C 91 20.762 18.538 2.224 1
1 909 . 9 1 1 A 82 82 ALA N N 91 123.745 123.750 -0.005 1
1 910 . 9 1 1 A 83 83 GLY H H 92 8.860 8.939 -0.079 1
1 911 . 9 1 1 A 83 83 GLY HA2 H 92 4.270 4.187 0.083 1
1 912 . 9 1 1 A 83 83 GLY HA3 H 92 4.262 4.260 0.002 1
1 913 . 9 1 1 A 83 83 GLY CA C 92 46.689 45.273 1.416 1
1 914 . 9 1 1 A 83 83 GLY N N 92 105.564 111.017 -5.453 1
1 915 . 9 1 1 A 84 84 PHE H H 93 8.113 8.034 0.079 1
1 916 . 9 1 1 A 84 84 PHE HA H 93 3.440 4.533 -1.093 1
1 924 . 9 1 1 A 84 84 PHE CA C 93 59.932 57.330 2.602 1
1 925 . 9 1 1 A 84 84 PHE CB C 93 39.141 41.161 -2.020 1
1 929 . 9 1 1 A 84 84 PHE N N 93 121.215 120.636 0.579 1
1 930 . 9 1 1 A 85 85 LEU H H 94 8.204 7.210 0.994 1
1 931 . 9 1 1 A 85 85 LEU HA H 94 4.334 4.275 0.059 1
1 938 . 9 1 1 A 85 85 LEU CA C 94 53.569 55.169 -1.600 1
1 939 . 9 1 1 A 85 85 LEU CB C 94 43.255 44.070 -0.815 1
1 942 . 9 1 1 A 85 85 LEU N N 94 125.432 124.580 0.852 1
1 943 . 9 1 1 A 86 86 GLY HA2 H 95 4.222 3.641 0.581 1
1 944 . 9 1 1 A 86 86 GLY HA3 H 95 3.147 3.786 -0.639 1
1 945 . 9 1 1 A 86 86 GLY CA C 95 45.570 45.516 0.054 1
1 946 . 9 1 1 A 87 87 CYS H H 96 9.230 8.627 0.603 1
1 947 . 9 1 1 A 87 87 CYS HA H 96 5.838 5.165 0.673 1
1 949 . 9 1 1 A 87 87 CYS CA C 96 55.882 57.420 -1.538 1
1 950 . 9 1 1 A 87 87 CYS CB C 96 33.259 29.051 4.208 1
1 951 . 9 1 1 A 87 87 CYS N N 96 114.935 124.414 -9.479 1
1 952 . 9 1 1 A 88 88 VAL H H 97 9.242 9.062 0.180 1
1 953 . 9 1 1 A 88 88 VAL HA H 97 4.575 4.824 -0.249 1
1 961 . 9 1 1 A 88 88 VAL CA C 97 61.769 60.199 1.570 1
1 962 . 9 1 1 A 88 88 VAL CB C 97 35.684 33.940 1.744 1
1 965 . 9 1 1 A 88 88 VAL N N 97 115.966 125.767 -9.801 1
1 966 . 9 1 1 A 89 89 ARG H H 98 8.665 9.169 -0.504 1
1 967 . 9 1 1 A 89 89 ARG HA H 98 5.166 5.149 0.017 1
1 973 . 9 1 1 A 89 89 ARG CA C 98 54.929 54.425 0.504 1
1 974 . 9 1 1 A 89 89 ARG CB C 98 31.961 33.544 -1.583 1
1 977 . 9 1 1 A 89 89 ARG N N 98 125.526 130.001 -4.475 1
1 978 . 9 1 1 A 90 90 LEU H H 99 9.611 8.702 0.909 1
1 979 . 9 1 1 A 90 90 LEU HA H 99 4.644 5.212 -0.568 1
1 989 . 9 1 1 A 90 90 LEU CA C 99 53.217 53.025 0.192 1
1 990 . 9 1 1 A 90 90 LEU CB C 99 43.339 45.234 -1.895 1
1 994 . 9 1 1 A 90 90 LEU N N 99 127.119 126.823 0.296 1
1 995 . 9 1 1 A 91 91 LEU H H 100 7.953 8.598 -0.645 1
1 996 . 9 1 1 A 91 91 LEU HA H 100 4.540 4.678 -0.138 1
1 1005 . 9 1 1 A 91 91 LEU CA C 100 54.523 53.983 0.540 1
1 1006 . 9 1 1 A 91 91 LEU CB C 100 42.593 42.510 0.083 1
1 1010 . 9 1 1 A 91 91 LEU N N 100 122.527 124.778 -2.251 1
1 1011 . 9 1 1 A 92 92 SER H H 101 8.754 8.865 -0.111 1
1 1012 . 9 1 1 A 92 92 SER HA H 101 3.950 4.141 -0.191 1
1 1013 . 9 1 1 A 92 92 SER CA C 101 63.171 61.474 1.697 1
1 1014 . 9 1 1 A 92 92 SER N N 101 115.966 117.440 -1.474 1
1 1015 . 9 1 1 A 93 93 ASN H H 102 7.765 8.593 -0.828 1
1 1016 . 9 1 1 A 93 93 ASN HA H 102 4.500 4.430 0.070 1
1 1020 . 9 1 1 A 93 93 ASN CA C 102 56.487 56.128 0.359 1
1 1021 . 9 1 1 A 93 93 ASN CB C 102 37.514 37.537 -0.023 1
1 1022 . 9 1 1 A 93 93 ASN N N 102 116.950 117.941 -0.991 1
1 1024 . 9 1 1 A 94 94 ALA H H 103 7.345 7.729 -0.384 1
1 1025 . 9 1 1 A 94 94 ALA HA H 103 4.230 4.104 0.126 1
1 1029 . 9 1 1 A 94 94 ALA CA C 103 54.843 54.999 -0.156 1
1 1030 . 9 1 1 A 94 94 ALA CB C 103 19.643 18.418 1.225 1
1 1031 . 9 1 1 A 94 94 ALA N N 103 124.495 121.907 2.588 1
1 1032 . 9 1 1 A 95 95 ILE H H 104 8.322 8.177 0.145 1
1 1033 . 9 1 1 A 95 95 ILE HA H 104 3.280 3.614 -0.334 1
1 1043 . 9 1 1 A 95 95 ILE CA C 104 66.184 64.630 1.554 1
1 1044 . 9 1 1 A 95 95 ILE CB C 104 37.922 37.388 0.534 1
1 1048 . 9 1 1 A 95 95 ILE N N 104 119.310 119.347 -0.037 1
1 1049 . 9 1 1 A 96 96 ASN H H 105 7.815 7.747 0.068 1
1 1050 . 9 1 1 A 96 96 ASN HA H 105 4.332 4.460 -0.128 1
1 1052 . 9 1 1 A 96 96 ASN CA C 105 56.487 56.180 0.307 1
1 1053 . 9 1 1 A 96 96 ASN CB C 105 38.855 38.075 0.780 1
1 1054 . 9 1 1 A 96 96 ASN N N 105 114.748 118.926 -4.178 1
1 1055 . 9 1 1 A 97 97 ARG H H 106 7.595 7.675 -0.080 1
1 1056 . 9 1 1 A 97 97 ARG HA H 106 4.257 4.084 0.173 1
1 1061 . 9 1 1 A 97 97 ARG CA C 106 58.294 58.822 -0.528 1
1 1062 . 9 1 1 A 97 97 ARG CB C 106 31.401 29.833 1.568 1
1 1065 . 9 1 1 A 97 97 ARG N N 106 117.934 118.913 -0.979 1
1 1066 . 9 1 1 A 98 98 LEU H H 107 8.179 8.208 -0.029 1
1 1067 . 9 1 1 A 98 98 LEU HA H 107 4.288 4.429 -0.141 1
1 1077 . 9 1 1 A 98 98 LEU CA C 107 55.735 56.960 -1.225 1
1 1078 . 9 1 1 A 98 98 LEU CB C 107 44.264 41.335 2.929 1
1 1082 . 9 1 1 A 98 98 LEU N N 107 116.341 119.301 -2.960 1
1 1083 . 9 1 1 A 99 99 LYS H H 108 8.058 8.682 -0.624 1
1 1084 . 9 1 1 A 99 99 LYS HA H 108 4.078 4.590 -0.512 1
1 1091 . 9 1 1 A 99 99 LYS CA C 108 58.256 58.884 -0.628 1
1 1092 . 9 1 1 A 99 99 LYS CB C 108 32.520 31.750 0.770 1
1 1096 . 9 1 1 A 99 99 LYS N N 108 123.558 118.717 4.841 1
1 1097 . 9 1 1 A 100 100 ASP H H 109 9.305 7.545 1.760 1
1 1098 . 9 1 1 A 100 100 ASP HA H 109 4.672 4.376 0.296 1
1 1101 . 9 1 1 A 100 100 ASP CA C 109 57.047 56.727 0.320 1
1 1102 . 9 1 1 A 100 100 ASP CB C 109 39.041 40.491 -1.450 1
1 1103 . 9 1 1 A 100 100 ASP N N 109 115.779 120.135 -4.356 1
1 1104 . 9 1 1 A 101 101 THR H H 110 7.546 7.603 -0.057 1
1 1105 . 9 1 1 A 101 101 THR HA H 110 4.675 4.141 0.534 1
1 1110 . 9 1 1 A 101 101 THR CA C 110 61.895 63.755 -1.860 1
1 1111 . 9 1 1 A 101 101 THR CB C 110 70.432 69.299 1.133 1
1 1113 . 9 1 1 A 101 101 THR N N 110 129.087 111.431 17.656 1
1 1114 . 9 1 1 A 102 102 GLY H H 111 8.921 7.840 1.081 1
1 1115 . 9 1 1 A 102 102 GLY HA2 H 111 4.337 3.730 0.607 1
1 1116 . 9 1 1 A 102 102 GLY HA3 H 111 3.563 3.759 -0.196 1
1 1117 . 9 1 1 A 102 102 GLY CA C 111 44.062 45.047 -0.985 1
1 1118 . 9 1 1 A 102 102 GLY N N 111 112.780 110.850 1.930 1
1 1119 . 9 1 1 A 103 103 TYR H H 112 8.255 8.005 0.250 1
1 1120 . 9 1 1 A 103 103 TYR HA H 112 4.574 5.380 -0.806 1
1 1127 . 9 1 1 A 103 103 TYR CA C 112 59.745 56.412 3.333 1
1 1128 . 9 1 1 A 103 103 TYR CB C 112 38.295 41.682 -3.387 1
1 1131 . 9 1 1 A 103 103 TYR N N 112 117.653 118.647 -0.994 1
1 1132 . 9 1 1 A 104 104 GLN H H 113 9.435 9.140 0.295 1
1 1133 . 9 1 1 A 104 104 GLN HA H 113 4.659 5.045 -0.386 1
1 1140 . 9 1 1 A 104 104 GLN CA C 113 53.852 54.327 -0.475 1
1 1141 . 9 1 1 A 104 104 GLN CB C 113 31.128 31.460 -0.332 1
1 1143 . 9 1 1 A 104 104 GLN N N 113 121.964 123.606 -1.642 1
1 1145 . 9 1 1 A 105 105 ARG H H 114 8.670 9.003 -0.333 1
1 1146 . 9 1 1 A 105 105 ARG HA H 114 4.838 4.964 -0.126 1
1 1151 . 9 1 1 A 105 105 ARG CA C 114 55.090 55.010 0.080 1
1 1152 . 9 1 1 A 105 105 ARG CB C 114 31.401 30.736 0.665 1
1 1155 . 9 1 1 A 105 105 ARG N N 114 122.246 124.138 -1.892 1
1 1156 . 9 1 1 A 106 106 LEU H H 115 9.269 8.656 0.613 1
1 1157 . 9 1 1 A 106 106 LEU HA H 115 4.843 4.891 -0.048 1
1 1163 . 9 1 1 A 106 106 LEU CA C 115 53.317 53.539 -0.222 1
1 1164 . 9 1 1 A 106 106 LEU CB C 115 44.570 44.080 0.490 1
1 1166 . 9 1 1 A 106 106 LEU N N 115 126.088 126.053 0.035 1
1 1167 . 9 1 1 A 107 107 ASP H H 116 8.582 8.705 -0.123 1
1 1168 . 9 1 1 A 107 107 ASP HA H 116 4.748 4.878 -0.130 1
1 1171 . 9 1 1 A 107 107 ASP CA C 116 55.402 54.174 1.228 1
1 1172 . 9 1 1 A 107 107 ASP CB C 116 41.280 41.492 -0.212 1
1 1173 . 9 1 1 A 107 107 ASP N N 116 122.714 124.239 -1.525 1
1 1174 . 9 1 1 A 108 108 LEU H H 117 8.067 8.559 -0.492 1
1 1175 . 9 1 1 A 108 108 LEU HA H 117 4.195 4.498 -0.303 1
1 1185 . 9 1 1 A 108 108 LEU CA C 117 55.308 54.828 0.480 1
1 1186 . 9 1 1 A 108 108 LEU CB C 117 42.871 41.788 1.083 1
1 1190 . 9 1 1 A 108 108 LEU N N 117 121.121 124.652 -3.531 1
1 1191 . 9 1 1 A 109 109 CYS H H 118 9.705 8.631 1.074 1
1 1192 . 9 1 1 A 109 109 CYS HA H 118 4.839 4.871 -0.032 1
1 1195 . 9 1 1 A 109 109 CYS CA C 118 57.979 57.969 0.010 1
1 1196 . 9 1 1 A 109 109 CYS CB C 118 31.953 32.085 -0.132 1
1 1197 . 9 1 1 A 109 109 CYS N N 118 118.403 122.498 -4.095 1
1 1198 . 9 1 1 A 110 110 LYS H H 119 8.419 8.363 0.056 1
1 1199 . 9 1 1 A 110 110 LYS HA H 119 4.426 4.532 -0.106 1
1 1207 . 9 1 1 A 110 110 LYS CA C 119 56.957 56.662 0.295 1
1 1208 . 9 1 1 A 110 110 LYS CB C 119 34.386 33.023 1.363 1
1 1212 . 9 1 1 A 110 110 LYS N N 119 120.090 121.398 -1.308 1
1 1213 . 9 1 1 A 111 111 LEU H H 120 9.016 8.358 0.658 1
1 1214 . 9 1 1 A 111 111 LEU HA H 120 4.054 3.981 0.073 1
1 1223 . 9 1 1 A 111 111 LEU CA C 120 57.694 56.957 0.737 1
1 1224 . 9 1 1 A 111 111 LEU CB C 120 43.062 42.367 0.695 1
1 1227 . 9 1 1 A 111 111 LEU N N 120 123.089 122.557 0.532 1
1 1228 . 9 1 1 A 112 112 GLY H H 121 7.578 7.331 0.247 1
1 1229 . 9 1 1 A 112 112 GLY HA2 H 121 4.320 3.993 0.327 1
1 1230 . 9 1 1 A 112 112 GLY HA3 H 121 3.863 4.005 -0.142 1
1 1231 . 9 1 1 A 112 112 GLY CA C 121 44.644 45.154 -0.510 1
1 1232 . 9 1 1 A 112 112 GLY N N 121 105.939 104.167 1.772 1
1 1233 . 9 1 1 A 113 113 PRO HA H 122 4.365 4.398 -0.033 1
1 1240 . 9 1 1 A 113 113 PRO CA C 122 64.692 64.656 0.036 1
1 1241 . 9 1 1 A 113 113 PRO CB C 122 32.663 32.147 0.516 1
1 1244 . 9 1 1 A 114 114 ASN H H 123 8.603 8.299 0.304 1
1 1245 . 9 1 1 A 114 114 ASN HA H 123 4.899 4.896 0.003 1
1 1250 . 9 1 1 A 114 114 ASN CA C 123 52.944 52.773 0.171 1
1 1251 . 9 1 1 A 114 114 ASN CB C 123 39.041 38.952 0.089 1
1 1252 . 9 1 1 A 114 114 ASN N N 123 115.591 115.721 -0.130 1
1 1254 . 9 1 1 A 115 115 ASP H H 124 7.507 7.825 -0.318 1
1 1255 . 9 1 1 A 115 115 ASP HA H 124 4.507 4.909 -0.402 1
1 1258 . 9 1 1 A 115 115 ASP CA C 124 54.843 52.777 2.066 1
1 1259 . 9 1 1 A 115 115 ASP CB C 124 41.620 41.574 0.046 1
1 1260 . 9 1 1 A 115 115 ASP N N 124 121.215 118.891 2.324 1
1 1261 . 9 1 1 A 116 116 ASN H H 125 8.741 8.251 0.490 1
1 1262 . 9 1 1 A 116 116 ASN HA H 125 4.823 4.403 0.420 1
1 1267 . 9 1 1 A 116 116 ASN CA C 125 53.447 53.878 -0.431 1
1 1268 . 9 1 1 A 116 116 ASN CB C 125 43.830 36.974 6.856 1
1 1269 . 9 1 1 A 116 116 ASN N N 125 120.137 116.991 3.146 1
1 1271 . 9 1 1 A 117 117 ASP H H 126 8.039 8.455 -0.416 1
1 1272 . 9 1 1 A 117 117 ASP HA H 126 4.745 4.825 -0.080 1
1 1274 . 9 1 1 A 117 117 ASP CA C 126 54.436 53.445 0.991 1
1 1275 . 9 1 1 A 117 117 ASP CB C 126 42.046 40.087 1.959 1
1 1276 . 9 1 1 A 117 117 ASP N N 126 120.746 122.260 -1.514 1
1 1277 . 9 1 1 A 118 118 THR H H 127 8.361 7.985 0.376 1
1 1278 . 9 1 1 A 118 118 THR HA H 127 4.331 4.698 -0.367 1
1 1283 . 9 1 1 A 118 118 THR CA C 127 62.454 60.285 2.169 1
1 1284 . 9 1 1 A 118 118 THR CB C 127 70.191 68.735 1.456 1
1 1286 . 9 1 1 A 118 118 THR N N 127 116.903 110.975 5.928 1
1 1287 . 9 1 1 A 119 119 VAL H H 128 8.152 7.771 0.381 1
1 1288 . 9 1 1 A 119 119 VAL HA H 128 4.172 5.123 -0.951 1
1 1296 . 9 1 1 A 119 119 VAL CA C 128 61.051 59.322 1.729 1
1 1297 . 9 1 1 A 119 119 VAL CB C 128 35.124 35.656 -0.532 1
1 1300 . 9 1 1 A 119 119 VAL N N 128 119.903 118.645 1.258 1
1 1301 . 9 1 1 A 120 120 ARG H H 129 7.884 8.610 -0.726 1
1 1302 . 9 1 1 A 120 120 ARG HA H 129 4.719 4.797 -0.078 1
1 1307 . 9 1 1 A 120 120 ARG CA C 129 55.555 56.059 -0.504 1
1 1308 . 9 1 1 A 120 120 ARG CB C 129 34.945 31.815 3.130 1
1 1311 . 9 1 1 A 120 120 ARG N N 129 122.621 121.896 0.725 1
1 1312 . 9 1 1 A 121 121 GLY H H 130 8.289 8.049 0.240 1
1 1313 . 9 1 1 A 121 121 GLY HA2 H 130 4.605 4.232 0.373 1
1 1314 . 9 1 1 A 121 121 GLY HA3 H 130 3.803 4.245 -0.442 1
1 1315 . 9 1 1 A 121 121 GLY CA C 130 45.756 45.806 -0.050 1
1 1316 . 9 1 1 A 121 121 GLY N N 130 107.626 112.464 -4.838 1
1 1317 . 9 1 1 A 122 122 GLN H H 131 8.408 8.750 -0.342 1
1 1318 . 9 1 1 A 122 122 GLN HA H 131 5.434 5.265 0.169 1
1 1323 . 9 1 1 A 122 122 GLN CA C 131 54.809 54.087 0.722 1
1 1324 . 9 1 1 A 122 122 GLN CB C 131 34.756 33.418 1.338 1
1 1326 . 9 1 1 A 122 122 GLN N N 131 114.654 118.289 -3.635 1
1 1328 . 9 1 1 A 123 123 ILE H H 132 9.273 8.669 0.604 1
1 1329 . 9 1 1 A 123 123 ILE HA H 132 5.207 4.705 0.502 1
1 1339 . 9 1 1 A 123 123 ILE CA C 132 59.284 60.092 -0.808 1
1 1340 . 9 1 1 A 123 123 ILE CB C 132 44.085 41.644 2.441 1
1 1344 . 9 1 1 A 123 123 ILE N N 132 118.216 121.024 -2.808 1
1 1345 . 9 1 1 A 124 124 VAL H H 133 8.750 9.194 -0.444 1
1 1346 . 9 1 1 A 124 124 VAL HA H 133 5.338 4.822 0.516 1
1 1354 . 9 1 1 A 124 124 VAL CA C 133 61.611 61.346 0.265 1
1 1355 . 9 1 1 A 124 124 VAL CB C 133 32.620 33.043 -0.423 1
1 1358 . 9 1 1 A 124 124 VAL N N 133 126.088 128.701 -2.613 1
1 1359 . 9 1 1 A 125 125 VAL H H 134 8.698 9.300 -0.602 1
1 1360 . 9 1 1 A 125 125 VAL HA H 134 5.859 5.616 0.243 1
1 1368 . 9 1 1 A 125 125 VAL CA C 134 57.880 59.130 -1.250 1
1 1369 . 9 1 1 A 125 125 VAL CB C 134 36.990 36.614 0.376 1
1 1372 . 9 1 1 A 125 125 VAL N N 134 117.895 121.712 -3.817 1
1 1373 . 9 1 1 A 126 126 SER H H 135 8.746 8.870 -0.124 1
1 1374 . 9 1 1 A 126 126 SER HA H 135 4.881 5.330 -0.449 1
1 1377 . 9 1 1 A 126 126 SER CA C 135 56.860 57.252 -0.392 1
1 1378 . 9 1 1 A 126 126 SER CB C 135 66.695 65.916 0.779 1
1 1379 . 9 1 1 A 126 126 SER N N 135 112.967 115.796 -2.829 1
1 1380 . 9 1 1 A 127 127 LEU H H 136 9.710 8.701 1.009 1
1 1381 . 9 1 1 A 127 127 LEU HA H 136 5.244 5.394 -0.150 1
1 1390 . 9 1 1 A 127 127 LEU CA C 136 54.436 52.597 1.839 1
1 1391 . 9 1 1 A 127 127 LEU CB C 136 46.137 45.493 0.644 1
1 1395 . 9 1 1 A 127 127 LEU N N 136 125.760 122.174 3.586 1
1 1396 . 9 1 1 A 128 128 GLN H H 137 9.256 8.219 1.037 1
1 1397 . 9 1 1 A 128 128 GLN HA H 137 5.128 5.311 -0.183 1
1 1404 . 9 1 1 A 128 128 GLN CA C 137 54.063 54.400 -0.337 1
1 1405 . 9 1 1 A 128 128 GLN CB C 137 34.063 32.718 1.345 1
1 1407 . 9 1 1 A 128 128 GLN N N 137 125.526 120.994 4.532 1
1 1409 . 9 1 1 A 129 129 SER H H 138 8.222 8.590 -0.368 1
1 1410 . 9 1 1 A 129 129 SER HA H 138 4.476 4.789 -0.313 1
1 1413 . 9 1 1 A 129 129 SER CA C 138 60.814 57.707 3.107 1
1 1414 . 9 1 1 A 129 129 SER CB C 138 63.116 63.647 -0.531 1
1 1415 . 9 1 1 A 129 129 SER N N 138 125.620 118.502 7.118 1
1 1416 . 9 1 1 A 130 130 ARG H H 139 8.032 8.947 -0.915 1
1 1417 . 9 1 1 A 130 130 ARG HA H 139 4.601 4.563 0.038 1
1 1424 . 9 1 1 A 130 130 ARG CA C 139 53.934 54.988 -1.054 1
1 1425 . 9 1 1 A 130 130 ARG CB C 139 32.334 32.268 0.066 1
1 1428 . 9 1 1 A 130 130 ARG N N 139 123.136 124.389 -1.253 1
1 6 . 10 1 1 A 2 2 PRO HA H 11 4.498 4.768 -0.270 1
1 11 . 10 1 1 A 2 2 PRO CA C 11 63.103 62.839 0.264 1
1 12 . 10 1 1 A 2 2 PRO CB C 11 32.993 32.616 0.377 1
1 15 . 10 1 1 A 3 3 VAL H H 12 8.356 8.394 -0.038 1
1 16 . 10 1 1 A 3 3 VAL HA H 12 4.370 4.713 -0.343 1
1 24 . 10 1 1 A 3 3 VAL CA C 12 60.982 59.601 1.381 1
1 25 . 10 1 1 A 3 3 VAL CB C 12 34.005 34.191 -0.186 1
1 28 . 10 1 1 A 3 3 VAL N N 12 119.528 115.182 4.346 1
1 29 . 10 1 1 A 4 4 LYS H H 13 8.542 8.779 -0.237 1
1 30 . 10 1 1 A 4 4 LYS HA H 13 4.752 5.066 -0.314 1
1 38 . 10 1 1 A 4 4 LYS CA C 13 55.339 55.768 -0.429 1
1 39 . 10 1 1 A 4 4 LYS CB C 13 33.640 33.613 0.027 1
1 43 . 10 1 1 A 4 4 LYS N N 13 125.901 123.752 2.149 1
1 44 . 10 1 1 A 5 5 LEU H H 14 8.887 8.913 -0.026 1
1 45 . 10 1 1 A 5 5 LEU HA H 14 4.927 5.182 -0.255 1
1 51 . 10 1 1 A 5 5 LEU CA C 14 52.944 53.447 -0.503 1
1 52 . 10 1 1 A 5 5 LEU CB C 14 47.069 45.852 1.217 1
1 54 . 10 1 1 A 5 5 LEU N N 14 126.276 128.363 -2.087 1
1 55 . 10 1 1 A 6 6 ARG H H 15 9.361 8.770 0.591 1
1 56 . 10 1 1 A 6 6 ARG HA H 15 5.205 5.231 -0.026 1
1 61 . 10 1 1 A 6 6 ARG CA C 15 55.064 54.827 0.237 1
1 62 . 10 1 1 A 6 6 ARG CB C 15 31.979 32.332 -0.353 1
1 64 . 10 1 1 A 6 6 ARG N N 15 123.745 128.684 -4.939 1
1 65 . 10 1 1 A 7 7 LEU H H 16 9.694 8.843 0.851 1
1 66 . 10 1 1 A 7 7 LEU HA H 16 5.437 4.981 0.456 1
1 73 . 10 1 1 A 7 7 LEU CA C 16 53.777 53.490 0.287 1
1 74 . 10 1 1 A 7 7 LEU CB C 16 45.577 43.944 1.633 1
1 77 . 10 1 1 A 7 7 LEU N N 16 111.467 128.943 -17.476 1
1 78 . 10 1 1 A 8 8 THR H H 17 9.470 9.209 0.261 1
1 79 . 10 1 1 A 8 8 THR HA H 17 4.904 4.864 0.040 1
1 84 . 10 1 1 A 8 8 THR CA C 17 62.827 62.196 0.631 1
1 85 . 10 1 1 A 8 8 THR CB C 17 69.540 69.039 0.501 1
1 87 . 10 1 1 A 8 8 THR N N 17 124.589 124.313 0.276 1
1 88 . 10 1 1 A 9 9 VAL H H 18 9.339 9.237 0.102 1
1 89 . 10 1 1 A 9 9 VAL HA H 18 4.374 4.144 0.230 1
1 97 . 10 1 1 A 9 9 VAL CA C 18 61.708 62.924 -1.216 1
1 98 . 10 1 1 A 9 9 VAL CB C 18 31.021 30.673 0.348 1
1 101 . 10 1 1 A 9 9 VAL N N 18 127.963 128.114 -0.151 1
1 102 . 10 1 1 A 10 10 LEU H H 19 8.957 8.314 0.643 1
1 103 . 10 1 1 A 10 10 LEU HA H 19 4.334 4.275 0.059 1
1 113 . 10 1 1 A 10 10 LEU CA C 19 59.232 57.663 1.569 1
1 114 . 10 1 1 A 10 10 LEU CB C 19 43.525 42.816 0.709 1
1 118 . 10 1 1 A 10 10 LEU N N 19 127.775 129.399 -1.624 1
1 119 . 10 1 1 A 11 11 CYS H H 20 8.038 7.540 0.498 1
1 120 . 10 1 1 A 11 11 CYS HA H 20 5.152 4.583 0.569 1
1 123 . 10 1 1 A 11 11 CYS CA C 20 55.928 57.139 -1.211 1
1 124 . 10 1 1 A 11 11 CYS CB C 20 30.655 30.129 0.526 1
1 125 . 10 1 1 A 11 11 CYS N N 20 109.968 112.764 -2.796 1
1 126 . 10 1 1 A 12 12 ALA H H 21 8.485 8.210 0.275 1
1 127 . 10 1 1 A 12 12 ALA HA H 21 5.397 5.429 -0.032 1
1 131 . 10 1 1 A 12 12 ALA CA C 21 50.707 50.582 0.125 1
1 132 . 10 1 1 A 12 12 ALA CB C 21 22.550 23.210 -0.660 1
1 133 . 10 1 1 A 12 12 ALA N N 21 119.247 123.726 -4.479 1
1 134 . 10 1 1 A 13 13 LYS H H 22 8.905 8.756 0.149 1
1 135 . 10 1 1 A 13 13 LYS HA H 22 5.144 4.862 0.282 1
1 141 . 10 1 1 A 13 13 LYS CA C 22 54.063 54.771 -0.708 1
1 142 . 10 1 1 A 13 13 LYS CB C 22 37.217 36.033 1.184 1
1 146 . 10 1 1 A 13 13 LYS N N 22 117.934 119.314 -1.380 1
1 147 . 10 1 1 A 14 14 ASN H H 23 9.099 9.028 0.071 1
1 148 . 10 1 1 A 14 14 ASN HA H 23 4.187 4.316 -0.129 1
1 153 . 10 1 1 A 14 14 ASN CA C 23 53.735 53.803 -0.068 1
1 154 . 10 1 1 A 14 14 ASN CB C 23 37.736 37.005 0.731 1
1 155 . 10 1 1 A 14 14 ASN N N 23 118.684 120.025 -1.341 1
1 157 . 10 1 1 A 15 15 LEU H H 24 8.294 7.850 0.444 1
1 158 . 10 1 1 A 15 15 LEU HA H 24 5.161 4.269 0.892 1
1 165 . 10 1 1 A 15 15 LEU CA C 24 55.261 54.970 0.291 1
1 166 . 10 1 1 A 15 15 LEU CB C 24 42.966 41.572 1.394 1
1 169 . 10 1 1 A 15 15 LEU N N 24 114.373 119.841 -5.468 1
1 170 . 10 1 1 A 16 16 VAL H H 25 8.533 8.679 -0.146 1
1 171 . 10 1 1 A 16 16 VAL HA H 25 3.635 4.001 -0.366 1
1 179 . 10 1 1 A 16 16 VAL CA C 25 62.318 63.136 -0.818 1
1 180 . 10 1 1 A 16 16 VAL CB C 25 33.064 32.769 0.295 1
1 183 . 10 1 1 A 16 16 VAL N N 25 119.200 125.536 -6.336 1
1 184 . 10 1 1 A 17 17 LYS H H 26 7.950 8.735 -0.785 1
1 185 . 10 1 1 A 17 17 LYS HA H 26 4.302 4.003 0.299 1
1 192 . 10 1 1 A 17 17 LYS CA C 26 54.150 58.455 -4.305 1
1 193 . 10 1 1 A 17 17 LYS CB C 26 33.826 32.364 1.462 1
1 197 . 10 1 1 A 17 17 LYS N N 26 128.056 130.028 -1.972 1
1 198 . 10 1 1 A 18 18 LYS H H 27 8.549 7.847 0.702 1
1 199 . 10 1 1 A 18 18 LYS HA H 27 4.078 3.937 0.141 1
1 207 . 10 1 1 A 18 18 LYS CA C 27 58.626 58.881 -0.255 1
1 208 . 10 1 1 A 18 18 LYS CB C 27 33.826 30.899 2.927 1
1 211 . 10 1 1 A 18 18 LYS N N 27 125.760 116.199 9.561 1
1 212 . 10 1 1 A 19 19 ASP H H 28 8.438 8.460 -0.022 1
1 213 . 10 1 1 A 19 19 ASP HA H 28 4.801 5.071 -0.270 1
1 216 . 10 1 1 A 19 19 ASP CA C 28 52.964 53.043 -0.079 1
1 217 . 10 1 1 A 19 19 ASP CB C 28 43.518 42.496 1.022 1
1 218 . 10 1 1 A 19 19 ASP N N 28 119.247 118.215 1.032 1
1 219 . 10 1 1 A 20 20 PHE H H 29 8.506 9.196 -0.690 1
1 220 . 10 1 1 A 20 20 PHE HA H 29 4.049 3.965 0.084 1
1 227 . 10 1 1 A 20 20 PHE CA C 29 60.767 61.780 -1.013 1
1 228 . 10 1 1 A 20 20 PHE CB C 29 39.305 39.588 -0.283 1
1 231 . 10 1 1 A 20 20 PHE N N 29 122.011 123.344 -1.333 1
1 232 . 10 1 1 A 21 21 PHE H H 30 8.350 8.522 -0.172 1
1 233 . 10 1 1 A 21 21 PHE HA H 30 4.677 4.331 0.346 1
1 240 . 10 1 1 A 21 21 PHE CA C 30 57.789 61.700 -3.911 1
1 241 . 10 1 1 A 21 21 PHE CB C 30 40.824 38.482 2.342 1
1 244 . 10 1 1 A 21 21 PHE N N 30 113.764 116.056 -2.292 1
1 245 . 10 1 1 A 22 22 ARG H H 31 7.631 7.689 -0.058 1
1 246 . 10 1 1 A 22 22 ARG HA H 31 4.614 4.865 -0.251 1
1 252 . 10 1 1 A 22 22 ARG CA C 31 55.325 54.057 1.268 1
1 253 . 10 1 1 A 22 22 ARG CB C 31 33.640 33.509 0.131 1
1 256 . 10 1 1 A 22 22 ARG N N 31 118.778 118.470 0.308 1
1 257 . 10 1 1 A 23 23 LEU H H 32 8.699 8.715 -0.016 1
1 258 . 10 1 1 A 23 23 LEU HA H 32 4.509 5.021 -0.512 1
1 268 . 10 1 1 A 23 23 LEU CA C 32 52.758 51.483 1.275 1
1 269 . 10 1 1 A 23 23 LEU CB C 32 42.593 45.592 -2.999 1
1 273 . 10 1 1 A 23 23 LEU N N 32 123.464 121.779 1.685 1
1 274 . 10 1 1 A 24 24 PRO HA H 33 4.648 5.266 -0.618 1
1 281 . 10 1 1 A 24 24 PRO CA C 33 62.753 62.116 0.637 1
1 282 . 10 1 1 A 24 24 PRO CB C 33 33.965 32.681 1.284 1
1 285 . 10 1 1 A 25 25 ASP H H 34 7.463 8.682 -1.219 1
1 286 . 10 1 1 A 25 25 ASP HA H 34 6.052 5.975 0.077 1
1 289 . 10 1 1 A 25 25 ASP CA C 34 51.080 51.821 -0.741 1
1 290 . 10 1 1 A 25 25 ASP CB C 34 42.779 41.712 1.067 1
1 291 . 10 1 1 A 25 25 ASP N N 34 117.091 121.570 -4.479 1
1 292 . 10 1 1 A 26 26 PRO HA H 35 5.968 5.024 0.944 1
1 299 . 10 1 1 A 26 26 PRO CA C 35 62.827 63.020 -0.193 1
1 300 . 10 1 1 A 26 26 PRO CB C 35 35.132 32.739 2.393 1
1 303 . 10 1 1 A 27 27 PHE H H 36 9.284 8.900 0.384 1
1 304 . 10 1 1 A 27 27 PHE HA H 36 5.009 5.315 -0.306 1
1 312 . 10 1 1 A 27 27 PHE CA C 36 56.301 56.128 0.173 1
1 313 . 10 1 1 A 27 27 PHE CB C 36 42.689 41.256 1.433 1
1 317 . 10 1 1 A 27 27 PHE N N 36 120.090 118.804 1.286 1
1 318 . 10 1 1 A 28 28 ALA H H 37 8.408 8.591 -0.183 1
1 319 . 10 1 1 A 28 28 ALA HA H 37 5.481 5.162 0.319 1
1 323 . 10 1 1 A 28 28 ALA CA C 37 49.186 49.709 -0.523 1
1 324 . 10 1 1 A 28 28 ALA CB C 37 20.389 22.629 -2.240 1
1 325 . 10 1 1 A 28 28 ALA N N 37 122.433 121.304 1.129 1
1 326 . 10 1 1 A 29 29 LYS H H 38 9.617 8.830 0.787 1
1 327 . 10 1 1 A 29 29 LYS HA H 38 5.267 5.172 0.095 1
1 335 . 10 1 1 A 29 29 LYS CA C 38 54.901 54.911 -0.010 1
1 336 . 10 1 1 A 29 29 LYS CB C 38 36.624 34.818 1.806 1
1 340 . 10 1 1 A 29 29 LYS N N 38 121.964 119.555 2.409 1
1 341 . 10 1 1 A 30 30 VAL H H 39 9.159 9.084 0.075 1
1 342 . 10 1 1 A 30 30 VAL HA H 39 4.494 4.728 -0.234 1
1 350 . 10 1 1 A 30 30 VAL CA C 39 61.335 61.870 -0.535 1
1 351 . 10 1 1 A 30 30 VAL CB C 39 34.954 32.563 2.391 1
1 354 . 10 1 1 A 30 30 VAL N N 39 124.497 126.580 -2.083 1
1 355 . 10 1 1 A 31 31 VAL H H 40 8.659 8.815 -0.156 1
1 356 . 10 1 1 A 31 31 VAL HA H 40 5.091 5.005 0.086 1
1 364 . 10 1 1 A 31 31 VAL CA C 40 59.898 59.123 0.775 1
1 365 . 10 1 1 A 31 31 VAL CB C 40 36.959 35.656 1.303 1
1 368 . 10 1 1 A 31 31 VAL N N 40 124.589 121.032 3.557 1
1 369 . 10 1 1 A 32 32 VAL H H 41 7.786 8.428 -0.642 1
1 370 . 10 1 1 A 32 32 VAL HA H 41 4.660 4.616 0.044 1
1 378 . 10 1 1 A 32 32 VAL CA C 41 62.268 61.232 1.036 1
1 379 . 10 1 1 A 32 32 VAL CB C 41 30.995 33.404 -2.409 1
1 382 . 10 1 1 A 32 32 VAL N N 41 125.385 122.181 3.204 1
1 383 . 10 1 1 A 33 33 ASP H H 42 8.568 8.827 -0.259 1
1 384 . 10 1 1 A 33 33 ASP HA H 42 4.310 4.656 -0.346 1
1 386 . 10 1 1 A 33 33 ASP CA C 42 57.321 53.814 3.507 1
1 387 . 10 1 1 A 33 33 ASP CB C 42 40.727 39.971 0.756 1
1 388 . 10 1 1 A 33 33 ASP N N 42 130.868 128.212 2.656 1
1 389 . 10 1 1 A 34 34 GLY HA2 H 43 4.230 3.972 0.258 1
1 390 . 10 1 1 A 34 34 GLY HA3 H 43 3.818 3.979 -0.161 1
1 391 . 10 1 1 A 34 34 GLY CA C 43 46.510 45.487 1.023 1
1 392 . 10 1 1 A 35 35 SER H H 44 8.049 8.231 -0.182 1
1 393 . 10 1 1 A 35 35 SER HA H 44 4.928 4.601 0.327 1
1 396 . 10 1 1 A 35 35 SER CA C 44 58.067 59.044 -0.977 1
1 397 . 10 1 1 A 35 35 SER CB C 44 67.393 64.939 2.454 1
1 398 . 10 1 1 A 35 35 SER N N 44 115.029 115.771 -0.742 1
1 399 . 10 1 1 A 36 36 GLY H H 45 8.637 8.077 0.560 1
1 400 . 10 1 1 A 36 36 GLY HA2 H 45 4.338 3.951 0.387 1
1 401 . 10 1 1 A 36 36 GLY HA3 H 45 3.884 3.953 -0.069 1
1 402 . 10 1 1 A 36 36 GLY CA C 45 46.137 45.376 0.761 1
1 403 . 10 1 1 A 36 36 GLY N N 45 109.265 111.053 -1.788 1
1 404 . 10 1 1 A 37 37 GLN H H 46 8.329 7.903 0.426 1
1 405 . 10 1 1 A 37 37 GLN HA H 46 4.339 4.271 0.068 1
1 412 . 10 1 1 A 37 37 GLN CA C 46 56.002 57.022 -1.020 1
1 413 . 10 1 1 A 37 37 GLN CB C 46 30.241 29.604 0.637 1
1 415 . 10 1 1 A 37 37 GLN N N 46 120.699 120.683 0.016 1
1 417 . 10 1 1 A 38 38 CYS H H 47 7.787 8.469 -0.682 1
1 418 . 10 1 1 A 38 38 CYS HA H 47 5.257 5.837 -0.580 1
1 420 . 10 1 1 A 38 38 CYS CA C 47 56.761 56.692 0.069 1
1 421 . 10 1 1 A 38 38 CYS CB C 47 29.250 31.184 -1.934 1
1 422 . 10 1 1 A 38 38 CYS N N 47 124.214 121.518 2.696 1
1 423 . 10 1 1 A 39 39 HIS H H 48 8.906 8.879 0.027 1
1 424 . 10 1 1 A 39 39 HIS HA H 48 4.730 4.920 -0.190 1
1 428 . 10 1 1 A 39 39 HIS CA C 48 54.888 54.160 0.728 1
1 429 . 10 1 1 A 39 39 HIS CB C 48 34.688 34.123 0.565 1
1 431 . 10 1 1 A 39 39 HIS N N 48 125.807 119.522 6.285 1
1 432 . 10 1 1 A 40 40 SER H H 49 8.728 8.740 -0.012 1
1 433 . 10 1 1 A 40 40 SER HA H 49 5.732 5.433 0.299 1
1 436 . 10 1 1 A 40 40 SER CA C 49 57.041 57.398 -0.357 1
1 437 . 10 1 1 A 40 40 SER CB C 49 66.274 66.553 -0.279 1
1 438 . 10 1 1 A 40 40 SER N N 49 116.034 114.366 1.668 1
1 439 . 10 1 1 A 41 41 THR H H 50 9.212 8.945 0.267 1
1 440 . 10 1 1 A 41 41 THR HA H 50 4.477 5.020 -0.543 1
1 445 . 10 1 1 A 41 41 THR CA C 50 61.457 59.634 1.823 1
1 446 . 10 1 1 A 41 41 THR CB C 50 72.337 70.831 1.506 1
1 448 . 10 1 1 A 41 41 THR N N 50 115.404 113.098 2.306 1
1 449 . 10 1 1 A 42 42 ASP H H 51 9.424 8.652 0.772 1
1 450 . 10 1 1 A 42 42 ASP HA H 51 4.676 4.554 0.122 1
1 453 . 10 1 1 A 42 42 ASP CA C 51 54.996 55.116 -0.120 1
1 454 . 10 1 1 A 42 42 ASP CB C 51 41.543 41.650 -0.107 1
1 455 . 10 1 1 A 42 42 ASP N N 51 119.340 122.832 -3.492 1
1 456 . 10 1 1 A 43 43 THR H H 52 8.650 8.563 0.087 1
1 457 . 10 1 1 A 43 43 THR HA H 52 4.858 5.097 -0.239 1
1 462 . 10 1 1 A 43 43 THR CA C 52 62.637 62.001 0.636 1
1 463 . 10 1 1 A 43 43 THR CB C 52 70.191 70.633 -0.442 1
1 465 . 10 1 1 A 43 43 THR N N 52 117.836 117.590 0.246 1
1 466 . 10 1 1 A 44 44 VAL H H 53 8.266 9.192 -0.926 1
1 467 . 10 1 1 A 44 44 VAL HA H 53 4.363 4.567 -0.204 1
1 475 . 10 1 1 A 44 44 VAL CA C 53 61.086 61.138 -0.052 1
1 476 . 10 1 1 A 44 44 VAL CB C 53 33.361 33.343 0.018 1
1 479 . 10 1 1 A 44 44 VAL N N 53 127.775 126.343 1.432 1
1 480 . 10 1 1 A 45 45 LYS H H 54 8.163 8.597 -0.434 1
1 481 . 10 1 1 A 45 45 LYS HA H 54 4.229 4.617 -0.388 1
1 487 . 10 1 1 A 45 45 LYS CA C 54 56.627 57.125 -0.498 1
1 488 . 10 1 1 A 45 45 LYS CB C 54 33.739 32.604 1.135 1
1 492 . 10 1 1 A 45 45 LYS N N 54 120.934 127.669 -6.735 1
1 493 . 10 1 1 A 46 46 ASN H H 55 9.642 8.730 0.912 1
1 494 . 10 1 1 A 46 46 ASN HA H 55 4.150 4.737 -0.587 1
1 499 . 10 1 1 A 46 46 ASN CA C 55 54.029 53.807 0.222 1
1 500 . 10 1 1 A 46 46 ASN CB C 55 38.668 36.440 2.228 1
1 501 . 10 1 1 A 46 46 ASN N N 55 121.215 121.665 -0.450 1
1 503 . 10 1 1 A 47 47 THR H H 56 8.246 7.943 0.303 1
1 504 . 10 1 1 A 47 47 THR HA H 56 4.661 4.786 -0.125 1
1 509 . 10 1 1 A 47 47 THR CA C 56 60.963 60.478 0.485 1
1 510 . 10 1 1 A 47 47 THR CB C 56 68.512 69.585 -1.073 1
1 512 . 10 1 1 A 47 47 THR N N 56 111.936 117.347 -5.411 1
1 513 . 10 1 1 A 48 48 LEU H H 57 8.245 8.465 -0.220 1
1 514 . 10 1 1 A 48 48 LEU HA H 57 4.410 4.575 -0.165 1
1 524 . 10 1 1 A 48 48 LEU CA C 57 53.641 53.584 0.057 1
1 525 . 10 1 1 A 48 48 LEU CB C 57 41.570 41.584 -0.014 1
1 529 . 10 1 1 A 48 48 LEU N N 57 122.433 124.271 -1.838 1
1 530 . 10 1 1 A 49 49 ASP H H 58 8.544 7.979 0.565 1
1 531 . 10 1 1 A 49 49 ASP HA H 58 5.419 5.280 0.139 1
1 534 . 10 1 1 A 49 49 ASP CA C 58 51.826 51.568 0.258 1
1 535 . 10 1 1 A 49 49 ASP CB C 58 44.085 41.448 2.637 1
1 536 . 10 1 1 A 49 49 ASP N N 58 116.903 118.789 -1.886 1
1 537 . 10 1 1 A 50 50 PRO HA H 59 3.790 4.463 -0.673 1
1 543 . 10 1 1 A 50 50 PRO CA C 59 63.219 62.054 1.165 1
1 544 . 10 1 1 A 50 50 PRO CB C 59 32.661 32.946 -0.285 1
1 547 . 10 1 1 A 51 51 LYS H H 60 7.806 7.877 -0.071 1
1 548 . 10 1 1 A 51 51 LYS HA H 60 4.224 4.586 -0.362 1
1 555 . 10 1 1 A 51 51 LYS CA C 60 55.521 54.825 0.696 1
1 556 . 10 1 1 A 51 51 LYS CB C 60 33.826 35.830 -2.004 1
1 560 . 10 1 1 A 51 51 LYS N N 60 119.996 116.717 3.279 1
1 561 . 10 1 1 A 52 52 TRP H H 61 7.791 8.421 -0.630 1
1 562 . 10 1 1 A 52 52 TRP HA H 61 4.824 4.855 -0.031 1
1 570 . 10 1 1 A 52 52 TRP CA C 61 60.590 57.413 3.177 1
1 571 . 10 1 1 A 52 52 TRP CB C 61 29.715 31.290 -1.575 1
1 576 . 10 1 1 A 52 52 TRP N N 61 122.386 119.745 2.641 1
1 578 . 10 1 1 A 53 53 ASN H H 62 9.040 8.047 0.993 1
1 579 . 10 1 1 A 53 53 ASN HA H 62 4.419 4.443 -0.024 1
1 584 . 10 1 1 A 53 53 ASN CA C 62 53.789 54.083 -0.294 1
1 585 . 10 1 1 A 53 53 ASN CB C 62 37.922 36.232 1.690 1
1 586 . 10 1 1 A 53 53 ASN N N 62 117.185 117.310 -0.125 1
1 588 . 10 1 1 A 54 54 GLN H H 63 7.512 7.384 0.128 1
1 589 . 10 1 1 A 54 54 GLN HA H 63 4.584 4.597 -0.013 1
1 596 . 10 1 1 A 54 54 GLN CA C 63 55.008 54.200 0.808 1
1 597 . 10 1 1 A 54 54 GLN CB C 63 34.938 31.105 3.833 1
1 599 . 10 1 1 A 54 54 GLN N N 63 116.341 118.207 -1.866 1
1 601 . 10 1 1 A 55 55 HIS H H 64 7.782 8.013 -0.231 1
1 602 . 10 1 1 A 55 55 HIS HA H 64 5.796 5.716 0.080 1
1 606 . 10 1 1 A 55 55 HIS CA C 64 53.059 53.323 -0.264 1
1 607 . 10 1 1 A 55 55 HIS CB C 64 34.378 33.308 1.070 1
1 609 . 10 1 1 A 55 55 HIS N N 64 118.403 117.610 0.793 1
1 610 . 10 1 1 A 56 56 TYR H H 65 8.657 8.636 0.021 1
1 611 . 10 1 1 A 56 56 TYR HA H 65 4.404 4.859 -0.455 1
1 618 . 10 1 1 A 56 56 TYR CA C 65 57.430 56.238 1.192 1
1 619 . 10 1 1 A 56 56 TYR CB C 65 42.958 41.629 1.329 1
1 622 . 10 1 1 A 56 56 TYR N N 65 116.435 119.820 -3.385 1
1 623 . 10 1 1 A 57 57 ASP H H 66 8.772 9.036 -0.264 1
1 624 . 10 1 1 A 57 57 ASP HA H 66 5.283 5.580 -0.297 1
1 627 . 10 1 1 A 57 57 ASP CA C 66 54.250 52.611 1.639 1
1 628 . 10 1 1 A 57 57 ASP CB C 66 40.914 41.715 -0.801 1
1 629 . 10 1 1 A 57 57 ASP N N 66 124.776 123.021 1.755 1
1 630 . 10 1 1 A 58 58 LEU H H 67 9.175 8.452 0.723 1
1 631 . 10 1 1 A 58 58 LEU HA H 67 4.589 4.613 -0.024 1
1 641 . 10 1 1 A 58 58 LEU CA C 67 53.131 53.713 -0.582 1
1 642 . 10 1 1 A 58 58 LEU CB C 67 45.060 42.082 2.978 1
1 645 . 10 1 1 A 58 58 LEU N N 67 124.558 125.659 -1.101 1
1 646 . 10 1 1 A 59 59 TYR H H 68 8.877 8.636 0.241 1
1 647 . 10 1 1 A 59 59 TYR HA H 68 5.096 5.761 -0.665 1
1 654 . 10 1 1 A 59 59 TYR CA C 68 57.606 56.195 1.411 1
1 655 . 10 1 1 A 59 59 TYR CB C 68 39.422 41.952 -2.530 1
1 658 . 10 1 1 A 59 59 TYR N N 68 121.215 117.264 3.951 1
1 659 . 10 1 1 A 60 60 ILE H H 69 9.162 9.020 0.142 1
1 660 . 10 1 1 A 60 60 ILE HA H 69 4.551 4.668 -0.117 1
1 670 . 10 1 1 A 60 60 ILE CA C 69 59.471 60.014 -0.543 1
1 671 . 10 1 1 A 60 60 ILE CB C 69 40.500 40.182 0.318 1
1 675 . 10 1 1 A 60 60 ILE N N 69 124.823 121.904 2.919 1
1 676 . 10 1 1 A 61 61 GLY H H 70 9.960 8.816 1.144 1
1 677 . 10 1 1 A 61 61 GLY HA2 H 70 4.517 4.108 0.409 1
1 678 . 10 1 1 A 61 61 GLY HA3 H 70 3.881 4.109 -0.228 1
1 679 . 10 1 1 A 61 61 GLY CA C 70 44.083 44.524 -0.441 1
1 680 . 10 1 1 A 61 61 GLY N N 70 117.841 115.043 2.798 1
1 681 . 10 1 1 A 62 62 LYS H H 71 8.605 8.810 -0.205 1
1 682 . 10 1 1 A 62 62 LYS HA H 71 4.090 4.122 -0.032 1
1 687 . 10 1 1 A 62 62 LYS CA C 71 59.447 59.358 0.089 1
1 688 . 10 1 1 A 62 62 LYS CB C 71 33.453 32.068 1.385 1
1 692 . 10 1 1 A 62 62 LYS N N 71 119.434 119.523 -0.089 1
1 693 . 10 1 1 A 63 63 SER H H 72 8.544 7.654 0.890 1
1 694 . 10 1 1 A 63 63 SER HA H 72 4.811 4.635 0.176 1
1 696 . 10 1 1 A 63 63 SER CA C 72 57.606 56.952 0.654 1
1 697 . 10 1 1 A 63 63 SER CB C 72 64.013 63.481 0.532 1
1 698 . 10 1 1 A 63 63 SER N N 72 111.842 110.304 1.538 1
1 699 . 10 1 1 A 64 64 ASP H H 73 7.247 7.413 -0.166 1
1 700 . 10 1 1 A 64 64 ASP HA H 73 4.867 4.946 -0.079 1
1 702 . 10 1 1 A 64 64 ASP CA C 73 55.500 53.422 2.078 1
1 703 . 10 1 1 A 64 64 ASP CB C 73 43.331 42.425 0.906 1
1 704 . 10 1 1 A 64 64 ASP N N 73 121.964 123.277 -1.313 1
1 705 . 10 1 1 A 65 65 SER H H 74 8.742 8.866 -0.124 1
1 706 . 10 1 1 A 65 65 SER HA H 74 5.074 5.268 -0.194 1
1 708 . 10 1 1 A 65 65 SER CA C 74 56.301 56.912 -0.611 1
1 709 . 10 1 1 A 65 65 SER CB C 74 67.579 66.640 0.939 1
1 710 . 10 1 1 A 65 65 SER N N 74 111.936 115.847 -3.911 1
1 711 . 10 1 1 A 66 66 VAL H H 75 8.622 8.341 0.281 1
1 712 . 10 1 1 A 66 66 VAL HA H 75 5.095 4.908 0.187 1
1 720 . 10 1 1 A 66 66 VAL CA C 75 60.217 60.553 -0.336 1
1 721 . 10 1 1 A 66 66 VAL CB C 75 36.617 35.086 1.531 1
1 724 . 10 1 1 A 66 66 VAL N N 75 119.422 121.322 -1.900 1
1 725 . 10 1 1 A 67 67 THR H H 76 9.152 8.899 0.253 1
1 726 . 10 1 1 A 67 67 THR HA H 76 5.199 4.957 0.242 1
1 731 . 10 1 1 A 67 67 THR CA C 76 63.014 61.806 1.208 1
1 732 . 10 1 1 A 67 67 THR CB C 76 69.703 70.820 -1.117 1
1 734 . 10 1 1 A 67 67 THR N N 76 123.839 123.082 0.757 1
1 735 . 10 1 1 A 68 68 ILE H H 77 9.106 8.887 0.219 1
1 736 . 10 1 1 A 68 68 ILE HA H 77 5.389 4.748 0.641 1
1 746 . 10 1 1 A 68 68 ILE CA C 77 59.844 60.477 -0.633 1
1 747 . 10 1 1 A 68 68 ILE CB C 77 40.347 38.713 1.634 1
1 751 . 10 1 1 A 68 68 ILE N N 77 129.275 129.184 0.091 1
1 752 . 10 1 1 A 69 69 SER H H 78 9.645 8.795 0.850 1
1 753 . 10 1 1 A 69 69 SER HA H 78 5.265 5.223 0.042 1
1 756 . 10 1 1 A 69 69 SER CA C 78 56.114 57.147 -1.033 1
1 757 . 10 1 1 A 69 69 SER CB C 78 66.087 66.454 -0.367 1
1 758 . 10 1 1 A 69 69 SER N N 78 120.559 123.597 -3.038 1
1 759 . 10 1 1 A 70 70 VAL H H 79 8.482 8.281 0.201 1
1 760 . 10 1 1 A 70 70 VAL HA H 79 4.676 4.743 -0.067 1
1 768 . 10 1 1 A 70 70 VAL CA C 79 60.852 60.866 -0.014 1
1 769 . 10 1 1 A 70 70 VAL CB C 79 32.992 34.470 -1.478 1
1 772 . 10 1 1 A 70 70 VAL N N 79 121.777 121.600 0.177 1
1 773 . 10 1 1 A 71 71 TRP H H 80 8.627 8.561 0.066 1
1 774 . 10 1 1 A 71 71 TRP HA H 80 4.930 5.104 -0.174 1
1 783 . 10 1 1 A 71 71 TRP CA C 80 55.182 55.036 0.146 1
1 784 . 10 1 1 A 71 71 TRP CB C 80 34.058 32.218 1.840 1
1 790 . 10 1 1 A 71 71 TRP N N 80 124.474 126.540 -2.066 1
1 792 . 10 1 1 A 72 72 ASN H H 81 9.891 9.027 0.864 1
1 793 . 10 1 1 A 72 72 ASN HA H 81 4.789 5.002 -0.213 1
1 798 . 10 1 1 A 72 72 ASN CA C 81 51.049 51.719 -0.670 1
1 799 . 10 1 1 A 72 72 ASN CB C 81 39.091 38.262 0.829 1
1 800 . 10 1 1 A 72 72 ASN N N 81 116.435 122.103 -5.668 1
1 802 . 10 1 1 A 73 73 HIS H H 82 9.967 9.215 0.752 1
1 803 . 10 1 1 A 73 73 HIS HA H 82 4.499 4.378 0.121 1
1 806 . 10 1 1 A 73 73 HIS CA C 82 60.788 60.637 0.151 1
1 807 . 10 1 1 A 73 73 HIS CB C 82 32.327 30.815 1.512 1
1 808 . 10 1 1 A 73 73 HIS N N 82 127.963 126.162 1.801 1
1 809 . 10 1 1 A 74 74 LYS H H 83 7.764 8.292 -0.528 1
1 810 . 10 1 1 A 74 74 LYS HA H 83 4.297 3.782 0.515 1
1 817 . 10 1 1 A 74 74 LYS CA C 83 59.232 59.834 -0.602 1
1 818 . 10 1 1 A 74 74 LYS CB C 83 33.640 32.242 1.398 1
1 822 . 10 1 1 A 74 74 LYS N N 83 112.592 118.206 -5.614 1
1 823 . 10 1 1 A 75 75 LYS H H 84 7.626 7.705 -0.079 1
1 824 . 10 1 1 A 75 75 LYS HA H 84 4.607 4.222 0.385 1
1 832 . 10 1 1 A 75 75 LYS CA C 84 55.828 59.003 -3.175 1
1 833 . 10 1 1 A 75 75 LYS CB C 84 36.064 32.104 3.960 1
1 837 . 10 1 1 A 75 75 LYS N N 84 114.560 117.603 -3.043 1
1 838 . 10 1 1 A 76 76 ILE H H 85 7.021 8.212 -1.191 1
1 839 . 10 1 1 A 76 76 ILE HA H 85 4.132 3.969 0.163 1
1 849 . 10 1 1 A 76 76 ILE CA C 85 64.013 64.507 -0.494 1
1 850 . 10 1 1 A 76 76 ILE CB C 85 39.146 37.564 1.582 1
1 854 . 10 1 1 A 76 76 ILE N N 85 113.811 117.295 -3.484 1
1 855 . 10 1 1 A 77 77 HIS H H 86 8.335 7.448 0.887 1
1 856 . 10 1 1 A 77 77 HIS HA H 86 4.612 4.333 0.279 1
1 859 . 10 1 1 A 77 77 HIS CA C 86 56.815 60.053 -3.238 1
1 860 . 10 1 1 A 77 77 HIS CB C 86 30.461 29.868 0.593 1
1 862 . 10 1 1 A 77 77 HIS N N 86 117.841 120.831 -2.990 1
1 863 . 10 1 1 A 78 78 LYS H H 87 7.587 7.814 -0.227 1
1 864 . 10 1 1 A 78 78 LYS HA H 87 4.094 3.989 0.105 1
1 870 . 10 1 1 A 78 78 LYS CA C 87 57.628 58.895 -1.267 1
1 871 . 10 1 1 A 78 78 LYS CB C 87 32.893 33.376 -0.483 1
1 875 . 10 1 1 A 78 78 LYS N N 87 120.652 121.225 -0.573 1
1 876 . 10 1 1 A 79 79 LYS H H 88 7.585 7.653 -0.068 1
1 877 . 10 1 1 A 79 79 LYS HA H 88 4.304 4.383 -0.079 1
1 883 . 10 1 1 A 79 79 LYS CA C 88 56.467 58.481 -2.014 1
1 884 . 10 1 1 A 79 79 LYS CB C 88 34.013 31.221 2.792 1
1 888 . 10 1 1 A 79 79 LYS N N 88 115.872 118.240 -2.368 1
1 889 . 10 1 1 A 80 80 GLN H H 89 8.625 8.759 -0.134 1
1 890 . 10 1 1 A 80 80 GLN HA H 89 4.192 4.087 0.105 1
1 893 . 10 1 1 A 80 80 GLN CA C 89 57.590 57.977 -0.387 1
1 894 . 10 1 1 A 80 80 GLN CB C 89 28.331 27.374 0.957 1
1 896 . 10 1 1 A 80 80 GLN N N 89 121.308 118.000 3.308 1
1 897 . 10 1 1 A 81 81 GLY H H 90 8.791 8.829 -0.038 1
1 898 . 10 1 1 A 81 81 GLY HA2 H 90 4.332 3.886 0.446 1
1 899 . 10 1 1 A 81 81 GLY HA3 H 90 3.850 3.904 -0.054 1
1 900 . 10 1 1 A 81 81 GLY CA C 90 45.950 47.041 -1.091 1
1 901 . 10 1 1 A 81 81 GLY N N 90 112.984 110.719 2.265 1
1 902 . 10 1 1 A 82 82 ALA H H 91 7.951 7.688 0.263 1
1 903 . 10 1 1 A 82 82 ALA HA H 91 4.485 4.133 0.352 1
1 907 . 10 1 1 A 82 82 ALA CA C 91 53.404 53.948 -0.544 1
1 908 . 10 1 1 A 82 82 ALA CB C 91 20.762 18.572 2.190 1
1 909 . 10 1 1 A 82 82 ALA N N 91 123.745 122.763 0.982 1
1 910 . 10 1 1 A 83 83 GLY H H 92 8.860 8.925 -0.065 1
1 911 . 10 1 1 A 83 83 GLY HA2 H 92 4.270 4.243 0.027 1
1 912 . 10 1 1 A 83 83 GLY HA3 H 92 4.262 4.296 -0.034 1
1 913 . 10 1 1 A 83 83 GLY CA C 92 46.689 45.474 1.215 1
1 914 . 10 1 1 A 83 83 GLY N N 92 105.564 111.106 -5.542 1
1 915 . 10 1 1 A 84 84 PHE H H 93 8.113 7.990 0.123 1
1 916 . 10 1 1 A 84 84 PHE HA H 93 3.440 4.497 -1.057 1
1 924 . 10 1 1 A 84 84 PHE CA C 93 59.932 56.438 3.494 1
1 925 . 10 1 1 A 84 84 PHE CB C 93 39.141 42.116 -2.975 1
1 929 . 10 1 1 A 84 84 PHE N N 93 121.215 120.246 0.969 1
1 930 . 10 1 1 A 85 85 LEU H H 94 8.204 7.490 0.714 1
1 931 . 10 1 1 A 85 85 LEU HA H 94 4.334 4.334 0.000 1
1 938 . 10 1 1 A 85 85 LEU CA C 94 53.569 55.331 -1.762 1
1 939 . 10 1 1 A 85 85 LEU CB C 94 43.255 43.500 -0.245 1
1 942 . 10 1 1 A 85 85 LEU N N 94 125.432 125.871 -0.439 1
1 943 . 10 1 1 A 86 86 GLY HA2 H 95 4.222 3.770 0.452 1
1 944 . 10 1 1 A 86 86 GLY HA3 H 95 3.147 3.827 -0.680 1
1 945 . 10 1 1 A 86 86 GLY CA C 95 45.570 45.460 0.110 1
1 946 . 10 1 1 A 87 87 CYS H H 96 9.230 9.092 0.138 1
1 947 . 10 1 1 A 87 87 CYS HA H 96 5.838 5.427 0.411 1
1 949 . 10 1 1 A 87 87 CYS CA C 96 55.882 57.519 -1.637 1
1 950 . 10 1 1 A 87 87 CYS CB C 96 33.259 29.537 3.722 1
1 951 . 10 1 1 A 87 87 CYS N N 96 114.935 121.293 -6.358 1
1 952 . 10 1 1 A 88 88 VAL H H 97 9.242 9.023 0.219 1
1 953 . 10 1 1 A 88 88 VAL HA H 97 4.575 4.800 -0.225 1
1 961 . 10 1 1 A 88 88 VAL CA C 97 61.769 60.196 1.573 1
1 962 . 10 1 1 A 88 88 VAL CB C 97 35.684 33.937 1.747 1
1 965 . 10 1 1 A 88 88 VAL N N 97 115.966 125.805 -9.839 1
1 966 . 10 1 1 A 89 89 ARG H H 98 8.665 9.164 -0.499 1
1 967 . 10 1 1 A 89 89 ARG HA H 98 5.166 5.196 -0.030 1
1 973 . 10 1 1 A 89 89 ARG CA C 98 54.929 54.405 0.524 1
1 974 . 10 1 1 A 89 89 ARG CB C 98 31.961 33.563 -1.602 1
1 977 . 10 1 1 A 89 89 ARG N N 98 125.526 129.921 -4.395 1
1 978 . 10 1 1 A 90 90 LEU H H 99 9.611 8.597 1.014 1
1 979 . 10 1 1 A 90 90 LEU HA H 99 4.644 5.151 -0.507 1
1 989 . 10 1 1 A 90 90 LEU CA C 99 53.217 52.921 0.296 1
1 990 . 10 1 1 A 90 90 LEU CB C 99 43.339 45.070 -1.731 1
1 994 . 10 1 1 A 90 90 LEU N N 99 127.119 126.999 0.120 1
1 995 . 10 1 1 A 91 91 LEU H H 100 7.953 8.599 -0.646 1
1 996 . 10 1 1 A 91 91 LEU HA H 100 4.540 4.671 -0.131 1
1 1005 . 10 1 1 A 91 91 LEU CA C 100 54.523 53.879 0.644 1
1 1006 . 10 1 1 A 91 91 LEU CB C 100 42.593 42.355 0.238 1
1 1010 . 10 1 1 A 91 91 LEU N N 100 122.527 125.311 -2.784 1
1 1011 . 10 1 1 A 92 92 SER H H 101 8.754 8.935 -0.181 1
1 1012 . 10 1 1 A 92 92 SER HA H 101 3.950 4.134 -0.184 1
1 1013 . 10 1 1 A 92 92 SER CA C 101 63.171 61.608 1.563 1
1 1014 . 10 1 1 A 92 92 SER N N 101 115.966 117.513 -1.547 1
1 1015 . 10 1 1 A 93 93 ASN H H 102 7.765 8.663 -0.898 1
1 1016 . 10 1 1 A 93 93 ASN HA H 102 4.500 4.426 0.074 1
1 1020 . 10 1 1 A 93 93 ASN CA C 102 56.487 56.111 0.376 1
1 1021 . 10 1 1 A 93 93 ASN CB C 102 37.514 37.533 -0.019 1
1 1022 . 10 1 1 A 93 93 ASN N N 102 116.950 117.726 -0.776 1
1 1024 . 10 1 1 A 94 94 ALA H H 103 7.345 7.693 -0.348 1
1 1025 . 10 1 1 A 94 94 ALA HA H 103 4.230 4.107 0.123 1
1 1029 . 10 1 1 A 94 94 ALA CA C 103 54.843 55.001 -0.158 1
1 1030 . 10 1 1 A 94 94 ALA CB C 103 19.643 18.616 1.027 1
1 1031 . 10 1 1 A 94 94 ALA N N 103 124.495 121.967 2.528 1
1 1032 . 10 1 1 A 95 95 ILE H H 104 8.322 8.094 0.228 1
1 1033 . 10 1 1 A 95 95 ILE HA H 104 3.280 3.567 -0.287 1
1 1043 . 10 1 1 A 95 95 ILE CA C 104 66.184 65.004 1.180 1
1 1044 . 10 1 1 A 95 95 ILE CB C 104 37.922 37.580 0.342 1
1 1048 . 10 1 1 A 95 95 ILE N N 104 119.310 119.619 -0.309 1
1 1049 . 10 1 1 A 96 96 ASN H H 105 7.815 7.726 0.089 1
1 1050 . 10 1 1 A 96 96 ASN HA H 105 4.332 4.470 -0.138 1
1 1052 . 10 1 1 A 96 96 ASN CA C 105 56.487 56.018 0.469 1
1 1053 . 10 1 1 A 96 96 ASN CB C 105 38.855 38.071 0.784 1
1 1054 . 10 1 1 A 96 96 ASN N N 105 114.748 118.580 -3.832 1
1 1055 . 10 1 1 A 97 97 ARG H H 106 7.595 7.764 -0.169 1
1 1056 . 10 1 1 A 97 97 ARG HA H 106 4.257 4.091 0.166 1
1 1061 . 10 1 1 A 97 97 ARG CA C 106 58.294 58.845 -0.551 1
1 1062 . 10 1 1 A 97 97 ARG CB C 106 31.401 29.684 1.717 1
1 1065 . 10 1 1 A 97 97 ARG N N 106 117.934 119.274 -1.340 1
1 1066 . 10 1 1 A 98 98 LEU H H 107 8.179 8.455 -0.276 1
1 1067 . 10 1 1 A 98 98 LEU HA H 107 4.288 4.813 -0.525 1
1 1077 . 10 1 1 A 98 98 LEU CA C 107 55.735 57.461 -1.726 1
1 1078 . 10 1 1 A 98 98 LEU CB C 107 44.264 41.081 3.183 1
1 1082 . 10 1 1 A 98 98 LEU N N 107 116.341 119.405 -3.064 1
1 1083 . 10 1 1 A 99 99 LYS H H 108 8.058 8.678 -0.620 1
1 1084 . 10 1 1 A 99 99 LYS HA H 108 4.078 4.048 0.030 1
1 1091 . 10 1 1 A 99 99 LYS CA C 108 58.256 59.054 -0.798 1
1 1092 . 10 1 1 A 99 99 LYS CB C 108 32.520 32.073 0.447 1
1 1096 . 10 1 1 A 99 99 LYS N N 108 123.558 117.946 5.612 1
1 1097 . 10 1 1 A 100 100 ASP H H 109 9.305 7.458 1.847 1
1 1098 . 10 1 1 A 100 100 ASP HA H 109 4.672 4.517 0.155 1
1 1101 . 10 1 1 A 100 100 ASP CA C 109 57.047 56.274 0.773 1
1 1102 . 10 1 1 A 100 100 ASP CB C 109 39.041 40.881 -1.840 1
1 1103 . 10 1 1 A 100 100 ASP N N 109 115.779 119.854 -4.075 1
1 1104 . 10 1 1 A 101 101 THR H H 110 7.546 7.617 -0.071 1
1 1105 . 10 1 1 A 101 101 THR HA H 110 4.675 4.166 0.509 1
1 1110 . 10 1 1 A 101 101 THR CA C 110 61.895 63.688 -1.793 1
1 1111 . 10 1 1 A 101 101 THR CB C 110 70.432 69.791 0.641 1
1 1113 . 10 1 1 A 101 101 THR N N 110 129.087 108.894 20.193 1
1 1114 . 10 1 1 A 102 102 GLY H H 111 8.921 7.845 1.076 1
1 1115 . 10 1 1 A 102 102 GLY HA2 H 111 4.337 4.019 0.318 1
1 1116 . 10 1 1 A 102 102 GLY HA3 H 111 3.563 4.116 -0.553 1
1 1117 . 10 1 1 A 102 102 GLY CA C 111 44.062 44.639 -0.577 1
1 1118 . 10 1 1 A 102 102 GLY N N 111 112.780 110.082 2.698 1
1 1119 . 10 1 1 A 103 103 TYR H H 112 8.255 8.279 -0.024 1
1 1120 . 10 1 1 A 103 103 TYR HA H 112 4.574 4.825 -0.251 1
1 1127 . 10 1 1 A 103 103 TYR CA C 112 59.745 58.004 1.741 1
1 1128 . 10 1 1 A 103 103 TYR CB C 112 38.295 36.884 1.411 1
1 1131 . 10 1 1 A 103 103 TYR N N 112 117.653 120.636 -2.983 1
1 1132 . 10 1 1 A 104 104 GLN H H 113 9.435 8.660 0.775 1
1 1133 . 10 1 1 A 104 104 GLN HA H 113 4.659 4.966 -0.307 1
1 1140 . 10 1 1 A 104 104 GLN CA C 113 53.852 54.441 -0.589 1
1 1141 . 10 1 1 A 104 104 GLN CB C 113 31.128 31.374 -0.246 1
1 1143 . 10 1 1 A 104 104 GLN N N 113 121.964 120.516 1.448 1
1 1145 . 10 1 1 A 105 105 ARG H H 114 8.670 8.956 -0.286 1
1 1146 . 10 1 1 A 105 105 ARG HA H 114 4.838 5.220 -0.382 1
1 1151 . 10 1 1 A 105 105 ARG CA C 114 55.090 54.962 0.128 1
1 1152 . 10 1 1 A 105 105 ARG CB C 114 31.401 32.134 -0.733 1
1 1155 . 10 1 1 A 105 105 ARG N N 114 122.246 123.149 -0.903 1
1 1156 . 10 1 1 A 106 106 LEU H H 115 9.269 9.091 0.178 1
1 1157 . 10 1 1 A 106 106 LEU HA H 115 4.843 4.924 -0.081 1
1 1163 . 10 1 1 A 106 106 LEU CA C 115 53.317 53.438 -0.121 1
1 1164 . 10 1 1 A 106 106 LEU CB C 115 44.570 43.580 0.990 1
1 1166 . 10 1 1 A 106 106 LEU N N 115 126.088 125.688 0.400 1
1 1167 . 10 1 1 A 107 107 ASP H H 116 8.582 8.841 -0.259 1
1 1168 . 10 1 1 A 107 107 ASP HA H 116 4.748 4.593 0.155 1
1 1171 . 10 1 1 A 107 107 ASP CA C 116 55.402 54.529 0.873 1
1 1172 . 10 1 1 A 107 107 ASP CB C 116 41.280 41.178 0.102 1
1 1173 . 10 1 1 A 107 107 ASP N N 116 122.714 125.239 -2.525 1
1 1174 . 10 1 1 A 108 108 LEU H H 117 8.067 8.750 -0.683 1
1 1175 . 10 1 1 A 108 108 LEU HA H 117 4.195 4.750 -0.555 1
1 1185 . 10 1 1 A 108 108 LEU CA C 117 55.308 54.070 1.238 1
1 1186 . 10 1 1 A 108 108 LEU CB C 117 42.871 41.549 1.322 1
1 1190 . 10 1 1 A 108 108 LEU N N 117 121.121 124.328 -3.207 1
1 1191 . 10 1 1 A 109 109 CYS H H 118 9.705 8.743 0.962 1
1 1192 . 10 1 1 A 109 109 CYS HA H 118 4.839 5.231 -0.392 1
1 1195 . 10 1 1 A 109 109 CYS CA C 118 57.979 57.697 0.282 1
1 1196 . 10 1 1 A 109 109 CYS CB C 118 31.953 32.736 -0.783 1
1 1197 . 10 1 1 A 109 109 CYS N N 118 118.403 123.207 -4.804 1
1 1198 . 10 1 1 A 110 110 LYS H H 119 8.419 8.369 0.050 1
1 1199 . 10 1 1 A 110 110 LYS HA H 119 4.426 4.548 -0.122 1
1 1207 . 10 1 1 A 110 110 LYS CA C 119 56.957 56.574 0.383 1
1 1208 . 10 1 1 A 110 110 LYS CB C 119 34.386 33.149 1.237 1
1 1212 . 10 1 1 A 110 110 LYS N N 119 120.090 121.165 -1.075 1
1 1213 . 10 1 1 A 111 111 LEU H H 120 9.016 8.317 0.699 1
1 1214 . 10 1 1 A 111 111 LEU HA H 120 4.054 3.914 0.140 1
1 1223 . 10 1 1 A 111 111 LEU CA C 120 57.694 56.720 0.974 1
1 1224 . 10 1 1 A 111 111 LEU CB C 120 43.062 42.144 0.918 1
1 1227 . 10 1 1 A 111 111 LEU N N 120 123.089 121.040 2.049 1
1 1228 . 10 1 1 A 112 112 GLY H H 121 7.578 7.160 0.418 1
1 1229 . 10 1 1 A 112 112 GLY HA2 H 121 4.320 4.032 0.288 1
1 1230 . 10 1 1 A 112 112 GLY HA3 H 121 3.863 4.043 -0.180 1
1 1231 . 10 1 1 A 112 112 GLY CA C 121 44.644 45.244 -0.600 1
1 1232 . 10 1 1 A 112 112 GLY N N 121 105.939 104.300 1.639 1
1 1233 . 10 1 1 A 113 113 PRO HA H 122 4.365 4.284 0.081 1
1 1240 . 10 1 1 A 113 113 PRO CA C 122 64.692 64.910 -0.218 1
1 1241 . 10 1 1 A 113 113 PRO CB C 122 32.663 31.785 0.878 1
1 1244 . 10 1 1 A 114 114 ASN H H 123 8.603 8.790 -0.187 1
1 1245 . 10 1 1 A 114 114 ASN HA H 123 4.899 4.590 0.309 1
1 1250 . 10 1 1 A 114 114 ASN CA C 123 52.944 54.179 -1.235 1
1 1251 . 10 1 1 A 114 114 ASN CB C 123 39.041 38.352 0.689 1
1 1252 . 10 1 1 A 114 114 ASN N N 123 115.591 115.763 -0.172 1
1 1254 . 10 1 1 A 115 115 ASP H H 124 7.507 7.670 -0.163 1
1 1255 . 10 1 1 A 115 115 ASP HA H 124 4.507 4.946 -0.439 1
1 1258 . 10 1 1 A 115 115 ASP CA C 124 54.843 52.728 2.115 1
1 1259 . 10 1 1 A 115 115 ASP CB C 124 41.620 43.323 -1.703 1
1 1260 . 10 1 1 A 115 115 ASP N N 124 121.215 117.772 3.443 1
1 1261 . 10 1 1 A 116 116 ASN H H 125 8.741 8.550 0.191 1
1 1262 . 10 1 1 A 116 116 ASN HA H 125 4.823 4.607 0.216 1
1 1267 . 10 1 1 A 116 116 ASN CA C 125 53.447 53.467 -0.020 1
1 1268 . 10 1 1 A 116 116 ASN CB C 125 43.830 38.681 5.149 1
1 1269 . 10 1 1 A 116 116 ASN N N 125 120.137 119.781 0.356 1
1 1271 . 10 1 1 A 117 117 ASP H H 126 8.039 8.729 -0.690 1
1 1272 . 10 1 1 A 117 117 ASP HA H 126 4.745 4.903 -0.158 1
1 1274 . 10 1 1 A 117 117 ASP CA C 126 54.436 53.665 0.771 1
1 1275 . 10 1 1 A 117 117 ASP CB C 126 42.046 40.187 1.859 1
1 1276 . 10 1 1 A 117 117 ASP N N 126 120.746 123.577 -2.831 1
1 1277 . 10 1 1 A 118 118 THR H H 127 8.361 8.236 0.125 1
1 1278 . 10 1 1 A 118 118 THR HA H 127 4.331 4.706 -0.375 1
1 1283 . 10 1 1 A 118 118 THR CA C 127 62.454 60.224 2.230 1
1 1284 . 10 1 1 A 118 118 THR CB C 127 70.191 68.741 1.450 1
1 1286 . 10 1 1 A 118 118 THR N N 127 116.903 112.857 4.046 1
1 1287 . 10 1 1 A 119 119 VAL H H 128 8.152 7.828 0.324 1
1 1288 . 10 1 1 A 119 119 VAL HA H 128 4.172 5.047 -0.875 1
1 1296 . 10 1 1 A 119 119 VAL CA C 128 61.051 59.614 1.437 1
1 1297 . 10 1 1 A 119 119 VAL CB C 128 35.124 35.505 -0.381 1
1 1300 . 10 1 1 A 119 119 VAL N N 128 119.903 118.938 0.965 1
1 1301 . 10 1 1 A 120 120 ARG H H 129 7.884 8.700 -0.816 1
1 1302 . 10 1 1 A 120 120 ARG HA H 129 4.719 4.577 0.142 1
1 1307 . 10 1 1 A 120 120 ARG CA C 129 55.555 55.666 -0.111 1
1 1308 . 10 1 1 A 120 120 ARG CB C 129 34.945 32.401 2.544 1
1 1311 . 10 1 1 A 120 120 ARG N N 129 122.621 121.906 0.715 1
1 1312 . 10 1 1 A 121 121 GLY H H 130 8.289 7.625 0.664 1
1 1313 . 10 1 1 A 121 121 GLY HA2 H 130 4.605 4.017 0.588 1
1 1314 . 10 1 1 A 121 121 GLY HA3 H 130 3.803 4.024 -0.221 1
1 1315 . 10 1 1 A 121 121 GLY CA C 130 45.756 44.572 1.184 1
1 1316 . 10 1 1 A 121 121 GLY N N 130 107.626 109.276 -1.650 1
1 1317 . 10 1 1 A 122 122 GLN H H 131 8.408 8.721 -0.313 1
1 1318 . 10 1 1 A 122 122 GLN HA H 131 5.434 5.223 0.211 1
1 1323 . 10 1 1 A 122 122 GLN CA C 131 54.809 54.131 0.678 1
1 1324 . 10 1 1 A 122 122 GLN CB C 131 34.756 33.336 1.420 1
1 1326 . 10 1 1 A 122 122 GLN N N 131 114.654 118.636 -3.982 1
1 1328 . 10 1 1 A 123 123 ILE H H 132 9.273 8.517 0.756 1
1 1329 . 10 1 1 A 123 123 ILE HA H 132 5.207 4.729 0.478 1
1 1339 . 10 1 1 A 123 123 ILE CA C 132 59.284 60.030 -0.746 1
1 1340 . 10 1 1 A 123 123 ILE CB C 132 44.085 41.876 2.209 1
1 1344 . 10 1 1 A 123 123 ILE N N 132 118.216 121.068 -2.852 1
1 1345 . 10 1 1 A 124 124 VAL H H 133 8.750 9.122 -0.372 1
1 1346 . 10 1 1 A 124 124 VAL HA H 133 5.338 4.798 0.540 1
1 1354 . 10 1 1 A 124 124 VAL CA C 133 61.611 61.495 0.116 1
1 1355 . 10 1 1 A 124 124 VAL CB C 133 32.620 32.725 -0.105 1
1 1358 . 10 1 1 A 124 124 VAL N N 133 126.088 128.903 -2.815 1
1 1359 . 10 1 1 A 125 125 VAL H H 134 8.698 9.015 -0.317 1
1 1360 . 10 1 1 A 125 125 VAL HA H 134 5.859 5.489 0.370 1
1 1368 . 10 1 1 A 125 125 VAL CA C 134 57.880 59.455 -1.575 1
1 1369 . 10 1 1 A 125 125 VAL CB C 134 36.990 35.817 1.173 1
1 1372 . 10 1 1 A 125 125 VAL N N 134 117.895 121.441 -3.546 1
1 1373 . 10 1 1 A 126 126 SER H H 135 8.746 8.682 0.064 1
1 1374 . 10 1 1 A 126 126 SER HA H 135 4.881 5.138 -0.257 1
1 1377 . 10 1 1 A 126 126 SER CA C 135 56.860 56.523 0.337 1
1 1378 . 10 1 1 A 126 126 SER CB C 135 66.695 64.971 1.724 1
1 1379 . 10 1 1 A 126 126 SER N N 135 112.967 114.040 -1.073 1
1 1380 . 10 1 1 A 127 127 LEU H H 136 9.710 8.850 0.860 1
1 1381 . 10 1 1 A 127 127 LEU HA H 136 5.244 4.997 0.247 1
1 1390 . 10 1 1 A 127 127 LEU CA C 136 54.436 53.362 1.074 1
1 1391 . 10 1 1 A 127 127 LEU CB C 136 46.137 42.733 3.404 1
1 1395 . 10 1 1 A 127 127 LEU N N 136 125.760 125.489 0.271 1
1 1396 . 10 1 1 A 128 128 GLN H H 137 9.256 8.491 0.765 1
1 1397 . 10 1 1 A 128 128 GLN HA H 137 5.128 5.726 -0.598 1
1 1404 . 10 1 1 A 128 128 GLN CA C 137 54.063 54.622 -0.559 1
1 1405 . 10 1 1 A 128 128 GLN CB C 137 34.063 32.480 1.583 1
1 1407 . 10 1 1 A 128 128 GLN N N 137 125.526 125.880 -0.354 1
1 1409 . 10 1 1 A 129 129 SER H H 138 8.222 8.666 -0.444 1
1 1410 . 10 1 1 A 129 129 SER HA H 138 4.476 4.549 -0.073 1
1 1413 . 10 1 1 A 129 129 SER CA C 138 60.814 57.988 2.826 1
1 1414 . 10 1 1 A 129 129 SER CB C 138 63.116 63.778 -0.662 1
1 1415 . 10 1 1 A 129 129 SER N N 138 125.620 119.891 5.729 1
1 1416 . 10 1 1 A 130 130 ARG H H 139 8.032 8.810 -0.778 1
1 1417 . 10 1 1 A 130 130 ARG HA H 139 4.601 4.508 0.093 1
1 1424 . 10 1 1 A 130 130 ARG CA C 139 53.934 55.005 -1.071 1
1 1425 . 10 1 1 A 130 130 ARG CB C 139 32.334 31.941 0.393 1
1 1428 . 10 1 1 A 130 130 ARG N N 139 123.136 124.230 -1.094 1
1 6 . 11 1 1 A 2 2 PRO HA H 11 4.498 4.851 -0.353 1
1 11 . 11 1 1 A 2 2 PRO CA C 11 63.103 62.896 0.207 1
1 12 . 11 1 1 A 2 2 PRO CB C 11 32.993 32.520 0.473 1
1 15 . 11 1 1 A 3 3 VAL H H 12 8.356 8.243 0.113 1
1 16 . 11 1 1 A 3 3 VAL HA H 12 4.370 4.669 -0.299 1
1 24 . 11 1 1 A 3 3 VAL CA C 12 60.982 59.888 1.094 1
1 25 . 11 1 1 A 3 3 VAL CB C 12 34.005 33.647 0.358 1
1 28 . 11 1 1 A 3 3 VAL N N 12 119.528 115.793 3.735 1
1 29 . 11 1 1 A 4 4 LYS H H 13 8.542 8.744 -0.202 1
1 30 . 11 1 1 A 4 4 LYS HA H 13 4.752 4.351 0.401 1
1 38 . 11 1 1 A 4 4 LYS CA C 13 55.339 55.622 -0.283 1
1 39 . 11 1 1 A 4 4 LYS CB C 13 33.640 33.064 0.576 1
1 43 . 11 1 1 A 4 4 LYS N N 13 125.901 124.736 1.165 1
1 44 . 11 1 1 A 5 5 LEU H H 14 8.887 8.849 0.038 1
1 45 . 11 1 1 A 5 5 LEU HA H 14 4.927 5.156 -0.229 1
1 51 . 11 1 1 A 5 5 LEU CA C 14 52.944 53.373 -0.429 1
1 52 . 11 1 1 A 5 5 LEU CB C 14 47.069 44.223 2.846 1
1 54 . 11 1 1 A 5 5 LEU N N 14 126.276 129.122 -2.846 1
1 55 . 11 1 1 A 6 6 ARG H H 15 9.361 8.599 0.762 1
1 56 . 11 1 1 A 6 6 ARG HA H 15 5.205 5.131 0.074 1
1 61 . 11 1 1 A 6 6 ARG CA C 15 55.064 54.584 0.480 1
1 62 . 11 1 1 A 6 6 ARG CB C 15 31.979 32.811 -0.832 1
1 64 . 11 1 1 A 6 6 ARG N N 15 123.745 126.729 -2.984 1
1 65 . 11 1 1 A 7 7 LEU H H 16 9.694 8.733 0.961 1
1 66 . 11 1 1 A 7 7 LEU HA H 16 5.437 5.037 0.400 1
1 73 . 11 1 1 A 7 7 LEU CA C 16 53.777 53.564 0.213 1
1 74 . 11 1 1 A 7 7 LEU CB C 16 45.577 44.321 1.256 1
1 77 . 11 1 1 A 7 7 LEU N N 16 111.467 129.140 -17.673 1
1 78 . 11 1 1 A 8 8 THR H H 17 9.470 9.148 0.322 1
1 79 . 11 1 1 A 8 8 THR HA H 17 4.904 5.019 -0.115 1
1 84 . 11 1 1 A 8 8 THR CA C 17 62.827 62.337 0.490 1
1 85 . 11 1 1 A 8 8 THR CB C 17 69.540 69.427 0.113 1
1 87 . 11 1 1 A 8 8 THR N N 17 124.589 124.518 0.071 1
1 88 . 11 1 1 A 9 9 VAL H H 18 9.339 9.286 0.053 1
1 89 . 11 1 1 A 9 9 VAL HA H 18 4.374 4.248 0.126 1
1 97 . 11 1 1 A 9 9 VAL CA C 18 61.708 63.025 -1.317 1
1 98 . 11 1 1 A 9 9 VAL CB C 18 31.021 30.786 0.235 1
1 101 . 11 1 1 A 9 9 VAL N N 18 127.963 127.975 -0.012 1
1 102 . 11 1 1 A 10 10 LEU H H 19 8.957 8.383 0.574 1
1 103 . 11 1 1 A 10 10 LEU HA H 19 4.334 4.310 0.024 1
1 113 . 11 1 1 A 10 10 LEU CA C 19 59.232 57.690 1.542 1
1 114 . 11 1 1 A 10 10 LEU CB C 19 43.525 42.812 0.713 1
1 118 . 11 1 1 A 10 10 LEU N N 19 127.775 129.333 -1.558 1
1 119 . 11 1 1 A 11 11 CYS H H 20 8.038 7.567 0.471 1
1 120 . 11 1 1 A 11 11 CYS HA H 20 5.152 4.632 0.520 1
1 123 . 11 1 1 A 11 11 CYS CA C 20 55.928 57.153 -1.225 1
1 124 . 11 1 1 A 11 11 CYS CB C 20 30.655 30.131 0.524 1
1 125 . 11 1 1 A 11 11 CYS N N 20 109.968 113.044 -3.076 1
1 126 . 11 1 1 A 12 12 ALA H H 21 8.485 8.307 0.178 1
1 127 . 11 1 1 A 12 12 ALA HA H 21 5.397 5.356 0.041 1
1 131 . 11 1 1 A 12 12 ALA CA C 21 50.707 50.440 0.267 1
1 132 . 11 1 1 A 12 12 ALA CB C 21 22.550 23.318 -0.768 1
1 133 . 11 1 1 A 12 12 ALA N N 21 119.247 123.563 -4.316 1
1 134 . 11 1 1 A 13 13 LYS H H 22 8.905 8.774 0.131 1
1 135 . 11 1 1 A 13 13 LYS HA H 22 5.144 4.694 0.450 1
1 141 . 11 1 1 A 13 13 LYS CA C 22 54.063 54.662 -0.599 1
1 142 . 11 1 1 A 13 13 LYS CB C 22 37.217 35.527 1.690 1
1 146 . 11 1 1 A 13 13 LYS N N 22 117.934 119.920 -1.986 1
1 147 . 11 1 1 A 14 14 ASN H H 23 9.099 8.882 0.217 1
1 148 . 11 1 1 A 14 14 ASN HA H 23 4.187 4.257 -0.070 1
1 153 . 11 1 1 A 14 14 ASN CA C 23 53.735 53.844 -0.109 1
1 154 . 11 1 1 A 14 14 ASN CB C 23 37.736 36.995 0.741 1
1 155 . 11 1 1 A 14 14 ASN N N 23 118.684 118.204 0.480 1
1 157 . 11 1 1 A 15 15 LEU H H 24 8.294 8.089 0.205 1
1 158 . 11 1 1 A 15 15 LEU HA H 24 5.161 4.291 0.870 1
1 165 . 11 1 1 A 15 15 LEU CA C 24 55.261 54.600 0.661 1
1 166 . 11 1 1 A 15 15 LEU CB C 24 42.966 42.180 0.786 1
1 169 . 11 1 1 A 15 15 LEU N N 24 114.373 120.592 -6.219 1
1 170 . 11 1 1 A 16 16 VAL H H 25 8.533 8.551 -0.018 1
1 171 . 11 1 1 A 16 16 VAL HA H 25 3.635 4.027 -0.392 1
1 179 . 11 1 1 A 16 16 VAL CA C 25 62.318 63.157 -0.839 1
1 180 . 11 1 1 A 16 16 VAL CB C 25 33.064 32.327 0.737 1
1 183 . 11 1 1 A 16 16 VAL N N 25 119.200 125.106 -5.906 1
1 184 . 11 1 1 A 17 17 LYS H H 26 7.950 8.374 -0.424 1
1 185 . 11 1 1 A 17 17 LYS HA H 26 4.302 3.996 0.306 1
1 192 . 11 1 1 A 17 17 LYS CA C 26 54.150 58.407 -4.257 1
1 193 . 11 1 1 A 17 17 LYS CB C 26 33.826 32.093 1.733 1
1 197 . 11 1 1 A 17 17 LYS N N 26 128.056 126.385 1.671 1
1 198 . 11 1 1 A 18 18 LYS H H 27 8.549 7.882 0.667 1
1 199 . 11 1 1 A 18 18 LYS HA H 27 4.078 3.906 0.172 1
1 207 . 11 1 1 A 18 18 LYS CA C 27 58.626 58.772 -0.146 1
1 208 . 11 1 1 A 18 18 LYS CB C 27 33.826 31.077 2.749 1
1 211 . 11 1 1 A 18 18 LYS N N 27 125.760 114.379 11.381 1
1 212 . 11 1 1 A 19 19 ASP H H 28 8.438 8.371 0.067 1
1 213 . 11 1 1 A 19 19 ASP HA H 28 4.801 5.085 -0.284 1
1 216 . 11 1 1 A 19 19 ASP CA C 28 52.964 53.127 -0.163 1
1 217 . 11 1 1 A 19 19 ASP CB C 28 43.518 42.481 1.037 1
1 218 . 11 1 1 A 19 19 ASP N N 28 119.247 118.257 0.990 1
1 219 . 11 1 1 A 20 20 PHE H H 29 8.506 9.282 -0.776 1
1 220 . 11 1 1 A 20 20 PHE HA H 29 4.049 4.031 0.018 1
1 227 . 11 1 1 A 20 20 PHE CA C 29 60.767 62.294 -1.527 1
1 228 . 11 1 1 A 20 20 PHE CB C 29 39.305 39.922 -0.617 1
1 231 . 11 1 1 A 20 20 PHE N N 29 122.011 123.572 -1.561 1
1 232 . 11 1 1 A 21 21 PHE H H 30 8.350 8.298 0.052 1
1 233 . 11 1 1 A 21 21 PHE HA H 30 4.677 4.193 0.484 1
1 240 . 11 1 1 A 21 21 PHE CA C 30 57.789 59.679 -1.890 1
1 241 . 11 1 1 A 21 21 PHE CB C 30 40.824 38.879 1.945 1
1 244 . 11 1 1 A 21 21 PHE N N 30 113.764 119.327 -5.563 1
1 245 . 11 1 1 A 22 22 ARG H H 31 7.631 7.387 0.244 1
1 246 . 11 1 1 A 22 22 ARG HA H 31 4.614 4.820 -0.206 1
1 252 . 11 1 1 A 22 22 ARG CA C 31 55.325 54.405 0.920 1
1 253 . 11 1 1 A 22 22 ARG CB C 31 33.640 34.243 -0.603 1
1 256 . 11 1 1 A 22 22 ARG N N 31 118.778 119.572 -0.794 1
1 257 . 11 1 1 A 23 23 LEU H H 32 8.699 8.813 -0.114 1
1 258 . 11 1 1 A 23 23 LEU HA H 32 4.509 4.848 -0.339 1
1 268 . 11 1 1 A 23 23 LEU CA C 32 52.758 50.991 1.767 1
1 269 . 11 1 1 A 23 23 LEU CB C 32 42.593 45.362 -2.769 1
1 273 . 11 1 1 A 23 23 LEU N N 32 123.464 121.787 1.677 1
1 274 . 11 1 1 A 24 24 PRO HA H 33 4.648 4.825 -0.177 1
1 281 . 11 1 1 A 24 24 PRO CA C 33 62.753 62.141 0.612 1
1 282 . 11 1 1 A 24 24 PRO CB C 33 33.965 32.759 1.206 1
1 285 . 11 1 1 A 25 25 ASP H H 34 7.463 8.554 -1.091 1
1 286 . 11 1 1 A 25 25 ASP HA H 34 6.052 5.503 0.549 1
1 289 . 11 1 1 A 25 25 ASP CA C 34 51.080 51.842 -0.762 1
1 290 . 11 1 1 A 25 25 ASP CB C 34 42.779 41.819 0.960 1
1 291 . 11 1 1 A 25 25 ASP N N 34 117.091 121.211 -4.120 1
1 292 . 11 1 1 A 26 26 PRO HA H 35 5.968 5.185 0.783 1
1 299 . 11 1 1 A 26 26 PRO CA C 35 62.827 62.967 -0.140 1
1 300 . 11 1 1 A 26 26 PRO CB C 35 35.132 32.914 2.218 1
1 303 . 11 1 1 A 27 27 PHE H H 36 9.284 8.839 0.445 1
1 304 . 11 1 1 A 27 27 PHE HA H 36 5.009 5.244 -0.235 1
1 312 . 11 1 1 A 27 27 PHE CA C 36 56.301 56.117 0.184 1
1 313 . 11 1 1 A 27 27 PHE CB C 36 42.689 41.332 1.357 1
1 317 . 11 1 1 A 27 27 PHE N N 36 120.090 118.830 1.260 1
1 318 . 11 1 1 A 28 28 ALA H H 37 8.408 8.581 -0.173 1
1 319 . 11 1 1 A 28 28 ALA HA H 37 5.481 5.277 0.204 1
1 323 . 11 1 1 A 28 28 ALA CA C 37 49.186 49.828 -0.642 1
1 324 . 11 1 1 A 28 28 ALA CB C 37 20.389 22.980 -2.591 1
1 325 . 11 1 1 A 28 28 ALA N N 37 122.433 121.166 1.267 1
1 326 . 11 1 1 A 29 29 LYS H H 38 9.617 8.828 0.789 1
1 327 . 11 1 1 A 29 29 LYS HA H 38 5.267 5.341 -0.074 1
1 335 . 11 1 1 A 29 29 LYS CA C 38 54.901 54.946 -0.045 1
1 336 . 11 1 1 A 29 29 LYS CB C 38 36.624 35.418 1.206 1
1 340 . 11 1 1 A 29 29 LYS N N 38 121.964 119.101 2.863 1
1 341 . 11 1 1 A 30 30 VAL H H 39 9.159 9.004 0.155 1
1 342 . 11 1 1 A 30 30 VAL HA H 39 4.494 4.587 -0.093 1
1 350 . 11 1 1 A 30 30 VAL CA C 39 61.335 61.982 -0.647 1
1 351 . 11 1 1 A 30 30 VAL CB C 39 34.954 32.255 2.699 1
1 354 . 11 1 1 A 30 30 VAL N N 39 124.497 125.310 -0.813 1
1 355 . 11 1 1 A 31 31 VAL H H 40 8.659 8.636 0.023 1
1 356 . 11 1 1 A 31 31 VAL HA H 40 5.091 4.833 0.258 1
1 364 . 11 1 1 A 31 31 VAL CA C 40 59.898 59.499 0.399 1
1 365 . 11 1 1 A 31 31 VAL CB C 40 36.959 35.682 1.277 1
1 368 . 11 1 1 A 31 31 VAL N N 40 124.589 120.963 3.626 1
1 369 . 11 1 1 A 32 32 VAL H H 41 7.786 8.943 -1.157 1
1 370 . 11 1 1 A 32 32 VAL HA H 41 4.660 4.642 0.018 1
1 378 . 11 1 1 A 32 32 VAL CA C 41 62.268 61.156 1.112 1
1 379 . 11 1 1 A 32 32 VAL CB C 41 30.995 32.702 -1.707 1
1 382 . 11 1 1 A 32 32 VAL N N 41 125.385 124.918 0.467 1
1 383 . 11 1 1 A 33 33 ASP H H 42 8.568 8.541 0.027 1
1 384 . 11 1 1 A 33 33 ASP HA H 42 4.310 4.752 -0.442 1
1 386 . 11 1 1 A 33 33 ASP CA C 42 57.321 53.597 3.724 1
1 387 . 11 1 1 A 33 33 ASP CB C 42 40.727 39.694 1.033 1
1 388 . 11 1 1 A 33 33 ASP N N 42 130.868 128.354 2.514 1
1 389 . 11 1 1 A 34 34 GLY HA2 H 43 4.230 4.042 0.188 1
1 390 . 11 1 1 A 34 34 GLY HA3 H 43 3.818 4.049 -0.231 1
1 391 . 11 1 1 A 34 34 GLY CA C 43 46.510 45.413 1.097 1
1 392 . 11 1 1 A 35 35 SER H H 44 8.049 7.831 0.218 1
1 393 . 11 1 1 A 35 35 SER HA H 44 4.928 4.736 0.192 1
1 396 . 11 1 1 A 35 35 SER CA C 44 58.067 59.623 -1.556 1
1 397 . 11 1 1 A 35 35 SER CB C 44 67.393 65.473 1.920 1
1 398 . 11 1 1 A 35 35 SER N N 44 115.029 115.333 -0.304 1
1 399 . 11 1 1 A 36 36 GLY H H 45 8.637 8.049 0.588 1
1 400 . 11 1 1 A 36 36 GLY HA2 H 45 4.338 4.036 0.302 1
1 401 . 11 1 1 A 36 36 GLY HA3 H 45 3.884 4.037 -0.153 1
1 402 . 11 1 1 A 36 36 GLY CA C 45 46.137 45.063 1.074 1
1 403 . 11 1 1 A 36 36 GLY N N 45 109.265 108.814 0.451 1
1 404 . 11 1 1 A 37 37 GLN H H 46 8.329 7.916 0.413 1
1 405 . 11 1 1 A 37 37 GLN HA H 46 4.339 4.284 0.055 1
1 412 . 11 1 1 A 37 37 GLN CA C 46 56.002 57.046 -1.044 1
1 413 . 11 1 1 A 37 37 GLN CB C 46 30.241 29.591 0.650 1
1 415 . 11 1 1 A 37 37 GLN N N 46 120.699 120.738 -0.039 1
1 417 . 11 1 1 A 38 38 CYS H H 47 7.787 8.500 -0.713 1
1 418 . 11 1 1 A 38 38 CYS HA H 47 5.257 5.895 -0.638 1
1 420 . 11 1 1 A 38 38 CYS CA C 47 56.761 56.929 -0.168 1
1 421 . 11 1 1 A 38 38 CYS CB C 47 29.250 30.800 -1.550 1
1 422 . 11 1 1 A 38 38 CYS N N 47 124.214 122.656 1.558 1
1 423 . 11 1 1 A 39 39 HIS H H 48 8.906 8.678 0.228 1
1 424 . 11 1 1 A 39 39 HIS HA H 48 4.730 5.069 -0.339 1
1 428 . 11 1 1 A 39 39 HIS CA C 48 54.888 54.224 0.664 1
1 429 . 11 1 1 A 39 39 HIS CB C 48 34.688 34.577 0.111 1
1 431 . 11 1 1 A 39 39 HIS N N 48 125.807 119.943 5.864 1
1 432 . 11 1 1 A 40 40 SER H H 49 8.728 8.683 0.045 1
1 433 . 11 1 1 A 40 40 SER HA H 49 5.732 5.359 0.373 1
1 436 . 11 1 1 A 40 40 SER CA C 49 57.041 57.325 -0.284 1
1 437 . 11 1 1 A 40 40 SER CB C 49 66.274 66.575 -0.301 1
1 438 . 11 1 1 A 40 40 SER N N 49 116.034 114.304 1.730 1
1 439 . 11 1 1 A 41 41 THR H H 50 9.212 8.729 0.483 1
1 440 . 11 1 1 A 41 41 THR HA H 50 4.477 4.979 -0.502 1
1 445 . 11 1 1 A 41 41 THR CA C 50 61.457 60.058 1.399 1
1 446 . 11 1 1 A 41 41 THR CB C 50 72.337 70.325 2.012 1
1 448 . 11 1 1 A 41 41 THR N N 50 115.404 113.185 2.219 1
1 449 . 11 1 1 A 42 42 ASP H H 51 9.424 8.692 0.732 1
1 450 . 11 1 1 A 42 42 ASP HA H 51 4.676 4.532 0.144 1
1 453 . 11 1 1 A 42 42 ASP CA C 51 54.996 55.163 -0.167 1
1 454 . 11 1 1 A 42 42 ASP CB C 51 41.543 41.524 0.019 1
1 455 . 11 1 1 A 42 42 ASP N N 51 119.340 123.180 -3.840 1
1 456 . 11 1 1 A 43 43 THR H H 52 8.650 8.542 0.108 1
1 457 . 11 1 1 A 43 43 THR HA H 52 4.858 5.096 -0.238 1
1 462 . 11 1 1 A 43 43 THR CA C 52 62.637 62.159 0.478 1
1 463 . 11 1 1 A 43 43 THR CB C 52 70.191 70.135 0.056 1
1 465 . 11 1 1 A 43 43 THR N N 52 117.836 117.310 0.526 1
1 466 . 11 1 1 A 44 44 VAL H H 53 8.266 9.348 -1.082 1
1 467 . 11 1 1 A 44 44 VAL HA H 53 4.363 4.778 -0.415 1
1 475 . 11 1 1 A 44 44 VAL CA C 53 61.086 60.598 0.488 1
1 476 . 11 1 1 A 44 44 VAL CB C 53 33.361 34.116 -0.755 1
1 479 . 11 1 1 A 44 44 VAL N N 53 127.775 125.281 2.494 1
1 480 . 11 1 1 A 45 45 LYS H H 54 8.163 8.723 -0.560 1
1 481 . 11 1 1 A 45 45 LYS HA H 54 4.229 5.117 -0.888 1
1 487 . 11 1 1 A 45 45 LYS CA C 54 56.627 54.520 2.107 1
1 488 . 11 1 1 A 45 45 LYS CB C 54 33.739 34.974 -1.235 1
1 492 . 11 1 1 A 45 45 LYS N N 54 120.934 121.082 -0.148 1
1 493 . 11 1 1 A 46 46 ASN H H 55 9.642 8.879 0.763 1
1 494 . 11 1 1 A 46 46 ASN HA H 55 4.150 4.209 -0.059 1
1 499 . 11 1 1 A 46 46 ASN CA C 55 54.029 54.093 -0.064 1
1 500 . 11 1 1 A 46 46 ASN CB C 55 38.668 36.985 1.683 1
1 501 . 11 1 1 A 46 46 ASN N N 55 121.215 117.515 3.700 1
1 503 . 11 1 1 A 47 47 THR H H 56 8.246 8.030 0.216 1
1 504 . 11 1 1 A 47 47 THR HA H 56 4.661 4.781 -0.120 1
1 509 . 11 1 1 A 47 47 THR CA C 56 60.963 60.439 0.524 1
1 510 . 11 1 1 A 47 47 THR CB C 56 68.512 70.635 -2.123 1
1 512 . 11 1 1 A 47 47 THR N N 56 111.936 113.304 -1.368 1
1 513 . 11 1 1 A 48 48 LEU H H 57 8.245 8.579 -0.334 1
1 514 . 11 1 1 A 48 48 LEU HA H 57 4.410 4.603 -0.193 1
1 524 . 11 1 1 A 48 48 LEU CA C 57 53.641 53.904 -0.263 1
1 525 . 11 1 1 A 48 48 LEU CB C 57 41.570 41.850 -0.280 1
1 529 . 11 1 1 A 48 48 LEU N N 57 122.433 124.888 -2.455 1
1 530 . 11 1 1 A 49 49 ASP H H 58 8.544 7.790 0.754 1
1 531 . 11 1 1 A 49 49 ASP HA H 58 5.419 4.936 0.483 1
1 534 . 11 1 1 A 49 49 ASP CA C 58 51.826 51.845 -0.019 1
1 535 . 11 1 1 A 49 49 ASP CB C 58 44.085 41.023 3.062 1
1 536 . 11 1 1 A 49 49 ASP N N 58 116.903 119.372 -2.469 1
1 537 . 11 1 1 A 50 50 PRO HA H 59 3.790 4.491 -0.701 1
1 543 . 11 1 1 A 50 50 PRO CA C 59 63.219 62.030 1.189 1
1 544 . 11 1 1 A 50 50 PRO CB C 59 32.661 32.891 -0.230 1
1 547 . 11 1 1 A 51 51 LYS H H 60 7.806 7.949 -0.143 1
1 548 . 11 1 1 A 51 51 LYS HA H 60 4.224 4.681 -0.457 1
1 555 . 11 1 1 A 51 51 LYS CA C 60 55.521 54.804 0.717 1
1 556 . 11 1 1 A 51 51 LYS CB C 60 33.826 36.408 -2.582 1
1 560 . 11 1 1 A 51 51 LYS N N 60 119.996 116.640 3.356 1
1 561 . 11 1 1 A 52 52 TRP H H 61 7.791 8.300 -0.509 1
1 562 . 11 1 1 A 52 52 TRP HA H 61 4.824 4.883 -0.059 1
1 570 . 11 1 1 A 52 52 TRP CA C 61 60.590 57.656 2.934 1
1 571 . 11 1 1 A 52 52 TRP CB C 61 29.715 31.421 -1.706 1
1 576 . 11 1 1 A 52 52 TRP N N 61 122.386 120.437 1.949 1
1 578 . 11 1 1 A 53 53 ASN H H 62 9.040 8.117 0.923 1
1 579 . 11 1 1 A 53 53 ASN HA H 62 4.419 4.496 -0.077 1
1 584 . 11 1 1 A 53 53 ASN CA C 62 53.789 54.059 -0.270 1
1 585 . 11 1 1 A 53 53 ASN CB C 62 37.922 36.256 1.666 1
1 586 . 11 1 1 A 53 53 ASN N N 62 117.185 117.554 -0.369 1
1 588 . 11 1 1 A 54 54 GLN H H 63 7.512 7.388 0.124 1
1 589 . 11 1 1 A 54 54 GLN HA H 63 4.584 4.714 -0.130 1
1 596 . 11 1 1 A 54 54 GLN CA C 63 55.008 54.397 0.611 1
1 597 . 11 1 1 A 54 54 GLN CB C 63 34.938 31.260 3.678 1
1 599 . 11 1 1 A 54 54 GLN N N 63 116.341 118.423 -2.082 1
1 601 . 11 1 1 A 55 55 HIS H H 64 7.782 8.002 -0.220 1
1 602 . 11 1 1 A 55 55 HIS HA H 64 5.796 6.017 -0.221 1
1 606 . 11 1 1 A 55 55 HIS CA C 64 53.059 53.286 -0.227 1
1 607 . 11 1 1 A 55 55 HIS CB C 64 34.378 33.325 1.053 1
1 609 . 11 1 1 A 55 55 HIS N N 64 118.403 117.689 0.714 1
1 610 . 11 1 1 A 56 56 TYR H H 65 8.657 8.811 -0.154 1
1 611 . 11 1 1 A 56 56 TYR HA H 65 4.404 4.833 -0.429 1
1 618 . 11 1 1 A 56 56 TYR CA C 65 57.430 56.348 1.082 1
1 619 . 11 1 1 A 56 56 TYR CB C 65 42.958 41.615 1.343 1
1 622 . 11 1 1 A 56 56 TYR N N 65 116.435 119.632 -3.197 1
1 623 . 11 1 1 A 57 57 ASP H H 66 8.772 8.810 -0.038 1
1 624 . 11 1 1 A 57 57 ASP HA H 66 5.283 5.059 0.224 1
1 627 . 11 1 1 A 57 57 ASP CA C 66 54.250 53.908 0.342 1
1 628 . 11 1 1 A 57 57 ASP CB C 66 40.914 41.710 -0.796 1
1 629 . 11 1 1 A 57 57 ASP N N 66 124.776 123.012 1.764 1
1 630 . 11 1 1 A 58 58 LEU H H 67 9.175 8.837 0.338 1
1 631 . 11 1 1 A 58 58 LEU HA H 67 4.589 4.885 -0.296 1
1 641 . 11 1 1 A 58 58 LEU CA C 67 53.131 53.518 -0.387 1
1 642 . 11 1 1 A 58 58 LEU CB C 67 45.060 45.264 -0.204 1
1 645 . 11 1 1 A 58 58 LEU N N 67 124.558 124.880 -0.322 1
1 646 . 11 1 1 A 59 59 TYR H H 68 8.877 8.759 0.118 1
1 647 . 11 1 1 A 59 59 TYR HA H 68 5.096 5.203 -0.107 1
1 654 . 11 1 1 A 59 59 TYR CA C 68 57.606 58.541 -0.935 1
1 655 . 11 1 1 A 59 59 TYR CB C 68 39.422 39.706 -0.284 1
1 658 . 11 1 1 A 59 59 TYR N N 68 121.215 123.216 -2.001 1
1 659 . 11 1 1 A 60 60 ILE H H 69 9.162 8.806 0.356 1
1 660 . 11 1 1 A 60 60 ILE HA H 69 4.551 4.582 -0.031 1
1 670 . 11 1 1 A 60 60 ILE CA C 69 59.471 59.958 -0.487 1
1 671 . 11 1 1 A 60 60 ILE CB C 69 40.500 39.698 0.802 1
1 675 . 11 1 1 A 60 60 ILE N N 69 124.823 122.357 2.466 1
1 676 . 11 1 1 A 61 61 GLY H H 70 9.960 8.788 1.172 1
1 677 . 11 1 1 A 61 61 GLY HA2 H 70 4.517 4.110 0.407 1
1 678 . 11 1 1 A 61 61 GLY HA3 H 70 3.881 4.114 -0.233 1
1 679 . 11 1 1 A 61 61 GLY CA C 70 44.083 44.535 -0.452 1
1 680 . 11 1 1 A 61 61 GLY N N 70 117.841 115.045 2.796 1
1 681 . 11 1 1 A 62 62 LYS H H 71 8.605 8.850 -0.245 1
1 682 . 11 1 1 A 62 62 LYS HA H 71 4.090 3.846 0.244 1
1 687 . 11 1 1 A 62 62 LYS CA C 71 59.447 59.630 -0.183 1
1 688 . 11 1 1 A 62 62 LYS CB C 71 33.453 32.577 0.876 1
1 692 . 11 1 1 A 62 62 LYS N N 71 119.434 120.171 -0.737 1
1 693 . 11 1 1 A 63 63 SER H H 72 8.544 7.733 0.811 1
1 694 . 11 1 1 A 63 63 SER HA H 72 4.811 4.661 0.150 1
1 696 . 11 1 1 A 63 63 SER CA C 72 57.606 57.142 0.464 1
1 697 . 11 1 1 A 63 63 SER CB C 72 64.013 63.223 0.790 1
1 698 . 11 1 1 A 63 63 SER N N 72 111.842 113.975 -2.133 1
1 699 . 11 1 1 A 64 64 ASP H H 73 7.247 8.177 -0.930 1
1 700 . 11 1 1 A 64 64 ASP HA H 73 4.867 5.365 -0.498 1
1 702 . 11 1 1 A 64 64 ASP CA C 73 55.500 53.029 2.471 1
1 703 . 11 1 1 A 64 64 ASP CB C 73 43.331 44.305 -0.974 1
1 704 . 11 1 1 A 64 64 ASP N N 73 121.964 125.552 -3.588 1
1 705 . 11 1 1 A 65 65 SER H H 74 8.742 8.854 -0.112 1
1 706 . 11 1 1 A 65 65 SER HA H 74 5.074 5.202 -0.128 1
1 708 . 11 1 1 A 65 65 SER CA C 74 56.301 56.919 -0.618 1
1 709 . 11 1 1 A 65 65 SER CB C 74 67.579 66.451 1.128 1
1 710 . 11 1 1 A 65 65 SER N N 74 111.936 116.123 -4.187 1
1 711 . 11 1 1 A 66 66 VAL H H 75 8.622 8.335 0.287 1
1 712 . 11 1 1 A 66 66 VAL HA H 75 5.095 4.880 0.215 1
1 720 . 11 1 1 A 66 66 VAL CA C 75 60.217 60.679 -0.462 1
1 721 . 11 1 1 A 66 66 VAL CB C 75 36.617 34.913 1.704 1
1 724 . 11 1 1 A 66 66 VAL N N 75 119.422 121.753 -2.331 1
1 725 . 11 1 1 A 67 67 THR H H 76 9.152 8.815 0.337 1
1 726 . 11 1 1 A 67 67 THR HA H 76 5.199 4.992 0.207 1
1 731 . 11 1 1 A 67 67 THR CA C 76 63.014 61.938 1.076 1
1 732 . 11 1 1 A 67 67 THR CB C 76 69.703 71.417 -1.714 1
1 734 . 11 1 1 A 67 67 THR N N 76 123.839 123.039 0.800 1
1 735 . 11 1 1 A 68 68 ILE H H 77 9.106 8.965 0.141 1
1 736 . 11 1 1 A 68 68 ILE HA H 77 5.389 4.788 0.601 1
1 746 . 11 1 1 A 68 68 ILE CA C 77 59.844 60.324 -0.480 1
1 747 . 11 1 1 A 68 68 ILE CB C 77 40.347 39.155 1.192 1
1 751 . 11 1 1 A 68 68 ILE N N 77 129.275 129.743 -0.468 1
1 752 . 11 1 1 A 69 69 SER H H 78 9.645 9.042 0.603 1
1 753 . 11 1 1 A 69 69 SER HA H 78 5.265 5.405 -0.140 1
1 756 . 11 1 1 A 69 69 SER CA C 78 56.114 55.574 0.540 1
1 757 . 11 1 1 A 69 69 SER CB C 78 66.087 66.427 -0.340 1
1 758 . 11 1 1 A 69 69 SER N N 78 120.559 120.810 -0.251 1
1 759 . 11 1 1 A 70 70 VAL H H 79 8.482 8.325 0.157 1
1 760 . 11 1 1 A 70 70 VAL HA H 79 4.676 4.769 -0.093 1
1 768 . 11 1 1 A 70 70 VAL CA C 79 60.852 60.858 -0.006 1
1 769 . 11 1 1 A 70 70 VAL CB C 79 32.992 34.472 -1.480 1
1 772 . 11 1 1 A 70 70 VAL N N 79 121.777 120.506 1.271 1
1 773 . 11 1 1 A 71 71 TRP H H 80 8.627 8.326 0.301 1
1 774 . 11 1 1 A 71 71 TRP HA H 80 4.930 5.266 -0.336 1
1 783 . 11 1 1 A 71 71 TRP CA C 80 55.182 55.068 0.114 1
1 784 . 11 1 1 A 71 71 TRP CB C 80 34.058 33.660 0.398 1
1 790 . 11 1 1 A 71 71 TRP N N 80 124.474 126.328 -1.854 1
1 792 . 11 1 1 A 72 72 ASN H H 81 9.891 9.117 0.774 1
1 793 . 11 1 1 A 72 72 ASN HA H 81 4.789 5.097 -0.308 1
1 798 . 11 1 1 A 72 72 ASN CA C 81 51.049 52.607 -1.558 1
1 799 . 11 1 1 A 72 72 ASN CB C 81 39.091 38.223 0.868 1
1 800 . 11 1 1 A 72 72 ASN N N 81 116.435 121.836 -5.401 1
1 802 . 11 1 1 A 73 73 HIS H H 82 9.967 9.260 0.707 1
1 803 . 11 1 1 A 73 73 HIS HA H 82 4.499 4.364 0.135 1
1 806 . 11 1 1 A 73 73 HIS CA C 82 60.788 60.627 0.161 1
1 807 . 11 1 1 A 73 73 HIS CB C 82 32.327 30.554 1.773 1
1 808 . 11 1 1 A 73 73 HIS N N 82 127.963 126.197 1.766 1
1 809 . 11 1 1 A 74 74 LYS H H 83 7.764 8.277 -0.513 1
1 810 . 11 1 1 A 74 74 LYS HA H 83 4.297 3.918 0.379 1
1 817 . 11 1 1 A 74 74 LYS CA C 83 59.232 59.944 -0.712 1
1 818 . 11 1 1 A 74 74 LYS CB C 83 33.640 32.315 1.325 1
1 822 . 11 1 1 A 74 74 LYS N N 83 112.592 118.139 -5.547 1
1 823 . 11 1 1 A 75 75 LYS H H 84 7.626 7.676 -0.050 1
1 824 . 11 1 1 A 75 75 LYS HA H 84 4.607 4.200 0.407 1
1 832 . 11 1 1 A 75 75 LYS CA C 84 55.828 58.853 -3.025 1
1 833 . 11 1 1 A 75 75 LYS CB C 84 36.064 31.942 4.122 1
1 837 . 11 1 1 A 75 75 LYS N N 84 114.560 117.848 -3.288 1
1 838 . 11 1 1 A 76 76 ILE H H 85 7.021 7.927 -0.906 1
1 839 . 11 1 1 A 76 76 ILE HA H 85 4.132 4.149 -0.017 1
1 849 . 11 1 1 A 76 76 ILE CA C 85 64.013 64.207 -0.194 1
1 850 . 11 1 1 A 76 76 ILE CB C 85 39.146 37.432 1.714 1
1 854 . 11 1 1 A 76 76 ILE N N 85 113.811 116.884 -3.073 1
1 855 . 11 1 1 A 77 77 HIS H H 86 8.335 7.654 0.681 1
1 856 . 11 1 1 A 77 77 HIS HA H 86 4.612 4.173 0.439 1
1 859 . 11 1 1 A 77 77 HIS CA C 86 56.815 59.232 -2.417 1
1 860 . 11 1 1 A 77 77 HIS CB C 86 30.461 29.642 0.819 1
1 862 . 11 1 1 A 77 77 HIS N N 86 117.841 123.027 -5.186 1
1 863 . 11 1 1 A 78 78 LYS H H 87 7.587 7.638 -0.051 1
1 864 . 11 1 1 A 78 78 LYS HA H 87 4.094 4.088 0.006 1
1 870 . 11 1 1 A 78 78 LYS CA C 87 57.628 57.986 -0.358 1
1 871 . 11 1 1 A 78 78 LYS CB C 87 32.893 33.487 -0.594 1
1 875 . 11 1 1 A 78 78 LYS N N 87 120.652 119.311 1.341 1
1 876 . 11 1 1 A 79 79 LYS H H 88 7.585 8.010 -0.425 1
1 877 . 11 1 1 A 79 79 LYS HA H 88 4.304 4.346 -0.042 1
1 883 . 11 1 1 A 79 79 LYS CA C 88 56.467 58.238 -1.771 1
1 884 . 11 1 1 A 79 79 LYS CB C 88 34.013 31.206 2.807 1
1 888 . 11 1 1 A 79 79 LYS N N 88 115.872 117.991 -2.119 1
1 889 . 11 1 1 A 80 80 GLN H H 89 8.625 8.760 -0.135 1
1 890 . 11 1 1 A 80 80 GLN HA H 89 4.192 4.213 -0.021 1
1 893 . 11 1 1 A 80 80 GLN CA C 89 57.590 56.755 0.835 1
1 894 . 11 1 1 A 80 80 GLN CB C 89 28.331 28.308 0.023 1
1 896 . 11 1 1 A 80 80 GLN N N 89 121.308 120.740 0.568 1
1 897 . 11 1 1 A 81 81 GLY H H 90 8.791 8.758 0.033 1
1 898 . 11 1 1 A 81 81 GLY HA2 H 90 4.332 3.974 0.358 1
1 899 . 11 1 1 A 81 81 GLY HA3 H 90 3.850 3.981 -0.131 1
1 900 . 11 1 1 A 81 81 GLY CA C 90 45.950 46.023 -0.073 1
1 901 . 11 1 1 A 81 81 GLY N N 90 112.984 110.218 2.766 1
1 902 . 11 1 1 A 82 82 ALA H H 91 7.951 7.259 0.692 1
1 903 . 11 1 1 A 82 82 ALA HA H 91 4.485 4.120 0.365 1
1 907 . 11 1 1 A 82 82 ALA CA C 91 53.404 54.061 -0.657 1
1 908 . 11 1 1 A 82 82 ALA CB C 91 20.762 18.421 2.341 1
1 909 . 11 1 1 A 82 82 ALA N N 91 123.745 123.735 0.010 1
1 910 . 11 1 1 A 83 83 GLY H H 92 8.860 9.006 -0.146 1
1 911 . 11 1 1 A 83 83 GLY HA2 H 92 4.270 4.144 0.126 1
1 912 . 11 1 1 A 83 83 GLY HA3 H 92 4.262 4.190 0.072 1
1 913 . 11 1 1 A 83 83 GLY CA C 92 46.689 45.912 0.777 1
1 914 . 11 1 1 A 83 83 GLY N N 92 105.564 111.354 -5.790 1
1 915 . 11 1 1 A 84 84 PHE H H 93 8.113 8.029 0.084 1
1 916 . 11 1 1 A 84 84 PHE HA H 93 3.440 4.722 -1.282 1
1 924 . 11 1 1 A 84 84 PHE CA C 93 59.932 56.603 3.329 1
1 925 . 11 1 1 A 84 84 PHE CB C 93 39.141 39.890 -0.749 1
1 929 . 11 1 1 A 84 84 PHE N N 93 121.215 120.265 0.950 1
1 930 . 11 1 1 A 85 85 LEU H H 94 8.204 8.704 -0.500 1
1 931 . 11 1 1 A 85 85 LEU HA H 94 4.334 4.019 0.315 1
1 938 . 11 1 1 A 85 85 LEU CA C 94 53.569 56.872 -3.303 1
1 939 . 11 1 1 A 85 85 LEU CB C 94 43.255 42.513 0.742 1
1 942 . 11 1 1 A 85 85 LEU N N 94 125.432 129.275 -3.843 1
1 943 . 11 1 1 A 86 86 GLY HA2 H 95 4.222 3.531 0.691 1
1 944 . 11 1 1 A 86 86 GLY HA3 H 95 3.147 3.817 -0.670 1
1 945 . 11 1 1 A 86 86 GLY CA C 95 45.570 45.525 0.045 1
1 946 . 11 1 1 A 87 87 CYS H H 96 9.230 8.564 0.666 1
1 947 . 11 1 1 A 87 87 CYS HA H 96 5.838 5.126 0.712 1
1 949 . 11 1 1 A 87 87 CYS CA C 96 55.882 57.411 -1.529 1
1 950 . 11 1 1 A 87 87 CYS CB C 96 33.259 28.993 4.266 1
1 951 . 11 1 1 A 87 87 CYS N N 96 114.935 124.315 -9.380 1
1 952 . 11 1 1 A 88 88 VAL H H 97 9.242 9.000 0.242 1
1 953 . 11 1 1 A 88 88 VAL HA H 97 4.575 4.802 -0.227 1
1 961 . 11 1 1 A 88 88 VAL CA C 97 61.769 60.178 1.591 1
1 962 . 11 1 1 A 88 88 VAL CB C 97 35.684 33.844 1.840 1
1 965 . 11 1 1 A 88 88 VAL N N 97 115.966 125.756 -9.790 1
1 966 . 11 1 1 A 89 89 ARG H H 98 8.665 9.123 -0.458 1
1 967 . 11 1 1 A 89 89 ARG HA H 98 5.166 5.226 -0.060 1
1 973 . 11 1 1 A 89 89 ARG CA C 98 54.929 54.408 0.521 1
1 974 . 11 1 1 A 89 89 ARG CB C 98 31.961 33.775 -1.814 1
1 977 . 11 1 1 A 89 89 ARG N N 98 125.526 129.820 -4.294 1
1 978 . 11 1 1 A 90 90 LEU H H 99 9.611 8.643 0.968 1
1 979 . 11 1 1 A 90 90 LEU HA H 99 4.644 5.187 -0.543 1
1 989 . 11 1 1 A 90 90 LEU CA C 99 53.217 52.959 0.258 1
1 990 . 11 1 1 A 90 90 LEU CB C 99 43.339 45.018 -1.679 1
1 994 . 11 1 1 A 90 90 LEU N N 99 127.119 127.025 0.094 1
1 995 . 11 1 1 A 91 91 LEU H H 100 7.953 8.607 -0.654 1
1 996 . 11 1 1 A 91 91 LEU HA H 100 4.540 4.674 -0.134 1
1 1005 . 11 1 1 A 91 91 LEU CA C 100 54.523 53.868 0.655 1
1 1006 . 11 1 1 A 91 91 LEU CB C 100 42.593 42.431 0.162 1
1 1010 . 11 1 1 A 91 91 LEU N N 100 122.527 125.522 -2.995 1
1 1011 . 11 1 1 A 92 92 SER H H 101 8.754 8.912 -0.158 1
1 1012 . 11 1 1 A 92 92 SER HA H 101 3.950 4.114 -0.164 1
1 1013 . 11 1 1 A 92 92 SER CA C 101 63.171 61.603 1.568 1
1 1014 . 11 1 1 A 92 92 SER N N 101 115.966 117.499 -1.533 1
1 1015 . 11 1 1 A 93 93 ASN H H 102 7.765 8.553 -0.788 1
1 1016 . 11 1 1 A 93 93 ASN HA H 102 4.500 4.458 0.042 1
1 1020 . 11 1 1 A 93 93 ASN CA C 102 56.487 56.028 0.459 1
1 1021 . 11 1 1 A 93 93 ASN CB C 102 37.514 37.714 -0.200 1
1 1022 . 11 1 1 A 93 93 ASN N N 102 116.950 117.820 -0.870 1
1 1024 . 11 1 1 A 94 94 ALA H H 103 7.345 7.736 -0.391 1
1 1025 . 11 1 1 A 94 94 ALA HA H 103 4.230 4.110 0.120 1
1 1029 . 11 1 1 A 94 94 ALA CA C 103 54.843 55.127 -0.284 1
1 1030 . 11 1 1 A 94 94 ALA CB C 103 19.643 18.320 1.323 1
1 1031 . 11 1 1 A 94 94 ALA N N 103 124.495 121.922 2.573 1
1 1032 . 11 1 1 A 95 95 ILE H H 104 8.322 8.172 0.150 1
1 1033 . 11 1 1 A 95 95 ILE HA H 104 3.280 3.604 -0.324 1
1 1043 . 11 1 1 A 95 95 ILE CA C 104 66.184 64.634 1.550 1
1 1044 . 11 1 1 A 95 95 ILE CB C 104 37.922 37.400 0.522 1
1 1048 . 11 1 1 A 95 95 ILE N N 104 119.310 119.355 -0.045 1
1 1049 . 11 1 1 A 96 96 ASN H H 105 7.815 7.779 0.036 1
1 1050 . 11 1 1 A 96 96 ASN HA H 105 4.332 4.467 -0.135 1
1 1052 . 11 1 1 A 96 96 ASN CA C 105 56.487 56.101 0.386 1
1 1053 . 11 1 1 A 96 96 ASN CB C 105 38.855 38.123 0.732 1
1 1054 . 11 1 1 A 96 96 ASN N N 105 114.748 118.901 -4.153 1
1 1055 . 11 1 1 A 97 97 ARG H H 106 7.595 7.735 -0.140 1
1 1056 . 11 1 1 A 97 97 ARG HA H 106 4.257 4.296 -0.039 1
1 1061 . 11 1 1 A 97 97 ARG CA C 106 58.294 58.846 -0.552 1
1 1062 . 11 1 1 A 97 97 ARG CB C 106 31.401 29.638 1.763 1
1 1065 . 11 1 1 A 97 97 ARG N N 106 117.934 119.226 -1.292 1
1 1066 . 11 1 1 A 98 98 LEU H H 107 8.179 8.480 -0.301 1
1 1067 . 11 1 1 A 98 98 LEU HA H 107 4.288 4.357 -0.069 1
1 1077 . 11 1 1 A 98 98 LEU CA C 107 55.735 57.713 -1.978 1
1 1078 . 11 1 1 A 98 98 LEU CB C 107 44.264 41.409 2.855 1
1 1082 . 11 1 1 A 98 98 LEU N N 107 116.341 119.469 -3.128 1
1 1083 . 11 1 1 A 99 99 LYS H H 108 8.058 8.807 -0.749 1
1 1084 . 11 1 1 A 99 99 LYS HA H 108 4.078 4.052 0.026 1
1 1091 . 11 1 1 A 99 99 LYS CA C 108 58.256 58.900 -0.644 1
1 1092 . 11 1 1 A 99 99 LYS CB C 108 32.520 31.878 0.642 1
1 1096 . 11 1 1 A 99 99 LYS N N 108 123.558 118.053 5.505 1
1 1097 . 11 1 1 A 100 100 ASP H H 109 9.305 7.807 1.498 1
1 1098 . 11 1 1 A 100 100 ASP HA H 109 4.672 4.535 0.137 1
1 1101 . 11 1 1 A 100 100 ASP CA C 109 57.047 56.389 0.658 1
1 1102 . 11 1 1 A 100 100 ASP CB C 109 39.041 41.035 -1.994 1
1 1103 . 11 1 1 A 100 100 ASP N N 109 115.779 119.266 -3.487 1
1 1104 . 11 1 1 A 101 101 THR H H 110 7.546 7.599 -0.053 1
1 1105 . 11 1 1 A 101 101 THR HA H 110 4.675 4.130 0.545 1
1 1110 . 11 1 1 A 101 101 THR CA C 110 61.895 63.785 -1.890 1
1 1111 . 11 1 1 A 101 101 THR CB C 110 70.432 69.316 1.116 1
1 1113 . 11 1 1 A 101 101 THR N N 110 129.087 110.192 18.895 1
1 1114 . 11 1 1 A 102 102 GLY H H 111 8.921 8.147 0.774 1
1 1115 . 11 1 1 A 102 102 GLY HA2 H 111 4.337 3.764 0.573 1
1 1116 . 11 1 1 A 102 102 GLY HA3 H 111 3.563 3.771 -0.208 1
1 1117 . 11 1 1 A 102 102 GLY CA C 111 44.062 45.288 -1.226 1
1 1118 . 11 1 1 A 102 102 GLY N N 111 112.780 110.675 2.105 1
1 1119 . 11 1 1 A 103 103 TYR H H 112 8.255 8.026 0.229 1
1 1120 . 11 1 1 A 103 103 TYR HA H 112 4.574 5.425 -0.851 1
1 1127 . 11 1 1 A 103 103 TYR CA C 112 59.745 56.608 3.137 1
1 1128 . 11 1 1 A 103 103 TYR CB C 112 38.295 41.398 -3.103 1
1 1131 . 11 1 1 A 103 103 TYR N N 112 117.653 118.535 -0.882 1
1 1132 . 11 1 1 A 104 104 GLN H H 113 9.435 9.005 0.430 1
1 1133 . 11 1 1 A 104 104 GLN HA H 113 4.659 5.010 -0.351 1
1 1140 . 11 1 1 A 104 104 GLN CA C 113 53.852 54.373 -0.521 1
1 1141 . 11 1 1 A 104 104 GLN CB C 113 31.128 31.570 -0.442 1
1 1143 . 11 1 1 A 104 104 GLN N N 113 121.964 123.787 -1.823 1
1 1145 . 11 1 1 A 105 105 ARG H H 114 8.670 8.784 -0.114 1
1 1146 . 11 1 1 A 105 105 ARG HA H 114 4.838 5.120 -0.282 1
1 1151 . 11 1 1 A 105 105 ARG CA C 114 55.090 54.998 0.092 1
1 1152 . 11 1 1 A 105 105 ARG CB C 114 31.401 31.081 0.320 1
1 1155 . 11 1 1 A 105 105 ARG N N 114 122.246 124.281 -2.035 1
1 1156 . 11 1 1 A 106 106 LEU H H 115 9.269 8.947 0.322 1
1 1157 . 11 1 1 A 106 106 LEU HA H 115 4.843 4.779 0.064 1
1 1163 . 11 1 1 A 106 106 LEU CA C 115 53.317 53.886 -0.569 1
1 1164 . 11 1 1 A 106 106 LEU CB C 115 44.570 42.489 2.081 1
1 1166 . 11 1 1 A 106 106 LEU N N 115 126.088 125.945 0.143 1
1 1167 . 11 1 1 A 107 107 ASP H H 116 8.582 8.725 -0.143 1
1 1168 . 11 1 1 A 107 107 ASP HA H 116 4.748 4.690 0.058 1
1 1171 . 11 1 1 A 107 107 ASP CA C 116 55.402 54.471 0.931 1
1 1172 . 11 1 1 A 107 107 ASP CB C 116 41.280 41.219 0.061 1
1 1173 . 11 1 1 A 107 107 ASP N N 116 122.714 125.136 -2.422 1
1 1174 . 11 1 1 A 108 108 LEU H H 117 8.067 8.489 -0.422 1
1 1175 . 11 1 1 A 108 108 LEU HA H 117 4.195 4.479 -0.284 1
1 1185 . 11 1 1 A 108 108 LEU CA C 117 55.308 54.804 0.504 1
1 1186 . 11 1 1 A 108 108 LEU CB C 117 42.871 41.829 1.042 1
1 1190 . 11 1 1 A 108 108 LEU N N 117 121.121 124.913 -3.792 1
1 1191 . 11 1 1 A 109 109 CYS H H 118 9.705 8.558 1.147 1
1 1192 . 11 1 1 A 109 109 CYS HA H 118 4.839 4.682 0.157 1
1 1195 . 11 1 1 A 109 109 CYS CA C 118 57.979 57.877 0.102 1
1 1196 . 11 1 1 A 109 109 CYS CB C 118 31.953 31.752 0.201 1
1 1197 . 11 1 1 A 109 109 CYS N N 118 118.403 122.437 -4.034 1
1 1198 . 11 1 1 A 110 110 LYS H H 119 8.419 8.200 0.219 1
1 1199 . 11 1 1 A 110 110 LYS HA H 119 4.426 4.414 0.012 1
1 1207 . 11 1 1 A 110 110 LYS CA C 119 56.957 56.603 0.354 1
1 1208 . 11 1 1 A 110 110 LYS CB C 119 34.386 33.069 1.317 1
1 1212 . 11 1 1 A 110 110 LYS N N 119 120.090 121.146 -1.056 1
1 1213 . 11 1 1 A 111 111 LEU H H 120 9.016 8.897 0.119 1
1 1214 . 11 1 1 A 111 111 LEU HA H 120 4.054 4.217 -0.163 1
1 1223 . 11 1 1 A 111 111 LEU CA C 120 57.694 57.635 0.059 1
1 1224 . 11 1 1 A 111 111 LEU CB C 120 43.062 42.822 0.240 1
1 1227 . 11 1 1 A 111 111 LEU N N 120 123.089 122.712 0.377 1
1 1228 . 11 1 1 A 112 112 GLY H H 121 7.578 7.964 -0.386 1
1 1229 . 11 1 1 A 112 112 GLY HA2 H 121 4.320 4.265 0.055 1
1 1230 . 11 1 1 A 112 112 GLY HA3 H 121 3.863 4.268 -0.405 1
1 1231 . 11 1 1 A 112 112 GLY CA C 121 44.644 44.081 0.563 1
1 1232 . 11 1 1 A 112 112 GLY N N 121 105.939 104.781 1.158 1
1 1233 . 11 1 1 A 113 113 PRO HA H 122 4.365 4.378 -0.013 1
1 1240 . 11 1 1 A 113 113 PRO CA C 122 64.692 64.955 -0.263 1
1 1241 . 11 1 1 A 113 113 PRO CB C 122 32.663 31.810 0.853 1
1 1244 . 11 1 1 A 114 114 ASN H H 123 8.603 8.844 -0.241 1
1 1245 . 11 1 1 A 114 114 ASN HA H 123 4.899 4.707 0.192 1
1 1250 . 11 1 1 A 114 114 ASN CA C 123 52.944 53.088 -0.144 1
1 1251 . 11 1 1 A 114 114 ASN CB C 123 39.041 37.291 1.750 1
1 1252 . 11 1 1 A 114 114 ASN N N 123 115.591 114.732 0.859 1
1 1254 . 11 1 1 A 115 115 ASP H H 124 7.507 7.982 -0.475 1
1 1255 . 11 1 1 A 115 115 ASP HA H 124 4.507 4.916 -0.409 1
1 1258 . 11 1 1 A 115 115 ASP CA C 124 54.843 53.219 1.624 1
1 1259 . 11 1 1 A 115 115 ASP CB C 124 41.620 41.724 -0.104 1
1 1260 . 11 1 1 A 115 115 ASP N N 124 121.215 119.303 1.912 1
1 1261 . 11 1 1 A 116 116 ASN H H 125 8.741 7.619 1.122 1
1 1262 . 11 1 1 A 116 116 ASN HA H 125 4.823 4.680 0.143 1
1 1267 . 11 1 1 A 116 116 ASN CA C 125 53.447 53.432 0.015 1
1 1268 . 11 1 1 A 116 116 ASN CB C 125 43.830 38.151 5.679 1
1 1269 . 11 1 1 A 116 116 ASN N N 125 120.137 117.834 2.303 1
1 1271 . 11 1 1 A 117 117 ASP H H 126 8.039 8.688 -0.649 1
1 1272 . 11 1 1 A 117 117 ASP HA H 126 4.745 5.017 -0.272 1
1 1274 . 11 1 1 A 117 117 ASP CA C 126 54.436 52.785 1.651 1
1 1275 . 11 1 1 A 117 117 ASP CB C 126 42.046 39.681 2.365 1
1 1276 . 11 1 1 A 117 117 ASP N N 126 120.746 125.826 -5.080 1
1 1277 . 11 1 1 A 118 118 THR H H 127 8.361 8.050 0.311 1
1 1278 . 11 1 1 A 118 118 THR HA H 127 4.331 3.980 0.351 1
1 1283 . 11 1 1 A 118 118 THR CA C 127 62.454 62.820 -0.366 1
1 1284 . 11 1 1 A 118 118 THR CB C 127 70.191 66.371 3.820 1
1 1286 . 11 1 1 A 118 118 THR N N 127 116.903 110.596 6.307 1
1 1287 . 11 1 1 A 119 119 VAL H H 128 8.152 7.852 0.300 1
1 1288 . 11 1 1 A 119 119 VAL HA H 128 4.172 4.791 -0.619 1
1 1296 . 11 1 1 A 119 119 VAL CA C 128 61.051 59.564 1.487 1
1 1297 . 11 1 1 A 119 119 VAL CB C 128 35.124 35.480 -0.356 1
1 1300 . 11 1 1 A 119 119 VAL N N 128 119.903 121.621 -1.718 1
1 1301 . 11 1 1 A 120 120 ARG H H 129 7.884 8.576 -0.692 1
1 1302 . 11 1 1 A 120 120 ARG HA H 129 4.719 4.792 -0.073 1
1 1307 . 11 1 1 A 120 120 ARG CA C 129 55.555 55.717 -0.162 1
1 1308 . 11 1 1 A 120 120 ARG CB C 129 34.945 32.687 2.258 1
1 1311 . 11 1 1 A 120 120 ARG N N 129 122.621 125.470 -2.849 1
1 1312 . 11 1 1 A 121 121 GLY H H 130 8.289 8.047 0.242 1
1 1313 . 11 1 1 A 121 121 GLY HA2 H 130 4.605 4.119 0.486 1
1 1314 . 11 1 1 A 121 121 GLY HA3 H 130 3.803 4.134 -0.331 1
1 1315 . 11 1 1 A 121 121 GLY CA C 130 45.756 45.646 0.110 1
1 1316 . 11 1 1 A 121 121 GLY N N 130 107.626 112.717 -5.091 1
1 1317 . 11 1 1 A 122 122 GLN H H 131 8.408 8.828 -0.420 1
1 1318 . 11 1 1 A 122 122 GLN HA H 131 5.434 5.251 0.183 1
1 1323 . 11 1 1 A 122 122 GLN CA C 131 54.809 54.123 0.686 1
1 1324 . 11 1 1 A 122 122 GLN CB C 131 34.756 33.509 1.247 1
1 1326 . 11 1 1 A 122 122 GLN N N 131 114.654 117.888 -3.234 1
1 1328 . 11 1 1 A 123 123 ILE H H 132 9.273 8.451 0.822 1
1 1329 . 11 1 1 A 123 123 ILE HA H 132 5.207 4.642 0.565 1
1 1339 . 11 1 1 A 123 123 ILE CA C 132 59.284 60.349 -1.065 1
1 1340 . 11 1 1 A 123 123 ILE CB C 132 44.085 41.918 2.167 1
1 1344 . 11 1 1 A 123 123 ILE N N 132 118.216 121.727 -3.511 1
1 1345 . 11 1 1 A 124 124 VAL H H 133 8.750 9.152 -0.402 1
1 1346 . 11 1 1 A 124 124 VAL HA H 133 5.338 4.655 0.683 1
1 1354 . 11 1 1 A 124 124 VAL CA C 133 61.611 61.761 -0.150 1
1 1355 . 11 1 1 A 124 124 VAL CB C 133 32.620 32.544 0.076 1
1 1358 . 11 1 1 A 124 124 VAL N N 133 126.088 129.849 -3.761 1
1 1359 . 11 1 1 A 125 125 VAL H H 134 8.698 9.254 -0.556 1
1 1360 . 11 1 1 A 125 125 VAL HA H 134 5.859 5.568 0.291 1
1 1368 . 11 1 1 A 125 125 VAL CA C 134 57.880 59.535 -1.655 1
1 1369 . 11 1 1 A 125 125 VAL CB C 134 36.990 35.941 1.049 1
1 1372 . 11 1 1 A 125 125 VAL N N 134 117.895 121.819 -3.924 1
1 1373 . 11 1 1 A 126 126 SER H H 135 8.746 8.798 -0.052 1
1 1374 . 11 1 1 A 126 126 SER HA H 135 4.881 5.351 -0.470 1
1 1377 . 11 1 1 A 126 126 SER CA C 135 56.860 56.822 0.038 1
1 1378 . 11 1 1 A 126 126 SER CB C 135 66.695 65.834 0.861 1
1 1379 . 11 1 1 A 126 126 SER N N 135 112.967 114.666 -1.699 1
1 1380 . 11 1 1 A 127 127 LEU H H 136 9.710 9.033 0.677 1
1 1381 . 11 1 1 A 127 127 LEU HA H 136 5.244 4.980 0.264 1
1 1390 . 11 1 1 A 127 127 LEU CA C 136 54.436 53.484 0.952 1
1 1391 . 11 1 1 A 127 127 LEU CB C 136 46.137 42.432 3.705 1
1 1395 . 11 1 1 A 127 127 LEU N N 136 125.760 126.756 -0.996 1
1 1396 . 11 1 1 A 128 128 GLN H H 137 9.256 8.367 0.889 1
1 1397 . 11 1 1 A 128 128 GLN HA H 137 5.128 5.693 -0.565 1
1 1404 . 11 1 1 A 128 128 GLN CA C 137 54.063 54.607 -0.544 1
1 1405 . 11 1 1 A 128 128 GLN CB C 137 34.063 32.494 1.569 1
1 1407 . 11 1 1 A 128 128 GLN N N 137 125.526 126.009 -0.483 1
1 1409 . 11 1 1 A 129 129 SER H H 138 8.222 8.645 -0.423 1
1 1410 . 11 1 1 A 129 129 SER HA H 138 4.476 4.536 -0.060 1
1 1413 . 11 1 1 A 129 129 SER CA C 138 60.814 58.085 2.729 1
1 1414 . 11 1 1 A 129 129 SER CB C 138 63.116 63.428 -0.312 1
1 1415 . 11 1 1 A 129 129 SER N N 138 125.620 119.816 5.804 1
1 1416 . 11 1 1 A 130 130 ARG H H 139 8.032 8.525 -0.493 1
1 1417 . 11 1 1 A 130 130 ARG HA H 139 4.601 4.386 0.215 1
1 1424 . 11 1 1 A 130 130 ARG CA C 139 53.934 55.794 -1.860 1
1 1425 . 11 1 1 A 130 130 ARG CB C 139 32.334 31.115 1.219 1
1 1428 . 11 1 1 A 130 130 ARG N N 139 123.136 124.749 -1.613 1
1 6 . 12 1 1 A 2 2 PRO HA H 11 4.498 4.607 -0.109 1
1 11 . 12 1 1 A 2 2 PRO CA C 11 63.103 62.811 0.292 1
1 12 . 12 1 1 A 2 2 PRO CB C 11 32.993 32.802 0.191 1
1 15 . 12 1 1 A 3 3 VAL H H 12 8.356 8.184 0.172 1
1 16 . 12 1 1 A 3 3 VAL HA H 12 4.370 4.635 -0.265 1
1 24 . 12 1 1 A 3 3 VAL CA C 12 60.982 60.020 0.962 1
1 25 . 12 1 1 A 3 3 VAL CB C 12 34.005 34.006 -0.001 1
1 28 . 12 1 1 A 3 3 VAL N N 12 119.528 120.823 -1.295 1
1 29 . 12 1 1 A 4 4 LYS H H 13 8.542 9.081 -0.539 1
1 30 . 12 1 1 A 4 4 LYS HA H 13 4.752 4.826 -0.074 1
1 38 . 12 1 1 A 4 4 LYS CA C 13 55.339 55.240 0.099 1
1 39 . 12 1 1 A 4 4 LYS CB C 13 33.640 34.046 -0.406 1
1 43 . 12 1 1 A 4 4 LYS N N 13 125.901 129.742 -3.841 1
1 44 . 12 1 1 A 5 5 LEU H H 14 8.887 8.757 0.130 1
1 45 . 12 1 1 A 5 5 LEU HA H 14 4.927 5.196 -0.269 1
1 51 . 12 1 1 A 5 5 LEU CA C 14 52.944 53.346 -0.402 1
1 52 . 12 1 1 A 5 5 LEU CB C 14 47.069 45.526 1.543 1
1 54 . 12 1 1 A 5 5 LEU N N 14 126.276 128.958 -2.682 1
1 55 . 12 1 1 A 6 6 ARG H H 15 9.361 8.646 0.715 1
1 56 . 12 1 1 A 6 6 ARG HA H 15 5.205 5.314 -0.109 1
1 61 . 12 1 1 A 6 6 ARG CA C 15 55.064 54.966 0.098 1
1 62 . 12 1 1 A 6 6 ARG CB C 15 31.979 31.894 0.085 1
1 64 . 12 1 1 A 6 6 ARG N N 15 123.745 125.519 -1.774 1
1 65 . 12 1 1 A 7 7 LEU H H 16 9.694 8.885 0.809 1
1 66 . 12 1 1 A 7 7 LEU HA H 16 5.437 5.019 0.418 1
1 73 . 12 1 1 A 7 7 LEU CA C 16 53.777 53.668 0.109 1
1 74 . 12 1 1 A 7 7 LEU CB C 16 45.577 44.019 1.558 1
1 77 . 12 1 1 A 7 7 LEU N N 16 111.467 126.521 -15.054 1
1 78 . 12 1 1 A 8 8 THR H H 17 9.470 9.172 0.298 1
1 79 . 12 1 1 A 8 8 THR HA H 17 4.904 4.947 -0.043 1
1 84 . 12 1 1 A 8 8 THR CA C 17 62.827 62.294 0.533 1
1 85 . 12 1 1 A 8 8 THR CB C 17 69.540 69.155 0.385 1
1 87 . 12 1 1 A 8 8 THR N N 17 124.589 124.074 0.515 1
1 88 . 12 1 1 A 9 9 VAL H H 18 9.339 9.428 -0.089 1
1 89 . 12 1 1 A 9 9 VAL HA H 18 4.374 4.259 0.115 1
1 97 . 12 1 1 A 9 9 VAL CA C 18 61.708 62.948 -1.240 1
1 98 . 12 1 1 A 9 9 VAL CB C 18 31.021 30.781 0.240 1
1 101 . 12 1 1 A 9 9 VAL N N 18 127.963 128.061 -0.098 1
1 102 . 12 1 1 A 10 10 LEU H H 19 8.957 8.567 0.390 1
1 103 . 12 1 1 A 10 10 LEU HA H 19 4.334 4.272 0.062 1
1 113 . 12 1 1 A 10 10 LEU CA C 19 59.232 57.554 1.678 1
1 114 . 12 1 1 A 10 10 LEU CB C 19 43.525 42.871 0.654 1
1 118 . 12 1 1 A 10 10 LEU N N 19 127.775 129.664 -1.889 1
1 119 . 12 1 1 A 11 11 CYS H H 20 8.038 7.539 0.499 1
1 120 . 12 1 1 A 11 11 CYS HA H 20 5.152 4.606 0.546 1
1 123 . 12 1 1 A 11 11 CYS CA C 20 55.928 57.278 -1.350 1
1 124 . 12 1 1 A 11 11 CYS CB C 20 30.655 30.158 0.497 1
1 125 . 12 1 1 A 11 11 CYS N N 20 109.968 113.611 -3.643 1
1 126 . 12 1 1 A 12 12 ALA H H 21 8.485 8.478 0.007 1
1 127 . 12 1 1 A 12 12 ALA HA H 21 5.397 5.408 -0.011 1
1 131 . 12 1 1 A 12 12 ALA CA C 21 50.707 50.557 0.150 1
1 132 . 12 1 1 A 12 12 ALA CB C 21 22.550 23.303 -0.753 1
1 133 . 12 1 1 A 12 12 ALA N N 21 119.247 123.494 -4.247 1
1 134 . 12 1 1 A 13 13 LYS H H 22 8.905 8.818 0.087 1
1 135 . 12 1 1 A 13 13 LYS HA H 22 5.144 4.711 0.433 1
1 141 . 12 1 1 A 13 13 LYS CA C 22 54.063 54.798 -0.735 1
1 142 . 12 1 1 A 13 13 LYS CB C 22 37.217 36.088 1.129 1
1 146 . 12 1 1 A 13 13 LYS N N 22 117.934 119.298 -1.364 1
1 147 . 12 1 1 A 14 14 ASN H H 23 9.099 8.937 0.162 1
1 148 . 12 1 1 A 14 14 ASN HA H 23 4.187 4.274 -0.087 1
1 153 . 12 1 1 A 14 14 ASN CA C 23 53.735 53.831 -0.096 1
1 154 . 12 1 1 A 14 14 ASN CB C 23 37.736 36.989 0.747 1
1 155 . 12 1 1 A 14 14 ASN N N 23 118.684 118.253 0.431 1
1 157 . 12 1 1 A 15 15 LEU H H 24 8.294 8.025 0.269 1
1 158 . 12 1 1 A 15 15 LEU HA H 24 5.161 4.248 0.913 1
1 165 . 12 1 1 A 15 15 LEU CA C 24 55.261 54.931 0.330 1
1 166 . 12 1 1 A 15 15 LEU CB C 24 42.966 41.750 1.216 1
1 169 . 12 1 1 A 15 15 LEU N N 24 114.373 120.422 -6.049 1
1 170 . 12 1 1 A 16 16 VAL H H 25 8.533 8.504 0.029 1
1 171 . 12 1 1 A 16 16 VAL HA H 25 3.635 3.981 -0.346 1
1 179 . 12 1 1 A 16 16 VAL CA C 25 62.318 63.319 -1.001 1
1 180 . 12 1 1 A 16 16 VAL CB C 25 33.064 31.998 1.066 1
1 183 . 12 1 1 A 16 16 VAL N N 25 119.200 125.275 -6.075 1
1 184 . 12 1 1 A 17 17 LYS H H 26 7.950 8.335 -0.385 1
1 185 . 12 1 1 A 17 17 LYS HA H 26 4.302 4.229 0.073 1
1 192 . 12 1 1 A 17 17 LYS CA C 26 54.150 56.753 -2.603 1
1 193 . 12 1 1 A 17 17 LYS CB C 26 33.826 31.729 2.097 1
1 197 . 12 1 1 A 17 17 LYS N N 26 128.056 125.944 2.112 1
1 198 . 12 1 1 A 18 18 LYS H H 27 8.549 7.850 0.699 1
1 199 . 12 1 1 A 18 18 LYS HA H 27 4.078 3.831 0.247 1
1 207 . 12 1 1 A 18 18 LYS CA C 27 58.626 58.578 0.048 1
1 208 . 12 1 1 A 18 18 LYS CB C 27 33.826 31.036 2.790 1
1 211 . 12 1 1 A 18 18 LYS N N 27 125.760 114.104 11.656 1
1 212 . 12 1 1 A 19 19 ASP H H 28 8.438 8.414 0.024 1
1 213 . 12 1 1 A 19 19 ASP HA H 28 4.801 4.800 0.001 1
1 216 . 12 1 1 A 19 19 ASP CA C 28 52.964 53.898 -0.934 1
1 217 . 12 1 1 A 19 19 ASP CB C 28 43.518 42.276 1.242 1
1 218 . 12 1 1 A 19 19 ASP N N 28 119.247 118.637 0.610 1
1 219 . 12 1 1 A 20 20 PHE H H 29 8.506 8.606 -0.100 1
1 220 . 12 1 1 A 20 20 PHE HA H 29 4.049 4.107 -0.058 1
1 227 . 12 1 1 A 20 20 PHE CA C 29 60.767 60.733 0.034 1
1 228 . 12 1 1 A 20 20 PHE CB C 29 39.305 39.286 0.019 1
1 231 . 12 1 1 A 20 20 PHE N N 29 122.011 122.280 -0.269 1
1 232 . 12 1 1 A 21 21 PHE H H 30 8.350 8.445 -0.095 1
1 233 . 12 1 1 A 21 21 PHE HA H 30 4.677 4.219 0.458 1
1 240 . 12 1 1 A 21 21 PHE CA C 30 57.789 61.708 -3.919 1
1 241 . 12 1 1 A 21 21 PHE CB C 30 40.824 39.200 1.624 1
1 244 . 12 1 1 A 21 21 PHE N N 30 113.764 118.249 -4.485 1
1 245 . 12 1 1 A 22 22 ARG H H 31 7.631 8.051 -0.420 1
1 246 . 12 1 1 A 22 22 ARG HA H 31 4.614 4.913 -0.299 1
1 252 . 12 1 1 A 22 22 ARG CA C 31 55.325 54.508 0.817 1
1 253 . 12 1 1 A 22 22 ARG CB C 31 33.640 32.450 1.190 1
1 256 . 12 1 1 A 22 22 ARG N N 31 118.778 117.892 0.886 1
1 257 . 12 1 1 A 23 23 LEU H H 32 8.699 8.588 0.111 1
1 258 . 12 1 1 A 23 23 LEU HA H 32 4.509 4.885 -0.376 1
1 268 . 12 1 1 A 23 23 LEU CA C 32 52.758 51.184 1.574 1
1 269 . 12 1 1 A 23 23 LEU CB C 32 42.593 45.800 -3.207 1
1 273 . 12 1 1 A 23 23 LEU N N 32 123.464 121.513 1.951 1
1 274 . 12 1 1 A 24 24 PRO HA H 33 4.648 5.175 -0.527 1
1 281 . 12 1 1 A 24 24 PRO CA C 33 62.753 62.103 0.650 1
1 282 . 12 1 1 A 24 24 PRO CB C 33 33.965 32.609 1.356 1
1 285 . 12 1 1 A 25 25 ASP H H 34 7.463 8.664 -1.201 1
1 286 . 12 1 1 A 25 25 ASP HA H 34 6.052 5.685 0.367 1
1 289 . 12 1 1 A 25 25 ASP CA C 34 51.080 51.807 -0.727 1
1 290 . 12 1 1 A 25 25 ASP CB C 34 42.779 41.695 1.084 1
1 291 . 12 1 1 A 25 25 ASP N N 34 117.091 121.562 -4.471 1
1 292 . 12 1 1 A 26 26 PRO HA H 35 5.968 5.047 0.921 1
1 299 . 12 1 1 A 26 26 PRO CA C 35 62.827 62.920 -0.093 1
1 300 . 12 1 1 A 26 26 PRO CB C 35 35.132 32.908 2.224 1
1 303 . 12 1 1 A 27 27 PHE H H 36 9.284 8.764 0.520 1
1 304 . 12 1 1 A 27 27 PHE HA H 36 5.009 5.291 -0.282 1
1 312 . 12 1 1 A 27 27 PHE CA C 36 56.301 56.014 0.287 1
1 313 . 12 1 1 A 27 27 PHE CB C 36 42.689 41.282 1.407 1
1 317 . 12 1 1 A 27 27 PHE N N 36 120.090 118.655 1.435 1
1 318 . 12 1 1 A 28 28 ALA H H 37 8.408 8.584 -0.176 1
1 319 . 12 1 1 A 28 28 ALA HA H 37 5.481 5.081 0.400 1
1 323 . 12 1 1 A 28 28 ALA CA C 37 49.186 49.952 -0.766 1
1 324 . 12 1 1 A 28 28 ALA CB C 37 20.389 22.930 -2.541 1
1 325 . 12 1 1 A 28 28 ALA N N 37 122.433 121.270 1.163 1
1 326 . 12 1 1 A 29 29 LYS H H 38 9.617 8.823 0.794 1
1 327 . 12 1 1 A 29 29 LYS HA H 38 5.267 5.488 -0.221 1
1 335 . 12 1 1 A 29 29 LYS CA C 38 54.901 54.777 0.124 1
1 336 . 12 1 1 A 29 29 LYS CB C 38 36.624 36.599 0.025 1
1 340 . 12 1 1 A 29 29 LYS N N 38 121.964 118.450 3.514 1
1 341 . 12 1 1 A 30 30 VAL H H 39 9.159 8.642 0.517 1
1 342 . 12 1 1 A 30 30 VAL HA H 39 4.494 4.921 -0.427 1
1 350 . 12 1 1 A 30 30 VAL CA C 39 61.335 60.751 0.584 1
1 351 . 12 1 1 A 30 30 VAL CB C 39 34.954 34.432 0.522 1
1 354 . 12 1 1 A 30 30 VAL N N 39 124.497 121.642 2.855 1
1 355 . 12 1 1 A 31 31 VAL H H 40 8.659 8.608 0.051 1
1 356 . 12 1 1 A 31 31 VAL HA H 40 5.091 4.847 0.244 1
1 364 . 12 1 1 A 31 31 VAL CA C 40 59.898 59.647 0.251 1
1 365 . 12 1 1 A 31 31 VAL CB C 40 36.959 35.739 1.220 1
1 368 . 12 1 1 A 31 31 VAL N N 40 124.589 120.734 3.855 1
1 369 . 12 1 1 A 32 32 VAL H H 41 7.786 8.836 -1.050 1
1 370 . 12 1 1 A 32 32 VAL HA H 41 4.660 4.573 0.087 1
1 378 . 12 1 1 A 32 32 VAL CA C 41 62.268 61.115 1.153 1
1 379 . 12 1 1 A 32 32 VAL CB C 41 30.995 32.211 -1.216 1
1 382 . 12 1 1 A 32 32 VAL N N 41 125.385 125.860 -0.475 1
1 383 . 12 1 1 A 33 33 ASP H H 42 8.568 8.353 0.215 1
1 384 . 12 1 1 A 33 33 ASP HA H 42 4.310 4.504 -0.194 1
1 386 . 12 1 1 A 33 33 ASP CA C 42 57.321 54.550 2.771 1
1 387 . 12 1 1 A 33 33 ASP CB C 42 40.727 40.243 0.484 1
1 388 . 12 1 1 A 33 33 ASP N N 42 130.868 128.443 2.425 1
1 389 . 12 1 1 A 34 34 GLY HA2 H 43 4.230 4.083 0.147 1
1 390 . 12 1 1 A 34 34 GLY HA3 H 43 3.818 4.089 -0.271 1
1 391 . 12 1 1 A 34 34 GLY CA C 43 46.510 45.399 1.111 1
1 392 . 12 1 1 A 35 35 SER H H 44 8.049 7.971 0.078 1
1 393 . 12 1 1 A 35 35 SER HA H 44 4.928 4.975 -0.047 1
1 396 . 12 1 1 A 35 35 SER CA C 44 58.067 57.444 0.623 1
1 397 . 12 1 1 A 35 35 SER CB C 44 67.393 66.773 0.620 1
1 398 . 12 1 1 A 35 35 SER N N 44 115.029 115.704 -0.675 1
1 399 . 12 1 1 A 36 36 GLY H H 45 8.637 8.406 0.231 1
1 400 . 12 1 1 A 36 36 GLY HA2 H 45 4.338 4.000 0.338 1
1 401 . 12 1 1 A 36 36 GLY HA3 H 45 3.884 4.000 -0.116 1
1 402 . 12 1 1 A 36 36 GLY CA C 45 46.137 45.744 0.393 1
1 403 . 12 1 1 A 36 36 GLY N N 45 109.265 111.348 -2.083 1
1 404 . 12 1 1 A 37 37 GLN H H 46 8.329 7.610 0.719 1
1 405 . 12 1 1 A 37 37 GLN HA H 46 4.339 4.589 -0.250 1
1 412 . 12 1 1 A 37 37 GLN CA C 46 56.002 55.462 0.540 1
1 413 . 12 1 1 A 37 37 GLN CB C 46 30.241 29.453 0.788 1
1 415 . 12 1 1 A 37 37 GLN N N 46 120.699 119.057 1.642 1
1 417 . 12 1 1 A 38 38 CYS H H 47 7.787 8.936 -1.149 1
1 418 . 12 1 1 A 38 38 CYS HA H 47 5.257 5.844 -0.587 1
1 420 . 12 1 1 A 38 38 CYS CA C 47 56.761 56.934 -0.173 1
1 421 . 12 1 1 A 38 38 CYS CB C 47 29.250 31.007 -1.757 1
1 422 . 12 1 1 A 38 38 CYS N N 47 124.214 124.530 -0.316 1
1 423 . 12 1 1 A 39 39 HIS H H 48 8.906 8.521 0.385 1
1 424 . 12 1 1 A 39 39 HIS HA H 48 4.730 5.017 -0.287 1
1 428 . 12 1 1 A 39 39 HIS CA C 48 54.888 54.232 0.656 1
1 429 . 12 1 1 A 39 39 HIS CB C 48 34.688 34.407 0.281 1
1 431 . 12 1 1 A 39 39 HIS N N 48 125.807 121.679 4.128 1
1 432 . 12 1 1 A 40 40 SER H H 49 8.728 8.758 -0.030 1
1 433 . 12 1 1 A 40 40 SER HA H 49 5.732 5.320 0.412 1
1 436 . 12 1 1 A 40 40 SER CA C 49 57.041 57.274 -0.233 1
1 437 . 12 1 1 A 40 40 SER CB C 49 66.274 66.455 -0.181 1
1 438 . 12 1 1 A 40 40 SER N N 49 116.034 114.327 1.707 1
1 439 . 12 1 1 A 41 41 THR H H 50 9.212 8.887 0.325 1
1 440 . 12 1 1 A 41 41 THR HA H 50 4.477 5.012 -0.535 1
1 445 . 12 1 1 A 41 41 THR CA C 50 61.457 59.963 1.494 1
1 446 . 12 1 1 A 41 41 THR CB C 50 72.337 70.589 1.748 1
1 448 . 12 1 1 A 41 41 THR N N 50 115.404 112.665 2.739 1
1 449 . 12 1 1 A 42 42 ASP H H 51 9.424 8.653 0.771 1
1 450 . 12 1 1 A 42 42 ASP HA H 51 4.676 4.531 0.145 1
1 453 . 12 1 1 A 42 42 ASP CA C 51 54.996 55.101 -0.105 1
1 454 . 12 1 1 A 42 42 ASP CB C 51 41.543 41.583 -0.040 1
1 455 . 12 1 1 A 42 42 ASP N N 51 119.340 123.249 -3.909 1
1 456 . 12 1 1 A 43 43 THR H H 52 8.650 8.599 0.051 1
1 457 . 12 1 1 A 43 43 THR HA H 52 4.858 5.102 -0.244 1
1 462 . 12 1 1 A 43 43 THR CA C 52 62.637 62.376 0.261 1
1 463 . 12 1 1 A 43 43 THR CB C 52 70.191 70.091 0.100 1
1 465 . 12 1 1 A 43 43 THR N N 52 117.836 117.491 0.345 1
1 466 . 12 1 1 A 44 44 VAL H H 53 8.266 9.452 -1.186 1
1 467 . 12 1 1 A 44 44 VAL HA H 53 4.363 4.530 -0.167 1
1 475 . 12 1 1 A 44 44 VAL CA C 53 61.086 61.367 -0.281 1
1 476 . 12 1 1 A 44 44 VAL CB C 53 33.361 33.567 -0.206 1
1 479 . 12 1 1 A 44 44 VAL N N 53 127.775 126.834 0.941 1
1 480 . 12 1 1 A 45 45 LYS H H 54 8.163 8.673 -0.510 1
1 481 . 12 1 1 A 45 45 LYS HA H 54 4.229 4.776 -0.547 1
1 487 . 12 1 1 A 45 45 LYS CA C 54 56.627 54.862 1.765 1
1 488 . 12 1 1 A 45 45 LYS CB C 54 33.739 33.809 -0.070 1
1 492 . 12 1 1 A 45 45 LYS N N 54 120.934 125.306 -4.372 1
1 493 . 12 1 1 A 46 46 ASN H H 55 9.642 8.755 0.887 1
1 494 . 12 1 1 A 46 46 ASN HA H 55 4.150 4.499 -0.349 1
1 499 . 12 1 1 A 46 46 ASN CA C 55 54.029 53.840 0.189 1
1 500 . 12 1 1 A 46 46 ASN CB C 55 38.668 36.218 2.450 1
1 501 . 12 1 1 A 46 46 ASN N N 55 121.215 121.845 -0.630 1
1 503 . 12 1 1 A 47 47 THR H H 56 8.246 7.944 0.302 1
1 504 . 12 1 1 A 47 47 THR HA H 56 4.661 4.811 -0.150 1
1 509 . 12 1 1 A 47 47 THR CA C 56 60.963 60.420 0.543 1
1 510 . 12 1 1 A 47 47 THR CB C 56 68.512 69.929 -1.417 1
1 512 . 12 1 1 A 47 47 THR N N 56 111.936 116.936 -5.000 1
1 513 . 12 1 1 A 48 48 LEU H H 57 8.245 8.463 -0.218 1
1 514 . 12 1 1 A 48 48 LEU HA H 57 4.410 4.583 -0.173 1
1 524 . 12 1 1 A 48 48 LEU CA C 57 53.641 53.730 -0.089 1
1 525 . 12 1 1 A 48 48 LEU CB C 57 41.570 41.764 -0.194 1
1 529 . 12 1 1 A 48 48 LEU N N 57 122.433 124.399 -1.966 1
1 530 . 12 1 1 A 49 49 ASP H H 58 8.544 7.889 0.655 1
1 531 . 12 1 1 A 49 49 ASP HA H 58 5.419 5.162 0.257 1
1 534 . 12 1 1 A 49 49 ASP CA C 58 51.826 51.781 0.045 1
1 535 . 12 1 1 A 49 49 ASP CB C 58 44.085 40.523 3.562 1
1 536 . 12 1 1 A 49 49 ASP N N 58 116.903 117.415 -0.512 1
1 537 . 12 1 1 A 50 50 PRO HA H 59 3.790 4.497 -0.707 1
1 543 . 12 1 1 A 50 50 PRO CA C 59 63.219 62.041 1.178 1
1 544 . 12 1 1 A 50 50 PRO CB C 59 32.661 32.743 -0.082 1
1 547 . 12 1 1 A 51 51 LYS H H 60 7.806 8.040 -0.234 1
1 548 . 12 1 1 A 51 51 LYS HA H 60 4.224 4.748 -0.524 1
1 555 . 12 1 1 A 51 51 LYS CA C 60 55.521 54.337 1.184 1
1 556 . 12 1 1 A 51 51 LYS CB C 60 33.826 36.508 -2.682 1
1 560 . 12 1 1 A 51 51 LYS N N 60 119.996 116.747 3.249 1
1 561 . 12 1 1 A 52 52 TRP H H 61 7.791 8.263 -0.472 1
1 562 . 12 1 1 A 52 52 TRP HA H 61 4.824 4.900 -0.076 1
1 570 . 12 1 1 A 52 52 TRP CA C 61 60.590 57.591 2.999 1
1 571 . 12 1 1 A 52 52 TRP CB C 61 29.715 31.630 -1.915 1
1 576 . 12 1 1 A 52 52 TRP N N 61 122.386 119.489 2.897 1
1 578 . 12 1 1 A 53 53 ASN H H 62 9.040 8.111 0.929 1
1 579 . 12 1 1 A 53 53 ASN HA H 62 4.419 4.425 -0.006 1
1 584 . 12 1 1 A 53 53 ASN CA C 62 53.789 54.136 -0.347 1
1 585 . 12 1 1 A 53 53 ASN CB C 62 37.922 37.307 0.615 1
1 586 . 12 1 1 A 53 53 ASN N N 62 117.185 118.500 -1.315 1
1 588 . 12 1 1 A 54 54 GLN H H 63 7.512 7.300 0.212 1
1 589 . 12 1 1 A 54 54 GLN HA H 63 4.584 4.674 -0.090 1
1 596 . 12 1 1 A 54 54 GLN CA C 63 55.008 54.383 0.625 1
1 597 . 12 1 1 A 54 54 GLN CB C 63 34.938 31.205 3.733 1
1 599 . 12 1 1 A 54 54 GLN N N 63 116.341 117.406 -1.065 1
1 601 . 12 1 1 A 55 55 HIS H H 64 7.782 7.974 -0.192 1
1 602 . 12 1 1 A 55 55 HIS HA H 64 5.796 6.168 -0.372 1
1 606 . 12 1 1 A 55 55 HIS CA C 64 53.059 53.307 -0.248 1
1 607 . 12 1 1 A 55 55 HIS CB C 64 34.378 33.383 0.995 1
1 609 . 12 1 1 A 55 55 HIS N N 64 118.403 117.684 0.719 1
1 610 . 12 1 1 A 56 56 TYR H H 65 8.657 8.766 -0.109 1
1 611 . 12 1 1 A 56 56 TYR HA H 65 4.404 4.843 -0.439 1
1 618 . 12 1 1 A 56 56 TYR CA C 65 57.430 56.359 1.071 1
1 619 . 12 1 1 A 56 56 TYR CB C 65 42.958 41.646 1.312 1
1 622 . 12 1 1 A 56 56 TYR N N 65 116.435 119.908 -3.473 1
1 623 . 12 1 1 A 57 57 ASP H H 66 8.772 8.819 -0.047 1
1 624 . 12 1 1 A 57 57 ASP HA H 66 5.283 5.143 0.140 1
1 627 . 12 1 1 A 57 57 ASP CA C 66 54.250 53.970 0.280 1
1 628 . 12 1 1 A 57 57 ASP CB C 66 40.914 41.829 -0.915 1
1 629 . 12 1 1 A 57 57 ASP N N 66 124.776 122.954 1.822 1
1 630 . 12 1 1 A 58 58 LEU H H 67 9.175 8.568 0.607 1
1 631 . 12 1 1 A 58 58 LEU HA H 67 4.589 4.757 -0.168 1
1 641 . 12 1 1 A 58 58 LEU CA C 67 53.131 53.663 -0.532 1
1 642 . 12 1 1 A 58 58 LEU CB C 67 45.060 45.355 -0.295 1
1 645 . 12 1 1 A 58 58 LEU N N 67 124.558 124.825 -0.267 1
1 646 . 12 1 1 A 59 59 TYR H H 68 8.877 8.617 0.260 1
1 647 . 12 1 1 A 59 59 TYR HA H 68 5.096 5.299 -0.203 1
1 654 . 12 1 1 A 59 59 TYR CA C 68 57.606 58.368 -0.762 1
1 655 . 12 1 1 A 59 59 TYR CB C 68 39.422 39.654 -0.232 1
1 658 . 12 1 1 A 59 59 TYR N N 68 121.215 122.679 -1.464 1
1 659 . 12 1 1 A 60 60 ILE H H 69 9.162 8.715 0.447 1
1 660 . 12 1 1 A 60 60 ILE HA H 69 4.551 4.708 -0.157 1
1 670 . 12 1 1 A 60 60 ILE CA C 69 59.471 59.936 -0.465 1
1 671 . 12 1 1 A 60 60 ILE CB C 69 40.500 39.865 0.635 1
1 675 . 12 1 1 A 60 60 ILE N N 69 124.823 123.913 0.910 1
1 676 . 12 1 1 A 61 61 GLY H H 70 9.960 8.806 1.154 1
1 677 . 12 1 1 A 61 61 GLY HA2 H 70 4.517 4.278 0.239 1
1 678 . 12 1 1 A 61 61 GLY HA3 H 70 3.881 4.279 -0.398 1
1 679 . 12 1 1 A 61 61 GLY CA C 70 44.083 44.084 -0.001 1
1 680 . 12 1 1 A 61 61 GLY N N 70 117.841 115.383 2.458 1
1 681 . 12 1 1 A 62 62 LYS H H 71 8.605 8.960 -0.355 1
1 682 . 12 1 1 A 62 62 LYS HA H 71 4.090 4.142 -0.052 1
1 687 . 12 1 1 A 62 62 LYS CA C 71 59.447 58.818 0.629 1
1 688 . 12 1 1 A 62 62 LYS CB C 71 33.453 32.086 1.367 1
1 692 . 12 1 1 A 62 62 LYS N N 71 119.434 123.455 -4.021 1
1 693 . 12 1 1 A 63 63 SER H H 72 8.544 8.312 0.232 1
1 694 . 12 1 1 A 63 63 SER HA H 72 4.811 4.683 0.128 1
1 696 . 12 1 1 A 63 63 SER CA C 72 57.606 56.986 0.620 1
1 697 . 12 1 1 A 63 63 SER CB C 72 64.013 63.990 0.023 1
1 698 . 12 1 1 A 63 63 SER N N 72 111.842 116.603 -4.761 1
1 699 . 12 1 1 A 64 64 ASP H H 73 7.247 7.640 -0.393 1
1 700 . 12 1 1 A 64 64 ASP HA H 73 4.867 4.685 0.182 1
1 702 . 12 1 1 A 64 64 ASP CA C 73 55.500 53.983 1.517 1
1 703 . 12 1 1 A 64 64 ASP CB C 73 43.331 42.037 1.294 1
1 704 . 12 1 1 A 64 64 ASP N N 73 121.964 125.137 -3.173 1
1 705 . 12 1 1 A 65 65 SER H H 74 8.742 8.708 0.034 1
1 706 . 12 1 1 A 65 65 SER HA H 74 5.074 5.058 0.016 1
1 708 . 12 1 1 A 65 65 SER CA C 74 56.301 57.214 -0.913 1
1 709 . 12 1 1 A 65 65 SER CB C 74 67.579 65.971 1.608 1
1 710 . 12 1 1 A 65 65 SER N N 74 111.936 118.036 -6.100 1
1 711 . 12 1 1 A 66 66 VAL H H 75 8.622 8.445 0.177 1
1 712 . 12 1 1 A 66 66 VAL HA H 75 5.095 4.973 0.122 1
1 720 . 12 1 1 A 66 66 VAL CA C 75 60.217 60.738 -0.521 1
1 721 . 12 1 1 A 66 66 VAL CB C 75 36.617 34.858 1.759 1
1 724 . 12 1 1 A 66 66 VAL N N 75 119.422 123.138 -3.716 1
1 725 . 12 1 1 A 67 67 THR H H 76 9.152 8.812 0.340 1
1 726 . 12 1 1 A 67 67 THR HA H 76 5.199 4.999 0.200 1
1 731 . 12 1 1 A 67 67 THR CA C 76 63.014 62.004 1.010 1
1 732 . 12 1 1 A 67 67 THR CB C 76 69.703 71.211 -1.508 1
1 734 . 12 1 1 A 67 67 THR N N 76 123.839 122.924 0.915 1
1 735 . 12 1 1 A 68 68 ILE H H 77 9.106 9.063 0.043 1
1 736 . 12 1 1 A 68 68 ILE HA H 77 5.389 4.839 0.550 1
1 746 . 12 1 1 A 68 68 ILE CA C 77 59.844 60.304 -0.460 1
1 747 . 12 1 1 A 68 68 ILE CB C 77 40.347 39.252 1.095 1
1 751 . 12 1 1 A 68 68 ILE N N 77 129.275 129.842 -0.567 1
1 752 . 12 1 1 A 69 69 SER H H 78 9.645 8.970 0.675 1
1 753 . 12 1 1 A 69 69 SER HA H 78 5.265 5.439 -0.174 1
1 756 . 12 1 1 A 69 69 SER CA C 78 56.114 55.619 0.495 1
1 757 . 12 1 1 A 69 69 SER CB C 78 66.087 66.507 -0.420 1
1 758 . 12 1 1 A 69 69 SER N N 78 120.559 121.314 -0.755 1
1 759 . 12 1 1 A 70 70 VAL H H 79 8.482 8.451 0.031 1
1 760 . 12 1 1 A 70 70 VAL HA H 79 4.676 4.680 -0.004 1
1 768 . 12 1 1 A 70 70 VAL CA C 79 60.852 60.949 -0.097 1
1 769 . 12 1 1 A 70 70 VAL CB C 79 32.992 34.161 -1.169 1
1 772 . 12 1 1 A 70 70 VAL N N 79 121.777 120.618 1.159 1
1 773 . 12 1 1 A 71 71 TRP H H 80 8.627 8.294 0.333 1
1 774 . 12 1 1 A 71 71 TRP HA H 80 4.930 5.043 -0.113 1
1 783 . 12 1 1 A 71 71 TRP CA C 80 55.182 55.064 0.118 1
1 784 . 12 1 1 A 71 71 TRP CB C 80 34.058 32.381 1.677 1
1 790 . 12 1 1 A 71 71 TRP N N 80 124.474 126.412 -1.938 1
1 792 . 12 1 1 A 72 72 ASN H H 81 9.891 9.062 0.829 1
1 793 . 12 1 1 A 72 72 ASN HA H 81 4.789 4.942 -0.153 1
1 798 . 12 1 1 A 72 72 ASN CA C 81 51.049 51.749 -0.700 1
1 799 . 12 1 1 A 72 72 ASN CB C 81 39.091 38.199 0.892 1
1 800 . 12 1 1 A 72 72 ASN N N 81 116.435 122.175 -5.740 1
1 802 . 12 1 1 A 73 73 HIS H H 82 9.967 9.115 0.852 1
1 803 . 12 1 1 A 73 73 HIS HA H 82 4.499 4.374 0.125 1
1 806 . 12 1 1 A 73 73 HIS CA C 82 60.788 60.538 0.250 1
1 807 . 12 1 1 A 73 73 HIS CB C 82 32.327 30.724 1.603 1
1 808 . 12 1 1 A 73 73 HIS N N 82 127.963 126.209 1.754 1
1 809 . 12 1 1 A 74 74 LYS H H 83 7.764 8.283 -0.519 1
1 810 . 12 1 1 A 74 74 LYS HA H 83 4.297 3.968 0.329 1
1 817 . 12 1 1 A 74 74 LYS CA C 83 59.232 60.039 -0.807 1
1 818 . 12 1 1 A 74 74 LYS CB C 83 33.640 32.250 1.390 1
1 822 . 12 1 1 A 74 74 LYS N N 83 112.592 118.459 -5.867 1
1 823 . 12 1 1 A 75 75 LYS H H 84 7.626 7.816 -0.190 1
1 824 . 12 1 1 A 75 75 LYS HA H 84 4.607 4.214 0.393 1
1 832 . 12 1 1 A 75 75 LYS CA C 84 55.828 58.980 -3.152 1
1 833 . 12 1 1 A 75 75 LYS CB C 84 36.064 32.134 3.930 1
1 837 . 12 1 1 A 75 75 LYS N N 84 114.560 118.171 -3.611 1
1 838 . 12 1 1 A 76 76 ILE H H 85 7.021 8.210 -1.189 1
1 839 . 12 1 1 A 76 76 ILE HA H 85 4.132 3.962 0.170 1
1 849 . 12 1 1 A 76 76 ILE CA C 85 64.013 64.291 -0.278 1
1 850 . 12 1 1 A 76 76 ILE CB C 85 39.146 37.530 1.616 1
1 854 . 12 1 1 A 76 76 ILE N N 85 113.811 117.319 -3.508 1
1 855 . 12 1 1 A 77 77 HIS H H 86 8.335 7.625 0.710 1
1 856 . 12 1 1 A 77 77 HIS HA H 86 4.612 4.223 0.389 1
1 859 . 12 1 1 A 77 77 HIS CA C 86 56.815 58.950 -2.135 1
1 860 . 12 1 1 A 77 77 HIS CB C 86 30.461 30.160 0.301 1
1 862 . 12 1 1 A 77 77 HIS N N 86 117.841 122.847 -5.006 1
1 863 . 12 1 1 A 78 78 LYS H H 87 7.587 7.866 -0.279 1
1 864 . 12 1 1 A 78 78 LYS HA H 87 4.094 3.835 0.259 1
1 870 . 12 1 1 A 78 78 LYS CA C 87 57.628 60.075 -2.447 1
1 871 . 12 1 1 A 78 78 LYS CB C 87 32.893 32.820 0.073 1
1 875 . 12 1 1 A 78 78 LYS N N 87 120.652 119.686 0.966 1
1 876 . 12 1 1 A 79 79 LYS H H 88 7.585 7.992 -0.407 1
1 877 . 12 1 1 A 79 79 LYS HA H 88 4.304 4.360 -0.056 1
1 883 . 12 1 1 A 79 79 LYS CA C 88 56.467 56.883 -0.416 1
1 884 . 12 1 1 A 79 79 LYS CB C 88 34.013 32.178 1.835 1
1 888 . 12 1 1 A 79 79 LYS N N 88 115.872 119.083 -3.211 1
1 889 . 12 1 1 A 80 80 GLN H H 89 8.625 9.053 -0.428 1
1 890 . 12 1 1 A 80 80 GLN HA H 89 4.192 3.960 0.232 1
1 893 . 12 1 1 A 80 80 GLN CA C 89 57.590 56.778 0.812 1
1 894 . 12 1 1 A 80 80 GLN CB C 89 28.331 27.657 0.674 1
1 896 . 12 1 1 A 80 80 GLN N N 89 121.308 123.534 -2.226 1
1 897 . 12 1 1 A 81 81 GLY H H 90 8.791 8.504 0.287 1
1 898 . 12 1 1 A 81 81 GLY HA2 H 90 4.332 3.914 0.418 1
1 899 . 12 1 1 A 81 81 GLY HA3 H 90 3.850 3.933 -0.083 1
1 900 . 12 1 1 A 81 81 GLY CA C 90 45.950 45.304 0.646 1
1 901 . 12 1 1 A 81 81 GLY N N 90 112.984 105.872 7.112 1
1 902 . 12 1 1 A 82 82 ALA H H 91 7.951 7.998 -0.047 1
1 903 . 12 1 1 A 82 82 ALA HA H 91 4.485 4.184 0.301 1
1 907 . 12 1 1 A 82 82 ALA CA C 91 53.404 53.856 -0.452 1
1 908 . 12 1 1 A 82 82 ALA CB C 91 20.762 18.536 2.226 1
1 909 . 12 1 1 A 82 82 ALA N N 91 123.745 123.720 0.025 1
1 910 . 12 1 1 A 83 83 GLY H H 92 8.860 8.926 -0.066 1
1 911 . 12 1 1 A 83 83 GLY HA2 H 92 4.270 4.224 0.046 1
1 912 . 12 1 1 A 83 83 GLY HA3 H 92 4.262 4.314 -0.052 1
1 913 . 12 1 1 A 83 83 GLY CA C 92 46.689 45.582 1.107 1
1 914 . 12 1 1 A 83 83 GLY N N 92 105.564 111.152 -5.588 1
1 915 . 12 1 1 A 84 84 PHE H H 93 8.113 7.936 0.177 1
1 916 . 12 1 1 A 84 84 PHE HA H 93 3.440 4.248 -0.808 1
1 924 . 12 1 1 A 84 84 PHE CA C 93 59.932 57.116 2.816 1
1 925 . 12 1 1 A 84 84 PHE CB C 93 39.141 40.751 -1.610 1
1 929 . 12 1 1 A 84 84 PHE N N 93 121.215 121.160 0.055 1
1 930 . 12 1 1 A 85 85 LEU H H 94 8.204 7.570 0.634 1
1 931 . 12 1 1 A 85 85 LEU HA H 94 4.334 4.316 0.018 1
1 938 . 12 1 1 A 85 85 LEU CA C 94 53.569 55.263 -1.694 1
1 939 . 12 1 1 A 85 85 LEU CB C 94 43.255 43.392 -0.137 1
1 942 . 12 1 1 A 85 85 LEU N N 94 125.432 125.964 -0.532 1
1 943 . 12 1 1 A 86 86 GLY HA2 H 95 4.222 3.734 0.488 1
1 944 . 12 1 1 A 86 86 GLY HA3 H 95 3.147 3.815 -0.668 1
1 945 . 12 1 1 A 86 86 GLY CA C 95 45.570 45.546 0.024 1
1 946 . 12 1 1 A 87 87 CYS H H 96 9.230 8.460 0.770 1
1 947 . 12 1 1 A 87 87 CYS HA H 96 5.838 5.390 0.448 1
1 949 . 12 1 1 A 87 87 CYS CA C 96 55.882 57.541 -1.659 1
1 950 . 12 1 1 A 87 87 CYS CB C 96 33.259 29.340 3.919 1
1 951 . 12 1 1 A 87 87 CYS N N 96 114.935 121.647 -6.712 1
1 952 . 12 1 1 A 88 88 VAL H H 97 9.242 9.001 0.241 1
1 953 . 12 1 1 A 88 88 VAL HA H 97 4.575 4.815 -0.240 1
1 961 . 12 1 1 A 88 88 VAL CA C 97 61.769 60.267 1.502 1
1 962 . 12 1 1 A 88 88 VAL CB C 97 35.684 33.709 1.975 1
1 965 . 12 1 1 A 88 88 VAL N N 97 115.966 125.564 -9.598 1
1 966 . 12 1 1 A 89 89 ARG H H 98 8.665 9.041 -0.376 1
1 967 . 12 1 1 A 89 89 ARG HA H 98 5.166 5.256 -0.090 1
1 973 . 12 1 1 A 89 89 ARG CA C 98 54.929 54.528 0.401 1
1 974 . 12 1 1 A 89 89 ARG CB C 98 31.961 33.733 -1.772 1
1 977 . 12 1 1 A 89 89 ARG N N 98 125.526 128.421 -2.895 1
1 978 . 12 1 1 A 90 90 LEU H H 99 9.611 8.685 0.926 1
1 979 . 12 1 1 A 90 90 LEU HA H 99 4.644 5.207 -0.563 1
1 989 . 12 1 1 A 90 90 LEU CA C 99 53.217 52.937 0.280 1
1 990 . 12 1 1 A 90 90 LEU CB C 99 43.339 45.021 -1.682 1
1 994 . 12 1 1 A 90 90 LEU N N 99 127.119 127.087 0.032 1
1 995 . 12 1 1 A 91 91 LEU H H 100 7.953 8.634 -0.681 1
1 996 . 12 1 1 A 91 91 LEU HA H 100 4.540 5.071 -0.531 1
1 1005 . 12 1 1 A 91 91 LEU CA C 100 54.523 53.795 0.728 1
1 1006 . 12 1 1 A 91 91 LEU CB C 100 42.593 42.842 -0.249 1
1 1010 . 12 1 1 A 91 91 LEU N N 100 122.527 124.960 -2.433 1
1 1011 . 12 1 1 A 92 92 SER H H 101 8.754 8.633 0.121 1
1 1012 . 12 1 1 A 92 92 SER HA H 101 3.950 4.085 -0.135 1
1 1013 . 12 1 1 A 92 92 SER CA C 101 63.171 62.259 0.912 1
1 1014 . 12 1 1 A 92 92 SER N N 101 115.966 115.747 0.219 1
1 1015 . 12 1 1 A 93 93 ASN H H 102 7.765 8.326 -0.561 1
1 1016 . 12 1 1 A 93 93 ASN HA H 102 4.500 4.470 0.030 1
1 1020 . 12 1 1 A 93 93 ASN CA C 102 56.487 56.240 0.247 1
1 1021 . 12 1 1 A 93 93 ASN CB C 102 37.514 38.162 -0.648 1
1 1022 . 12 1 1 A 93 93 ASN N N 102 116.950 120.500 -3.550 1
1 1024 . 12 1 1 A 94 94 ALA H H 103 7.345 7.649 -0.304 1
1 1025 . 12 1 1 A 94 94 ALA HA H 103 4.230 4.102 0.128 1
1 1029 . 12 1 1 A 94 94 ALA CA C 103 54.843 55.107 -0.264 1
1 1030 . 12 1 1 A 94 94 ALA CB C 103 19.643 18.263 1.380 1
1 1031 . 12 1 1 A 94 94 ALA N N 103 124.495 122.177 2.318 1
1 1032 . 12 1 1 A 95 95 ILE H H 104 8.322 8.227 0.095 1
1 1033 . 12 1 1 A 95 95 ILE HA H 104 3.280 3.675 -0.395 1
1 1043 . 12 1 1 A 95 95 ILE CA C 104 66.184 64.484 1.700 1
1 1044 . 12 1 1 A 95 95 ILE CB C 104 37.922 37.286 0.636 1
1 1048 . 12 1 1 A 95 95 ILE N N 104 119.310 119.350 -0.040 1
1 1049 . 12 1 1 A 96 96 ASN H H 105 7.815 7.769 0.046 1
1 1050 . 12 1 1 A 96 96 ASN HA H 105 4.332 4.467 -0.135 1
1 1052 . 12 1 1 A 96 96 ASN CA C 105 56.487 56.011 0.476 1
1 1053 . 12 1 1 A 96 96 ASN CB C 105 38.855 38.189 0.666 1
1 1054 . 12 1 1 A 96 96 ASN N N 105 114.748 118.926 -4.178 1
1 1055 . 12 1 1 A 97 97 ARG H H 106 7.595 7.773 -0.178 1
1 1056 . 12 1 1 A 97 97 ARG HA H 106 4.257 4.237 0.020 1
1 1061 . 12 1 1 A 97 97 ARG CA C 106 58.294 58.840 -0.546 1
1 1062 . 12 1 1 A 97 97 ARG CB C 106 31.401 29.663 1.738 1
1 1065 . 12 1 1 A 97 97 ARG N N 106 117.934 119.208 -1.274 1
1 1066 . 12 1 1 A 98 98 LEU H H 107 8.179 8.520 -0.341 1
1 1067 . 12 1 1 A 98 98 LEU HA H 107 4.288 4.557 -0.269 1
1 1077 . 12 1 1 A 98 98 LEU CA C 107 55.735 57.144 -1.409 1
1 1078 . 12 1 1 A 98 98 LEU CB C 107 44.264 41.151 3.113 1
1 1082 . 12 1 1 A 98 98 LEU N N 107 116.341 119.362 -3.021 1
1 1083 . 12 1 1 A 99 99 LYS H H 108 8.058 8.637 -0.579 1
1 1084 . 12 1 1 A 99 99 LYS HA H 108 4.078 4.044 0.034 1
1 1091 . 12 1 1 A 99 99 LYS CA C 108 58.256 59.089 -0.833 1
1 1092 . 12 1 1 A 99 99 LYS CB C 108 32.520 32.040 0.480 1
1 1096 . 12 1 1 A 99 99 LYS N N 108 123.558 117.830 5.728 1
1 1097 . 12 1 1 A 100 100 ASP H H 109 9.305 7.842 1.463 1
1 1098 . 12 1 1 A 100 100 ASP HA H 109 4.672 4.506 0.166 1
1 1101 . 12 1 1 A 100 100 ASP CA C 109 57.047 56.516 0.531 1
1 1102 . 12 1 1 A 100 100 ASP CB C 109 39.041 40.949 -1.908 1
1 1103 . 12 1 1 A 100 100 ASP N N 109 115.779 119.440 -3.661 1
1 1104 . 12 1 1 A 101 101 THR H H 110 7.546 7.607 -0.061 1
1 1105 . 12 1 1 A 101 101 THR HA H 110 4.675 4.131 0.544 1
1 1110 . 12 1 1 A 101 101 THR CA C 110 61.895 63.834 -1.939 1
1 1111 . 12 1 1 A 101 101 THR CB C 110 70.432 69.254 1.178 1
1 1113 . 12 1 1 A 101 101 THR N N 110 129.087 110.139 18.948 1
1 1114 . 12 1 1 A 102 102 GLY H H 111 8.921 8.171 0.750 1
1 1115 . 12 1 1 A 102 102 GLY HA2 H 111 4.337 3.774 0.563 1
1 1116 . 12 1 1 A 102 102 GLY HA3 H 111 3.563 3.810 -0.247 1
1 1117 . 12 1 1 A 102 102 GLY CA C 111 44.062 45.425 -1.363 1
1 1118 . 12 1 1 A 102 102 GLY N N 111 112.780 110.520 2.260 1
1 1119 . 12 1 1 A 103 103 TYR H H 112 8.255 8.112 0.143 1
1 1120 . 12 1 1 A 103 103 TYR HA H 112 4.574 5.498 -0.924 1
1 1127 . 12 1 1 A 103 103 TYR CA C 112 59.745 56.477 3.268 1
1 1128 . 12 1 1 A 103 103 TYR CB C 112 38.295 39.246 -0.951 1
1 1131 . 12 1 1 A 103 103 TYR N N 112 117.653 118.728 -1.075 1
1 1132 . 12 1 1 A 104 104 GLN H H 113 9.435 8.845 0.590 1
1 1133 . 12 1 1 A 104 104 GLN HA H 113 4.659 4.922 -0.263 1
1 1140 . 12 1 1 A 104 104 GLN CA C 113 53.852 55.180 -1.328 1
1 1141 . 12 1 1 A 104 104 GLN CB C 113 31.128 30.783 0.345 1
1 1143 . 12 1 1 A 104 104 GLN N N 113 121.964 124.200 -2.236 1
1 1145 . 12 1 1 A 105 105 ARG H H 114 8.670 8.933 -0.263 1
1 1146 . 12 1 1 A 105 105 ARG HA H 114 4.838 4.953 -0.115 1
1 1151 . 12 1 1 A 105 105 ARG CA C 114 55.090 55.052 0.038 1
1 1152 . 12 1 1 A 105 105 ARG CB C 114 31.401 30.568 0.833 1
1 1155 . 12 1 1 A 105 105 ARG N N 114 122.246 123.765 -1.519 1
1 1156 . 12 1 1 A 106 106 LEU H H 115 9.269 8.706 0.563 1
1 1157 . 12 1 1 A 106 106 LEU HA H 115 4.843 4.897 -0.054 1
1 1163 . 12 1 1 A 106 106 LEU CA C 115 53.317 53.408 -0.091 1
1 1164 . 12 1 1 A 106 106 LEU CB C 115 44.570 44.198 0.372 1
1 1166 . 12 1 1 A 106 106 LEU N N 115 126.088 126.460 -0.372 1
1 1167 . 12 1 1 A 107 107 ASP H H 116 8.582 8.729 -0.147 1
1 1168 . 12 1 1 A 107 107 ASP HA H 116 4.748 4.917 -0.169 1
1 1171 . 12 1 1 A 107 107 ASP CA C 116 55.402 54.138 1.264 1
1 1172 . 12 1 1 A 107 107 ASP CB C 116 41.280 41.403 -0.123 1
1 1173 . 12 1 1 A 107 107 ASP N N 116 122.714 123.841 -1.127 1
1 1174 . 12 1 1 A 108 108 LEU H H 117 8.067 8.475 -0.408 1
1 1175 . 12 1 1 A 108 108 LEU HA H 117 4.195 4.593 -0.398 1
1 1185 . 12 1 1 A 108 108 LEU CA C 117 55.308 54.403 0.905 1
1 1186 . 12 1 1 A 108 108 LEU CB C 117 42.871 40.771 2.100 1
1 1190 . 12 1 1 A 108 108 LEU N N 117 121.121 124.913 -3.792 1
1 1191 . 12 1 1 A 109 109 CYS H H 118 9.705 8.624 1.081 1
1 1192 . 12 1 1 A 109 109 CYS HA H 118 4.839 5.189 -0.350 1
1 1195 . 12 1 1 A 109 109 CYS CA C 118 57.979 57.636 0.343 1
1 1196 . 12 1 1 A 109 109 CYS CB C 118 31.953 32.668 -0.715 1
1 1197 . 12 1 1 A 109 109 CYS N N 118 118.403 123.026 -4.623 1
1 1198 . 12 1 1 A 110 110 LYS H H 119 8.419 8.377 0.042 1
1 1199 . 12 1 1 A 110 110 LYS HA H 119 4.426 4.491 -0.065 1
1 1207 . 12 1 1 A 110 110 LYS CA C 119 56.957 56.506 0.451 1
1 1208 . 12 1 1 A 110 110 LYS CB C 119 34.386 33.049 1.337 1
1 1212 . 12 1 1 A 110 110 LYS N N 119 120.090 121.246 -1.156 1
1 1213 . 12 1 1 A 111 111 LEU H H 120 9.016 8.318 0.698 1
1 1214 . 12 1 1 A 111 111 LEU HA H 120 4.054 3.811 0.243 1
1 1223 . 12 1 1 A 111 111 LEU CA C 120 57.694 57.851 -0.157 1
1 1224 . 12 1 1 A 111 111 LEU CB C 120 43.062 41.412 1.650 1
1 1227 . 12 1 1 A 111 111 LEU N N 120 123.089 121.647 1.442 1
1 1228 . 12 1 1 A 112 112 GLY H H 121 7.578 7.759 -0.181 1
1 1229 . 12 1 1 A 112 112 GLY HA2 H 121 4.320 4.026 0.294 1
1 1230 . 12 1 1 A 112 112 GLY HA3 H 121 3.863 4.030 -0.167 1
1 1231 . 12 1 1 A 112 112 GLY CA C 121 44.644 43.969 0.675 1
1 1232 . 12 1 1 A 112 112 GLY N N 121 105.939 107.593 -1.654 1
1 1233 . 12 1 1 A 113 113 PRO HA H 122 4.365 4.396 -0.031 1
1 1240 . 12 1 1 A 113 113 PRO CA C 122 64.692 64.672 0.020 1
1 1241 . 12 1 1 A 113 113 PRO CB C 122 32.663 31.842 0.821 1
1 1244 . 12 1 1 A 114 114 ASN H H 123 8.603 8.455 0.148 1
1 1245 . 12 1 1 A 114 114 ASN HA H 123 4.899 4.870 0.029 1
1 1250 . 12 1 1 A 114 114 ASN CA C 123 52.944 52.225 0.719 1
1 1251 . 12 1 1 A 114 114 ASN CB C 123 39.041 39.151 -0.110 1
1 1252 . 12 1 1 A 114 114 ASN N N 123 115.591 114.193 1.398 1
1 1254 . 12 1 1 A 115 115 ASP H H 124 7.507 7.601 -0.094 1
1 1255 . 12 1 1 A 115 115 ASP HA H 124 4.507 4.466 0.041 1
1 1258 . 12 1 1 A 115 115 ASP CA C 124 54.843 54.704 0.139 1
1 1259 . 12 1 1 A 115 115 ASP CB C 124 41.620 41.610 0.010 1
1 1260 . 12 1 1 A 115 115 ASP N N 124 121.215 120.860 0.355 1
1 1261 . 12 1 1 A 116 116 ASN H H 125 8.741 8.478 0.263 1
1 1262 . 12 1 1 A 116 116 ASN HA H 125 4.823 4.840 -0.017 1
1 1267 . 12 1 1 A 116 116 ASN CA C 125 53.447 53.023 0.424 1
1 1268 . 12 1 1 A 116 116 ASN CB C 125 43.830 36.982 6.848 1
1 1269 . 12 1 1 A 116 116 ASN N N 125 120.137 121.873 -1.736 1
1 1271 . 12 1 1 A 117 117 ASP H H 126 8.039 8.267 -0.228 1
1 1272 . 12 1 1 A 117 117 ASP HA H 126 4.745 5.222 -0.477 1
1 1274 . 12 1 1 A 117 117 ASP CA C 126 54.436 52.597 1.839 1
1 1275 . 12 1 1 A 117 117 ASP CB C 126 42.046 44.310 -2.264 1
1 1276 . 12 1 1 A 117 117 ASP N N 126 120.746 123.841 -3.095 1
1 1277 . 12 1 1 A 118 118 THR H H 127 8.361 8.345 0.016 1
1 1278 . 12 1 1 A 118 118 THR HA H 127 4.331 4.732 -0.401 1
1 1283 . 12 1 1 A 118 118 THR CA C 127 62.454 60.065 2.389 1
1 1284 . 12 1 1 A 118 118 THR CB C 127 70.191 68.585 1.606 1
1 1286 . 12 1 1 A 118 118 THR N N 127 116.903 111.251 5.652 1
1 1287 . 12 1 1 A 119 119 VAL H H 128 8.152 7.562 0.590 1
1 1288 . 12 1 1 A 119 119 VAL HA H 128 4.172 4.971 -0.799 1
1 1296 . 12 1 1 A 119 119 VAL CA C 128 61.051 59.878 1.173 1
1 1297 . 12 1 1 A 119 119 VAL CB C 128 35.124 35.570 -0.446 1
1 1300 . 12 1 1 A 119 119 VAL N N 128 119.903 122.213 -2.310 1
1 1301 . 12 1 1 A 120 120 ARG H H 129 7.884 8.730 -0.846 1
1 1302 . 12 1 1 A 120 120 ARG HA H 129 4.719 4.617 0.102 1
1 1307 . 12 1 1 A 120 120 ARG CA C 129 55.555 55.411 0.144 1
1 1308 . 12 1 1 A 120 120 ARG CB C 129 34.945 32.004 2.941 1
1 1311 . 12 1 1 A 120 120 ARG N N 129 122.621 126.431 -3.810 1
1 1312 . 12 1 1 A 121 121 GLY H H 130 8.289 7.574 0.715 1
1 1313 . 12 1 1 A 121 121 GLY HA2 H 130 4.605 4.035 0.570 1
1 1314 . 12 1 1 A 121 121 GLY HA3 H 130 3.803 4.047 -0.244 1
1 1315 . 12 1 1 A 121 121 GLY CA C 130 45.756 44.575 1.181 1
1 1316 . 12 1 1 A 121 121 GLY N N 130 107.626 109.605 -1.979 1
1 1317 . 12 1 1 A 122 122 GLN H H 131 8.408 8.751 -0.343 1
1 1318 . 12 1 1 A 122 122 GLN HA H 131 5.434 5.270 0.164 1
1 1323 . 12 1 1 A 122 122 GLN CA C 131 54.809 54.330 0.479 1
1 1324 . 12 1 1 A 122 122 GLN CB C 131 34.756 33.269 1.487 1
1 1326 . 12 1 1 A 122 122 GLN N N 131 114.654 119.256 -4.602 1
1 1328 . 12 1 1 A 123 123 ILE H H 132 9.273 8.688 0.585 1
1 1329 . 12 1 1 A 123 123 ILE HA H 132 5.207 4.659 0.548 1
1 1339 . 12 1 1 A 123 123 ILE CA C 132 59.284 59.880 -0.596 1
1 1340 . 12 1 1 A 123 123 ILE CB C 132 44.085 41.490 2.595 1
1 1344 . 12 1 1 A 123 123 ILE N N 132 118.216 121.297 -3.081 1
1 1345 . 12 1 1 A 124 124 VAL H H 133 8.750 9.140 -0.390 1
1 1346 . 12 1 1 A 124 124 VAL HA H 133 5.338 4.785 0.553 1
1 1354 . 12 1 1 A 124 124 VAL CA C 133 61.611 61.278 0.333 1
1 1355 . 12 1 1 A 124 124 VAL CB C 133 32.620 33.007 -0.387 1
1 1358 . 12 1 1 A 124 124 VAL N N 133 126.088 128.663 -2.575 1
1 1359 . 12 1 1 A 125 125 VAL H H 134 8.698 9.333 -0.635 1
1 1360 . 12 1 1 A 125 125 VAL HA H 134 5.859 5.650 0.209 1
1 1368 . 12 1 1 A 125 125 VAL CA C 134 57.880 59.431 -1.551 1
1 1369 . 12 1 1 A 125 125 VAL CB C 134 36.990 36.177 0.813 1
1 1372 . 12 1 1 A 125 125 VAL N N 134 117.895 121.508 -3.613 1
1 1373 . 12 1 1 A 126 126 SER H H 135 8.746 9.051 -0.305 1
1 1374 . 12 1 1 A 126 126 SER HA H 135 4.881 5.448 -0.567 1
1 1377 . 12 1 1 A 126 126 SER CA C 135 56.860 56.899 -0.039 1
1 1378 . 12 1 1 A 126 126 SER CB C 135 66.695 66.040 0.655 1
1 1379 . 12 1 1 A 126 126 SER N N 135 112.967 116.033 -3.066 1
1 1380 . 12 1 1 A 127 127 LEU H H 136 9.710 8.976 0.734 1
1 1381 . 12 1 1 A 127 127 LEU HA H 136 5.244 4.994 0.250 1
1 1390 . 12 1 1 A 127 127 LEU CA C 136 54.436 53.669 0.767 1
1 1391 . 12 1 1 A 127 127 LEU CB C 136 46.137 42.406 3.731 1
1 1395 . 12 1 1 A 127 127 LEU N N 136 125.760 126.948 -1.188 1
1 1396 . 12 1 1 A 128 128 GLN H H 137 9.256 8.311 0.945 1
1 1397 . 12 1 1 A 128 128 GLN HA H 137 5.128 5.812 -0.684 1
1 1404 . 12 1 1 A 128 128 GLN CA C 137 54.063 54.420 -0.357 1
1 1405 . 12 1 1 A 128 128 GLN CB C 137 34.063 32.550 1.513 1
1 1407 . 12 1 1 A 128 128 GLN N N 137 125.526 125.766 -0.240 1
1 1409 . 12 1 1 A 129 129 SER H H 138 8.222 8.680 -0.458 1
1 1410 . 12 1 1 A 129 129 SER HA H 138 4.476 4.415 0.061 1
1 1413 . 12 1 1 A 129 129 SER CA C 138 60.814 58.787 2.027 1
1 1414 . 12 1 1 A 129 129 SER CB C 138 63.116 63.378 -0.262 1
1 1415 . 12 1 1 A 129 129 SER N N 138 125.620 120.437 5.183 1
1 1416 . 12 1 1 A 130 130 ARG H H 139 8.032 8.836 -0.804 1
1 1417 . 12 1 1 A 130 130 ARG HA H 139 4.601 4.777 -0.176 1
1 1424 . 12 1 1 A 130 130 ARG CA C 139 53.934 55.611 -1.677 1
1 1425 . 12 1 1 A 130 130 ARG CB C 139 32.334 32.062 0.272 1
1 1428 . 12 1 1 A 130 130 ARG N N 139 123.136 124.532 -1.396 1
1 6 . 13 1 1 A 2 2 PRO HA H 11 4.498 4.869 -0.371 1
1 11 . 13 1 1 A 2 2 PRO CA C 11 63.103 62.863 0.240 1
1 12 . 13 1 1 A 2 2 PRO CB C 11 32.993 32.964 0.029 1
1 15 . 13 1 1 A 3 3 VAL H H 12 8.356 8.044 0.312 1
1 16 . 13 1 1 A 3 3 VAL HA H 12 4.370 5.007 -0.637 1
1 24 . 13 1 1 A 3 3 VAL CA C 12 60.982 59.061 1.921 1
1 25 . 13 1 1 A 3 3 VAL CB C 12 34.005 34.768 -0.763 1
1 28 . 13 1 1 A 3 3 VAL N N 12 119.528 115.650 3.878 1
1 29 . 13 1 1 A 4 4 LYS H H 13 8.542 8.893 -0.351 1
1 30 . 13 1 1 A 4 4 LYS HA H 13 4.752 4.747 0.005 1
1 38 . 13 1 1 A 4 4 LYS CA C 13 55.339 55.859 -0.520 1
1 39 . 13 1 1 A 4 4 LYS CB C 13 33.640 33.455 0.185 1
1 43 . 13 1 1 A 4 4 LYS N N 13 125.901 124.918 0.983 1
1 44 . 13 1 1 A 5 5 LEU H H 14 8.887 8.909 -0.022 1
1 45 . 13 1 1 A 5 5 LEU HA H 14 4.927 5.184 -0.257 1
1 51 . 13 1 1 A 5 5 LEU CA C 14 52.944 53.517 -0.573 1
1 52 . 13 1 1 A 5 5 LEU CB C 14 47.069 45.332 1.737 1
1 54 . 13 1 1 A 5 5 LEU N N 14 126.276 129.046 -2.770 1
1 55 . 13 1 1 A 6 6 ARG H H 15 9.361 8.718 0.643 1
1 56 . 13 1 1 A 6 6 ARG HA H 15 5.205 5.567 -0.362 1
1 61 . 13 1 1 A 6 6 ARG CA C 15 55.064 54.801 0.263 1
1 62 . 13 1 1 A 6 6 ARG CB C 15 31.979 32.676 -0.697 1
1 64 . 13 1 1 A 6 6 ARG N N 15 123.745 125.276 -1.531 1
1 65 . 13 1 1 A 7 7 LEU H H 16 9.694 8.785 0.909 1
1 66 . 13 1 1 A 7 7 LEU HA H 16 5.437 5.057 0.380 1
1 73 . 13 1 1 A 7 7 LEU CA C 16 53.777 53.586 0.191 1
1 74 . 13 1 1 A 7 7 LEU CB C 16 45.577 44.080 1.497 1
1 77 . 13 1 1 A 7 7 LEU N N 16 111.467 126.323 -14.856 1
1 78 . 13 1 1 A 8 8 THR H H 17 9.470 9.297 0.173 1
1 79 . 13 1 1 A 8 8 THR HA H 17 4.904 5.012 -0.108 1
1 84 . 13 1 1 A 8 8 THR CA C 17 62.827 62.333 0.494 1
1 85 . 13 1 1 A 8 8 THR CB C 17 69.540 69.254 0.286 1
1 87 . 13 1 1 A 8 8 THR N N 17 124.589 124.514 0.075 1
1 88 . 13 1 1 A 9 9 VAL H H 18 9.339 9.262 0.077 1
1 89 . 13 1 1 A 9 9 VAL HA H 18 4.374 4.230 0.144 1
1 97 . 13 1 1 A 9 9 VAL CA C 18 61.708 63.028 -1.320 1
1 98 . 13 1 1 A 9 9 VAL CB C 18 31.021 30.740 0.281 1
1 101 . 13 1 1 A 9 9 VAL N N 18 127.963 128.025 -0.062 1
1 102 . 13 1 1 A 10 10 LEU H H 19 8.957 8.398 0.559 1
1 103 . 13 1 1 A 10 10 LEU HA H 19 4.334 4.286 0.048 1
1 113 . 13 1 1 A 10 10 LEU CA C 19 59.232 57.711 1.521 1
1 114 . 13 1 1 A 10 10 LEU CB C 19 43.525 42.831 0.694 1
1 118 . 13 1 1 A 10 10 LEU N N 19 127.775 129.527 -1.752 1
1 119 . 13 1 1 A 11 11 CYS H H 20 8.038 7.561 0.477 1
1 120 . 13 1 1 A 11 11 CYS HA H 20 5.152 4.599 0.553 1
1 123 . 13 1 1 A 11 11 CYS CA C 20 55.928 57.189 -1.261 1
1 124 . 13 1 1 A 11 11 CYS CB C 20 30.655 30.131 0.524 1
1 125 . 13 1 1 A 11 11 CYS N N 20 109.968 113.044 -3.076 1
1 126 . 13 1 1 A 12 12 ALA H H 21 8.485 8.213 0.272 1
1 127 . 13 1 1 A 12 12 ALA HA H 21 5.397 5.428 -0.031 1
1 131 . 13 1 1 A 12 12 ALA CA C 21 50.707 50.539 0.168 1
1 132 . 13 1 1 A 12 12 ALA CB C 21 22.550 23.550 -1.000 1
1 133 . 13 1 1 A 12 12 ALA N N 21 119.247 123.483 -4.236 1
1 134 . 13 1 1 A 13 13 LYS H H 22 8.905 8.822 0.083 1
1 135 . 13 1 1 A 13 13 LYS HA H 22 5.144 4.703 0.441 1
1 141 . 13 1 1 A 13 13 LYS CA C 22 54.063 54.543 -0.480 1
1 142 . 13 1 1 A 13 13 LYS CB C 22 37.217 35.960 1.257 1
1 146 . 13 1 1 A 13 13 LYS N N 22 117.934 118.459 -0.525 1
1 147 . 13 1 1 A 14 14 ASN H H 23 9.099 8.998 0.101 1
1 148 . 13 1 1 A 14 14 ASN HA H 23 4.187 4.303 -0.116 1
1 153 . 13 1 1 A 14 14 ASN CA C 23 53.735 53.748 -0.013 1
1 154 . 13 1 1 A 14 14 ASN CB C 23 37.736 36.981 0.755 1
1 155 . 13 1 1 A 14 14 ASN N N 23 118.684 119.510 -0.826 1
1 157 . 13 1 1 A 15 15 LEU H H 24 8.294 7.666 0.628 1
1 158 . 13 1 1 A 15 15 LEU HA H 24 5.161 4.258 0.903 1
1 165 . 13 1 1 A 15 15 LEU CA C 24 55.261 54.814 0.447 1
1 166 . 13 1 1 A 15 15 LEU CB C 24 42.966 41.503 1.463 1
1 169 . 13 1 1 A 15 15 LEU N N 24 114.373 120.096 -5.723 1
1 170 . 13 1 1 A 16 16 VAL H H 25 8.533 8.532 0.001 1
1 171 . 13 1 1 A 16 16 VAL HA H 25 3.635 3.941 -0.306 1
1 179 . 13 1 1 A 16 16 VAL CA C 25 62.318 63.239 -0.921 1
1 180 . 13 1 1 A 16 16 VAL CB C 25 33.064 32.369 0.695 1
1 183 . 13 1 1 A 16 16 VAL N N 25 119.200 125.342 -6.142 1
1 184 . 13 1 1 A 17 17 LYS H H 26 7.950 8.744 -0.794 1
1 185 . 13 1 1 A 17 17 LYS HA H 26 4.302 4.074 0.228 1
1 192 . 13 1 1 A 17 17 LYS CA C 26 54.150 57.305 -3.155 1
1 193 . 13 1 1 A 17 17 LYS CB C 26 33.826 32.587 1.239 1
1 197 . 13 1 1 A 17 17 LYS N N 26 128.056 130.216 -2.160 1
1 198 . 13 1 1 A 18 18 LYS H H 27 8.549 7.796 0.753 1
1 199 . 13 1 1 A 18 18 LYS HA H 27 4.078 3.804 0.274 1
1 207 . 13 1 1 A 18 18 LYS CA C 27 58.626 58.663 -0.037 1
1 208 . 13 1 1 A 18 18 LYS CB C 27 33.826 31.018 2.808 1
1 211 . 13 1 1 A 18 18 LYS N N 27 125.760 116.462 9.298 1
1 212 . 13 1 1 A 19 19 ASP H H 28 8.438 8.411 0.027 1
1 213 . 13 1 1 A 19 19 ASP HA H 28 4.801 4.760 0.041 1
1 216 . 13 1 1 A 19 19 ASP CA C 28 52.964 54.023 -1.059 1
1 217 . 13 1 1 A 19 19 ASP CB C 28 43.518 42.287 1.231 1
1 218 . 13 1 1 A 19 19 ASP N N 28 119.247 119.419 -0.172 1
1 219 . 13 1 1 A 20 20 PHE H H 29 8.506 8.539 -0.033 1
1 220 . 13 1 1 A 20 20 PHE HA H 29 4.049 4.019 0.030 1
1 227 . 13 1 1 A 20 20 PHE CA C 29 60.767 60.735 0.032 1
1 228 . 13 1 1 A 20 20 PHE CB C 29 39.305 39.074 0.231 1
1 231 . 13 1 1 A 20 20 PHE N N 29 122.011 122.949 -0.938 1
1 232 . 13 1 1 A 21 21 PHE H H 30 8.350 8.403 -0.053 1
1 233 . 13 1 1 A 21 21 PHE HA H 30 4.677 4.338 0.339 1
1 240 . 13 1 1 A 21 21 PHE CA C 30 57.789 61.884 -4.095 1
1 241 . 13 1 1 A 21 21 PHE CB C 30 40.824 38.588 2.236 1
1 244 . 13 1 1 A 21 21 PHE N N 30 113.764 117.347 -3.583 1
1 245 . 13 1 1 A 22 22 ARG H H 31 7.631 7.880 -0.249 1
1 246 . 13 1 1 A 22 22 ARG HA H 31 4.614 4.861 -0.247 1
1 252 . 13 1 1 A 22 22 ARG CA C 31 55.325 54.713 0.612 1
1 253 . 13 1 1 A 22 22 ARG CB C 31 33.640 31.974 1.666 1
1 256 . 13 1 1 A 22 22 ARG N N 31 118.778 118.256 0.522 1
1 257 . 13 1 1 A 23 23 LEU H H 32 8.699 8.577 0.122 1
1 258 . 13 1 1 A 23 23 LEU HA H 32 4.509 4.881 -0.372 1
1 268 . 13 1 1 A 23 23 LEU CA C 32 52.758 51.118 1.640 1
1 269 . 13 1 1 A 23 23 LEU CB C 32 42.593 45.686 -3.093 1
1 273 . 13 1 1 A 23 23 LEU N N 32 123.464 121.340 2.124 1
1 274 . 13 1 1 A 24 24 PRO HA H 33 4.648 5.337 -0.689 1
1 281 . 13 1 1 A 24 24 PRO CA C 33 62.753 62.185 0.568 1
1 282 . 13 1 1 A 24 24 PRO CB C 33 33.965 32.655 1.310 1
1 285 . 13 1 1 A 25 25 ASP H H 34 7.463 8.741 -1.278 1
1 286 . 13 1 1 A 25 25 ASP HA H 34 6.052 5.542 0.510 1
1 289 . 13 1 1 A 25 25 ASP CA C 34 51.080 51.831 -0.751 1
1 290 . 13 1 1 A 25 25 ASP CB C 34 42.779 41.763 1.016 1
1 291 . 13 1 1 A 25 25 ASP N N 34 117.091 122.034 -4.943 1
1 292 . 13 1 1 A 26 26 PRO HA H 35 5.968 4.997 0.971 1
1 299 . 13 1 1 A 26 26 PRO CA C 35 62.827 62.935 -0.108 1
1 300 . 13 1 1 A 26 26 PRO CB C 35 35.132 32.742 2.390 1
1 303 . 13 1 1 A 27 27 PHE H H 36 9.284 8.824 0.460 1
1 304 . 13 1 1 A 27 27 PHE HA H 36 5.009 5.230 -0.221 1
1 312 . 13 1 1 A 27 27 PHE CA C 36 56.301 56.101 0.200 1
1 313 . 13 1 1 A 27 27 PHE CB C 36 42.689 41.214 1.475 1
1 317 . 13 1 1 A 27 27 PHE N N 36 120.090 118.676 1.414 1
1 318 . 13 1 1 A 28 28 ALA H H 37 8.408 8.614 -0.206 1
1 319 . 13 1 1 A 28 28 ALA HA H 37 5.481 5.180 0.301 1
1 323 . 13 1 1 A 28 28 ALA CA C 37 49.186 49.805 -0.619 1
1 324 . 13 1 1 A 28 28 ALA CB C 37 20.389 22.889 -2.500 1
1 325 . 13 1 1 A 28 28 ALA N N 37 122.433 121.179 1.254 1
1 326 . 13 1 1 A 29 29 LYS H H 38 9.617 8.756 0.861 1
1 327 . 13 1 1 A 29 29 LYS HA H 38 5.267 5.304 -0.037 1
1 335 . 13 1 1 A 29 29 LYS CA C 38 54.901 54.793 0.108 1
1 336 . 13 1 1 A 29 29 LYS CB C 38 36.624 35.330 1.294 1
1 340 . 13 1 1 A 29 29 LYS N N 38 121.964 119.170 2.794 1
1 341 . 13 1 1 A 30 30 VAL H H 39 9.159 8.932 0.227 1
1 342 . 13 1 1 A 30 30 VAL HA H 39 4.494 4.532 -0.038 1
1 350 . 13 1 1 A 30 30 VAL CA C 39 61.335 62.024 -0.689 1
1 351 . 13 1 1 A 30 30 VAL CB C 39 34.954 32.041 2.913 1
1 354 . 13 1 1 A 30 30 VAL N N 39 124.497 125.687 -1.190 1
1 355 . 13 1 1 A 31 31 VAL H H 40 8.659 8.572 0.087 1
1 356 . 13 1 1 A 31 31 VAL HA H 40 5.091 4.823 0.268 1
1 364 . 13 1 1 A 31 31 VAL CA C 40 59.898 59.673 0.225 1
1 365 . 13 1 1 A 31 31 VAL CB C 40 36.959 35.563 1.396 1
1 368 . 13 1 1 A 31 31 VAL N N 40 124.589 120.941 3.648 1
1 369 . 13 1 1 A 32 32 VAL H H 41 7.786 8.355 -0.569 1
1 370 . 13 1 1 A 32 32 VAL HA H 41 4.660 4.466 0.194 1
1 378 . 13 1 1 A 32 32 VAL CA C 41 62.268 61.271 0.997 1
1 379 . 13 1 1 A 32 32 VAL CB C 41 30.995 31.237 -0.242 1
1 382 . 13 1 1 A 32 32 VAL N N 41 125.385 125.896 -0.511 1
1 383 . 13 1 1 A 33 33 ASP H H 42 8.568 8.767 -0.199 1
1 384 . 13 1 1 A 33 33 ASP HA H 42 4.310 4.375 -0.065 1
1 386 . 13 1 1 A 33 33 ASP CA C 42 57.321 55.875 1.446 1
1 387 . 13 1 1 A 33 33 ASP CB C 42 40.727 40.139 0.588 1
1 388 . 13 1 1 A 33 33 ASP N N 42 130.868 128.308 2.560 1
1 389 . 13 1 1 A 34 34 GLY HA2 H 43 4.230 4.056 0.174 1
1 390 . 13 1 1 A 34 34 GLY HA3 H 43 3.818 4.059 -0.241 1
1 391 . 13 1 1 A 34 34 GLY CA C 43 46.510 45.077 1.433 1
1 392 . 13 1 1 A 35 35 SER H H 44 8.049 8.149 -0.100 1
1 393 . 13 1 1 A 35 35 SER HA H 44 4.928 4.361 0.567 1
1 396 . 13 1 1 A 35 35 SER CA C 44 58.067 60.624 -2.557 1
1 397 . 13 1 1 A 35 35 SER CB C 44 67.393 62.018 5.375 1
1 398 . 13 1 1 A 35 35 SER N N 44 115.029 113.507 1.522 1
1 399 . 13 1 1 A 36 36 GLY H H 45 8.637 8.668 -0.031 1
1 400 . 13 1 1 A 36 36 GLY HA2 H 45 4.338 3.986 0.352 1
1 401 . 13 1 1 A 36 36 GLY HA3 H 45 3.884 3.997 -0.113 1
1 402 . 13 1 1 A 36 36 GLY CA C 45 46.137 45.230 0.907 1
1 403 . 13 1 1 A 36 36 GLY N N 45 109.265 111.790 -2.525 1
1 404 . 13 1 1 A 37 37 GLN H H 46 8.329 7.951 0.378 1
1 405 . 13 1 1 A 37 37 GLN HA H 46 4.339 4.683 -0.344 1
1 412 . 13 1 1 A 37 37 GLN CA C 46 56.002 54.721 1.281 1
1 413 . 13 1 1 A 37 37 GLN CB C 46 30.241 30.908 -0.667 1
1 415 . 13 1 1 A 37 37 GLN N N 46 120.699 119.662 1.037 1
1 417 . 13 1 1 A 38 38 CYS H H 47 7.787 8.903 -1.116 1
1 418 . 13 1 1 A 38 38 CYS HA H 47 5.257 5.632 -0.375 1
1 420 . 13 1 1 A 38 38 CYS CA C 47 56.761 56.993 -0.232 1
1 421 . 13 1 1 A 38 38 CYS CB C 47 29.250 30.663 -1.413 1
1 422 . 13 1 1 A 38 38 CYS N N 47 124.214 124.838 -0.624 1
1 423 . 13 1 1 A 39 39 HIS H H 48 8.906 8.638 0.268 1
1 424 . 13 1 1 A 39 39 HIS HA H 48 4.730 5.048 -0.318 1
1 428 . 13 1 1 A 39 39 HIS CA C 48 54.888 54.223 0.665 1
1 429 . 13 1 1 A 39 39 HIS CB C 48 34.688 34.465 0.223 1
1 431 . 13 1 1 A 39 39 HIS N N 48 125.807 122.194 3.613 1
1 432 . 13 1 1 A 40 40 SER H H 49 8.728 8.727 0.001 1
1 433 . 13 1 1 A 40 40 SER HA H 49 5.732 5.370 0.362 1
1 436 . 13 1 1 A 40 40 SER CA C 49 57.041 57.303 -0.262 1
1 437 . 13 1 1 A 40 40 SER CB C 49 66.274 66.482 -0.208 1
1 438 . 13 1 1 A 40 40 SER N N 49 116.034 114.331 1.703 1
1 439 . 13 1 1 A 41 41 THR H H 50 9.212 8.886 0.326 1
1 440 . 13 1 1 A 41 41 THR HA H 50 4.477 5.032 -0.555 1
1 445 . 13 1 1 A 41 41 THR CA C 50 61.457 59.619 1.838 1
1 446 . 13 1 1 A 41 41 THR CB C 50 72.337 70.768 1.569 1
1 448 . 13 1 1 A 41 41 THR N N 50 115.404 112.503 2.901 1
1 449 . 13 1 1 A 42 42 ASP H H 51 9.424 8.648 0.776 1
1 450 . 13 1 1 A 42 42 ASP HA H 51 4.676 4.522 0.154 1
1 453 . 13 1 1 A 42 42 ASP CA C 51 54.996 55.091 -0.095 1
1 454 . 13 1 1 A 42 42 ASP CB C 51 41.543 41.583 -0.040 1
1 455 . 13 1 1 A 42 42 ASP N N 51 119.340 122.960 -3.620 1
1 456 . 13 1 1 A 43 43 THR H H 52 8.650 8.556 0.094 1
1 457 . 13 1 1 A 43 43 THR HA H 52 4.858 5.156 -0.298 1
1 462 . 13 1 1 A 43 43 THR CA C 52 62.637 62.168 0.469 1
1 463 . 13 1 1 A 43 43 THR CB C 52 70.191 70.390 -0.199 1
1 465 . 13 1 1 A 43 43 THR N N 52 117.836 117.342 0.494 1
1 466 . 13 1 1 A 44 44 VAL H H 53 8.266 9.419 -1.153 1
1 467 . 13 1 1 A 44 44 VAL HA H 53 4.363 4.897 -0.534 1
1 475 . 13 1 1 A 44 44 VAL CA C 53 61.086 60.385 0.701 1
1 476 . 13 1 1 A 44 44 VAL CB C 53 33.361 34.071 -0.710 1
1 479 . 13 1 1 A 44 44 VAL N N 53 127.775 125.134 2.641 1
1 480 . 13 1 1 A 45 45 LYS H H 54 8.163 8.741 -0.578 1
1 481 . 13 1 1 A 45 45 LYS HA H 54 4.229 4.907 -0.678 1
1 487 . 13 1 1 A 45 45 LYS CA C 54 56.627 54.576 2.051 1
1 488 . 13 1 1 A 45 45 LYS CB C 54 33.739 35.478 -1.739 1
1 492 . 13 1 1 A 45 45 LYS N N 54 120.934 121.250 -0.316 1
1 493 . 13 1 1 A 46 46 ASN H H 55 9.642 8.962 0.680 1
1 494 . 13 1 1 A 46 46 ASN HA H 55 4.150 4.499 -0.349 1
1 499 . 13 1 1 A 46 46 ASN CA C 55 54.029 53.848 0.181 1
1 500 . 13 1 1 A 46 46 ASN CB C 55 38.668 36.196 2.472 1
1 501 . 13 1 1 A 46 46 ASN N N 55 121.215 119.432 1.783 1
1 503 . 13 1 1 A 47 47 THR H H 56 8.246 7.647 0.599 1
1 504 . 13 1 1 A 47 47 THR HA H 56 4.661 4.780 -0.119 1
1 509 . 13 1 1 A 47 47 THR CA C 56 60.963 60.372 0.591 1
1 510 . 13 1 1 A 47 47 THR CB C 56 68.512 69.572 -1.060 1
1 512 . 13 1 1 A 47 47 THR N N 56 111.936 116.895 -4.959 1
1 513 . 13 1 1 A 48 48 LEU H H 57 8.245 8.498 -0.253 1
1 514 . 13 1 1 A 48 48 LEU HA H 57 4.410 4.619 -0.209 1
1 524 . 13 1 1 A 48 48 LEU CA C 57 53.641 53.923 -0.282 1
1 525 . 13 1 1 A 48 48 LEU CB C 57 41.570 41.789 -0.219 1
1 529 . 13 1 1 A 48 48 LEU N N 57 122.433 124.315 -1.882 1
1 530 . 13 1 1 A 49 49 ASP H H 58 8.544 7.914 0.630 1
1 531 . 13 1 1 A 49 49 ASP HA H 58 5.419 5.225 0.194 1
1 534 . 13 1 1 A 49 49 ASP CA C 58 51.826 51.737 0.089 1
1 535 . 13 1 1 A 49 49 ASP CB C 58 44.085 40.481 3.604 1
1 536 . 13 1 1 A 49 49 ASP N N 58 116.903 117.622 -0.719 1
1 537 . 13 1 1 A 50 50 PRO HA H 59 3.790 4.474 -0.684 1
1 543 . 13 1 1 A 50 50 PRO CA C 59 63.219 62.053 1.166 1
1 544 . 13 1 1 A 50 50 PRO CB C 59 32.661 32.958 -0.297 1
1 547 . 13 1 1 A 51 51 LYS H H 60 7.806 7.823 -0.017 1
1 548 . 13 1 1 A 51 51 LYS HA H 60 4.224 4.602 -0.378 1
1 555 . 13 1 1 A 51 51 LYS CA C 60 55.521 54.821 0.700 1
1 556 . 13 1 1 A 51 51 LYS CB C 60 33.826 35.805 -1.979 1
1 560 . 13 1 1 A 51 51 LYS N N 60 119.996 116.734 3.262 1
1 561 . 13 1 1 A 52 52 TRP H H 61 7.791 8.383 -0.592 1
1 562 . 13 1 1 A 52 52 TRP HA H 61 4.824 4.904 -0.080 1
1 570 . 13 1 1 A 52 52 TRP CA C 61 60.590 57.682 2.908 1
1 571 . 13 1 1 A 52 52 TRP CB C 61 29.715 31.439 -1.724 1
1 576 . 13 1 1 A 52 52 TRP N N 61 122.386 119.954 2.432 1
1 578 . 13 1 1 A 53 53 ASN H H 62 9.040 8.234 0.806 1
1 579 . 13 1 1 A 53 53 ASN HA H 62 4.419 4.392 0.027 1
1 584 . 13 1 1 A 53 53 ASN CA C 62 53.789 54.259 -0.470 1
1 585 . 13 1 1 A 53 53 ASN CB C 62 37.922 37.695 0.227 1
1 586 . 13 1 1 A 53 53 ASN N N 62 117.185 118.351 -1.166 1
1 588 . 13 1 1 A 54 54 GLN H H 63 7.512 7.465 0.047 1
1 589 . 13 1 1 A 54 54 GLN HA H 63 4.584 4.592 -0.008 1
1 596 . 13 1 1 A 54 54 GLN CA C 63 55.008 54.634 0.374 1
1 597 . 13 1 1 A 54 54 GLN CB C 63 34.938 31.103 3.835 1
1 599 . 13 1 1 A 54 54 GLN N N 63 116.341 118.062 -1.721 1
1 601 . 13 1 1 A 55 55 HIS H H 64 7.782 8.133 -0.351 1
1 602 . 13 1 1 A 55 55 HIS HA H 64 5.796 6.145 -0.349 1
1 606 . 13 1 1 A 55 55 HIS CA C 64 53.059 53.155 -0.096 1
1 607 . 13 1 1 A 55 55 HIS CB C 64 34.378 33.148 1.230 1
1 609 . 13 1 1 A 55 55 HIS N N 64 118.403 118.600 -0.197 1
1 610 . 13 1 1 A 56 56 TYR H H 65 8.657 8.826 -0.169 1
1 611 . 13 1 1 A 56 56 TYR HA H 65 4.404 4.901 -0.497 1
1 618 . 13 1 1 A 56 56 TYR CA C 65 57.430 56.350 1.080 1
1 619 . 13 1 1 A 56 56 TYR CB C 65 42.958 41.704 1.254 1
1 622 . 13 1 1 A 56 56 TYR N N 65 116.435 119.777 -3.342 1
1 623 . 13 1 1 A 57 57 ASP H H 66 8.772 8.791 -0.019 1
1 624 . 13 1 1 A 57 57 ASP HA H 66 5.283 5.114 0.169 1
1 627 . 13 1 1 A 57 57 ASP CA C 66 54.250 53.762 0.488 1
1 628 . 13 1 1 A 57 57 ASP CB C 66 40.914 41.926 -1.012 1
1 629 . 13 1 1 A 57 57 ASP N N 66 124.776 123.036 1.740 1
1 630 . 13 1 1 A 58 58 LEU H H 67 9.175 8.745 0.430 1
1 631 . 13 1 1 A 58 58 LEU HA H 67 4.589 4.837 -0.248 1
1 641 . 13 1 1 A 58 58 LEU CA C 67 53.131 53.640 -0.509 1
1 642 . 13 1 1 A 58 58 LEU CB C 67 45.060 45.178 -0.118 1
1 645 . 13 1 1 A 58 58 LEU N N 67 124.558 124.806 -0.248 1
1 646 . 13 1 1 A 59 59 TYR H H 68 8.877 8.719 0.158 1
1 647 . 13 1 1 A 59 59 TYR HA H 68 5.096 5.099 -0.003 1
1 654 . 13 1 1 A 59 59 TYR CA C 68 57.606 58.377 -0.771 1
1 655 . 13 1 1 A 59 59 TYR CB C 68 39.422 39.536 -0.114 1
1 658 . 13 1 1 A 59 59 TYR N N 68 121.215 123.012 -1.797 1
1 659 . 13 1 1 A 60 60 ILE H H 69 9.162 8.820 0.342 1
1 660 . 13 1 1 A 60 60 ILE HA H 69 4.551 4.609 -0.058 1
1 670 . 13 1 1 A 60 60 ILE CA C 69 59.471 59.978 -0.507 1
1 671 . 13 1 1 A 60 60 ILE CB C 69 40.500 38.908 1.592 1
1 675 . 13 1 1 A 60 60 ILE N N 69 124.823 124.236 0.587 1
1 676 . 13 1 1 A 61 61 GLY H H 70 9.960 8.782 1.178 1
1 677 . 13 1 1 A 61 61 GLY HA2 H 70 4.517 4.114 0.403 1
1 678 . 13 1 1 A 61 61 GLY HA3 H 70 3.881 4.120 -0.239 1
1 679 . 13 1 1 A 61 61 GLY CA C 70 44.083 44.494 -0.411 1
1 680 . 13 1 1 A 61 61 GLY N N 70 117.841 115.059 2.782 1
1 681 . 13 1 1 A 62 62 LYS H H 71 8.605 8.833 -0.228 1
1 682 . 13 1 1 A 62 62 LYS HA H 71 4.090 3.850 0.240 1
1 687 . 13 1 1 A 62 62 LYS CA C 71 59.447 59.387 0.060 1
1 688 . 13 1 1 A 62 62 LYS CB C 71 33.453 32.499 0.954 1
1 692 . 13 1 1 A 62 62 LYS N N 71 119.434 120.054 -0.620 1
1 693 . 13 1 1 A 63 63 SER H H 72 8.544 7.702 0.842 1
1 694 . 13 1 1 A 63 63 SER HA H 72 4.811 4.641 0.170 1
1 696 . 13 1 1 A 63 63 SER CA C 72 57.606 56.755 0.851 1
1 697 . 13 1 1 A 63 63 SER CB C 72 64.013 63.291 0.722 1
1 698 . 13 1 1 A 63 63 SER N N 72 111.842 110.934 0.908 1
1 699 . 13 1 1 A 64 64 ASP H H 73 7.247 7.495 -0.248 1
1 700 . 13 1 1 A 64 64 ASP HA H 73 4.867 4.860 0.007 1
1 702 . 13 1 1 A 64 64 ASP CA C 73 55.500 53.517 1.983 1
1 703 . 13 1 1 A 64 64 ASP CB C 73 43.331 42.310 1.021 1
1 704 . 13 1 1 A 64 64 ASP N N 73 121.964 123.305 -1.341 1
1 705 . 13 1 1 A 65 65 SER H H 74 8.742 8.522 0.220 1
1 706 . 13 1 1 A 65 65 SER HA H 74 5.074 5.047 0.027 1
1 708 . 13 1 1 A 65 65 SER CA C 74 56.301 57.607 -1.306 1
1 709 . 13 1 1 A 65 65 SER CB C 74 67.579 66.548 1.031 1
1 710 . 13 1 1 A 65 65 SER N N 74 111.936 118.418 -6.482 1
1 711 . 13 1 1 A 66 66 VAL H H 75 8.622 8.411 0.211 1
1 712 . 13 1 1 A 66 66 VAL HA H 75 5.095 5.002 0.093 1
1 720 . 13 1 1 A 66 66 VAL CA C 75 60.217 60.528 -0.311 1
1 721 . 13 1 1 A 66 66 VAL CB C 75 36.617 35.098 1.519 1
1 724 . 13 1 1 A 66 66 VAL N N 75 119.422 122.448 -3.026 1
1 725 . 13 1 1 A 67 67 THR H H 76 9.152 8.741 0.411 1
1 726 . 13 1 1 A 67 67 THR HA H 76 5.199 4.978 0.221 1
1 731 . 13 1 1 A 67 67 THR CA C 76 63.014 61.919 1.095 1
1 732 . 13 1 1 A 67 67 THR CB C 76 69.703 71.081 -1.378 1
1 734 . 13 1 1 A 67 67 THR N N 76 123.839 123.082 0.757 1
1 735 . 13 1 1 A 68 68 ILE H H 77 9.106 8.943 0.163 1
1 736 . 13 1 1 A 68 68 ILE HA H 77 5.389 4.795 0.594 1
1 746 . 13 1 1 A 68 68 ILE CA C 77 59.844 60.240 -0.396 1
1 747 . 13 1 1 A 68 68 ILE CB C 77 40.347 39.169 1.178 1
1 751 . 13 1 1 A 68 68 ILE N N 77 129.275 129.529 -0.254 1
1 752 . 13 1 1 A 69 69 SER H H 78 9.645 9.012 0.633 1
1 753 . 13 1 1 A 69 69 SER HA H 78 5.265 5.438 -0.173 1
1 756 . 13 1 1 A 69 69 SER CA C 78 56.114 55.613 0.501 1
1 757 . 13 1 1 A 69 69 SER CB C 78 66.087 66.493 -0.406 1
1 758 . 13 1 1 A 69 69 SER N N 78 120.559 120.802 -0.243 1
1 759 . 13 1 1 A 70 70 VAL H H 79 8.482 8.314 0.168 1
1 760 . 13 1 1 A 70 70 VAL HA H 79 4.676 4.609 0.067 1
1 768 . 13 1 1 A 70 70 VAL CA C 79 60.852 61.105 -0.253 1
1 769 . 13 1 1 A 70 70 VAL CB C 79 32.992 34.266 -1.274 1
1 772 . 13 1 1 A 70 70 VAL N N 79 121.777 120.211 1.566 1
1 773 . 13 1 1 A 71 71 TRP H H 80 8.627 8.308 0.319 1
1 774 . 13 1 1 A 71 71 TRP HA H 80 4.930 5.081 -0.151 1
1 783 . 13 1 1 A 71 71 TRP CA C 80 55.182 54.770 0.412 1
1 784 . 13 1 1 A 71 71 TRP CB C 80 34.058 32.132 1.926 1
1 790 . 13 1 1 A 71 71 TRP N N 80 124.474 126.371 -1.897 1
1 792 . 13 1 1 A 72 72 ASN H H 81 9.891 8.992 0.899 1
1 793 . 13 1 1 A 72 72 ASN HA H 81 4.789 4.944 -0.155 1
1 798 . 13 1 1 A 72 72 ASN CA C 81 51.049 51.680 -0.631 1
1 799 . 13 1 1 A 72 72 ASN CB C 81 39.091 38.196 0.895 1
1 800 . 13 1 1 A 72 72 ASN N N 81 116.435 122.023 -5.588 1
1 802 . 13 1 1 A 73 73 HIS H H 82 9.967 9.204 0.763 1
1 803 . 13 1 1 A 73 73 HIS HA H 82 4.499 4.332 0.167 1
1 806 . 13 1 1 A 73 73 HIS CA C 82 60.788 60.623 0.165 1
1 807 . 13 1 1 A 73 73 HIS CB C 82 32.327 30.897 1.430 1
1 808 . 13 1 1 A 73 73 HIS N N 82 127.963 126.148 1.815 1
1 809 . 13 1 1 A 74 74 LYS H H 83 7.764 8.480 -0.716 1
1 810 . 13 1 1 A 74 74 LYS HA H 83 4.297 3.984 0.313 1
1 817 . 13 1 1 A 74 74 LYS CA C 83 59.232 60.237 -1.005 1
1 818 . 13 1 1 A 74 74 LYS CB C 83 33.640 32.679 0.961 1
1 822 . 13 1 1 A 74 74 LYS N N 83 112.592 117.616 -5.024 1
1 823 . 13 1 1 A 75 75 LYS H H 84 7.626 7.758 -0.132 1
1 824 . 13 1 1 A 75 75 LYS HA H 84 4.607 4.210 0.397 1
1 832 . 13 1 1 A 75 75 LYS CA C 84 55.828 58.894 -3.066 1
1 833 . 13 1 1 A 75 75 LYS CB C 84 36.064 31.970 4.094 1
1 837 . 13 1 1 A 75 75 LYS N N 84 114.560 118.985 -4.425 1
1 838 . 13 1 1 A 76 76 ILE H H 85 7.021 8.165 -1.144 1
1 839 . 13 1 1 A 76 76 ILE HA H 85 4.132 4.020 0.112 1
1 849 . 13 1 1 A 76 76 ILE CA C 85 64.013 64.096 -0.083 1
1 850 . 13 1 1 A 76 76 ILE CB C 85 39.146 37.307 1.839 1
1 854 . 13 1 1 A 76 76 ILE N N 85 113.811 117.734 -3.923 1
1 855 . 13 1 1 A 77 77 HIS H H 86 8.335 7.296 1.039 1
1 856 . 13 1 1 A 77 77 HIS HA H 86 4.612 4.375 0.237 1
1 859 . 13 1 1 A 77 77 HIS CA C 86 56.815 59.878 -3.063 1
1 860 . 13 1 1 A 77 77 HIS CB C 86 30.461 30.076 0.385 1
1 862 . 13 1 1 A 77 77 HIS N N 86 117.841 120.427 -2.586 1
1 863 . 13 1 1 A 78 78 LYS H H 87 7.587 7.725 -0.138 1
1 864 . 13 1 1 A 78 78 LYS HA H 87 4.094 4.117 -0.023 1
1 870 . 13 1 1 A 78 78 LYS CA C 87 57.628 58.360 -0.732 1
1 871 . 13 1 1 A 78 78 LYS CB C 87 32.893 33.491 -0.598 1
1 875 . 13 1 1 A 78 78 LYS N N 87 120.652 121.170 -0.518 1
1 876 . 13 1 1 A 79 79 LYS H H 88 7.585 8.050 -0.465 1
1 877 . 13 1 1 A 79 79 LYS HA H 88 4.304 4.306 -0.002 1
1 883 . 13 1 1 A 79 79 LYS CA C 88 56.467 56.927 -0.460 1
1 884 . 13 1 1 A 79 79 LYS CB C 88 34.013 32.752 1.261 1
1 888 . 13 1 1 A 79 79 LYS N N 88 115.872 119.180 -3.308 1
1 889 . 13 1 1 A 80 80 GLN H H 89 8.625 8.741 -0.116 1
1 890 . 13 1 1 A 80 80 GLN HA H 89 4.192 4.120 0.072 1
1 893 . 13 1 1 A 80 80 GLN CA C 89 57.590 58.000 -0.410 1
1 894 . 13 1 1 A 80 80 GLN CB C 89 28.331 27.409 0.922 1
1 896 . 13 1 1 A 80 80 GLN N N 89 121.308 120.666 0.642 1
1 897 . 13 1 1 A 81 81 GLY H H 90 8.791 8.791 0.000 1
1 898 . 13 1 1 A 81 81 GLY HA2 H 90 4.332 3.898 0.434 1
1 899 . 13 1 1 A 81 81 GLY HA3 H 90 3.850 3.926 -0.076 1
1 900 . 13 1 1 A 81 81 GLY CA C 90 45.950 46.837 -0.887 1
1 901 . 13 1 1 A 81 81 GLY N N 90 112.984 110.501 2.483 1
1 902 . 13 1 1 A 82 82 ALA H H 91 7.951 7.712 0.239 1
1 903 . 13 1 1 A 82 82 ALA HA H 91 4.485 4.087 0.398 1
1 907 . 13 1 1 A 82 82 ALA CA C 91 53.404 53.875 -0.471 1
1 908 . 13 1 1 A 82 82 ALA CB C 91 20.762 18.488 2.274 1
1 909 . 13 1 1 A 82 82 ALA N N 91 123.745 123.536 0.209 1
1 910 . 13 1 1 A 83 83 GLY H H 92 8.860 8.901 -0.041 1
1 911 . 13 1 1 A 83 83 GLY HA2 H 92 4.270 4.182 0.088 1
1 912 . 13 1 1 A 83 83 GLY HA3 H 92 4.262 4.252 0.010 1
1 913 . 13 1 1 A 83 83 GLY CA C 92 46.689 45.324 1.365 1
1 914 . 13 1 1 A 83 83 GLY N N 92 105.564 110.893 -5.329 1
1 915 . 13 1 1 A 84 84 PHE H H 93 8.113 7.947 0.166 1
1 916 . 13 1 1 A 84 84 PHE HA H 93 3.440 4.423 -0.983 1
1 924 . 13 1 1 A 84 84 PHE CA C 93 59.932 57.072 2.860 1
1 925 . 13 1 1 A 84 84 PHE CB C 93 39.141 41.404 -2.263 1
1 929 . 13 1 1 A 84 84 PHE N N 93 121.215 120.473 0.742 1
1 930 . 13 1 1 A 85 85 LEU H H 94 8.204 7.230 0.974 1
1 931 . 13 1 1 A 85 85 LEU HA H 94 4.334 4.359 -0.025 1
1 938 . 13 1 1 A 85 85 LEU CA C 94 53.569 55.023 -1.454 1
1 939 . 13 1 1 A 85 85 LEU CB C 94 43.255 43.829 -0.574 1
1 942 . 13 1 1 A 85 85 LEU N N 94 125.432 124.984 0.448 1
1 943 . 13 1 1 A 86 86 GLY HA2 H 95 4.222 3.792 0.430 1
1 944 . 13 1 1 A 86 86 GLY HA3 H 95 3.147 3.829 -0.682 1
1 945 . 13 1 1 A 86 86 GLY CA C 95 45.570 45.564 0.006 1
1 946 . 13 1 1 A 87 87 CYS H H 96 9.230 9.041 0.189 1
1 947 . 13 1 1 A 87 87 CYS HA H 96 5.838 5.410 0.428 1
1 949 . 13 1 1 A 87 87 CYS CA C 96 55.882 57.547 -1.665 1
1 950 . 13 1 1 A 87 87 CYS CB C 96 33.259 29.496 3.763 1
1 951 . 13 1 1 A 87 87 CYS N N 96 114.935 121.576 -6.641 1
1 952 . 13 1 1 A 88 88 VAL H H 97 9.242 9.067 0.175 1
1 953 . 13 1 1 A 88 88 VAL HA H 97 4.575 4.821 -0.246 1
1 961 . 13 1 1 A 88 88 VAL CA C 97 61.769 60.202 1.567 1
1 962 . 13 1 1 A 88 88 VAL CB C 97 35.684 33.935 1.749 1
1 965 . 13 1 1 A 88 88 VAL N N 97 115.966 125.803 -9.837 1
1 966 . 13 1 1 A 89 89 ARG H H 98 8.665 9.190 -0.525 1
1 967 . 13 1 1 A 89 89 ARG HA H 98 5.166 5.091 0.075 1
1 973 . 13 1 1 A 89 89 ARG CA C 98 54.929 54.439 0.490 1
1 974 . 13 1 1 A 89 89 ARG CB C 98 31.961 33.602 -1.641 1
1 977 . 13 1 1 A 89 89 ARG N N 98 125.526 130.030 -4.504 1
1 978 . 13 1 1 A 90 90 LEU H H 99 9.611 8.656 0.955 1
1 979 . 13 1 1 A 90 90 LEU HA H 99 4.644 5.044 -0.400 1
1 989 . 13 1 1 A 90 90 LEU CA C 99 53.217 53.465 -0.248 1
1 990 . 13 1 1 A 90 90 LEU CB C 99 43.339 45.316 -1.977 1
1 994 . 13 1 1 A 90 90 LEU N N 99 127.119 126.725 0.394 1
1 995 . 13 1 1 A 91 91 LEU H H 100 7.953 8.558 -0.605 1
1 996 . 13 1 1 A 91 91 LEU HA H 100 4.540 4.625 -0.085 1
1 1005 . 13 1 1 A 91 91 LEU CA C 100 54.523 54.051 0.472 1
1 1006 . 13 1 1 A 91 91 LEU CB C 100 42.593 42.568 0.025 1
1 1010 . 13 1 1 A 91 91 LEU N N 100 122.527 125.684 -3.157 1
1 1011 . 13 1 1 A 92 92 SER H H 101 8.754 8.372 0.382 1
1 1012 . 13 1 1 A 92 92 SER HA H 101 3.950 4.153 -0.203 1
1 1013 . 13 1 1 A 92 92 SER CA C 101 63.171 61.610 1.561 1
1 1014 . 13 1 1 A 92 92 SER N N 101 115.966 116.222 -0.256 1
1 1015 . 13 1 1 A 93 93 ASN H H 102 7.765 8.576 -0.811 1
1 1016 . 13 1 1 A 93 93 ASN HA H 102 4.500 4.425 0.075 1
1 1020 . 13 1 1 A 93 93 ASN CA C 102 56.487 56.120 0.367 1
1 1021 . 13 1 1 A 93 93 ASN CB C 102 37.514 37.627 -0.113 1
1 1022 . 13 1 1 A 93 93 ASN N N 102 116.950 119.281 -2.331 1
1 1024 . 13 1 1 A 94 94 ALA H H 103 7.345 7.536 -0.191 1
1 1025 . 13 1 1 A 94 94 ALA HA H 103 4.230 4.192 0.038 1
1 1029 . 13 1 1 A 94 94 ALA CA C 103 54.843 55.003 -0.160 1
1 1030 . 13 1 1 A 94 94 ALA CB C 103 19.643 18.448 1.195 1
1 1031 . 13 1 1 A 94 94 ALA N N 103 124.495 121.751 2.744 1
1 1032 . 13 1 1 A 95 95 ILE H H 104 8.322 8.193 0.129 1
1 1033 . 13 1 1 A 95 95 ILE HA H 104 3.280 3.628 -0.348 1
1 1043 . 13 1 1 A 95 95 ILE CA C 104 66.184 64.591 1.593 1
1 1044 . 13 1 1 A 95 95 ILE CB C 104 37.922 37.316 0.606 1
1 1048 . 13 1 1 A 95 95 ILE N N 104 119.310 119.552 -0.242 1
1 1049 . 13 1 1 A 96 96 ASN H H 105 7.815 8.174 -0.359 1
1 1050 . 13 1 1 A 96 96 ASN HA H 105 4.332 4.384 -0.052 1
1 1052 . 13 1 1 A 96 96 ASN CA C 105 56.487 56.477 0.010 1
1 1053 . 13 1 1 A 96 96 ASN CB C 105 38.855 38.895 -0.040 1
1 1054 . 13 1 1 A 96 96 ASN N N 105 114.748 120.482 -5.734 1
1 1055 . 13 1 1 A 97 97 ARG H H 106 7.595 7.789 -0.194 1
1 1056 . 13 1 1 A 97 97 ARG HA H 106 4.257 4.083 0.174 1
1 1061 . 13 1 1 A 97 97 ARG CA C 106 58.294 58.871 -0.577 1
1 1062 . 13 1 1 A 97 97 ARG CB C 106 31.401 29.682 1.719 1
1 1065 . 13 1 1 A 97 97 ARG N N 106 117.934 118.687 -0.753 1
1 1066 . 13 1 1 A 98 98 LEU H H 107 8.179 8.467 -0.288 1
1 1067 . 13 1 1 A 98 98 LEU HA H 107 4.288 4.364 -0.076 1
1 1077 . 13 1 1 A 98 98 LEU CA C 107 55.735 57.610 -1.875 1
1 1078 . 13 1 1 A 98 98 LEU CB C 107 44.264 41.210 3.054 1
1 1082 . 13 1 1 A 98 98 LEU N N 107 116.341 119.537 -3.196 1
1 1083 . 13 1 1 A 99 99 LYS H H 108 8.058 8.731 -0.673 1
1 1084 . 13 1 1 A 99 99 LYS HA H 108 4.078 4.071 0.007 1
1 1091 . 13 1 1 A 99 99 LYS CA C 108 58.256 58.875 -0.619 1
1 1092 . 13 1 1 A 99 99 LYS CB C 108 32.520 32.018 0.502 1
1 1096 . 13 1 1 A 99 99 LYS N N 108 123.558 117.688 5.870 1
1 1097 . 13 1 1 A 100 100 ASP H H 109 9.305 7.631 1.674 1
1 1098 . 13 1 1 A 100 100 ASP HA H 109 4.672 4.555 0.117 1
1 1101 . 13 1 1 A 100 100 ASP CA C 109 57.047 56.542 0.505 1
1 1102 . 13 1 1 A 100 100 ASP CB C 109 39.041 40.828 -1.787 1
1 1103 . 13 1 1 A 100 100 ASP N N 109 115.779 119.312 -3.533 1
1 1104 . 13 1 1 A 101 101 THR H H 110 7.546 7.601 -0.055 1
1 1105 . 13 1 1 A 101 101 THR HA H 110 4.675 4.137 0.538 1
1 1110 . 13 1 1 A 101 101 THR CA C 110 61.895 63.773 -1.878 1
1 1111 . 13 1 1 A 101 101 THR CB C 110 70.432 69.613 0.819 1
1 1113 . 13 1 1 A 101 101 THR N N 110 129.087 110.061 19.026 1
1 1114 . 13 1 1 A 102 102 GLY H H 111 8.921 8.264 0.657 1
1 1115 . 13 1 1 A 102 102 GLY HA2 H 111 4.337 3.755 0.582 1
1 1116 . 13 1 1 A 102 102 GLY HA3 H 111 3.563 3.761 -0.198 1
1 1117 . 13 1 1 A 102 102 GLY CA C 111 44.062 45.340 -1.278 1
1 1118 . 13 1 1 A 102 102 GLY N N 111 112.780 110.875 1.905 1
1 1119 . 13 1 1 A 103 103 TYR H H 112 8.255 8.023 0.232 1
1 1120 . 13 1 1 A 103 103 TYR HA H 112 4.574 5.533 -0.959 1
1 1127 . 13 1 1 A 103 103 TYR CA C 112 59.745 56.539 3.206 1
1 1128 . 13 1 1 A 103 103 TYR CB C 112 38.295 41.250 -2.955 1
1 1131 . 13 1 1 A 103 103 TYR N N 112 117.653 118.571 -0.918 1
1 1132 . 13 1 1 A 104 104 GLN H H 113 9.435 9.047 0.388 1
1 1133 . 13 1 1 A 104 104 GLN HA H 113 4.659 5.022 -0.363 1
1 1140 . 13 1 1 A 104 104 GLN CA C 113 53.852 54.486 -0.634 1
1 1141 . 13 1 1 A 104 104 GLN CB C 113 31.128 31.485 -0.357 1
1 1143 . 13 1 1 A 104 104 GLN N N 113 121.964 123.724 -1.760 1
1 1145 . 13 1 1 A 105 105 ARG H H 114 8.670 8.839 -0.169 1
1 1146 . 13 1 1 A 105 105 ARG HA H 114 4.838 5.165 -0.327 1
1 1151 . 13 1 1 A 105 105 ARG CA C 114 55.090 55.073 0.017 1
1 1152 . 13 1 1 A 105 105 ARG CB C 114 31.401 31.083 0.318 1
1 1155 . 13 1 1 A 105 105 ARG N N 114 122.246 124.626 -2.380 1
1 1156 . 13 1 1 A 106 106 LEU H H 115 9.269 8.856 0.413 1
1 1157 . 13 1 1 A 106 106 LEU HA H 115 4.843 4.813 0.030 1
1 1163 . 13 1 1 A 106 106 LEU CA C 115 53.317 53.642 -0.325 1
1 1164 . 13 1 1 A 106 106 LEU CB C 115 44.570 43.095 1.475 1
1 1166 . 13 1 1 A 106 106 LEU N N 115 126.088 125.445 0.643 1
1 1167 . 13 1 1 A 107 107 ASP H H 116 8.582 8.593 -0.011 1
1 1168 . 13 1 1 A 107 107 ASP HA H 116 4.748 4.531 0.217 1
1 1171 . 13 1 1 A 107 107 ASP CA C 116 55.402 54.628 0.774 1
1 1172 . 13 1 1 A 107 107 ASP CB C 116 41.280 41.310 -0.030 1
1 1173 . 13 1 1 A 107 107 ASP N N 116 122.714 124.964 -2.250 1
1 1174 . 13 1 1 A 108 108 LEU H H 117 8.067 8.668 -0.601 1
1 1175 . 13 1 1 A 108 108 LEU HA H 117 4.195 4.655 -0.460 1
1 1185 . 13 1 1 A 108 108 LEU CA C 117 55.308 54.294 1.014 1
1 1186 . 13 1 1 A 108 108 LEU CB C 117 42.871 40.834 2.037 1
1 1190 . 13 1 1 A 108 108 LEU N N 117 121.121 124.919 -3.798 1
1 1191 . 13 1 1 A 109 109 CYS H H 118 9.705 8.762 0.943 1
1 1192 . 13 1 1 A 109 109 CYS HA H 118 4.839 5.177 -0.338 1
1 1195 . 13 1 1 A 109 109 CYS CA C 118 57.979 57.812 0.167 1
1 1196 . 13 1 1 A 109 109 CYS CB C 118 31.953 32.404 -0.451 1
1 1197 . 13 1 1 A 109 109 CYS N N 118 118.403 123.574 -5.171 1
1 1198 . 13 1 1 A 110 110 LYS H H 119 8.419 8.394 0.025 1
1 1199 . 13 1 1 A 110 110 LYS HA H 119 4.426 4.493 -0.067 1
1 1207 . 13 1 1 A 110 110 LYS CA C 119 56.957 56.483 0.474 1
1 1208 . 13 1 1 A 110 110 LYS CB C 119 34.386 33.095 1.291 1
1 1212 . 13 1 1 A 110 110 LYS N N 119 120.090 121.172 -1.082 1
1 1213 . 13 1 1 A 111 111 LEU H H 120 9.016 8.336 0.680 1
1 1214 . 13 1 1 A 111 111 LEU HA H 120 4.054 3.897 0.157 1
1 1223 . 13 1 1 A 111 111 LEU CA C 120 57.694 56.327 1.367 1
1 1224 . 13 1 1 A 111 111 LEU CB C 120 43.062 42.293 0.769 1
1 1227 . 13 1 1 A 111 111 LEU N N 120 123.089 121.154 1.935 1
1 1228 . 13 1 1 A 112 112 GLY H H 121 7.578 7.114 0.464 1
1 1229 . 13 1 1 A 112 112 GLY HA2 H 121 4.320 4.021 0.299 1
1 1230 . 13 1 1 A 112 112 GLY HA3 H 121 3.863 4.032 -0.169 1
1 1231 . 13 1 1 A 112 112 GLY CA C 121 44.644 44.938 -0.294 1
1 1232 . 13 1 1 A 112 112 GLY N N 121 105.939 104.459 1.480 1
1 1233 . 13 1 1 A 113 113 PRO HA H 122 4.365 4.511 -0.146 1
1 1240 . 13 1 1 A 113 113 PRO CA C 122 64.692 64.011 0.681 1
1 1241 . 13 1 1 A 113 113 PRO CB C 122 32.663 32.077 0.586 1
1 1244 . 13 1 1 A 114 114 ASN H H 123 8.603 8.529 0.074 1
1 1245 . 13 1 1 A 114 114 ASN HA H 123 4.899 4.821 0.078 1
1 1250 . 13 1 1 A 114 114 ASN CA C 123 52.944 53.068 -0.124 1
1 1251 . 13 1 1 A 114 114 ASN CB C 123 39.041 38.805 0.236 1
1 1252 . 13 1 1 A 114 114 ASN N N 123 115.591 115.705 -0.114 1
1 1254 . 13 1 1 A 115 115 ASP H H 124 7.507 7.627 -0.120 1
1 1255 . 13 1 1 A 115 115 ASP HA H 124 4.507 4.944 -0.437 1
1 1258 . 13 1 1 A 115 115 ASP CA C 124 54.843 52.466 2.377 1
1 1259 . 13 1 1 A 115 115 ASP CB C 124 41.620 44.281 -2.661 1
1 1260 . 13 1 1 A 115 115 ASP N N 124 121.215 120.435 0.780 1
1 1261 . 13 1 1 A 116 116 ASN H H 125 8.741 8.802 -0.061 1
1 1262 . 13 1 1 A 116 116 ASN HA H 125 4.823 4.432 0.391 1
1 1267 . 13 1 1 A 116 116 ASN CA C 125 53.447 55.637 -2.190 1
1 1268 . 13 1 1 A 116 116 ASN CB C 125 43.830 38.592 5.238 1
1 1269 . 13 1 1 A 116 116 ASN N N 125 120.137 120.706 -0.569 1
1 1271 . 13 1 1 A 117 117 ASP H H 126 8.039 8.126 -0.087 1
1 1272 . 13 1 1 A 117 117 ASP HA H 126 4.745 4.316 0.429 1
1 1274 . 13 1 1 A 117 117 ASP CA C 126 54.436 54.871 -0.435 1
1 1275 . 13 1 1 A 117 117 ASP CB C 126 42.046 39.475 2.571 1
1 1276 . 13 1 1 A 117 117 ASP N N 126 120.746 119.076 1.670 1
1 1277 . 13 1 1 A 118 118 THR H H 127 8.361 8.073 0.288 1
1 1278 . 13 1 1 A 118 118 THR HA H 127 4.331 4.883 -0.552 1
1 1283 . 13 1 1 A 118 118 THR CA C 127 62.454 59.933 2.521 1
1 1284 . 13 1 1 A 118 118 THR CB C 127 70.191 68.879 1.312 1
1 1286 . 13 1 1 A 118 118 THR N N 127 116.903 115.272 1.631 1
1 1287 . 13 1 1 A 119 119 VAL H H 128 8.152 8.755 -0.603 1
1 1288 . 13 1 1 A 119 119 VAL HA H 128 4.172 4.859 -0.687 1
1 1296 . 13 1 1 A 119 119 VAL CA C 128 61.051 59.783 1.268 1
1 1297 . 13 1 1 A 119 119 VAL CB C 128 35.124 35.981 -0.857 1
1 1300 . 13 1 1 A 119 119 VAL N N 128 119.903 125.616 -5.713 1
1 1301 . 13 1 1 A 120 120 ARG H H 129 7.884 8.639 -0.755 1
1 1302 . 13 1 1 A 120 120 ARG HA H 129 4.719 4.562 0.157 1
1 1307 . 13 1 1 A 120 120 ARG CA C 129 55.555 55.621 -0.066 1
1 1308 . 13 1 1 A 120 120 ARG CB C 129 34.945 32.358 2.587 1
1 1311 . 13 1 1 A 120 120 ARG N N 129 122.621 125.436 -2.815 1
1 1312 . 13 1 1 A 121 121 GLY H H 130 8.289 7.614 0.675 1
1 1313 . 13 1 1 A 121 121 GLY HA2 H 130 4.605 4.012 0.593 1
1 1314 . 13 1 1 A 121 121 GLY HA3 H 130 3.803 4.023 -0.220 1
1 1315 . 13 1 1 A 121 121 GLY CA C 130 45.756 44.551 1.205 1
1 1316 . 13 1 1 A 121 121 GLY N N 130 107.626 109.391 -1.765 1
1 1317 . 13 1 1 A 122 122 GLN H H 131 8.408 8.720 -0.312 1
1 1318 . 13 1 1 A 122 122 GLN HA H 131 5.434 5.229 0.205 1
1 1323 . 13 1 1 A 122 122 GLN CA C 131 54.809 54.125 0.684 1
1 1324 . 13 1 1 A 122 122 GLN CB C 131 34.756 33.334 1.422 1
1 1326 . 13 1 1 A 122 122 GLN N N 131 114.654 119.111 -4.457 1
1 1328 . 13 1 1 A 123 123 ILE H H 132 9.273 8.462 0.811 1
1 1329 . 13 1 1 A 123 123 ILE HA H 132 5.207 4.701 0.506 1
1 1339 . 13 1 1 A 123 123 ILE CA C 132 59.284 60.137 -0.853 1
1 1340 . 13 1 1 A 123 123 ILE CB C 132 44.085 41.561 2.524 1
1 1344 . 13 1 1 A 123 123 ILE N N 132 118.216 121.054 -2.838 1
1 1345 . 13 1 1 A 124 124 VAL H H 133 8.750 9.144 -0.394 1
1 1346 . 13 1 1 A 124 124 VAL HA H 133 5.338 4.832 0.506 1
1 1354 . 13 1 1 A 124 124 VAL CA C 133 61.611 61.497 0.114 1
1 1355 . 13 1 1 A 124 124 VAL CB C 133 32.620 32.896 -0.276 1
1 1358 . 13 1 1 A 124 124 VAL N N 133 126.088 128.688 -2.600 1
1 1359 . 13 1 1 A 125 125 VAL H H 134 8.698 9.228 -0.530 1
1 1360 . 13 1 1 A 125 125 VAL HA H 134 5.859 5.537 0.322 1
1 1368 . 13 1 1 A 125 125 VAL CA C 134 57.880 59.503 -1.623 1
1 1369 . 13 1 1 A 125 125 VAL CB C 134 36.990 36.206 0.784 1
1 1372 . 13 1 1 A 125 125 VAL N N 134 117.895 121.622 -3.727 1
1 1373 . 13 1 1 A 126 126 SER H H 135 8.746 8.818 -0.072 1
1 1374 . 13 1 1 A 126 126 SER HA H 135 4.881 5.307 -0.426 1
1 1377 . 13 1 1 A 126 126 SER CA C 135 56.860 56.751 0.109 1
1 1378 . 13 1 1 A 126 126 SER CB C 135 66.695 65.848 0.847 1
1 1379 . 13 1 1 A 126 126 SER N N 135 112.967 115.358 -2.391 1
1 1380 . 13 1 1 A 127 127 LEU H H 136 9.710 8.975 0.735 1
1 1381 . 13 1 1 A 127 127 LEU HA H 136 5.244 4.989 0.255 1
1 1390 . 13 1 1 A 127 127 LEU CA C 136 54.436 53.483 0.953 1
1 1391 . 13 1 1 A 127 127 LEU CB C 136 46.137 42.438 3.699 1
1 1395 . 13 1 1 A 127 127 LEU N N 136 125.760 126.583 -0.823 1
1 1396 . 13 1 1 A 128 128 GLN H H 137 9.256 8.348 0.908 1
1 1397 . 13 1 1 A 128 128 GLN HA H 137 5.128 5.766 -0.638 1
1 1404 . 13 1 1 A 128 128 GLN CA C 137 54.063 54.643 -0.580 1
1 1405 . 13 1 1 A 128 128 GLN CB C 137 34.063 32.374 1.689 1
1 1407 . 13 1 1 A 128 128 GLN N N 137 125.526 125.871 -0.345 1
1 1409 . 13 1 1 A 129 129 SER H H 138 8.222 8.640 -0.418 1
1 1410 . 13 1 1 A 129 129 SER HA H 138 4.476 4.720 -0.244 1
1 1413 . 13 1 1 A 129 129 SER CA C 138 60.814 57.496 3.318 1
1 1414 . 13 1 1 A 129 129 SER CB C 138 63.116 63.842 -0.726 1
1 1415 . 13 1 1 A 129 129 SER N N 138 125.620 118.800 6.820 1
1 1416 . 13 1 1 A 130 130 ARG H H 139 8.032 8.909 -0.877 1
1 1417 . 13 1 1 A 130 130 ARG HA H 139 4.601 4.495 0.106 1
1 1424 . 13 1 1 A 130 130 ARG CA C 139 53.934 55.124 -1.190 1
1 1425 . 13 1 1 A 130 130 ARG CB C 139 32.334 31.873 0.461 1
1 1428 . 13 1 1 A 130 130 ARG N N 139 123.136 124.336 -1.200 1
1 6 . 14 1 1 A 2 2 PRO HA H 11 4.498 4.792 -0.294 1
1 11 . 14 1 1 A 2 2 PRO CA C 11 63.103 62.923 0.180 1
1 12 . 14 1 1 A 2 2 PRO CB C 11 32.993 32.571 0.422 1
1 15 . 14 1 1 A 3 3 VAL H H 12 8.356 8.092 0.264 1
1 16 . 14 1 1 A 3 3 VAL HA H 12 4.370 5.015 -0.645 1
1 24 . 14 1 1 A 3 3 VAL CA C 12 60.982 59.224 1.758 1
1 25 . 14 1 1 A 3 3 VAL CB C 12 34.005 34.750 -0.745 1
1 28 . 14 1 1 A 3 3 VAL N N 12 119.528 115.470 4.058 1
1 29 . 14 1 1 A 4 4 LYS H H 13 8.542 8.859 -0.317 1
1 30 . 14 1 1 A 4 4 LYS HA H 13 4.752 4.529 0.223 1
1 38 . 14 1 1 A 4 4 LYS CA C 13 55.339 55.706 -0.367 1
1 39 . 14 1 1 A 4 4 LYS CB C 13 33.640 33.144 0.496 1
1 43 . 14 1 1 A 4 4 LYS N N 13 125.901 124.957 0.944 1
1 44 . 14 1 1 A 5 5 LEU H H 14 8.887 8.901 -0.014 1
1 45 . 14 1 1 A 5 5 LEU HA H 14 4.927 5.084 -0.157 1
1 51 . 14 1 1 A 5 5 LEU CA C 14 52.944 53.808 -0.864 1
1 52 . 14 1 1 A 5 5 LEU CB C 14 47.069 44.287 2.782 1
1 54 . 14 1 1 A 5 5 LEU N N 14 126.276 129.006 -2.730 1
1 55 . 14 1 1 A 6 6 ARG H H 15 9.361 8.674 0.687 1
1 56 . 14 1 1 A 6 6 ARG HA H 15 5.205 5.103 0.102 1
1 61 . 14 1 1 A 6 6 ARG CA C 15 55.064 54.639 0.425 1
1 62 . 14 1 1 A 6 6 ARG CB C 15 31.979 32.880 -0.901 1
1 64 . 14 1 1 A 6 6 ARG N N 15 123.745 128.603 -4.858 1
1 65 . 14 1 1 A 7 7 LEU H H 16 9.694 8.743 0.951 1
1 66 . 14 1 1 A 7 7 LEU HA H 16 5.437 5.032 0.405 1
1 73 . 14 1 1 A 7 7 LEU CA C 16 53.777 53.479 0.298 1
1 74 . 14 1 1 A 7 7 LEU CB C 16 45.577 44.386 1.191 1
1 77 . 14 1 1 A 7 7 LEU N N 16 111.467 129.342 -17.875 1
1 78 . 14 1 1 A 8 8 THR H H 17 9.470 9.144 0.326 1
1 79 . 14 1 1 A 8 8 THR HA H 17 4.904 4.928 -0.024 1
1 84 . 14 1 1 A 8 8 THR CA C 17 62.827 62.267 0.560 1
1 85 . 14 1 1 A 8 8 THR CB C 17 69.540 69.301 0.239 1
1 87 . 14 1 1 A 8 8 THR N N 17 124.589 124.218 0.371 1
1 88 . 14 1 1 A 9 9 VAL H H 18 9.339 9.140 0.199 1
1 89 . 14 1 1 A 9 9 VAL HA H 18 4.374 4.167 0.207 1
1 97 . 14 1 1 A 9 9 VAL CA C 18 61.708 63.100 -1.392 1
1 98 . 14 1 1 A 9 9 VAL CB C 18 31.021 30.635 0.386 1
1 101 . 14 1 1 A 9 9 VAL N N 18 127.963 127.934 0.029 1
1 102 . 14 1 1 A 10 10 LEU H H 19 8.957 8.343 0.614 1
1 103 . 14 1 1 A 10 10 LEU HA H 19 4.334 4.260 0.074 1
1 113 . 14 1 1 A 10 10 LEU CA C 19 59.232 57.850 1.382 1
1 114 . 14 1 1 A 10 10 LEU CB C 19 43.525 42.709 0.816 1
1 118 . 14 1 1 A 10 10 LEU N N 19 127.775 129.490 -1.715 1
1 119 . 14 1 1 A 11 11 CYS H H 20 8.038 7.612 0.426 1
1 120 . 14 1 1 A 11 11 CYS HA H 20 5.152 4.651 0.501 1
1 123 . 14 1 1 A 11 11 CYS CA C 20 55.928 57.297 -1.369 1
1 124 . 14 1 1 A 11 11 CYS CB C 20 30.655 30.147 0.508 1
1 125 . 14 1 1 A 11 11 CYS N N 20 109.968 112.759 -2.791 1
1 126 . 14 1 1 A 12 12 ALA H H 21 8.485 8.481 0.004 1
1 127 . 14 1 1 A 12 12 ALA HA H 21 5.397 5.412 -0.015 1
1 131 . 14 1 1 A 12 12 ALA CA C 21 50.707 50.605 0.102 1
1 132 . 14 1 1 A 12 12 ALA CB C 21 22.550 23.578 -1.028 1
1 133 . 14 1 1 A 12 12 ALA N N 21 119.247 123.587 -4.340 1
1 134 . 14 1 1 A 13 13 LYS H H 22 8.905 8.778 0.127 1
1 135 . 14 1 1 A 13 13 LYS HA H 22 5.144 4.766 0.378 1
1 141 . 14 1 1 A 13 13 LYS CA C 22 54.063 54.382 -0.319 1
1 142 . 14 1 1 A 13 13 LYS CB C 22 37.217 35.945 1.272 1
1 146 . 14 1 1 A 13 13 LYS N N 22 117.934 119.238 -1.304 1
1 147 . 14 1 1 A 14 14 ASN H H 23 9.099 8.804 0.295 1
1 148 . 14 1 1 A 14 14 ASN HA H 23 4.187 4.267 -0.080 1
1 153 . 14 1 1 A 14 14 ASN CA C 23 53.735 53.989 -0.254 1
1 154 . 14 1 1 A 14 14 ASN CB C 23 37.736 37.215 0.521 1
1 155 . 14 1 1 A 14 14 ASN N N 23 118.684 117.932 0.752 1
1 157 . 14 1 1 A 15 15 LEU H H 24 8.294 8.550 -0.256 1
1 158 . 14 1 1 A 15 15 LEU HA H 24 5.161 4.696 0.465 1
1 165 . 14 1 1 A 15 15 LEU CA C 24 55.261 53.454 1.807 1
1 166 . 14 1 1 A 15 15 LEU CB C 24 42.966 43.412 -0.446 1
1 169 . 14 1 1 A 15 15 LEU N N 24 114.373 124.309 -9.936 1
1 170 . 14 1 1 A 16 16 VAL H H 25 8.533 8.524 0.009 1
1 171 . 14 1 1 A 16 16 VAL HA H 25 3.635 3.999 -0.364 1
1 179 . 14 1 1 A 16 16 VAL CA C 25 62.318 63.102 -0.784 1
1 180 . 14 1 1 A 16 16 VAL CB C 25 33.064 32.475 0.589 1
1 183 . 14 1 1 A 16 16 VAL N N 25 119.200 125.633 -6.433 1
1 184 . 14 1 1 A 17 17 LYS H H 26 7.950 8.290 -0.340 1
1 185 . 14 1 1 A 17 17 LYS HA H 26 4.302 3.980 0.322 1
1 192 . 14 1 1 A 17 17 LYS CA C 26 54.150 58.367 -4.217 1
1 193 . 14 1 1 A 17 17 LYS CB C 26 33.826 32.066 1.760 1
1 197 . 14 1 1 A 17 17 LYS N N 26 128.056 126.578 1.478 1
1 198 . 14 1 1 A 18 18 LYS H H 27 8.549 7.799 0.750 1
1 199 . 14 1 1 A 18 18 LYS HA H 27 4.078 3.844 0.234 1
1 207 . 14 1 1 A 18 18 LYS CA C 27 58.626 58.591 0.035 1
1 208 . 14 1 1 A 18 18 LYS CB C 27 33.826 31.041 2.785 1
1 211 . 14 1 1 A 18 18 LYS N N 27 125.760 114.380 11.380 1
1 212 . 14 1 1 A 19 19 ASP H H 28 8.438 8.382 0.056 1
1 213 . 14 1 1 A 19 19 ASP HA H 28 4.801 4.890 -0.089 1
1 216 . 14 1 1 A 19 19 ASP CA C 28 52.964 53.785 -0.821 1
1 217 . 14 1 1 A 19 19 ASP CB C 28 43.518 40.565 2.953 1
1 218 . 14 1 1 A 19 19 ASP N N 28 119.247 120.870 -1.623 1
1 219 . 14 1 1 A 20 20 PHE H H 29 8.506 7.956 0.550 1
1 220 . 14 1 1 A 20 20 PHE HA H 29 4.049 4.023 0.026 1
1 227 . 14 1 1 A 20 20 PHE CA C 29 60.767 60.688 0.079 1
1 228 . 14 1 1 A 20 20 PHE CB C 29 39.305 37.371 1.934 1
1 231 . 14 1 1 A 20 20 PHE N N 29 122.011 114.272 7.739 1
1 232 . 14 1 1 A 21 21 PHE H H 30 8.350 8.480 -0.130 1
1 233 . 14 1 1 A 21 21 PHE HA H 30 4.677 4.288 0.389 1
1 240 . 14 1 1 A 21 21 PHE CA C 30 57.789 62.383 -4.594 1
1 241 . 14 1 1 A 21 21 PHE CB C 30 40.824 39.035 1.789 1
1 244 . 14 1 1 A 21 21 PHE N N 30 113.764 118.965 -5.201 1
1 245 . 14 1 1 A 22 22 ARG H H 31 7.631 8.160 -0.529 1
1 246 . 14 1 1 A 22 22 ARG HA H 31 4.614 4.533 0.081 1
1 252 . 14 1 1 A 22 22 ARG CA C 31 55.325 56.662 -1.337 1
1 253 . 14 1 1 A 22 22 ARG CB C 31 33.640 31.721 1.919 1
1 256 . 14 1 1 A 22 22 ARG N N 31 118.778 118.628 0.150 1
1 257 . 14 1 1 A 23 23 LEU H H 32 8.699 8.399 0.300 1
1 258 . 14 1 1 A 23 23 LEU HA H 32 4.509 4.866 -0.357 1
1 268 . 14 1 1 A 23 23 LEU CA C 32 52.758 51.042 1.716 1
1 269 . 14 1 1 A 23 23 LEU CB C 32 42.593 45.545 -2.952 1
1 273 . 14 1 1 A 23 23 LEU N N 32 123.464 121.174 2.290 1
1 274 . 14 1 1 A 24 24 PRO HA H 33 4.648 5.024 -0.376 1
1 281 . 14 1 1 A 24 24 PRO CA C 33 62.753 62.170 0.583 1
1 282 . 14 1 1 A 24 24 PRO CB C 33 33.965 32.407 1.558 1
1 285 . 14 1 1 A 25 25 ASP H H 34 7.463 8.653 -1.190 1
1 286 . 14 1 1 A 25 25 ASP HA H 34 6.052 5.890 0.162 1
1 289 . 14 1 1 A 25 25 ASP CA C 34 51.080 51.828 -0.748 1
1 290 . 14 1 1 A 25 25 ASP CB C 34 42.779 41.685 1.094 1
1 291 . 14 1 1 A 25 25 ASP N N 34 117.091 121.775 -4.684 1
1 292 . 14 1 1 A 26 26 PRO HA H 35 5.968 5.053 0.915 1
1 299 . 14 1 1 A 26 26 PRO CA C 35 62.827 62.958 -0.131 1
1 300 . 14 1 1 A 26 26 PRO CB C 35 35.132 32.796 2.336 1
1 303 . 14 1 1 A 27 27 PHE H H 36 9.284 8.844 0.440 1
1 304 . 14 1 1 A 27 27 PHE HA H 36 5.009 5.267 -0.258 1
1 312 . 14 1 1 A 27 27 PHE CA C 36 56.301 56.148 0.153 1
1 313 . 14 1 1 A 27 27 PHE CB C 36 42.689 41.356 1.333 1
1 317 . 14 1 1 A 27 27 PHE N N 36 120.090 118.800 1.290 1
1 318 . 14 1 1 A 28 28 ALA H H 37 8.408 8.685 -0.277 1
1 319 . 14 1 1 A 28 28 ALA HA H 37 5.481 5.238 0.243 1
1 323 . 14 1 1 A 28 28 ALA CA C 37 49.186 49.804 -0.618 1
1 324 . 14 1 1 A 28 28 ALA CB C 37 20.389 22.599 -2.210 1
1 325 . 14 1 1 A 28 28 ALA N N 37 122.433 121.315 1.118 1
1 326 . 14 1 1 A 29 29 LYS H H 38 9.617 8.751 0.866 1
1 327 . 14 1 1 A 29 29 LYS HA H 38 5.267 5.551 -0.284 1
1 335 . 14 1 1 A 29 29 LYS CA C 38 54.901 55.001 -0.100 1
1 336 . 14 1 1 A 29 29 LYS CB C 38 36.624 35.726 0.898 1
1 340 . 14 1 1 A 29 29 LYS N N 38 121.964 119.127 2.837 1
1 341 . 14 1 1 A 30 30 VAL H H 39 9.159 9.079 0.080 1
1 342 . 14 1 1 A 30 30 VAL HA H 39 4.494 4.697 -0.203 1
1 350 . 14 1 1 A 30 30 VAL CA C 39 61.335 62.059 -0.724 1
1 351 . 14 1 1 A 30 30 VAL CB C 39 34.954 32.509 2.445 1
1 354 . 14 1 1 A 30 30 VAL N N 39 124.497 124.550 -0.053 1
1 355 . 14 1 1 A 31 31 VAL H H 40 8.659 8.763 -0.104 1
1 356 . 14 1 1 A 31 31 VAL HA H 40 5.091 4.923 0.168 1
1 364 . 14 1 1 A 31 31 VAL CA C 40 59.898 59.613 0.285 1
1 365 . 14 1 1 A 31 31 VAL CB C 40 36.959 35.686 1.273 1
1 368 . 14 1 1 A 31 31 VAL N N 40 124.589 120.922 3.667 1
1 369 . 14 1 1 A 32 32 VAL H H 41 7.786 9.016 -1.230 1
1 370 . 14 1 1 A 32 32 VAL HA H 41 4.660 4.591 0.069 1
1 378 . 14 1 1 A 32 32 VAL CA C 41 62.268 61.254 1.014 1
1 379 . 14 1 1 A 32 32 VAL CB C 41 30.995 33.204 -2.209 1
1 382 . 14 1 1 A 32 32 VAL N N 41 125.385 124.972 0.413 1
1 383 . 14 1 1 A 33 33 ASP H H 42 8.568 8.914 -0.346 1
1 384 . 14 1 1 A 33 33 ASP HA H 42 4.310 4.581 -0.271 1
1 386 . 14 1 1 A 33 33 ASP CA C 42 57.321 53.523 3.798 1
1 387 . 14 1 1 A 33 33 ASP CB C 42 40.727 39.915 0.812 1
1 388 . 14 1 1 A 33 33 ASP N N 42 130.868 126.716 4.152 1
1 389 . 14 1 1 A 34 34 GLY HA2 H 43 4.230 4.125 0.105 1
1 390 . 14 1 1 A 34 34 GLY HA3 H 43 3.818 4.131 -0.313 1
1 391 . 14 1 1 A 34 34 GLY CA C 43 46.510 45.699 0.811 1
1 392 . 14 1 1 A 35 35 SER H H 44 8.049 7.827 0.222 1
1 393 . 14 1 1 A 35 35 SER HA H 44 4.928 4.719 0.209 1
1 396 . 14 1 1 A 35 35 SER CA C 44 58.067 58.100 -0.033 1
1 397 . 14 1 1 A 35 35 SER CB C 44 67.393 65.803 1.590 1
1 398 . 14 1 1 A 35 35 SER N N 44 115.029 111.953 3.076 1
1 399 . 14 1 1 A 36 36 GLY H H 45 8.637 8.163 0.474 1
1 400 . 14 1 1 A 36 36 GLY HA2 H 45 4.338 3.912 0.426 1
1 401 . 14 1 1 A 36 36 GLY HA3 H 45 3.884 3.916 -0.032 1
1 402 . 14 1 1 A 36 36 GLY CA C 45 46.137 45.090 1.047 1
1 403 . 14 1 1 A 36 36 GLY N N 45 109.265 110.937 -1.672 1
1 404 . 14 1 1 A 37 37 GLN H H 46 8.329 7.660 0.669 1
1 405 . 14 1 1 A 37 37 GLN HA H 46 4.339 4.305 0.034 1
1 412 . 14 1 1 A 37 37 GLN CA C 46 56.002 56.820 -0.818 1
1 413 . 14 1 1 A 37 37 GLN CB C 46 30.241 29.452 0.789 1
1 415 . 14 1 1 A 37 37 GLN N N 46 120.699 120.639 0.060 1
1 417 . 14 1 1 A 38 38 CYS H H 47 7.787 8.588 -0.801 1
1 418 . 14 1 1 A 38 38 CYS HA H 47 5.257 5.715 -0.458 1
1 420 . 14 1 1 A 38 38 CYS CA C 47 56.761 56.731 0.030 1
1 421 . 14 1 1 A 38 38 CYS CB C 47 29.250 30.518 -1.268 1
1 422 . 14 1 1 A 38 38 CYS N N 47 124.214 124.225 -0.011 1
1 423 . 14 1 1 A 39 39 HIS H H 48 8.906 8.615 0.291 1
1 424 . 14 1 1 A 39 39 HIS HA H 48 4.730 5.016 -0.286 1
1 428 . 14 1 1 A 39 39 HIS CA C 48 54.888 54.200 0.688 1
1 429 . 14 1 1 A 39 39 HIS CB C 48 34.688 34.404 0.284 1
1 431 . 14 1 1 A 39 39 HIS N N 48 125.807 123.024 2.783 1
1 432 . 14 1 1 A 40 40 SER H H 49 8.728 8.551 0.177 1
1 433 . 14 1 1 A 40 40 SER HA H 49 5.732 5.489 0.243 1
1 436 . 14 1 1 A 40 40 SER CA C 49 57.041 57.360 -0.319 1
1 437 . 14 1 1 A 40 40 SER CB C 49 66.274 66.443 -0.169 1
1 438 . 14 1 1 A 40 40 SER N N 49 116.034 114.124 1.910 1
1 439 . 14 1 1 A 41 41 THR H H 50 9.212 8.692 0.520 1
1 440 . 14 1 1 A 41 41 THR HA H 50 4.477 4.961 -0.484 1
1 445 . 14 1 1 A 41 41 THR CA C 50 61.457 60.239 1.218 1
1 446 . 14 1 1 A 41 41 THR CB C 50 72.337 70.293 2.044 1
1 448 . 14 1 1 A 41 41 THR N N 50 115.404 113.300 2.104 1
1 449 . 14 1 1 A 42 42 ASP H H 51 9.424 8.680 0.744 1
1 450 . 14 1 1 A 42 42 ASP HA H 51 4.676 4.614 0.062 1
1 453 . 14 1 1 A 42 42 ASP CA C 51 54.996 54.568 0.428 1
1 454 . 14 1 1 A 42 42 ASP CB C 51 41.543 41.202 0.341 1
1 455 . 14 1 1 A 42 42 ASP N N 51 119.340 122.049 -2.709 1
1 456 . 14 1 1 A 43 43 THR H H 52 8.650 8.537 0.113 1
1 457 . 14 1 1 A 43 43 THR HA H 52 4.858 5.030 -0.172 1
1 462 . 14 1 1 A 43 43 THR CA C 52 62.637 62.094 0.543 1
1 463 . 14 1 1 A 43 43 THR CB C 52 70.191 70.479 -0.288 1
1 465 . 14 1 1 A 43 43 THR N N 52 117.836 117.946 -0.110 1
1 466 . 14 1 1 A 44 44 VAL H H 53 8.266 9.073 -0.807 1
1 467 . 14 1 1 A 44 44 VAL HA H 53 4.363 4.500 -0.137 1
1 475 . 14 1 1 A 44 44 VAL CA C 53 61.086 61.165 -0.079 1
1 476 . 14 1 1 A 44 44 VAL CB C 53 33.361 33.030 0.331 1
1 479 . 14 1 1 A 44 44 VAL N N 53 127.775 126.680 1.095 1
1 480 . 14 1 1 A 45 45 LYS H H 54 8.163 8.644 -0.481 1
1 481 . 14 1 1 A 45 45 LYS HA H 54 4.229 4.532 -0.303 1
1 487 . 14 1 1 A 45 45 LYS CA C 54 56.627 57.118 -0.491 1
1 488 . 14 1 1 A 45 45 LYS CB C 54 33.739 32.547 1.192 1
1 492 . 14 1 1 A 45 45 LYS N N 54 120.934 127.595 -6.661 1
1 493 . 14 1 1 A 46 46 ASN H H 55 9.642 8.914 0.728 1
1 494 . 14 1 1 A 46 46 ASN HA H 55 4.150 4.652 -0.502 1
1 499 . 14 1 1 A 46 46 ASN CA C 55 54.029 53.810 0.219 1
1 500 . 14 1 1 A 46 46 ASN CB C 55 38.668 36.169 2.499 1
1 501 . 14 1 1 A 46 46 ASN N N 55 121.215 121.989 -0.774 1
1 503 . 14 1 1 A 47 47 THR H H 56 8.246 8.121 0.125 1
1 504 . 14 1 1 A 47 47 THR HA H 56 4.661 4.840 -0.179 1
1 509 . 14 1 1 A 47 47 THR CA C 56 60.963 60.305 0.658 1
1 510 . 14 1 1 A 47 47 THR CB C 56 68.512 69.949 -1.437 1
1 512 . 14 1 1 A 47 47 THR N N 56 111.936 118.086 -6.150 1
1 513 . 14 1 1 A 48 48 LEU H H 57 8.245 8.563 -0.318 1
1 514 . 14 1 1 A 48 48 LEU HA H 57 4.410 4.687 -0.277 1
1 524 . 14 1 1 A 48 48 LEU CA C 57 53.641 54.035 -0.394 1
1 525 . 14 1 1 A 48 48 LEU CB C 57 41.570 42.670 -1.100 1
1 529 . 14 1 1 A 48 48 LEU N N 57 122.433 125.021 -2.588 1
1 530 . 14 1 1 A 49 49 ASP H H 58 8.544 7.883 0.661 1
1 531 . 14 1 1 A 49 49 ASP HA H 58 5.419 5.001 0.418 1
1 534 . 14 1 1 A 49 49 ASP CA C 58 51.826 51.789 0.037 1
1 535 . 14 1 1 A 49 49 ASP CB C 58 44.085 40.524 3.561 1
1 536 . 14 1 1 A 49 49 ASP N N 58 116.903 117.430 -0.527 1
1 537 . 14 1 1 A 50 50 PRO HA H 59 3.790 4.518 -0.728 1
1 543 . 14 1 1 A 50 50 PRO CA C 59 63.219 62.023 1.196 1
1 544 . 14 1 1 A 50 50 PRO CB C 59 32.661 32.738 -0.077 1
1 547 . 14 1 1 A 51 51 LYS H H 60 7.806 7.964 -0.158 1
1 548 . 14 1 1 A 51 51 LYS HA H 60 4.224 4.749 -0.525 1
1 555 . 14 1 1 A 51 51 LYS CA C 60 55.521 54.595 0.926 1
1 556 . 14 1 1 A 51 51 LYS CB C 60 33.826 36.177 -2.351 1
1 560 . 14 1 1 A 51 51 LYS N N 60 119.996 116.663 3.333 1
1 561 . 14 1 1 A 52 52 TRP H H 61 7.791 8.248 -0.457 1
1 562 . 14 1 1 A 52 52 TRP HA H 61 4.824 4.862 -0.038 1
1 570 . 14 1 1 A 52 52 TRP CA C 61 60.590 57.648 2.942 1
1 571 . 14 1 1 A 52 52 TRP CB C 61 29.715 31.378 -1.663 1
1 576 . 14 1 1 A 52 52 TRP N N 61 122.386 120.291 2.095 1
1 578 . 14 1 1 A 53 53 ASN H H 62 9.040 8.017 1.023 1
1 579 . 14 1 1 A 53 53 ASN HA H 62 4.419 4.464 -0.045 1
1 584 . 14 1 1 A 53 53 ASN CA C 62 53.789 54.132 -0.343 1
1 585 . 14 1 1 A 53 53 ASN CB C 62 37.922 36.249 1.673 1
1 586 . 14 1 1 A 53 53 ASN N N 62 117.185 117.514 -0.329 1
1 588 . 14 1 1 A 54 54 GLN H H 63 7.512 7.353 0.159 1
1 589 . 14 1 1 A 54 54 GLN HA H 63 4.584 4.717 -0.133 1
1 596 . 14 1 1 A 54 54 GLN CA C 63 55.008 54.273 0.735 1
1 597 . 14 1 1 A 54 54 GLN CB C 63 34.938 31.139 3.799 1
1 599 . 14 1 1 A 54 54 GLN N N 63 116.341 118.388 -2.047 1
1 601 . 14 1 1 A 55 55 HIS H H 64 7.782 8.101 -0.319 1
1 602 . 14 1 1 A 55 55 HIS HA H 64 5.796 5.794 0.002 1
1 606 . 14 1 1 A 55 55 HIS CA C 64 53.059 53.171 -0.112 1
1 607 . 14 1 1 A 55 55 HIS CB C 64 34.378 33.342 1.036 1
1 609 . 14 1 1 A 55 55 HIS N N 64 118.403 117.627 0.776 1
1 610 . 14 1 1 A 56 56 TYR H H 65 8.657 8.590 0.067 1
1 611 . 14 1 1 A 56 56 TYR HA H 65 4.404 4.819 -0.415 1
1 618 . 14 1 1 A 56 56 TYR CA C 65 57.430 56.370 1.060 1
1 619 . 14 1 1 A 56 56 TYR CB C 65 42.958 41.695 1.263 1
1 622 . 14 1 1 A 56 56 TYR N N 65 116.435 119.586 -3.151 1
1 623 . 14 1 1 A 57 57 ASP H H 66 8.772 8.786 -0.014 1
1 624 . 14 1 1 A 57 57 ASP HA H 66 5.283 5.186 0.097 1
1 627 . 14 1 1 A 57 57 ASP CA C 66 54.250 53.803 0.447 1
1 628 . 14 1 1 A 57 57 ASP CB C 66 40.914 41.874 -0.960 1
1 629 . 14 1 1 A 57 57 ASP N N 66 124.776 123.034 1.742 1
1 630 . 14 1 1 A 58 58 LEU H H 67 9.175 8.673 0.502 1
1 631 . 14 1 1 A 58 58 LEU HA H 67 4.589 4.862 -0.273 1
1 641 . 14 1 1 A 58 58 LEU CA C 67 53.131 53.668 -0.537 1
1 642 . 14 1 1 A 58 58 LEU CB C 67 45.060 45.324 -0.264 1
1 645 . 14 1 1 A 58 58 LEU N N 67 124.558 124.880 -0.322 1
1 646 . 14 1 1 A 59 59 TYR H H 68 8.877 8.693 0.184 1
1 647 . 14 1 1 A 59 59 TYR HA H 68 5.096 5.153 -0.057 1
1 654 . 14 1 1 A 59 59 TYR CA C 68 57.606 58.515 -0.909 1
1 655 . 14 1 1 A 59 59 TYR CB C 68 39.422 39.647 -0.225 1
1 658 . 14 1 1 A 59 59 TYR N N 68 121.215 122.875 -1.660 1
1 659 . 14 1 1 A 60 60 ILE H H 69 9.162 8.725 0.437 1
1 660 . 14 1 1 A 60 60 ILE HA H 69 4.551 4.563 -0.012 1
1 670 . 14 1 1 A 60 60 ILE CA C 69 59.471 60.009 -0.538 1
1 671 . 14 1 1 A 60 60 ILE CB C 69 40.500 39.785 0.715 1
1 675 . 14 1 1 A 60 60 ILE N N 69 124.823 123.469 1.354 1
1 676 . 14 1 1 A 61 61 GLY H H 70 9.960 8.720 1.240 1
1 677 . 14 1 1 A 61 61 GLY HA2 H 70 4.517 4.074 0.443 1
1 678 . 14 1 1 A 61 61 GLY HA3 H 70 3.881 4.081 -0.200 1
1 679 . 14 1 1 A 61 61 GLY CA C 70 44.083 44.527 -0.444 1
1 680 . 14 1 1 A 61 61 GLY N N 70 117.841 114.485 3.356 1
1 681 . 14 1 1 A 62 62 LYS H H 71 8.605 8.843 -0.238 1
1 682 . 14 1 1 A 62 62 LYS HA H 71 4.090 3.883 0.207 1
1 687 . 14 1 1 A 62 62 LYS CA C 71 59.447 59.237 0.210 1
1 688 . 14 1 1 A 62 62 LYS CB C 71 33.453 32.515 0.938 1
1 692 . 14 1 1 A 62 62 LYS N N 71 119.434 120.356 -0.922 1
1 693 . 14 1 1 A 63 63 SER H H 72 8.544 8.037 0.507 1
1 694 . 14 1 1 A 63 63 SER HA H 72 4.811 4.682 0.129 1
1 696 . 14 1 1 A 63 63 SER CA C 72 57.606 56.795 0.811 1
1 697 . 14 1 1 A 63 63 SER CB C 72 64.013 63.702 0.311 1
1 698 . 14 1 1 A 63 63 SER N N 72 111.842 113.986 -2.144 1
1 699 . 14 1 1 A 64 64 ASP H H 73 7.247 8.557 -1.310 1
1 700 . 14 1 1 A 64 64 ASP HA H 73 4.867 5.467 -0.600 1
1 702 . 14 1 1 A 64 64 ASP CA C 73 55.500 52.720 2.780 1
1 703 . 14 1 1 A 64 64 ASP CB C 73 43.331 44.577 -1.246 1
1 704 . 14 1 1 A 64 64 ASP N N 73 121.964 125.903 -3.939 1
1 705 . 14 1 1 A 65 65 SER H H 74 8.742 8.744 -0.002 1
1 706 . 14 1 1 A 65 65 SER HA H 74 5.074 5.254 -0.180 1
1 708 . 14 1 1 A 65 65 SER CA C 74 56.301 56.875 -0.574 1
1 709 . 14 1 1 A 65 65 SER CB C 74 67.579 66.911 0.668 1
1 710 . 14 1 1 A 65 65 SER N N 74 111.936 115.285 -3.349 1
1 711 . 14 1 1 A 66 66 VAL H H 75 8.622 8.377 0.245 1
1 712 . 14 1 1 A 66 66 VAL HA H 75 5.095 5.046 0.049 1
1 720 . 14 1 1 A 66 66 VAL CA C 75 60.217 60.423 -0.206 1
1 721 . 14 1 1 A 66 66 VAL CB C 75 36.617 35.720 0.897 1
1 724 . 14 1 1 A 66 66 VAL N N 75 119.422 120.127 -0.705 1
1 725 . 14 1 1 A 67 67 THR H H 76 9.152 8.674 0.478 1
1 726 . 14 1 1 A 67 67 THR HA H 76 5.199 5.009 0.190 1
1 731 . 14 1 1 A 67 67 THR CA C 76 63.014 61.956 1.058 1
1 732 . 14 1 1 A 67 67 THR CB C 76 69.703 71.350 -1.647 1
1 734 . 14 1 1 A 67 67 THR N N 76 123.839 122.222 1.617 1
1 735 . 14 1 1 A 68 68 ILE H H 77 9.106 9.045 0.061 1
1 736 . 14 1 1 A 68 68 ILE HA H 77 5.389 4.844 0.545 1
1 746 . 14 1 1 A 68 68 ILE CA C 77 59.844 60.391 -0.547 1
1 747 . 14 1 1 A 68 68 ILE CB C 77 40.347 39.105 1.242 1
1 751 . 14 1 1 A 68 68 ILE N N 77 129.275 129.887 -0.612 1
1 752 . 14 1 1 A 69 69 SER H H 78 9.645 9.143 0.502 1
1 753 . 14 1 1 A 69 69 SER HA H 78 5.265 5.143 0.122 1
1 756 . 14 1 1 A 69 69 SER CA C 78 56.114 56.530 -0.416 1
1 757 . 14 1 1 A 69 69 SER CB C 78 66.087 65.234 0.853 1
1 758 . 14 1 1 A 69 69 SER N N 78 120.559 123.215 -2.656 1
1 759 . 14 1 1 A 70 70 VAL H H 79 8.482 8.784 -0.302 1
1 760 . 14 1 1 A 70 70 VAL HA H 79 4.676 4.517 0.159 1
1 768 . 14 1 1 A 70 70 VAL CA C 79 60.852 61.175 -0.323 1
1 769 . 14 1 1 A 70 70 VAL CB C 79 32.992 32.774 0.218 1
1 772 . 14 1 1 A 70 70 VAL N N 79 121.777 126.606 -4.829 1
1 773 . 14 1 1 A 71 71 TRP H H 80 8.627 8.563 0.064 1
1 774 . 14 1 1 A 71 71 TRP HA H 80 4.930 5.030 -0.100 1
1 783 . 14 1 1 A 71 71 TRP CA C 80 55.182 54.944 0.238 1
1 784 . 14 1 1 A 71 71 TRP CB C 80 34.058 32.161 1.897 1
1 790 . 14 1 1 A 71 71 TRP N N 80 124.474 127.293 -2.819 1
1 792 . 14 1 1 A 72 72 ASN H H 81 9.891 8.899 0.992 1
1 793 . 14 1 1 A 72 72 ASN HA H 81 4.789 4.975 -0.186 1
1 798 . 14 1 1 A 72 72 ASN CA C 81 51.049 51.662 -0.613 1
1 799 . 14 1 1 A 72 72 ASN CB C 81 39.091 38.306 0.785 1
1 800 . 14 1 1 A 72 72 ASN N N 81 116.435 122.010 -5.575 1
1 802 . 14 1 1 A 73 73 HIS H H 82 9.967 9.304 0.663 1
1 803 . 14 1 1 A 73 73 HIS HA H 82 4.499 4.456 0.043 1
1 806 . 14 1 1 A 73 73 HIS CA C 82 60.788 60.723 0.065 1
1 807 . 14 1 1 A 73 73 HIS CB C 82 32.327 30.839 1.488 1
1 808 . 14 1 1 A 73 73 HIS N N 82 127.963 126.231 1.732 1
1 809 . 14 1 1 A 74 74 LYS H H 83 7.764 8.394 -0.630 1
1 810 . 14 1 1 A 74 74 LYS HA H 83 4.297 4.002 0.295 1
1 817 . 14 1 1 A 74 74 LYS CA C 83 59.232 60.059 -0.827 1
1 818 . 14 1 1 A 74 74 LYS CB C 83 33.640 32.352 1.288 1
1 822 . 14 1 1 A 74 74 LYS N N 83 112.592 118.040 -5.448 1
1 823 . 14 1 1 A 75 75 LYS H H 84 7.626 7.725 -0.099 1
1 824 . 14 1 1 A 75 75 LYS HA H 84 4.607 4.220 0.387 1
1 832 . 14 1 1 A 75 75 LYS CA C 84 55.828 58.493 -2.665 1
1 833 . 14 1 1 A 75 75 LYS CB C 84 36.064 32.368 3.696 1
1 837 . 14 1 1 A 75 75 LYS N N 84 114.560 117.795 -3.235 1
1 838 . 14 1 1 A 76 76 ILE H H 85 7.021 8.063 -1.042 1
1 839 . 14 1 1 A 76 76 ILE HA H 85 4.132 4.463 -0.331 1
1 849 . 14 1 1 A 76 76 ILE CA C 85 64.013 64.033 -0.020 1
1 850 . 14 1 1 A 76 76 ILE CB C 85 39.146 37.490 1.656 1
1 854 . 14 1 1 A 76 76 ILE N N 85 113.811 116.607 -2.796 1
1 855 . 14 1 1 A 77 77 HIS H H 86 8.335 7.269 1.066 1
1 856 . 14 1 1 A 77 77 HIS HA H 86 4.612 4.387 0.225 1
1 859 . 14 1 1 A 77 77 HIS CA C 86 56.815 59.350 -2.535 1
1 860 . 14 1 1 A 77 77 HIS CB C 86 30.461 30.386 0.075 1
1 862 . 14 1 1 A 77 77 HIS N N 86 117.841 120.045 -2.204 1
1 863 . 14 1 1 A 78 78 LYS H H 87 7.587 7.591 -0.004 1
1 864 . 14 1 1 A 78 78 LYS HA H 87 4.094 3.948 0.146 1
1 870 . 14 1 1 A 78 78 LYS CA C 87 57.628 59.636 -2.008 1
1 871 . 14 1 1 A 78 78 LYS CB C 87 32.893 32.499 0.394 1
1 875 . 14 1 1 A 78 78 LYS N N 87 120.652 120.419 0.233 1
1 876 . 14 1 1 A 79 79 LYS H H 88 7.585 7.406 0.179 1
1 877 . 14 1 1 A 79 79 LYS HA H 88 4.304 4.592 -0.288 1
1 883 . 14 1 1 A 79 79 LYS CA C 88 56.467 55.285 1.182 1
1 884 . 14 1 1 A 79 79 LYS CB C 88 34.013 32.927 1.086 1
1 888 . 14 1 1 A 79 79 LYS N N 88 115.872 118.506 -2.634 1
1 889 . 14 1 1 A 80 80 GLN H H 89 8.625 8.920 -0.295 1
1 890 . 14 1 1 A 80 80 GLN HA H 89 4.192 4.168 0.024 1
1 893 . 14 1 1 A 80 80 GLN CA C 89 57.590 58.109 -0.519 1
1 894 . 14 1 1 A 80 80 GLN CB C 89 28.331 28.247 0.084 1
1 896 . 14 1 1 A 80 80 GLN N N 89 121.308 124.958 -3.650 1
1 897 . 14 1 1 A 81 81 GLY H H 90 8.791 8.542 0.249 1
1 898 . 14 1 1 A 81 81 GLY HA2 H 90 4.332 3.847 0.485 1
1 899 . 14 1 1 A 81 81 GLY HA3 H 90 3.850 3.878 -0.028 1
1 900 . 14 1 1 A 81 81 GLY CA C 90 45.950 47.528 -1.578 1
1 901 . 14 1 1 A 81 81 GLY N N 90 112.984 108.086 4.898 1
1 902 . 14 1 1 A 82 82 ALA H H 91 7.951 7.421 0.530 1
1 903 . 14 1 1 A 82 82 ALA HA H 91 4.485 4.122 0.363 1
1 907 . 14 1 1 A 82 82 ALA CA C 91 53.404 53.783 -0.379 1
1 908 . 14 1 1 A 82 82 ALA CB C 91 20.762 19.141 1.621 1
1 909 . 14 1 1 A 82 82 ALA N N 91 123.745 122.252 1.493 1
1 910 . 14 1 1 A 83 83 GLY H H 92 8.860 8.940 -0.080 1
1 911 . 14 1 1 A 83 83 GLY HA2 H 92 4.270 4.203 0.067 1
1 912 . 14 1 1 A 83 83 GLY HA3 H 92 4.262 4.267 -0.005 1
1 913 . 14 1 1 A 83 83 GLY CA C 92 46.689 45.372 1.317 1
1 914 . 14 1 1 A 83 83 GLY N N 92 105.564 110.824 -5.260 1
1 915 . 14 1 1 A 84 84 PHE H H 93 8.113 7.933 0.180 1
1 916 . 14 1 1 A 84 84 PHE HA H 93 3.440 4.507 -1.067 1
1 924 . 14 1 1 A 84 84 PHE CA C 93 59.932 56.487 3.445 1
1 925 . 14 1 1 A 84 84 PHE CB C 93 39.141 42.239 -3.098 1
1 929 . 14 1 1 A 84 84 PHE N N 93 121.215 120.072 1.143 1
1 930 . 14 1 1 A 85 85 LEU H H 94 8.204 7.307 0.897 1
1 931 . 14 1 1 A 85 85 LEU HA H 94 4.334 4.222 0.112 1
1 938 . 14 1 1 A 85 85 LEU CA C 94 53.569 55.419 -1.850 1
1 939 . 14 1 1 A 85 85 LEU CB C 94 43.255 43.111 0.144 1
1 942 . 14 1 1 A 85 85 LEU N N 94 125.432 125.162 0.270 1
1 943 . 14 1 1 A 86 86 GLY HA2 H 95 4.222 3.960 0.262 1
1 944 . 14 1 1 A 86 86 GLY HA3 H 95 3.147 4.029 -0.882 1
1 945 . 14 1 1 A 86 86 GLY CA C 95 45.570 44.426 1.144 1
1 946 . 14 1 1 A 87 87 CYS H H 96 9.230 9.080 0.150 1
1 947 . 14 1 1 A 87 87 CYS HA H 96 5.838 5.364 0.474 1
1 949 . 14 1 1 A 87 87 CYS CA C 96 55.882 57.597 -1.715 1
1 950 . 14 1 1 A 87 87 CYS CB C 96 33.259 29.363 3.896 1
1 951 . 14 1 1 A 87 87 CYS N N 96 114.935 121.480 -6.545 1
1 952 . 14 1 1 A 88 88 VAL H H 97 9.242 9.037 0.205 1
1 953 . 14 1 1 A 88 88 VAL HA H 97 4.575 4.827 -0.252 1
1 961 . 14 1 1 A 88 88 VAL CA C 97 61.769 60.131 1.638 1
1 962 . 14 1 1 A 88 88 VAL CB C 97 35.684 33.882 1.802 1
1 965 . 14 1 1 A 88 88 VAL N N 97 115.966 125.758 -9.792 1
1 966 . 14 1 1 A 89 89 ARG H H 98 8.665 9.115 -0.450 1
1 967 . 14 1 1 A 89 89 ARG HA H 98 5.166 5.238 -0.072 1
1 973 . 14 1 1 A 89 89 ARG CA C 98 54.929 54.392 0.537 1
1 974 . 14 1 1 A 89 89 ARG CB C 98 31.961 33.865 -1.904 1
1 977 . 14 1 1 A 89 89 ARG N N 98 125.526 129.742 -4.216 1
1 978 . 14 1 1 A 90 90 LEU H H 99 9.611 8.646 0.965 1
1 979 . 14 1 1 A 90 90 LEU HA H 99 4.644 5.231 -0.587 1
1 989 . 14 1 1 A 90 90 LEU CA C 99 53.217 52.896 0.321 1
1 990 . 14 1 1 A 90 90 LEU CB C 99 43.339 45.037 -1.698 1
1 994 . 14 1 1 A 90 90 LEU N N 99 127.119 126.971 0.148 1
1 995 . 14 1 1 A 91 91 LEU H H 100 7.953 8.588 -0.635 1
1 996 . 14 1 1 A 91 91 LEU HA H 100 4.540 4.700 -0.160 1
1 1005 . 14 1 1 A 91 91 LEU CA C 100 54.523 53.872 0.651 1
1 1006 . 14 1 1 A 91 91 LEU CB C 100 42.593 42.370 0.223 1
1 1010 . 14 1 1 A 91 91 LEU N N 100 122.527 124.788 -2.261 1
1 1011 . 14 1 1 A 92 92 SER H H 101 8.754 8.878 -0.124 1
1 1012 . 14 1 1 A 92 92 SER HA H 101 3.950 4.138 -0.188 1
1 1013 . 14 1 1 A 92 92 SER CA C 101 63.171 61.562 1.609 1
1 1014 . 14 1 1 A 92 92 SER N N 101 115.966 117.457 -1.491 1
1 1015 . 14 1 1 A 93 93 ASN H H 102 7.765 8.645 -0.880 1
1 1016 . 14 1 1 A 93 93 ASN HA H 102 4.500 4.409 0.091 1
1 1020 . 14 1 1 A 93 93 ASN CA C 102 56.487 56.109 0.378 1
1 1021 . 14 1 1 A 93 93 ASN CB C 102 37.514 37.485 0.029 1
1 1022 . 14 1 1 A 93 93 ASN N N 102 116.950 117.824 -0.874 1
1 1024 . 14 1 1 A 94 94 ALA H H 103 7.345 7.547 -0.202 1
1 1025 . 14 1 1 A 94 94 ALA HA H 103 4.230 4.186 0.044 1
1 1029 . 14 1 1 A 94 94 ALA CA C 103 54.843 55.004 -0.161 1
1 1030 . 14 1 1 A 94 94 ALA CB C 103 19.643 18.445 1.198 1
1 1031 . 14 1 1 A 94 94 ALA N N 103 124.495 121.762 2.733 1
1 1032 . 14 1 1 A 95 95 ILE H H 104 8.322 8.234 0.088 1
1 1033 . 14 1 1 A 95 95 ILE HA H 104 3.280 3.614 -0.334 1
1 1043 . 14 1 1 A 95 95 ILE CA C 104 66.184 64.605 1.579 1
1 1044 . 14 1 1 A 95 95 ILE CB C 104 37.922 37.368 0.554 1
1 1048 . 14 1 1 A 95 95 ILE N N 104 119.310 119.551 -0.241 1
1 1049 . 14 1 1 A 96 96 ASN H H 105 7.815 7.749 0.066 1
1 1050 . 14 1 1 A 96 96 ASN HA H 105 4.332 4.472 -0.140 1
1 1052 . 14 1 1 A 96 96 ASN CA C 105 56.487 56.114 0.373 1
1 1053 . 14 1 1 A 96 96 ASN CB C 105 38.855 38.161 0.694 1
1 1054 . 14 1 1 A 96 96 ASN N N 105 114.748 118.918 -4.170 1
1 1055 . 14 1 1 A 97 97 ARG H H 106 7.595 7.744 -0.149 1
1 1056 . 14 1 1 A 97 97 ARG HA H 106 4.257 4.184 0.073 1
1 1061 . 14 1 1 A 97 97 ARG CA C 106 58.294 58.911 -0.617 1
1 1062 . 14 1 1 A 97 97 ARG CB C 106 31.401 29.625 1.776 1
1 1065 . 14 1 1 A 97 97 ARG N N 106 117.934 119.288 -1.354 1
1 1066 . 14 1 1 A 98 98 LEU H H 107 8.179 8.435 -0.256 1
1 1067 . 14 1 1 A 98 98 LEU HA H 107 4.288 4.336 -0.048 1
1 1077 . 14 1 1 A 98 98 LEU CA C 107 55.735 57.806 -2.071 1
1 1078 . 14 1 1 A 98 98 LEU CB C 107 44.264 41.191 3.073 1
1 1082 . 14 1 1 A 98 98 LEU N N 107 116.341 119.577 -3.236 1
1 1083 . 14 1 1 A 99 99 LYS H H 108 8.058 8.640 -0.582 1
1 1084 . 14 1 1 A 99 99 LYS HA H 108 4.078 4.064 0.014 1
1 1091 . 14 1 1 A 99 99 LYS CA C 108 58.256 58.850 -0.594 1
1 1092 . 14 1 1 A 99 99 LYS CB C 108 32.520 31.932 0.588 1
1 1096 . 14 1 1 A 99 99 LYS N N 108 123.558 117.887 5.671 1
1 1097 . 14 1 1 A 100 100 ASP H H 109 9.305 7.771 1.534 1
1 1098 . 14 1 1 A 100 100 ASP HA H 109 4.672 4.546 0.126 1
1 1101 . 14 1 1 A 100 100 ASP CA C 109 57.047 55.805 1.242 1
1 1102 . 14 1 1 A 100 100 ASP CB C 109 39.041 41.276 -2.235 1
1 1103 . 14 1 1 A 100 100 ASP N N 109 115.779 119.240 -3.461 1
1 1104 . 14 1 1 A 101 101 THR H H 110 7.546 7.733 -0.187 1
1 1105 . 14 1 1 A 101 101 THR HA H 110 4.675 4.160 0.515 1
1 1110 . 14 1 1 A 101 101 THR CA C 110 61.895 63.599 -1.704 1
1 1111 . 14 1 1 A 101 101 THR CB C 110 70.432 69.702 0.730 1
1 1113 . 14 1 1 A 101 101 THR N N 110 129.087 109.906 19.181 1
1 1114 . 14 1 1 A 102 102 GLY H H 111 8.921 8.218 0.703 1
1 1115 . 14 1 1 A 102 102 GLY HA2 H 111 4.337 3.731 0.606 1
1 1116 . 14 1 1 A 102 102 GLY HA3 H 111 3.563 3.736 -0.173 1
1 1117 . 14 1 1 A 102 102 GLY CA C 111 44.062 45.319 -1.257 1
1 1118 . 14 1 1 A 102 102 GLY N N 111 112.780 110.848 1.932 1
1 1119 . 14 1 1 A 103 103 TYR H H 112 8.255 7.997 0.258 1
1 1120 . 14 1 1 A 103 103 TYR HA H 112 4.574 5.424 -0.850 1
1 1127 . 14 1 1 A 103 103 TYR CA C 112 59.745 56.425 3.320 1
1 1128 . 14 1 1 A 103 103 TYR CB C 112 38.295 41.723 -3.428 1
1 1131 . 14 1 1 A 103 103 TYR N N 112 117.653 118.481 -0.828 1
1 1132 . 14 1 1 A 104 104 GLN H H 113 9.435 9.081 0.354 1
1 1133 . 14 1 1 A 104 104 GLN HA H 113 4.659 5.049 -0.390 1
1 1140 . 14 1 1 A 104 104 GLN CA C 113 53.852 54.486 -0.634 1
1 1141 . 14 1 1 A 104 104 GLN CB C 113 31.128 31.791 -0.663 1
1 1143 . 14 1 1 A 104 104 GLN N N 113 121.964 123.073 -1.109 1
1 1145 . 14 1 1 A 105 105 ARG H H 114 8.670 8.870 -0.200 1
1 1146 . 14 1 1 A 105 105 ARG HA H 114 4.838 4.977 -0.139 1
1 1151 . 14 1 1 A 105 105 ARG CA C 114 55.090 55.216 -0.126 1
1 1152 . 14 1 1 A 105 105 ARG CB C 114 31.401 30.853 0.548 1
1 1155 . 14 1 1 A 105 105 ARG N N 114 122.246 124.233 -1.987 1
1 1156 . 14 1 1 A 106 106 LEU H H 115 9.269 8.654 0.615 1
1 1157 . 14 1 1 A 106 106 LEU HA H 115 4.843 4.827 0.016 1
1 1163 . 14 1 1 A 106 106 LEU CA C 115 53.317 53.721 -0.404 1
1 1164 . 14 1 1 A 106 106 LEU CB C 115 44.570 42.657 1.913 1
1 1166 . 14 1 1 A 106 106 LEU N N 115 126.088 126.270 -0.182 1
1 1167 . 14 1 1 A 107 107 ASP H H 116 8.582 8.618 -0.036 1
1 1168 . 14 1 1 A 107 107 ASP HA H 116 4.748 4.581 0.167 1
1 1171 . 14 1 1 A 107 107 ASP CA C 116 55.402 54.451 0.951 1
1 1172 . 14 1 1 A 107 107 ASP CB C 116 41.280 41.335 -0.055 1
1 1173 . 14 1 1 A 107 107 ASP N N 116 122.714 125.792 -3.078 1
1 1174 . 14 1 1 A 108 108 LEU H H 117 8.067 8.704 -0.637 1
1 1175 . 14 1 1 A 108 108 LEU HA H 117 4.195 4.781 -0.586 1
1 1185 . 14 1 1 A 108 108 LEU CA C 117 55.308 54.097 1.211 1
1 1186 . 14 1 1 A 108 108 LEU CB C 117 42.871 41.460 1.411 1
1 1190 . 14 1 1 A 108 108 LEU N N 117 121.121 125.153 -4.032 1
1 1191 . 14 1 1 A 109 109 CYS H H 118 9.705 8.747 0.958 1
1 1192 . 14 1 1 A 109 109 CYS HA H 118 4.839 5.253 -0.414 1
1 1195 . 14 1 1 A 109 109 CYS CA C 118 57.979 56.429 1.550 1
1 1196 . 14 1 1 A 109 109 CYS CB C 118 31.953 31.433 0.520 1
1 1197 . 14 1 1 A 109 109 CYS N N 118 118.403 122.899 -4.496 1
1 1198 . 14 1 1 A 110 110 LYS H H 119 8.419 8.335 0.084 1
1 1199 . 14 1 1 A 110 110 LYS HA H 119 4.426 4.562 -0.136 1
1 1207 . 14 1 1 A 110 110 LYS CA C 119 56.957 56.560 0.397 1
1 1208 . 14 1 1 A 110 110 LYS CB C 119 34.386 32.996 1.390 1
1 1212 . 14 1 1 A 110 110 LYS N N 119 120.090 119.146 0.944 1
1 1213 . 14 1 1 A 111 111 LEU H H 120 9.016 8.346 0.670 1
1 1214 . 14 1 1 A 111 111 LEU HA H 120 4.054 3.889 0.165 1
1 1223 . 14 1 1 A 111 111 LEU CA C 120 57.694 56.885 0.809 1
1 1224 . 14 1 1 A 111 111 LEU CB C 120 43.062 42.089 0.973 1
1 1227 . 14 1 1 A 111 111 LEU N N 120 123.089 122.510 0.579 1
1 1228 . 14 1 1 A 112 112 GLY H H 121 7.578 7.159 0.419 1
1 1229 . 14 1 1 A 112 112 GLY HA2 H 121 4.320 4.010 0.310 1
1 1230 . 14 1 1 A 112 112 GLY HA3 H 121 3.863 4.022 -0.159 1
1 1231 . 14 1 1 A 112 112 GLY CA C 121 44.644 44.968 -0.324 1
1 1232 . 14 1 1 A 112 112 GLY N N 121 105.939 104.447 1.492 1
1 1233 . 14 1 1 A 113 113 PRO HA H 122 4.365 4.329 0.036 1
1 1240 . 14 1 1 A 113 113 PRO CA C 122 64.692 64.891 -0.199 1
1 1241 . 14 1 1 A 113 113 PRO CB C 122 32.663 31.884 0.779 1
1 1244 . 14 1 1 A 114 114 ASN H H 123 8.603 8.756 -0.153 1
1 1245 . 14 1 1 A 114 114 ASN HA H 123 4.899 4.462 0.437 1
1 1250 . 14 1 1 A 114 114 ASN CA C 123 52.944 54.696 -1.752 1
1 1251 . 14 1 1 A 114 114 ASN CB C 123 39.041 38.260 0.781 1
1 1252 . 14 1 1 A 114 114 ASN N N 123 115.591 115.899 -0.308 1
1 1254 . 14 1 1 A 115 115 ASP H H 124 7.507 7.763 -0.256 1
1 1255 . 14 1 1 A 115 115 ASP HA H 124 4.507 4.938 -0.431 1
1 1258 . 14 1 1 A 115 115 ASP CA C 124 54.843 52.918 1.925 1
1 1259 . 14 1 1 A 115 115 ASP CB C 124 41.620 42.874 -1.254 1
1 1260 . 14 1 1 A 115 115 ASP N N 124 121.215 117.411 3.804 1
1 1261 . 14 1 1 A 116 116 ASN H H 125 8.741 8.458 0.283 1
1 1262 . 14 1 1 A 116 116 ASN HA H 125 4.823 4.564 0.259 1
1 1267 . 14 1 1 A 116 116 ASN CA C 125 53.447 53.833 -0.386 1
1 1268 . 14 1 1 A 116 116 ASN CB C 125 43.830 38.114 5.716 1
1 1269 . 14 1 1 A 116 116 ASN N N 125 120.137 118.373 1.764 1
1 1271 . 14 1 1 A 117 117 ASP H H 126 8.039 8.658 -0.619 1
1 1272 . 14 1 1 A 117 117 ASP HA H 126 4.745 5.009 -0.264 1
1 1274 . 14 1 1 A 117 117 ASP CA C 126 54.436 53.573 0.863 1
1 1275 . 14 1 1 A 117 117 ASP CB C 126 42.046 40.212 1.834 1
1 1276 . 14 1 1 A 117 117 ASP N N 126 120.746 123.077 -2.331 1
1 1277 . 14 1 1 A 118 118 THR H H 127 8.361 8.325 0.036 1
1 1278 . 14 1 1 A 118 118 THR HA H 127 4.331 4.904 -0.573 1
1 1283 . 14 1 1 A 118 118 THR CA C 127 62.454 60.009 2.445 1
1 1284 . 14 1 1 A 118 118 THR CB C 127 70.191 69.069 1.122 1
1 1286 . 14 1 1 A 118 118 THR N N 127 116.903 113.864 3.039 1
1 1287 . 14 1 1 A 119 119 VAL H H 128 8.152 8.807 -0.655 1
1 1288 . 14 1 1 A 119 119 VAL HA H 128 4.172 4.787 -0.615 1
1 1296 . 14 1 1 A 119 119 VAL CA C 128 61.051 59.689 1.362 1
1 1297 . 14 1 1 A 119 119 VAL CB C 128 35.124 35.883 -0.759 1
1 1300 . 14 1 1 A 119 119 VAL N N 128 119.903 125.431 -5.528 1
1 1301 . 14 1 1 A 120 120 ARG H H 129 7.884 8.707 -0.823 1
1 1302 . 14 1 1 A 120 120 ARG HA H 129 4.719 4.679 0.040 1
1 1307 . 14 1 1 A 120 120 ARG CA C 129 55.555 55.655 -0.100 1
1 1308 . 14 1 1 A 120 120 ARG CB C 129 34.945 31.601 3.344 1
1 1311 . 14 1 1 A 120 120 ARG N N 129 122.621 121.832 0.789 1
1 1312 . 14 1 1 A 121 121 GLY H H 130 8.289 7.687 0.602 1
1 1313 . 14 1 1 A 121 121 GLY HA2 H 130 4.605 4.028 0.577 1
1 1314 . 14 1 1 A 121 121 GLY HA3 H 130 3.803 4.036 -0.233 1
1 1315 . 14 1 1 A 121 121 GLY CA C 130 45.756 44.633 1.123 1
1 1316 . 14 1 1 A 121 121 GLY N N 130 107.626 109.587 -1.961 1
1 1317 . 14 1 1 A 122 122 GLN H H 131 8.408 8.903 -0.495 1
1 1318 . 14 1 1 A 122 122 GLN HA H 131 5.434 5.253 0.181 1
1 1323 . 14 1 1 A 122 122 GLN CA C 131 54.809 54.316 0.493 1
1 1324 . 14 1 1 A 122 122 GLN CB C 131 34.756 33.357 1.399 1
1 1326 . 14 1 1 A 122 122 GLN N N 131 114.654 118.642 -3.988 1
1 1328 . 14 1 1 A 123 123 ILE H H 132 9.273 8.444 0.829 1
1 1329 . 14 1 1 A 123 123 ILE HA H 132 5.207 4.714 0.493 1
1 1339 . 14 1 1 A 123 123 ILE CA C 132 59.284 59.868 -0.584 1
1 1340 . 14 1 1 A 123 123 ILE CB C 132 44.085 41.685 2.400 1
1 1344 . 14 1 1 A 123 123 ILE N N 132 118.216 121.440 -3.224 1
1 1345 . 14 1 1 A 124 124 VAL H H 133 8.750 9.095 -0.345 1
1 1346 . 14 1 1 A 124 124 VAL HA H 133 5.338 4.802 0.536 1
1 1354 . 14 1 1 A 124 124 VAL CA C 133 61.611 61.356 0.255 1
1 1355 . 14 1 1 A 124 124 VAL CB C 133 32.620 33.008 -0.388 1
1 1358 . 14 1 1 A 124 124 VAL N N 133 126.088 128.655 -2.567 1
1 1359 . 14 1 1 A 125 125 VAL H H 134 8.698 9.241 -0.543 1
1 1360 . 14 1 1 A 125 125 VAL HA H 134 5.859 5.533 0.326 1
1 1368 . 14 1 1 A 125 125 VAL CA C 134 57.880 59.269 -1.389 1
1 1369 . 14 1 1 A 125 125 VAL CB C 134 36.990 36.473 0.517 1
1 1372 . 14 1 1 A 125 125 VAL N N 134 117.895 121.764 -3.869 1
1 1373 . 14 1 1 A 126 126 SER H H 135 8.746 8.789 -0.043 1
1 1374 . 14 1 1 A 126 126 SER HA H 135 4.881 5.326 -0.445 1
1 1377 . 14 1 1 A 126 126 SER CA C 135 56.860 56.825 0.035 1
1 1378 . 14 1 1 A 126 126 SER CB C 135 66.695 65.794 0.901 1
1 1379 . 14 1 1 A 126 126 SER N N 135 112.967 115.341 -2.374 1
1 1380 . 14 1 1 A 127 127 LEU H H 136 9.710 9.013 0.697 1
1 1381 . 14 1 1 A 127 127 LEU HA H 136 5.244 4.998 0.246 1
1 1390 . 14 1 1 A 127 127 LEU CA C 136 54.436 53.542 0.894 1
1 1391 . 14 1 1 A 127 127 LEU CB C 136 46.137 42.353 3.784 1
1 1395 . 14 1 1 A 127 127 LEU N N 136 125.760 126.600 -0.840 1
1 1396 . 14 1 1 A 128 128 GLN H H 137 9.256 8.444 0.812 1
1 1397 . 14 1 1 A 128 128 GLN HA H 137 5.128 5.803 -0.675 1
1 1404 . 14 1 1 A 128 128 GLN CA C 137 54.063 54.629 -0.566 1
1 1405 . 14 1 1 A 128 128 GLN CB C 137 34.063 32.395 1.668 1
1 1407 . 14 1 1 A 128 128 GLN N N 137 125.526 125.899 -0.373 1
1 1409 . 14 1 1 A 129 129 SER H H 138 8.222 8.636 -0.414 1
1 1410 . 14 1 1 A 129 129 SER HA H 138 4.476 4.537 -0.061 1
1 1413 . 14 1 1 A 129 129 SER CA C 138 60.814 57.934 2.880 1
1 1414 . 14 1 1 A 129 129 SER CB C 138 63.116 63.857 -0.741 1
1 1415 . 14 1 1 A 129 129 SER N N 138 125.620 119.570 6.050 1
1 1416 . 14 1 1 A 130 130 ARG H H 139 8.032 8.769 -0.737 1
1 1417 . 14 1 1 A 130 130 ARG HA H 139 4.601 4.486 0.115 1
1 1424 . 14 1 1 A 130 130 ARG CA C 139 53.934 55.627 -1.693 1
1 1425 . 14 1 1 A 130 130 ARG CB C 139 32.334 31.821 0.513 1
1 1428 . 14 1 1 A 130 130 ARG N N 139 123.136 124.430 -1.294 1
1 6 . 15 1 1 A 2 2 PRO HA H 11 4.498 4.750 -0.252 1
1 11 . 15 1 1 A 2 2 PRO CA C 11 63.103 63.074 0.029 1
1 12 . 15 1 1 A 2 2 PRO CB C 11 32.993 32.740 0.253 1
1 15 . 15 1 1 A 3 3 VAL H H 12 8.356 8.072 0.284 1
1 16 . 15 1 1 A 3 3 VAL HA H 12 4.370 5.097 -0.727 1
1 24 . 15 1 1 A 3 3 VAL CA C 12 60.982 59.006 1.976 1
1 25 . 15 1 1 A 3 3 VAL CB C 12 34.005 34.645 -0.640 1
1 28 . 15 1 1 A 3 3 VAL N N 12 119.528 115.521 4.007 1
1 29 . 15 1 1 A 4 4 LYS H H 13 8.542 8.954 -0.412 1
1 30 . 15 1 1 A 4 4 LYS HA H 13 4.752 4.638 0.114 1
1 38 . 15 1 1 A 4 4 LYS CA C 13 55.339 56.077 -0.738 1
1 39 . 15 1 1 A 4 4 LYS CB C 13 33.640 33.060 0.580 1
1 43 . 15 1 1 A 4 4 LYS N N 13 125.901 124.988 0.913 1
1 44 . 15 1 1 A 5 5 LEU H H 14 8.887 9.104 -0.217 1
1 45 . 15 1 1 A 5 5 LEU HA H 14 4.927 5.259 -0.332 1
1 51 . 15 1 1 A 5 5 LEU CA C 14 52.944 53.435 -0.491 1
1 52 . 15 1 1 A 5 5 LEU CB C 14 47.069 45.516 1.553 1
1 54 . 15 1 1 A 5 5 LEU N N 14 126.276 129.036 -2.760 1
1 55 . 15 1 1 A 6 6 ARG H H 15 9.361 8.660 0.701 1
1 56 . 15 1 1 A 6 6 ARG HA H 15 5.205 5.064 0.141 1
1 61 . 15 1 1 A 6 6 ARG CA C 15 55.064 54.859 0.205 1
1 62 . 15 1 1 A 6 6 ARG CB C 15 31.979 32.035 -0.056 1
1 64 . 15 1 1 A 6 6 ARG N N 15 123.745 128.309 -4.564 1
1 65 . 15 1 1 A 7 7 LEU H H 16 9.694 8.671 1.023 1
1 66 . 15 1 1 A 7 7 LEU HA H 16 5.437 4.900 0.537 1
1 73 . 15 1 1 A 7 7 LEU CA C 16 53.777 53.810 -0.033 1
1 74 . 15 1 1 A 7 7 LEU CB C 16 45.577 43.292 2.285 1
1 77 . 15 1 1 A 7 7 LEU N N 16 111.467 128.892 -17.425 1
1 78 . 15 1 1 A 8 8 THR H H 17 9.470 9.159 0.311 1
1 79 . 15 1 1 A 8 8 THR HA H 17 4.904 4.965 -0.061 1
1 84 . 15 1 1 A 8 8 THR CA C 17 62.827 62.281 0.546 1
1 85 . 15 1 1 A 8 8 THR CB C 17 69.540 69.201 0.339 1
1 87 . 15 1 1 A 8 8 THR N N 17 124.589 124.423 0.166 1
1 88 . 15 1 1 A 9 9 VAL H H 18 9.339 9.283 0.056 1
1 89 . 15 1 1 A 9 9 VAL HA H 18 4.374 4.208 0.166 1
1 97 . 15 1 1 A 9 9 VAL CA C 18 61.708 62.993 -1.285 1
1 98 . 15 1 1 A 9 9 VAL CB C 18 31.021 30.692 0.329 1
1 101 . 15 1 1 A 9 9 VAL N N 18 127.963 127.983 -0.020 1
1 102 . 15 1 1 A 10 10 LEU H H 19 8.957 8.384 0.573 1
1 103 . 15 1 1 A 10 10 LEU HA H 19 4.334 4.273 0.061 1
1 113 . 15 1 1 A 10 10 LEU CA C 19 59.232 57.697 1.535 1
1 114 . 15 1 1 A 10 10 LEU CB C 19 43.525 42.812 0.713 1
1 118 . 15 1 1 A 10 10 LEU N N 19 127.775 129.509 -1.734 1
1 119 . 15 1 1 A 11 11 CYS H H 20 8.038 7.544 0.494 1
1 120 . 15 1 1 A 11 11 CYS HA H 20 5.152 4.590 0.562 1
1 123 . 15 1 1 A 11 11 CYS CA C 20 55.928 57.136 -1.208 1
1 124 . 15 1 1 A 11 11 CYS CB C 20 30.655 30.128 0.527 1
1 125 . 15 1 1 A 11 11 CYS N N 20 109.968 112.765 -2.797 1
1 126 . 15 1 1 A 12 12 ALA H H 21 8.485 8.220 0.265 1
1 127 . 15 1 1 A 12 12 ALA HA H 21 5.397 5.412 -0.015 1
1 131 . 15 1 1 A 12 12 ALA CA C 21 50.707 50.578 0.129 1
1 132 . 15 1 1 A 12 12 ALA CB C 21 22.550 23.379 -0.829 1
1 133 . 15 1 1 A 12 12 ALA N N 21 119.247 123.705 -4.458 1
1 134 . 15 1 1 A 13 13 LYS H H 22 8.905 8.809 0.096 1
1 135 . 15 1 1 A 13 13 LYS HA H 22 5.144 4.744 0.400 1
1 141 . 15 1 1 A 13 13 LYS CA C 22 54.063 54.710 -0.647 1
1 142 . 15 1 1 A 13 13 LYS CB C 22 37.217 35.931 1.286 1
1 146 . 15 1 1 A 13 13 LYS N N 22 117.934 119.379 -1.445 1
1 147 . 15 1 1 A 14 14 ASN H H 23 9.099 9.044 0.055 1
1 148 . 15 1 1 A 14 14 ASN HA H 23 4.187 4.301 -0.114 1
1 153 . 15 1 1 A 14 14 ASN CA C 23 53.735 53.827 -0.092 1
1 154 . 15 1 1 A 14 14 ASN CB C 23 37.736 36.901 0.835 1
1 155 . 15 1 1 A 14 14 ASN N N 23 118.684 120.340 -1.656 1
1 157 . 15 1 1 A 15 15 LEU H H 24 8.294 7.718 0.576 1
1 158 . 15 1 1 A 15 15 LEU HA H 24 5.161 4.198 0.963 1
1 165 . 15 1 1 A 15 15 LEU CA C 24 55.261 54.899 0.362 1
1 166 . 15 1 1 A 15 15 LEU CB C 24 42.966 41.597 1.369 1
1 169 . 15 1 1 A 15 15 LEU N N 24 114.373 119.956 -5.583 1
1 170 . 15 1 1 A 16 16 VAL H H 25 8.533 8.470 0.063 1
1 171 . 15 1 1 A 16 16 VAL HA H 25 3.635 3.935 -0.300 1
1 179 . 15 1 1 A 16 16 VAL CA C 25 62.318 63.181 -0.863 1
1 180 . 15 1 1 A 16 16 VAL CB C 25 33.064 32.094 0.970 1
1 183 . 15 1 1 A 16 16 VAL N N 25 119.200 125.351 -6.151 1
1 184 . 15 1 1 A 17 17 LYS H H 26 7.950 8.339 -0.389 1
1 185 . 15 1 1 A 17 17 LYS HA H 26 4.302 4.020 0.282 1
1 192 . 15 1 1 A 17 17 LYS CA C 26 54.150 58.228 -4.078 1
1 193 . 15 1 1 A 17 17 LYS CB C 26 33.826 32.022 1.804 1
1 197 . 15 1 1 A 17 17 LYS N N 26 128.056 126.244 1.812 1
1 198 . 15 1 1 A 18 18 LYS H H 27 8.549 7.758 0.791 1
1 199 . 15 1 1 A 18 18 LYS HA H 27 4.078 3.767 0.311 1
1 207 . 15 1 1 A 18 18 LYS CA C 27 58.626 58.699 -0.073 1
1 208 . 15 1 1 A 18 18 LYS CB C 27 33.826 30.917 2.909 1
1 211 . 15 1 1 A 18 18 LYS N N 27 125.760 113.858 11.902 1
1 212 . 15 1 1 A 19 19 ASP H H 28 8.438 8.448 -0.010 1
1 213 . 15 1 1 A 19 19 ASP HA H 28 4.801 4.733 0.068 1
1 216 . 15 1 1 A 19 19 ASP CA C 28 52.964 53.291 -0.327 1
1 217 . 15 1 1 A 19 19 ASP CB C 28 43.518 42.098 1.420 1
1 218 . 15 1 1 A 19 19 ASP N N 28 119.247 118.928 0.319 1
1 219 . 15 1 1 A 20 20 PHE H H 29 8.506 8.236 0.270 1
1 220 . 15 1 1 A 20 20 PHE HA H 29 4.049 4.091 -0.042 1
1 227 . 15 1 1 A 20 20 PHE CA C 29 60.767 58.981 1.786 1
1 228 . 15 1 1 A 20 20 PHE CB C 29 39.305 38.873 0.432 1
1 231 . 15 1 1 A 20 20 PHE N N 29 122.011 123.210 -1.199 1
1 232 . 15 1 1 A 21 21 PHE H H 30 8.350 9.127 -0.777 1
1 233 . 15 1 1 A 21 21 PHE HA H 30 4.677 4.535 0.142 1
1 240 . 15 1 1 A 21 21 PHE CA C 30 57.789 59.575 -1.786 1
1 241 . 15 1 1 A 21 21 PHE CB C 30 40.824 38.757 2.067 1
1 244 . 15 1 1 A 21 21 PHE N N 30 113.764 121.984 -8.220 1
1 245 . 15 1 1 A 22 22 ARG H H 31 7.631 7.967 -0.336 1
1 246 . 15 1 1 A 22 22 ARG HA H 31 4.614 4.615 -0.001 1
1 252 . 15 1 1 A 22 22 ARG CA C 31 55.325 54.816 0.509 1
1 253 . 15 1 1 A 22 22 ARG CB C 31 33.640 32.058 1.582 1
1 256 . 15 1 1 A 22 22 ARG N N 31 118.778 120.848 -2.070 1
1 257 . 15 1 1 A 23 23 LEU H H 32 8.699 8.525 0.174 1
1 258 . 15 1 1 A 23 23 LEU HA H 32 4.509 4.852 -0.343 1
1 268 . 15 1 1 A 23 23 LEU CA C 32 52.758 51.081 1.677 1
1 269 . 15 1 1 A 23 23 LEU CB C 32 42.593 45.532 -2.939 1
1 273 . 15 1 1 A 23 23 LEU N N 32 123.464 121.363 2.101 1
1 274 . 15 1 1 A 24 24 PRO HA H 33 4.648 4.997 -0.349 1
1 281 . 15 1 1 A 24 24 PRO CA C 33 62.753 62.036 0.717 1
1 282 . 15 1 1 A 24 24 PRO CB C 33 33.965 32.612 1.353 1
1 285 . 15 1 1 A 25 25 ASP H H 34 7.463 8.618 -1.155 1
1 286 . 15 1 1 A 25 25 ASP HA H 34 6.052 5.968 0.084 1
1 289 . 15 1 1 A 25 25 ASP CA C 34 51.080 51.818 -0.738 1
1 290 . 15 1 1 A 25 25 ASP CB C 34 42.779 41.698 1.081 1
1 291 . 15 1 1 A 25 25 ASP N N 34 117.091 121.757 -4.666 1
1 292 . 15 1 1 A 26 26 PRO HA H 35 5.968 5.078 0.890 1
1 299 . 15 1 1 A 26 26 PRO CA C 35 62.827 62.903 -0.076 1
1 300 . 15 1 1 A 26 26 PRO CB C 35 35.132 32.820 2.312 1
1 303 . 15 1 1 A 27 27 PHE H H 36 9.284 8.885 0.399 1
1 304 . 15 1 1 A 27 27 PHE HA H 36 5.009 5.405 -0.396 1
1 312 . 15 1 1 A 27 27 PHE CA C 36 56.301 56.109 0.192 1
1 313 . 15 1 1 A 27 27 PHE CB C 36 42.689 41.301 1.388 1
1 317 . 15 1 1 A 27 27 PHE N N 36 120.090 118.785 1.305 1
1 318 . 15 1 1 A 28 28 ALA H H 37 8.408 8.698 -0.290 1
1 319 . 15 1 1 A 28 28 ALA HA H 37 5.481 5.235 0.246 1
1 323 . 15 1 1 A 28 28 ALA CA C 37 49.186 49.824 -0.638 1
1 324 . 15 1 1 A 28 28 ALA CB C 37 20.389 22.616 -2.227 1
1 325 . 15 1 1 A 28 28 ALA N N 37 122.433 121.319 1.114 1
1 326 . 15 1 1 A 29 29 LYS H H 38 9.617 9.056 0.561 1
1 327 . 15 1 1 A 29 29 LYS HA H 38 5.267 5.178 0.089 1
1 335 . 15 1 1 A 29 29 LYS CA C 38 54.901 54.919 -0.018 1
1 336 . 15 1 1 A 29 29 LYS CB C 38 36.624 34.749 1.875 1
1 340 . 15 1 1 A 29 29 LYS N N 38 121.964 119.555 2.409 1
1 341 . 15 1 1 A 30 30 VAL H H 39 9.159 9.027 0.132 1
1 342 . 15 1 1 A 30 30 VAL HA H 39 4.494 4.654 -0.160 1
1 350 . 15 1 1 A 30 30 VAL CA C 39 61.335 62.120 -0.785 1
1 351 . 15 1 1 A 30 30 VAL CB C 39 34.954 32.275 2.679 1
1 354 . 15 1 1 A 30 30 VAL N N 39 124.497 126.077 -1.580 1
1 355 . 15 1 1 A 31 31 VAL H H 40 8.659 8.674 -0.015 1
1 356 . 15 1 1 A 31 31 VAL HA H 40 5.091 4.827 0.264 1
1 364 . 15 1 1 A 31 31 VAL CA C 40 59.898 60.668 -0.770 1
1 365 . 15 1 1 A 31 31 VAL CB C 40 36.959 35.298 1.661 1
1 368 . 15 1 1 A 31 31 VAL N N 40 124.589 127.691 -3.102 1
1 369 . 15 1 1 A 32 32 VAL H H 41 7.786 8.322 -0.536 1
1 370 . 15 1 1 A 32 32 VAL HA H 41 4.660 4.475 0.185 1
1 378 . 15 1 1 A 32 32 VAL CA C 41 62.268 61.203 1.065 1
1 379 . 15 1 1 A 32 32 VAL CB C 41 30.995 31.287 -0.292 1
1 382 . 15 1 1 A 32 32 VAL N N 41 125.385 127.472 -2.087 1
1 383 . 15 1 1 A 33 33 ASP H H 42 8.568 8.764 -0.196 1
1 384 . 15 1 1 A 33 33 ASP HA H 42 4.310 4.379 -0.069 1
1 386 . 15 1 1 A 33 33 ASP CA C 42 57.321 55.733 1.588 1
1 387 . 15 1 1 A 33 33 ASP CB C 42 40.727 40.168 0.559 1
1 388 . 15 1 1 A 33 33 ASP N N 42 130.868 128.612 2.256 1
1 389 . 15 1 1 A 34 34 GLY HA2 H 43 4.230 4.177 0.053 1
1 390 . 15 1 1 A 34 34 GLY HA3 H 43 3.818 4.181 -0.363 1
1 391 . 15 1 1 A 34 34 GLY CA C 43 46.510 45.608 0.902 1
1 392 . 15 1 1 A 35 35 SER H H 44 8.049 8.142 -0.093 1
1 393 . 15 1 1 A 35 35 SER HA H 44 4.928 4.640 0.288 1
1 396 . 15 1 1 A 35 35 SER CA C 44 58.067 57.674 0.393 1
1 397 . 15 1 1 A 35 35 SER CB C 44 67.393 67.043 0.350 1
1 398 . 15 1 1 A 35 35 SER N N 44 115.029 114.506 0.523 1
1 399 . 15 1 1 A 36 36 GLY H H 45 8.637 8.516 0.121 1
1 400 . 15 1 1 A 36 36 GLY HA2 H 45 4.338 3.947 0.391 1
1 401 . 15 1 1 A 36 36 GLY HA3 H 45 3.884 3.960 -0.076 1
1 402 . 15 1 1 A 36 36 GLY CA C 45 46.137 45.572 0.565 1
1 403 . 15 1 1 A 36 36 GLY N N 45 109.265 110.181 -0.916 1
1 404 . 15 1 1 A 37 37 GLN H H 46 8.329 8.004 0.325 1
1 405 . 15 1 1 A 37 37 GLN HA H 46 4.339 4.614 -0.275 1
1 412 . 15 1 1 A 37 37 GLN CA C 46 56.002 54.678 1.324 1
1 413 . 15 1 1 A 37 37 GLN CB C 46 30.241 30.929 -0.688 1
1 415 . 15 1 1 A 37 37 GLN N N 46 120.699 119.641 1.058 1
1 417 . 15 1 1 A 38 38 CYS H H 47 7.787 8.799 -1.012 1
1 418 . 15 1 1 A 38 38 CYS HA H 47 5.257 5.442 -0.185 1
1 420 . 15 1 1 A 38 38 CYS CA C 47 56.761 57.083 -0.322 1
1 421 . 15 1 1 A 38 38 CYS CB C 47 29.250 31.360 -2.110 1
1 422 . 15 1 1 A 38 38 CYS N N 47 124.214 124.305 -0.091 1
1 423 . 15 1 1 A 39 39 HIS H H 48 8.906 8.721 0.185 1
1 424 . 15 1 1 A 39 39 HIS HA H 48 4.730 4.946 -0.216 1
1 428 . 15 1 1 A 39 39 HIS CA C 48 54.888 54.148 0.740 1
1 429 . 15 1 1 A 39 39 HIS CB C 48 34.688 34.172 0.516 1
1 431 . 15 1 1 A 39 39 HIS N N 48 125.807 121.602 4.205 1
1 432 . 15 1 1 A 40 40 SER H H 49 8.728 8.739 -0.011 1
1 433 . 15 1 1 A 40 40 SER HA H 49 5.732 5.422 0.310 1
1 436 . 15 1 1 A 40 40 SER CA C 49 57.041 57.374 -0.333 1
1 437 . 15 1 1 A 40 40 SER CB C 49 66.274 66.487 -0.213 1
1 438 . 15 1 1 A 40 40 SER N N 49 116.034 114.344 1.690 1
1 439 . 15 1 1 A 41 41 THR H H 50 9.212 8.884 0.328 1
1 440 . 15 1 1 A 41 41 THR HA H 50 4.477 5.029 -0.552 1
1 445 . 15 1 1 A 41 41 THR CA C 50 61.457 59.725 1.732 1
1 446 . 15 1 1 A 41 41 THR CB C 50 72.337 70.703 1.634 1
1 448 . 15 1 1 A 41 41 THR N N 50 115.404 112.723 2.681 1
1 449 . 15 1 1 A 42 42 ASP H H 51 9.424 8.622 0.802 1
1 450 . 15 1 1 A 42 42 ASP HA H 51 4.676 4.603 0.073 1
1 453 . 15 1 1 A 42 42 ASP CA C 51 54.996 54.488 0.508 1
1 454 . 15 1 1 A 42 42 ASP CB C 51 41.543 41.240 0.303 1
1 455 . 15 1 1 A 42 42 ASP N N 51 119.340 121.854 -2.514 1
1 456 . 15 1 1 A 43 43 THR H H 52 8.650 8.581 0.069 1
1 457 . 15 1 1 A 43 43 THR HA H 52 4.858 5.146 -0.288 1
1 462 . 15 1 1 A 43 43 THR CA C 52 62.637 62.032 0.605 1
1 463 . 15 1 1 A 43 43 THR CB C 52 70.191 70.675 -0.484 1
1 465 . 15 1 1 A 43 43 THR N N 52 117.836 117.272 0.564 1
1 466 . 15 1 1 A 44 44 VAL H H 53 8.266 9.245 -0.979 1
1 467 . 15 1 1 A 44 44 VAL HA H 53 4.363 4.521 -0.158 1
1 475 . 15 1 1 A 44 44 VAL CA C 53 61.086 61.178 -0.092 1
1 476 . 15 1 1 A 44 44 VAL CB C 53 33.361 33.099 0.262 1
1 479 . 15 1 1 A 44 44 VAL N N 53 127.775 126.419 1.356 1
1 480 . 15 1 1 A 45 45 LYS H H 54 8.163 8.565 -0.402 1
1 481 . 15 1 1 A 45 45 LYS HA H 54 4.229 4.600 -0.371 1
1 487 . 15 1 1 A 45 45 LYS CA C 54 56.627 57.109 -0.482 1
1 488 . 15 1 1 A 45 45 LYS CB C 54 33.739 32.648 1.091 1
1 492 . 15 1 1 A 45 45 LYS N N 54 120.934 127.614 -6.680 1
1 493 . 15 1 1 A 46 46 ASN H H 55 9.642 8.852 0.790 1
1 494 . 15 1 1 A 46 46 ASN HA H 55 4.150 4.771 -0.621 1
1 499 . 15 1 1 A 46 46 ASN CA C 55 54.029 53.809 0.220 1
1 500 . 15 1 1 A 46 46 ASN CB C 55 38.668 36.231 2.437 1
1 501 . 15 1 1 A 46 46 ASN N N 55 121.215 122.383 -1.168 1
1 503 . 15 1 1 A 47 47 THR H H 56 8.246 8.146 0.100 1
1 504 . 15 1 1 A 47 47 THR HA H 56 4.661 4.813 -0.152 1
1 509 . 15 1 1 A 47 47 THR CA C 56 60.963 60.386 0.577 1
1 510 . 15 1 1 A 47 47 THR CB C 56 68.512 69.685 -1.173 1
1 512 . 15 1 1 A 47 47 THR N N 56 111.936 118.205 -6.269 1
1 513 . 15 1 1 A 48 48 LEU H H 57 8.245 8.501 -0.256 1
1 514 . 15 1 1 A 48 48 LEU HA H 57 4.410 4.685 -0.275 1
1 524 . 15 1 1 A 48 48 LEU CA C 57 53.641 54.025 -0.384 1
1 525 . 15 1 1 A 48 48 LEU CB C 57 41.570 42.681 -1.111 1
1 529 . 15 1 1 A 48 48 LEU N N 57 122.433 124.540 -2.107 1
1 530 . 15 1 1 A 49 49 ASP H H 58 8.544 7.788 0.756 1
1 531 . 15 1 1 A 49 49 ASP HA H 58 5.419 5.041 0.378 1
1 534 . 15 1 1 A 49 49 ASP CA C 58 51.826 51.825 0.001 1
1 535 . 15 1 1 A 49 49 ASP CB C 58 44.085 40.948 3.137 1
1 536 . 15 1 1 A 49 49 ASP N N 58 116.903 119.799 -2.896 1
1 537 . 15 1 1 A 50 50 PRO HA H 59 3.790 4.479 -0.689 1
1 543 . 15 1 1 A 50 50 PRO CA C 59 63.219 62.047 1.172 1
1 544 . 15 1 1 A 50 50 PRO CB C 59 32.661 32.844 -0.183 1
1 547 . 15 1 1 A 51 51 LYS H H 60 7.806 7.995 -0.189 1
1 548 . 15 1 1 A 51 51 LYS HA H 60 4.224 4.651 -0.427 1
1 555 . 15 1 1 A 51 51 LYS CA C 60 55.521 54.827 0.694 1
1 556 . 15 1 1 A 51 51 LYS CB C 60 33.826 36.252 -2.426 1
1 560 . 15 1 1 A 51 51 LYS N N 60 119.996 116.808 3.188 1
1 561 . 15 1 1 A 52 52 TRP H H 61 7.791 8.410 -0.619 1
1 562 . 15 1 1 A 52 52 TRP HA H 61 4.824 4.876 -0.052 1
1 570 . 15 1 1 A 52 52 TRP CA C 61 60.590 57.816 2.774 1
1 571 . 15 1 1 A 52 52 TRP CB C 61 29.715 31.352 -1.637 1
1 576 . 15 1 1 A 52 52 TRP N N 61 122.386 119.998 2.388 1
1 578 . 15 1 1 A 53 53 ASN H H 62 9.040 8.108 0.932 1
1 579 . 15 1 1 A 53 53 ASN HA H 62 4.419 4.373 0.046 1
1 584 . 15 1 1 A 53 53 ASN CA C 62 53.789 54.207 -0.418 1
1 585 . 15 1 1 A 53 53 ASN CB C 62 37.922 37.536 0.386 1
1 586 . 15 1 1 A 53 53 ASN N N 62 117.185 118.369 -1.184 1
1 588 . 15 1 1 A 54 54 GLN H H 63 7.512 7.304 0.208 1
1 589 . 15 1 1 A 54 54 GLN HA H 63 4.584 4.676 -0.092 1
1 596 . 15 1 1 A 54 54 GLN CA C 63 55.008 54.298 0.710 1
1 597 . 15 1 1 A 54 54 GLN CB C 63 34.938 31.178 3.760 1
1 599 . 15 1 1 A 54 54 GLN N N 63 116.341 117.873 -1.532 1
1 601 . 15 1 1 A 55 55 HIS H H 64 7.782 8.139 -0.357 1
1 602 . 15 1 1 A 55 55 HIS HA H 64 5.796 5.783 0.013 1
1 606 . 15 1 1 A 55 55 HIS CA C 64 53.059 53.348 -0.289 1
1 607 . 15 1 1 A 55 55 HIS CB C 64 34.378 33.410 0.968 1
1 609 . 15 1 1 A 55 55 HIS N N 64 118.403 117.513 0.890 1
1 610 . 15 1 1 A 56 56 TYR H H 65 8.657 8.587 0.070 1
1 611 . 15 1 1 A 56 56 TYR HA H 65 4.404 4.836 -0.432 1
1 618 . 15 1 1 A 56 56 TYR CA C 65 57.430 56.214 1.216 1
1 619 . 15 1 1 A 56 56 TYR CB C 65 42.958 41.614 1.344 1
1 622 . 15 1 1 A 56 56 TYR N N 65 116.435 119.131 -2.696 1
1 623 . 15 1 1 A 57 57 ASP H H 66 8.772 8.706 0.066 1
1 624 . 15 1 1 A 57 57 ASP HA H 66 5.283 5.306 -0.023 1
1 627 . 15 1 1 A 57 57 ASP CA C 66 54.250 53.252 0.998 1
1 628 . 15 1 1 A 57 57 ASP CB C 66 40.914 40.572 0.342 1
1 629 . 15 1 1 A 57 57 ASP N N 66 124.776 123.646 1.130 1
1 630 . 15 1 1 A 58 58 LEU H H 67 9.175 8.306 0.869 1
1 631 . 15 1 1 A 58 58 LEU HA H 67 4.589 4.770 -0.181 1
1 641 . 15 1 1 A 58 58 LEU CA C 67 53.131 53.796 -0.665 1
1 642 . 15 1 1 A 58 58 LEU CB C 67 45.060 43.942 1.118 1
1 645 . 15 1 1 A 58 58 LEU N N 67 124.558 125.109 -0.551 1
1 646 . 15 1 1 A 59 59 TYR H H 68 8.877 8.789 0.088 1
1 647 . 15 1 1 A 59 59 TYR HA H 68 5.096 5.070 0.026 1
1 654 . 15 1 1 A 59 59 TYR CA C 68 57.606 58.029 -0.423 1
1 655 . 15 1 1 A 59 59 TYR CB C 68 39.422 39.722 -0.300 1
1 658 . 15 1 1 A 59 59 TYR N N 68 121.215 122.454 -1.239 1
1 659 . 15 1 1 A 60 60 ILE H H 69 9.162 8.934 0.228 1
1 660 . 15 1 1 A 60 60 ILE HA H 69 4.551 4.624 -0.073 1
1 670 . 15 1 1 A 60 60 ILE CA C 69 59.471 59.992 -0.521 1
1 671 . 15 1 1 A 60 60 ILE CB C 69 40.500 39.437 1.063 1
1 675 . 15 1 1 A 60 60 ILE N N 69 124.823 122.998 1.825 1
1 676 . 15 1 1 A 61 61 GLY H H 70 9.960 8.721 1.239 1
1 677 . 15 1 1 A 61 61 GLY HA2 H 70 4.517 4.101 0.416 1
1 678 . 15 1 1 A 61 61 GLY HA3 H 70 3.881 4.101 -0.220 1
1 679 . 15 1 1 A 61 61 GLY CA C 70 44.083 44.538 -0.455 1
1 680 . 15 1 1 A 61 61 GLY N N 70 117.841 114.586 3.255 1
1 681 . 15 1 1 A 62 62 LYS H H 71 8.605 8.783 -0.178 1
1 682 . 15 1 1 A 62 62 LYS HA H 71 4.090 3.945 0.145 1
1 687 . 15 1 1 A 62 62 LYS CA C 71 59.447 59.069 0.378 1
1 688 . 15 1 1 A 62 62 LYS CB C 71 33.453 32.138 1.315 1
1 692 . 15 1 1 A 62 62 LYS N N 71 119.434 120.305 -0.871 1
1 693 . 15 1 1 A 63 63 SER H H 72 8.544 8.002 0.542 1
1 694 . 15 1 1 A 63 63 SER HA H 72 4.811 4.654 0.157 1
1 696 . 15 1 1 A 63 63 SER CA C 72 57.606 56.898 0.708 1
1 697 . 15 1 1 A 63 63 SER CB C 72 64.013 63.486 0.527 1
1 698 . 15 1 1 A 63 63 SER N N 72 111.842 113.740 -1.898 1
1 699 . 15 1 1 A 64 64 ASP H H 73 7.247 8.845 -1.598 1
1 700 . 15 1 1 A 64 64 ASP HA H 73 4.867 5.477 -0.610 1
1 702 . 15 1 1 A 64 64 ASP CA C 73 55.500 52.588 2.912 1
1 703 . 15 1 1 A 64 64 ASP CB C 73 43.331 44.635 -1.304 1
1 704 . 15 1 1 A 64 64 ASP N N 73 121.964 126.368 -4.404 1
1 705 . 15 1 1 A 65 65 SER H H 74 8.742 8.759 -0.017 1
1 706 . 15 1 1 A 65 65 SER HA H 74 5.074 5.332 -0.258 1
1 708 . 15 1 1 A 65 65 SER CA C 74 56.301 57.664 -1.363 1
1 709 . 15 1 1 A 65 65 SER CB C 74 67.579 67.178 0.401 1
1 710 . 15 1 1 A 65 65 SER N N 74 111.936 117.611 -5.675 1
1 711 . 15 1 1 A 66 66 VAL H H 75 8.622 8.373 0.249 1
1 712 . 15 1 1 A 66 66 VAL HA H 75 5.095 4.994 0.101 1
1 720 . 15 1 1 A 66 66 VAL CA C 75 60.217 60.769 -0.552 1
1 721 . 15 1 1 A 66 66 VAL CB C 75 36.617 35.933 0.684 1
1 724 . 15 1 1 A 66 66 VAL N N 75 119.422 121.243 -1.821 1
1 725 . 15 1 1 A 67 67 THR H H 76 9.152 8.610 0.542 1
1 726 . 15 1 1 A 67 67 THR HA H 76 5.199 4.969 0.230 1
1 731 . 15 1 1 A 67 67 THR CA C 76 63.014 61.823 1.191 1
1 732 . 15 1 1 A 67 67 THR CB C 76 69.703 70.821 -1.118 1
1 734 . 15 1 1 A 67 67 THR N N 76 123.839 122.869 0.970 1
1 735 . 15 1 1 A 68 68 ILE H H 77 9.106 8.850 0.256 1
1 736 . 15 1 1 A 68 68 ILE HA H 77 5.389 4.694 0.695 1
1 746 . 15 1 1 A 68 68 ILE CA C 77 59.844 60.537 -0.693 1
1 747 . 15 1 1 A 68 68 ILE CB C 77 40.347 38.532 1.815 1
1 751 . 15 1 1 A 68 68 ILE N N 77 129.275 128.820 0.455 1
1 752 . 15 1 1 A 69 69 SER H H 78 9.645 9.140 0.505 1
1 753 . 15 1 1 A 69 69 SER HA H 78 5.265 5.443 -0.178 1
1 756 . 15 1 1 A 69 69 SER CA C 78 56.114 55.688 0.426 1
1 757 . 15 1 1 A 69 69 SER CB C 78 66.087 66.512 -0.425 1
1 758 . 15 1 1 A 69 69 SER N N 78 120.559 120.818 -0.259 1
1 759 . 15 1 1 A 70 70 VAL H H 79 8.482 8.373 0.109 1
1 760 . 15 1 1 A 70 70 VAL HA H 79 4.676 4.835 -0.159 1
1 768 . 15 1 1 A 70 70 VAL CA C 79 60.852 60.984 -0.132 1
1 769 . 15 1 1 A 70 70 VAL CB C 79 32.992 34.563 -1.571 1
1 772 . 15 1 1 A 70 70 VAL N N 79 121.777 120.202 1.575 1
1 773 . 15 1 1 A 71 71 TRP H H 80 8.627 8.592 0.035 1
1 774 . 15 1 1 A 71 71 TRP HA H 80 4.930 5.148 -0.218 1
1 783 . 15 1 1 A 71 71 TRP CA C 80 55.182 55.075 0.107 1
1 784 . 15 1 1 A 71 71 TRP CB C 80 34.058 32.373 1.685 1
1 790 . 15 1 1 A 71 71 TRP N N 80 124.474 126.269 -1.795 1
1 792 . 15 1 1 A 72 72 ASN H H 81 9.891 8.925 0.966 1
1 793 . 15 1 1 A 72 72 ASN HA H 81 4.789 4.948 -0.159 1
1 798 . 15 1 1 A 72 72 ASN CA C 81 51.049 51.712 -0.663 1
1 799 . 15 1 1 A 72 72 ASN CB C 81 39.091 38.240 0.851 1
1 800 . 15 1 1 A 72 72 ASN N N 81 116.435 122.437 -6.002 1
1 802 . 15 1 1 A 73 73 HIS H H 82 9.967 9.158 0.809 1
1 803 . 15 1 1 A 73 73 HIS HA H 82 4.499 4.389 0.110 1
1 806 . 15 1 1 A 73 73 HIS CA C 82 60.788 60.732 0.056 1
1 807 . 15 1 1 A 73 73 HIS CB C 82 32.327 30.717 1.610 1
1 808 . 15 1 1 A 73 73 HIS N N 82 127.963 126.331 1.632 1
1 809 . 15 1 1 A 74 74 LYS H H 83 7.764 8.341 -0.577 1
1 810 . 15 1 1 A 74 74 LYS HA H 83 4.297 3.765 0.532 1
1 817 . 15 1 1 A 74 74 LYS CA C 83 59.232 59.932 -0.700 1
1 818 . 15 1 1 A 74 74 LYS CB C 83 33.640 32.209 1.431 1
1 822 . 15 1 1 A 74 74 LYS N N 83 112.592 117.715 -5.123 1
1 823 . 15 1 1 A 75 75 LYS H H 84 7.626 7.601 0.025 1
1 824 . 15 1 1 A 75 75 LYS HA H 84 4.607 3.975 0.632 1
1 832 . 15 1 1 A 75 75 LYS CA C 84 55.828 58.550 -2.722 1
1 833 . 15 1 1 A 75 75 LYS CB C 84 36.064 31.850 4.214 1
1 837 . 15 1 1 A 75 75 LYS N N 84 114.560 119.362 -4.802 1
1 838 . 15 1 1 A 76 76 ILE H H 85 7.021 7.927 -0.906 1
1 839 . 15 1 1 A 76 76 ILE HA H 85 4.132 4.313 -0.181 1
1 849 . 15 1 1 A 76 76 ILE CA C 85 64.013 64.263 -0.250 1
1 850 . 15 1 1 A 76 76 ILE CB C 85 39.146 37.599 1.547 1
1 854 . 15 1 1 A 76 76 ILE N N 85 113.811 117.314 -3.503 1
1 855 . 15 1 1 A 77 77 HIS H H 86 8.335 7.543 0.792 1
1 856 . 15 1 1 A 77 77 HIS HA H 86 4.612 4.506 0.106 1
1 859 . 15 1 1 A 77 77 HIS CA C 86 56.815 57.135 -0.320 1
1 860 . 15 1 1 A 77 77 HIS CB C 86 30.461 29.793 0.668 1
1 862 . 15 1 1 A 77 77 HIS N N 86 117.841 119.664 -1.823 1
1 863 . 15 1 1 A 78 78 LYS H H 87 7.587 7.167 0.420 1
1 864 . 15 1 1 A 78 78 LYS HA H 87 4.094 3.876 0.218 1
1 870 . 15 1 1 A 78 78 LYS CA C 87 57.628 59.665 -2.037 1
1 871 . 15 1 1 A 78 78 LYS CB C 87 32.893 32.538 0.355 1
1 875 . 15 1 1 A 78 78 LYS N N 87 120.652 120.892 -0.240 1
1 876 . 15 1 1 A 79 79 LYS H H 88 7.585 7.146 0.439 1
1 877 . 15 1 1 A 79 79 LYS HA H 88 4.304 4.585 -0.281 1
1 883 . 15 1 1 A 79 79 LYS CA C 88 56.467 54.813 1.654 1
1 884 . 15 1 1 A 79 79 LYS CB C 88 34.013 35.597 -1.584 1
1 888 . 15 1 1 A 79 79 LYS N N 88 115.872 117.468 -1.596 1
1 889 . 15 1 1 A 80 80 GLN H H 89 8.625 8.509 0.116 1
1 890 . 15 1 1 A 80 80 GLN HA H 89 4.192 3.965 0.227 1
1 893 . 15 1 1 A 80 80 GLN CA C 89 57.590 57.722 -0.132 1
1 894 . 15 1 1 A 80 80 GLN CB C 89 28.331 28.313 0.018 1
1 896 . 15 1 1 A 80 80 GLN N N 89 121.308 121.748 -0.440 1
1 897 . 15 1 1 A 81 81 GLY H H 90 8.791 8.967 -0.176 1
1 898 . 15 1 1 A 81 81 GLY HA2 H 90 4.332 4.031 0.301 1
1 899 . 15 1 1 A 81 81 GLY HA3 H 90 3.850 4.064 -0.214 1
1 900 . 15 1 1 A 81 81 GLY CA C 90 45.950 45.377 0.573 1
1 901 . 15 1 1 A 81 81 GLY N N 90 112.984 114.947 -1.963 1
1 902 . 15 1 1 A 82 82 ALA H H 91 7.951 7.940 0.011 1
1 903 . 15 1 1 A 82 82 ALA HA H 91 4.485 4.173 0.312 1
1 907 . 15 1 1 A 82 82 ALA CA C 91 53.404 53.584 -0.180 1
1 908 . 15 1 1 A 82 82 ALA CB C 91 20.762 18.463 2.299 1
1 909 . 15 1 1 A 82 82 ALA N N 91 123.745 123.845 -0.100 1
1 910 . 15 1 1 A 83 83 GLY H H 92 8.860 8.867 -0.007 1
1 911 . 15 1 1 A 83 83 GLY HA2 H 92 4.270 4.141 0.129 1
1 912 . 15 1 1 A 83 83 GLY HA3 H 92 4.262 4.272 -0.010 1
1 913 . 15 1 1 A 83 83 GLY CA C 92 46.689 45.214 1.475 1
1 914 . 15 1 1 A 83 83 GLY N N 92 105.564 110.870 -5.306 1
1 915 . 15 1 1 A 84 84 PHE H H 93 8.113 7.889 0.224 1
1 916 . 15 1 1 A 84 84 PHE HA H 93 3.440 4.326 -0.886 1
1 924 . 15 1 1 A 84 84 PHE CA C 93 59.932 56.507 3.425 1
1 925 . 15 1 1 A 84 84 PHE CB C 93 39.141 41.548 -2.407 1
1 929 . 15 1 1 A 84 84 PHE N N 93 121.215 119.982 1.233 1
1 930 . 15 1 1 A 85 85 LEU H H 94 8.204 7.960 0.244 1
1 931 . 15 1 1 A 85 85 LEU HA H 94 4.334 4.047 0.287 1
1 938 . 15 1 1 A 85 85 LEU CA C 94 53.569 55.488 -1.919 1
1 939 . 15 1 1 A 85 85 LEU CB C 94 43.255 43.094 0.161 1
1 942 . 15 1 1 A 85 85 LEU N N 94 125.432 126.138 -0.706 1
1 943 . 15 1 1 A 86 86 GLY HA2 H 95 4.222 3.787 0.435 1
1 944 . 15 1 1 A 86 86 GLY HA3 H 95 3.147 3.895 -0.748 1
1 945 . 15 1 1 A 86 86 GLY CA C 95 45.570 44.877 0.693 1
1 946 . 15 1 1 A 87 87 CYS H H 96 9.230 8.522 0.708 1
1 947 . 15 1 1 A 87 87 CYS HA H 96 5.838 5.238 0.600 1
1 949 . 15 1 1 A 87 87 CYS CA C 96 55.882 57.518 -1.636 1
1 950 . 15 1 1 A 87 87 CYS CB C 96 33.259 28.976 4.283 1
1 951 . 15 1 1 A 87 87 CYS N N 96 114.935 124.912 -9.977 1
1 952 . 15 1 1 A 88 88 VAL H H 97 9.242 9.188 0.054 1
1 953 . 15 1 1 A 88 88 VAL HA H 97 4.575 4.830 -0.255 1
1 961 . 15 1 1 A 88 88 VAL CA C 97 61.769 60.288 1.481 1
1 962 . 15 1 1 A 88 88 VAL CB C 97 35.684 33.977 1.707 1
1 965 . 15 1 1 A 88 88 VAL N N 97 115.966 125.945 -9.979 1
1 966 . 15 1 1 A 89 89 ARG H H 98 8.665 9.206 -0.541 1
1 967 . 15 1 1 A 89 89 ARG HA H 98 5.166 5.215 -0.049 1
1 973 . 15 1 1 A 89 89 ARG CA C 98 54.929 54.369 0.560 1
1 974 . 15 1 1 A 89 89 ARG CB C 98 31.961 33.545 -1.584 1
1 977 . 15 1 1 A 89 89 ARG N N 98 125.526 129.921 -4.395 1
1 978 . 15 1 1 A 90 90 LEU H H 99 9.611 8.707 0.904 1
1 979 . 15 1 1 A 90 90 LEU HA H 99 4.644 5.262 -0.618 1
1 989 . 15 1 1 A 90 90 LEU CA C 99 53.217 53.125 0.092 1
1 990 . 15 1 1 A 90 90 LEU CB C 99 43.339 44.968 -1.629 1
1 994 . 15 1 1 A 90 90 LEU N N 99 127.119 127.342 -0.223 1
1 995 . 15 1 1 A 91 91 LEU H H 100 7.953 8.626 -0.673 1
1 996 . 15 1 1 A 91 91 LEU HA H 100 4.540 4.712 -0.172 1
1 1005 . 15 1 1 A 91 91 LEU CA C 100 54.523 53.838 0.685 1
1 1006 . 15 1 1 A 91 91 LEU CB C 100 42.593 42.735 -0.142 1
1 1010 . 15 1 1 A 91 91 LEU N N 100 122.527 124.269 -1.742 1
1 1011 . 15 1 1 A 92 92 SER H H 101 8.754 8.490 0.264 1
1 1012 . 15 1 1 A 92 92 SER HA H 101 3.950 4.156 -0.206 1
1 1013 . 15 1 1 A 92 92 SER CA C 101 63.171 61.613 1.558 1
1 1014 . 15 1 1 A 92 92 SER N N 101 115.966 116.292 -0.326 1
1 1015 . 15 1 1 A 93 93 ASN H H 102 7.765 8.666 -0.901 1
1 1016 . 15 1 1 A 93 93 ASN HA H 102 4.500 4.446 0.054 1
1 1020 . 15 1 1 A 93 93 ASN CA C 102 56.487 56.091 0.396 1
1 1021 . 15 1 1 A 93 93 ASN CB C 102 37.514 37.668 -0.154 1
1 1022 . 15 1 1 A 93 93 ASN N N 102 116.950 119.096 -2.146 1
1 1024 . 15 1 1 A 94 94 ALA H H 103 7.345 7.629 -0.284 1
1 1025 . 15 1 1 A 94 94 ALA HA H 103 4.230 4.112 0.118 1
1 1029 . 15 1 1 A 94 94 ALA CA C 103 54.843 55.044 -0.201 1
1 1030 . 15 1 1 A 94 94 ALA CB C 103 19.643 18.480 1.163 1
1 1031 . 15 1 1 A 94 94 ALA N N 103 124.495 122.126 2.369 1
1 1032 . 15 1 1 A 95 95 ILE H H 104 8.322 8.223 0.099 1
1 1033 . 15 1 1 A 95 95 ILE HA H 104 3.280 3.605 -0.325 1
1 1043 . 15 1 1 A 95 95 ILE CA C 104 66.184 64.776 1.408 1
1 1044 . 15 1 1 A 95 95 ILE CB C 104 37.922 37.364 0.558 1
1 1048 . 15 1 1 A 95 95 ILE N N 104 119.310 119.363 -0.053 1
1 1049 . 15 1 1 A 96 96 ASN H H 105 7.815 7.762 0.053 1
1 1050 . 15 1 1 A 96 96 ASN HA H 105 4.332 4.471 -0.139 1
1 1052 . 15 1 1 A 96 96 ASN CA C 105 56.487 56.112 0.375 1
1 1053 . 15 1 1 A 96 96 ASN CB C 105 38.855 38.156 0.699 1
1 1054 . 15 1 1 A 96 96 ASN N N 105 114.748 118.900 -4.152 1
1 1055 . 15 1 1 A 97 97 ARG H H 106 7.595 7.747 -0.152 1
1 1056 . 15 1 1 A 97 97 ARG HA H 106 4.257 4.062 0.195 1
1 1061 . 15 1 1 A 97 97 ARG CA C 106 58.294 58.912 -0.618 1
1 1062 . 15 1 1 A 97 97 ARG CB C 106 31.401 29.628 1.773 1
1 1065 . 15 1 1 A 97 97 ARG N N 106 117.934 119.261 -1.327 1
1 1066 . 15 1 1 A 98 98 LEU H H 107 8.179 8.437 -0.258 1
1 1067 . 15 1 1 A 98 98 LEU HA H 107 4.288 4.209 0.079 1
1 1077 . 15 1 1 A 98 98 LEU CA C 107 55.735 57.800 -2.065 1
1 1078 . 15 1 1 A 98 98 LEU CB C 107 44.264 41.264 3.000 1
1 1082 . 15 1 1 A 98 98 LEU N N 107 116.341 119.376 -3.035 1
1 1083 . 15 1 1 A 99 99 LYS H H 108 8.058 8.629 -0.571 1
1 1084 . 15 1 1 A 99 99 LYS HA H 108 4.078 4.064 0.014 1
1 1091 . 15 1 1 A 99 99 LYS CA C 108 58.256 58.846 -0.590 1
1 1092 . 15 1 1 A 99 99 LYS CB C 108 32.520 31.842 0.678 1
1 1096 . 15 1 1 A 99 99 LYS N N 108 123.558 117.879 5.679 1
1 1097 . 15 1 1 A 100 100 ASP H H 109 9.305 7.613 1.692 1
1 1098 . 15 1 1 A 100 100 ASP HA H 109 4.672 4.524 0.148 1
1 1101 . 15 1 1 A 100 100 ASP CA C 109 57.047 56.266 0.781 1
1 1102 . 15 1 1 A 100 100 ASP CB C 109 39.041 40.717 -1.676 1
1 1103 . 15 1 1 A 100 100 ASP N N 109 115.779 119.326 -3.547 1
1 1104 . 15 1 1 A 101 101 THR H H 110 7.546 7.773 -0.227 1
1 1105 . 15 1 1 A 101 101 THR HA H 110 4.675 4.139 0.536 1
1 1110 . 15 1 1 A 101 101 THR CA C 110 61.895 63.614 -1.719 1
1 1111 . 15 1 1 A 101 101 THR CB C 110 70.432 69.710 0.722 1
1 1113 . 15 1 1 A 101 101 THR N N 110 129.087 110.063 19.024 1
1 1114 . 15 1 1 A 102 102 GLY H H 111 8.921 8.244 0.677 1
1 1115 . 15 1 1 A 102 102 GLY HA2 H 111 4.337 3.737 0.600 1
1 1116 . 15 1 1 A 102 102 GLY HA3 H 111 3.563 3.748 -0.185 1
1 1117 . 15 1 1 A 102 102 GLY CA C 111 44.062 45.318 -1.256 1
1 1118 . 15 1 1 A 102 102 GLY N N 111 112.780 110.881 1.899 1
1 1119 . 15 1 1 A 103 103 TYR H H 112 8.255 8.024 0.231 1
1 1120 . 15 1 1 A 103 103 TYR HA H 112 4.574 5.450 -0.876 1
1 1127 . 15 1 1 A 103 103 TYR CA C 112 59.745 56.652 3.093 1
1 1128 . 15 1 1 A 103 103 TYR CB C 112 38.295 41.538 -3.243 1
1 1131 . 15 1 1 A 103 103 TYR N N 112 117.653 118.729 -1.076 1
1 1132 . 15 1 1 A 104 104 GLN H H 113 9.435 9.026 0.409 1
1 1133 . 15 1 1 A 104 104 GLN HA H 113 4.659 5.061 -0.402 1
1 1140 . 15 1 1 A 104 104 GLN CA C 113 53.852 54.460 -0.608 1
1 1141 . 15 1 1 A 104 104 GLN CB C 113 31.128 31.644 -0.516 1
1 1143 . 15 1 1 A 104 104 GLN N N 113 121.964 123.721 -1.757 1
1 1145 . 15 1 1 A 105 105 ARG H H 114 8.670 8.894 -0.224 1
1 1146 . 15 1 1 A 105 105 ARG HA H 114 4.838 5.179 -0.341 1
1 1151 . 15 1 1 A 105 105 ARG CA C 114 55.090 55.084 0.006 1
1 1152 . 15 1 1 A 105 105 ARG CB C 114 31.401 32.187 -0.786 1
1 1155 . 15 1 1 A 105 105 ARG N N 114 122.246 122.985 -0.739 1
1 1156 . 15 1 1 A 106 106 LEU H H 115 9.269 8.644 0.625 1
1 1157 . 15 1 1 A 106 106 LEU HA H 115 4.843 4.894 -0.051 1
1 1163 . 15 1 1 A 106 106 LEU CA C 115 53.317 53.708 -0.391 1
1 1164 . 15 1 1 A 106 106 LEU CB C 115 44.570 43.793 0.777 1
1 1166 . 15 1 1 A 106 106 LEU N N 115 126.088 126.153 -0.065 1
1 1167 . 15 1 1 A 107 107 ASP H H 116 8.582 8.676 -0.094 1
1 1168 . 15 1 1 A 107 107 ASP HA H 116 4.748 4.823 -0.075 1
1 1171 . 15 1 1 A 107 107 ASP CA C 116 55.402 54.338 1.064 1
1 1172 . 15 1 1 A 107 107 ASP CB C 116 41.280 41.577 -0.297 1
1 1173 . 15 1 1 A 107 107 ASP N N 116 122.714 124.675 -1.961 1
1 1174 . 15 1 1 A 108 108 LEU H H 117 8.067 8.666 -0.599 1
1 1175 . 15 1 1 A 108 108 LEU HA H 117 4.195 4.571 -0.376 1
1 1185 . 15 1 1 A 108 108 LEU CA C 117 55.308 54.397 0.911 1
1 1186 . 15 1 1 A 108 108 LEU CB C 117 42.871 40.782 2.089 1
1 1190 . 15 1 1 A 108 108 LEU N N 117 121.121 125.598 -4.477 1
1 1191 . 15 1 1 A 109 109 CYS H H 118 9.705 8.596 1.109 1
1 1192 . 15 1 1 A 109 109 CYS HA H 118 4.839 5.134 -0.295 1
1 1195 . 15 1 1 A 109 109 CYS CA C 118 57.979 56.460 1.519 1
1 1196 . 15 1 1 A 109 109 CYS CB C 118 31.953 30.772 1.181 1
1 1197 . 15 1 1 A 109 109 CYS N N 118 118.403 123.041 -4.638 1
1 1198 . 15 1 1 A 110 110 LYS H H 119 8.419 8.325 0.094 1
1 1199 . 15 1 1 A 110 110 LYS HA H 119 4.426 4.568 -0.142 1
1 1207 . 15 1 1 A 110 110 LYS CA C 119 56.957 56.671 0.286 1
1 1208 . 15 1 1 A 110 110 LYS CB C 119 34.386 33.017 1.369 1
1 1212 . 15 1 1 A 110 110 LYS N N 119 120.090 119.205 0.885 1
1 1213 . 15 1 1 A 111 111 LEU H H 120 9.016 8.383 0.633 1
1 1214 . 15 1 1 A 111 111 LEU HA H 120 4.054 3.936 0.118 1
1 1223 . 15 1 1 A 111 111 LEU CA C 120 57.694 56.427 1.267 1
1 1224 . 15 1 1 A 111 111 LEU CB C 120 43.062 42.315 0.747 1
1 1227 . 15 1 1 A 111 111 LEU N N 120 123.089 122.820 0.269 1
1 1228 . 15 1 1 A 112 112 GLY H H 121 7.578 7.153 0.425 1
1 1229 . 15 1 1 A 112 112 GLY HA2 H 121 4.320 4.041 0.279 1
1 1230 . 15 1 1 A 112 112 GLY HA3 H 121 3.863 4.055 -0.192 1
1 1231 . 15 1 1 A 112 112 GLY CA C 121 44.644 44.998 -0.354 1
1 1232 . 15 1 1 A 112 112 GLY N N 121 105.939 104.513 1.426 1
1 1233 . 15 1 1 A 113 113 PRO HA H 122 4.365 4.421 -0.056 1
1 1240 . 15 1 1 A 113 113 PRO CA C 122 64.692 64.208 0.484 1
1 1241 . 15 1 1 A 113 113 PRO CB C 122 32.663 31.817 0.846 1
1 1244 . 15 1 1 A 114 114 ASN H H 123 8.603 8.189 0.414 1
1 1245 . 15 1 1 A 114 114 ASN HA H 123 4.899 4.847 0.052 1
1 1250 . 15 1 1 A 114 114 ASN CA C 123 52.944 52.894 0.050 1
1 1251 . 15 1 1 A 114 114 ASN CB C 123 39.041 39.185 -0.144 1
1 1252 . 15 1 1 A 114 114 ASN N N 123 115.591 115.307 0.284 1
1 1254 . 15 1 1 A 115 115 ASP H H 124 7.507 7.580 -0.073 1
1 1255 . 15 1 1 A 115 115 ASP HA H 124 4.507 4.910 -0.403 1
1 1258 . 15 1 1 A 115 115 ASP CA C 124 54.843 52.392 2.451 1
1 1259 . 15 1 1 A 115 115 ASP CB C 124 41.620 43.663 -2.043 1
1 1260 . 15 1 1 A 115 115 ASP N N 124 121.215 120.729 0.486 1
1 1261 . 15 1 1 A 116 116 ASN H H 125 8.741 8.577 0.164 1
1 1262 . 15 1 1 A 116 116 ASN HA H 125 4.823 4.517 0.306 1
1 1267 . 15 1 1 A 116 116 ASN CA C 125 53.447 52.923 0.524 1
1 1268 . 15 1 1 A 116 116 ASN CB C 125 43.830 38.316 5.514 1
1 1269 . 15 1 1 A 116 116 ASN N N 125 120.137 121.649 -1.512 1
1 1271 . 15 1 1 A 117 117 ASP H H 126 8.039 8.153 -0.114 1
1 1272 . 15 1 1 A 117 117 ASP HA H 126 4.745 4.347 0.398 1
1 1274 . 15 1 1 A 117 117 ASP CA C 126 54.436 54.888 -0.452 1
1 1275 . 15 1 1 A 117 117 ASP CB C 126 42.046 39.278 2.768 1
1 1276 . 15 1 1 A 117 117 ASP N N 126 120.746 119.023 1.723 1
1 1277 . 15 1 1 A 118 118 THR H H 127 8.361 8.088 0.273 1
1 1278 . 15 1 1 A 118 118 THR HA H 127 4.331 4.676 -0.345 1
1 1283 . 15 1 1 A 118 118 THR CA C 127 62.454 60.080 2.374 1
1 1284 . 15 1 1 A 118 118 THR CB C 127 70.191 68.661 1.530 1
1 1286 . 15 1 1 A 118 118 THR N N 127 116.903 110.997 5.906 1
1 1287 . 15 1 1 A 119 119 VAL H H 128 8.152 7.766 0.386 1
1 1288 . 15 1 1 A 119 119 VAL HA H 128 4.172 4.951 -0.779 1
1 1296 . 15 1 1 A 119 119 VAL CA C 128 61.051 59.392 1.659 1
1 1297 . 15 1 1 A 119 119 VAL CB C 128 35.124 35.610 -0.486 1
1 1300 . 15 1 1 A 119 119 VAL N N 128 119.903 118.876 1.027 1
1 1301 . 15 1 1 A 120 120 ARG H H 129 7.884 8.643 -0.759 1
1 1302 . 15 1 1 A 120 120 ARG HA H 129 4.719 4.539 0.180 1
1 1307 . 15 1 1 A 120 120 ARG CA C 129 55.555 55.656 -0.101 1
1 1308 . 15 1 1 A 120 120 ARG CB C 129 34.945 32.545 2.400 1
1 1311 . 15 1 1 A 120 120 ARG N N 129 122.621 121.857 0.764 1
1 1312 . 15 1 1 A 121 121 GLY H H 130 8.289 7.580 0.709 1
1 1313 . 15 1 1 A 121 121 GLY HA2 H 130 4.605 3.997 0.608 1
1 1314 . 15 1 1 A 121 121 GLY HA3 H 130 3.803 4.014 -0.211 1
1 1315 . 15 1 1 A 121 121 GLY CA C 130 45.756 44.516 1.240 1
1 1316 . 15 1 1 A 121 121 GLY N N 130 107.626 109.280 -1.654 1
1 1317 . 15 1 1 A 122 122 GLN H H 131 8.408 8.707 -0.299 1
1 1318 . 15 1 1 A 122 122 GLN HA H 131 5.434 5.259 0.175 1
1 1323 . 15 1 1 A 122 122 GLN CA C 131 54.809 54.338 0.471 1
1 1324 . 15 1 1 A 122 122 GLN CB C 131 34.756 33.344 1.412 1
1 1326 . 15 1 1 A 122 122 GLN N N 131 114.654 118.552 -3.898 1
1 1328 . 15 1 1 A 123 123 ILE H H 132 9.273 8.633 0.640 1
1 1329 . 15 1 1 A 123 123 ILE HA H 132 5.207 4.673 0.534 1
1 1339 . 15 1 1 A 123 123 ILE CA C 132 59.284 60.199 -0.915 1
1 1340 . 15 1 1 A 123 123 ILE CB C 132 44.085 41.625 2.460 1
1 1344 . 15 1 1 A 123 123 ILE N N 132 118.216 121.519 -3.303 1
1 1345 . 15 1 1 A 124 124 VAL H H 133 8.750 9.135 -0.385 1
1 1346 . 15 1 1 A 124 124 VAL HA H 133 5.338 4.813 0.525 1
1 1354 . 15 1 1 A 124 124 VAL CA C 133 61.611 61.637 -0.026 1
1 1355 . 15 1 1 A 124 124 VAL CB C 133 32.620 32.729 -0.109 1
1 1358 . 15 1 1 A 124 124 VAL N N 133 126.088 129.195 -3.107 1
1 1359 . 15 1 1 A 125 125 VAL H H 134 8.698 9.240 -0.542 1
1 1360 . 15 1 1 A 125 125 VAL HA H 134 5.859 5.610 0.249 1
1 1368 . 15 1 1 A 125 125 VAL CA C 134 57.880 59.247 -1.367 1
1 1369 . 15 1 1 A 125 125 VAL CB C 134 36.990 36.386 0.604 1
1 1372 . 15 1 1 A 125 125 VAL N N 134 117.895 121.842 -3.947 1
1 1373 . 15 1 1 A 126 126 SER H H 135 8.746 8.775 -0.029 1
1 1374 . 15 1 1 A 126 126 SER HA H 135 4.881 5.334 -0.453 1
1 1377 . 15 1 1 A 126 126 SER CA C 135 56.860 56.802 0.058 1
1 1378 . 15 1 1 A 126 126 SER CB C 135 66.695 65.833 0.862 1
1 1379 . 15 1 1 A 126 126 SER N N 135 112.967 115.345 -2.378 1
1 1380 . 15 1 1 A 127 127 LEU H H 136 9.710 9.030 0.680 1
1 1381 . 15 1 1 A 127 127 LEU HA H 136 5.244 4.958 0.286 1
1 1390 . 15 1 1 A 127 127 LEU CA C 136 54.436 53.491 0.945 1
1 1391 . 15 1 1 A 127 127 LEU CB C 136 46.137 42.445 3.692 1
1 1395 . 15 1 1 A 127 127 LEU N N 136 125.760 126.564 -0.804 1
1 1396 . 15 1 1 A 128 128 GLN H H 137 9.256 8.318 0.938 1
1 1397 . 15 1 1 A 128 128 GLN HA H 137 5.128 5.722 -0.594 1
1 1404 . 15 1 1 A 128 128 GLN CA C 137 54.063 54.541 -0.478 1
1 1405 . 15 1 1 A 128 128 GLN CB C 137 34.063 32.455 1.608 1
1 1407 . 15 1 1 A 128 128 GLN N N 137 125.526 125.690 -0.164 1
1 1409 . 15 1 1 A 129 129 SER H H 138 8.222 8.666 -0.444 1
1 1410 . 15 1 1 A 129 129 SER HA H 138 4.476 4.474 0.002 1
1 1413 . 15 1 1 A 129 129 SER CA C 138 60.814 58.137 2.677 1
1 1414 . 15 1 1 A 129 129 SER CB C 138 63.116 64.091 -0.975 1
1 1415 . 15 1 1 A 129 129 SER N N 138 125.620 119.682 5.938 1
1 1416 . 15 1 1 A 130 130 ARG H H 139 8.032 8.605 -0.573 1
1 1417 . 15 1 1 A 130 130 ARG HA H 139 4.601 4.907 -0.306 1
1 1424 . 15 1 1 A 130 130 ARG CA C 139 53.934 54.508 -0.574 1
1 1425 . 15 1 1 A 130 130 ARG CB C 139 32.334 33.008 -0.674 1
1 1428 . 15 1 1 A 130 130 ARG N N 139 123.136 122.225 0.911 1
1 6 . 16 1 1 A 2 2 PRO HA H 11 4.498 4.686 -0.188 1
1 11 . 16 1 1 A 2 2 PRO CA C 11 63.103 62.821 0.282 1
1 12 . 16 1 1 A 2 2 PRO CB C 11 32.993 32.612 0.381 1
1 15 . 16 1 1 A 3 3 VAL H H 12 8.356 8.036 0.320 1
1 16 . 16 1 1 A 3 3 VAL HA H 12 4.370 4.782 -0.412 1
1 24 . 16 1 1 A 3 3 VAL CA C 12 60.982 59.714 1.268 1
1 25 . 16 1 1 A 3 3 VAL CB C 12 34.005 33.975 0.030 1
1 28 . 16 1 1 A 3 3 VAL N N 12 119.528 115.380 4.148 1
1 29 . 16 1 1 A 4 4 LYS H H 13 8.542 8.867 -0.325 1
1 30 . 16 1 1 A 4 4 LYS HA H 13 4.752 4.754 -0.002 1
1 38 . 16 1 1 A 4 4 LYS CA C 13 55.339 55.462 -0.123 1
1 39 . 16 1 1 A 4 4 LYS CB C 13 33.640 33.729 -0.089 1
1 43 . 16 1 1 A 4 4 LYS N N 13 125.901 124.943 0.958 1
1 44 . 16 1 1 A 5 5 LEU H H 14 8.887 9.012 -0.125 1
1 45 . 16 1 1 A 5 5 LEU HA H 14 4.927 5.013 -0.086 1
1 51 . 16 1 1 A 5 5 LEU CA C 14 52.944 53.844 -0.900 1
1 52 . 16 1 1 A 5 5 LEU CB C 14 47.069 44.525 2.544 1
1 54 . 16 1 1 A 5 5 LEU N N 14 126.276 129.068 -2.792 1
1 55 . 16 1 1 A 6 6 ARG H H 15 9.361 8.603 0.758 1
1 56 . 16 1 1 A 6 6 ARG HA H 15 5.205 5.700 -0.495 1
1 61 . 16 1 1 A 6 6 ARG CA C 15 55.064 54.818 0.246 1
1 62 . 16 1 1 A 6 6 ARG CB C 15 31.979 32.206 -0.227 1
1 64 . 16 1 1 A 6 6 ARG N N 15 123.745 125.161 -1.416 1
1 65 . 16 1 1 A 7 7 LEU H H 16 9.694 8.633 1.061 1
1 66 . 16 1 1 A 7 7 LEU HA H 16 5.437 4.940 0.497 1
1 73 . 16 1 1 A 7 7 LEU CA C 16 53.777 53.654 0.123 1
1 74 . 16 1 1 A 7 7 LEU CB C 16 45.577 43.400 2.177 1
1 77 . 16 1 1 A 7 7 LEU N N 16 111.467 126.989 -15.522 1
1 78 . 16 1 1 A 8 8 THR H H 17 9.470 9.083 0.387 1
1 79 . 16 1 1 A 8 8 THR HA H 17 4.904 4.908 -0.004 1
1 84 . 16 1 1 A 8 8 THR CA C 17 62.827 62.248 0.579 1
1 85 . 16 1 1 A 8 8 THR CB C 17 69.540 69.222 0.318 1
1 87 . 16 1 1 A 8 8 THR N N 17 124.589 124.519 0.070 1
1 88 . 16 1 1 A 9 9 VAL H H 18 9.339 8.978 0.361 1
1 89 . 16 1 1 A 9 9 VAL HA H 18 4.374 4.149 0.225 1
1 97 . 16 1 1 A 9 9 VAL CA C 18 61.708 62.828 -1.120 1
1 98 . 16 1 1 A 9 9 VAL CB C 18 31.021 30.575 0.446 1
1 101 . 16 1 1 A 9 9 VAL N N 18 127.963 127.889 0.074 1
1 102 . 16 1 1 A 10 10 LEU H H 19 8.957 8.353 0.604 1
1 103 . 16 1 1 A 10 10 LEU HA H 19 4.334 4.235 0.099 1
1 113 . 16 1 1 A 10 10 LEU CA C 19 59.232 57.950 1.282 1
1 114 . 16 1 1 A 10 10 LEU CB C 19 43.525 42.671 0.854 1
1 118 . 16 1 1 A 10 10 LEU N N 19 127.775 129.388 -1.613 1
1 119 . 16 1 1 A 11 11 CYS H H 20 8.038 7.546 0.492 1
1 120 . 16 1 1 A 11 11 CYS HA H 20 5.152 4.596 0.556 1
1 123 . 16 1 1 A 11 11 CYS CA C 20 55.928 57.200 -1.272 1
1 124 . 16 1 1 A 11 11 CYS CB C 20 30.655 30.113 0.542 1
1 125 . 16 1 1 A 11 11 CYS N N 20 109.968 112.724 -2.756 1
1 126 . 16 1 1 A 12 12 ALA H H 21 8.485 8.130 0.355 1
1 127 . 16 1 1 A 12 12 ALA HA H 21 5.397 5.389 0.008 1
1 131 . 16 1 1 A 12 12 ALA CA C 21 50.707 50.416 0.291 1
1 132 . 16 1 1 A 12 12 ALA CB C 21 22.550 23.172 -0.622 1
1 133 . 16 1 1 A 12 12 ALA N N 21 119.247 123.709 -4.462 1
1 134 . 16 1 1 A 13 13 LYS H H 22 8.905 8.918 -0.013 1
1 135 . 16 1 1 A 13 13 LYS HA H 22 5.144 4.781 0.363 1
1 141 . 16 1 1 A 13 13 LYS CA C 22 54.063 54.763 -0.700 1
1 142 . 16 1 1 A 13 13 LYS CB C 22 37.217 35.993 1.224 1
1 146 . 16 1 1 A 13 13 LYS N N 22 117.934 119.938 -2.004 1
1 147 . 16 1 1 A 14 14 ASN H H 23 9.099 9.017 0.082 1
1 148 . 16 1 1 A 14 14 ASN HA H 23 4.187 4.313 -0.126 1
1 153 . 16 1 1 A 14 14 ASN CA C 23 53.735 53.800 -0.065 1
1 154 . 16 1 1 A 14 14 ASN CB C 23 37.736 36.943 0.793 1
1 155 . 16 1 1 A 14 14 ASN N N 23 118.684 119.983 -1.299 1
1 157 . 16 1 1 A 15 15 LEU H H 24 8.294 7.922 0.372 1
1 158 . 16 1 1 A 15 15 LEU HA H 24 5.161 4.249 0.912 1
1 165 . 16 1 1 A 15 15 LEU CA C 24 55.261 55.044 0.217 1
1 166 . 16 1 1 A 15 15 LEU CB C 24 42.966 41.599 1.367 1
1 169 . 16 1 1 A 15 15 LEU N N 24 114.373 119.831 -5.458 1
1 170 . 16 1 1 A 16 16 VAL H H 25 8.533 8.516 0.017 1
1 171 . 16 1 1 A 16 16 VAL HA H 25 3.635 3.955 -0.320 1
1 179 . 16 1 1 A 16 16 VAL CA C 25 62.318 63.207 -0.889 1
1 180 . 16 1 1 A 16 16 VAL CB C 25 33.064 32.413 0.651 1
1 183 . 16 1 1 A 16 16 VAL N N 25 119.200 125.308 -6.108 1
1 184 . 16 1 1 A 17 17 LYS H H 26 7.950 8.351 -0.401 1
1 185 . 16 1 1 A 17 17 LYS HA H 26 4.302 4.004 0.298 1
1 192 . 16 1 1 A 17 17 LYS CA C 26 54.150 58.317 -4.167 1
1 193 . 16 1 1 A 17 17 LYS CB C 26 33.826 31.952 1.874 1
1 197 . 16 1 1 A 17 17 LYS N N 26 128.056 126.170 1.886 1
1 198 . 16 1 1 A 18 18 LYS H H 27 8.549 7.814 0.735 1
1 199 . 16 1 1 A 18 18 LYS HA H 27 4.078 3.812 0.266 1
1 207 . 16 1 1 A 18 18 LYS CA C 27 58.626 58.669 -0.043 1
1 208 . 16 1 1 A 18 18 LYS CB C 27 33.826 31.018 2.808 1
1 211 . 16 1 1 A 18 18 LYS N N 27 125.760 114.321 11.439 1
1 212 . 16 1 1 A 19 19 ASP H H 28 8.438 8.433 0.005 1
1 213 . 16 1 1 A 19 19 ASP HA H 28 4.801 4.879 -0.078 1
1 216 . 16 1 1 A 19 19 ASP CA C 28 52.964 53.118 -0.154 1
1 217 . 16 1 1 A 19 19 ASP CB C 28 43.518 42.418 1.100 1
1 218 . 16 1 1 A 19 19 ASP N N 28 119.247 118.527 0.720 1
1 219 . 16 1 1 A 20 20 PHE H H 29 8.506 8.377 0.129 1
1 220 . 16 1 1 A 20 20 PHE HA H 29 4.049 4.137 -0.088 1
1 227 . 16 1 1 A 20 20 PHE CA C 29 60.767 59.044 1.723 1
1 228 . 16 1 1 A 20 20 PHE CB C 29 39.305 38.791 0.514 1
1 231 . 16 1 1 A 20 20 PHE N N 29 122.011 122.490 -0.479 1
1 232 . 16 1 1 A 21 21 PHE H H 30 8.350 9.139 -0.789 1
1 233 . 16 1 1 A 21 21 PHE HA H 30 4.677 4.538 0.139 1
1 240 . 16 1 1 A 21 21 PHE CA C 30 57.789 59.401 -1.612 1
1 241 . 16 1 1 A 21 21 PHE CB C 30 40.824 38.757 2.067 1
1 244 . 16 1 1 A 21 21 PHE N N 30 113.764 121.989 -8.225 1
1 245 . 16 1 1 A 22 22 ARG H H 31 7.631 7.876 -0.245 1
1 246 . 16 1 1 A 22 22 ARG HA H 31 4.614 4.588 0.026 1
1 252 . 16 1 1 A 22 22 ARG CA C 31 55.325 55.134 0.191 1
1 253 . 16 1 1 A 22 22 ARG CB C 31 33.640 31.929 1.711 1
1 256 . 16 1 1 A 22 22 ARG N N 31 118.778 120.820 -2.042 1
1 257 . 16 1 1 A 23 23 LEU H H 32 8.699 8.528 0.171 1
1 258 . 16 1 1 A 23 23 LEU HA H 32 4.509 4.855 -0.346 1
1 268 . 16 1 1 A 23 23 LEU CA C 32 52.758 50.983 1.775 1
1 269 . 16 1 1 A 23 23 LEU CB C 32 42.593 45.629 -3.036 1
1 273 . 16 1 1 A 23 23 LEU N N 32 123.464 121.462 2.002 1
1 274 . 16 1 1 A 24 24 PRO HA H 33 4.648 4.796 -0.148 1
1 281 . 16 1 1 A 24 24 PRO CA C 33 62.753 62.111 0.642 1
1 282 . 16 1 1 A 24 24 PRO CB C 33 33.965 32.844 1.121 1
1 285 . 16 1 1 A 25 25 ASP H H 34 7.463 8.590 -1.127 1
1 286 . 16 1 1 A 25 25 ASP HA H 34 6.052 5.931 0.121 1
1 289 . 16 1 1 A 25 25 ASP CA C 34 51.080 51.802 -0.722 1
1 290 . 16 1 1 A 25 25 ASP CB C 34 42.779 41.797 0.982 1
1 291 . 16 1 1 A 25 25 ASP N N 34 117.091 121.156 -4.065 1
1 292 . 16 1 1 A 26 26 PRO HA H 35 5.968 5.224 0.744 1
1 299 . 16 1 1 A 26 26 PRO CA C 35 62.827 62.873 -0.046 1
1 300 . 16 1 1 A 26 26 PRO CB C 35 35.132 32.835 2.297 1
1 303 . 16 1 1 A 27 27 PHE H H 36 9.284 8.837 0.447 1
1 304 . 16 1 1 A 27 27 PHE HA H 36 5.009 5.247 -0.238 1
1 312 . 16 1 1 A 27 27 PHE CA C 36 56.301 56.189 0.112 1
1 313 . 16 1 1 A 27 27 PHE CB C 36 42.689 41.273 1.416 1
1 317 . 16 1 1 A 27 27 PHE N N 36 120.090 118.776 1.314 1
1 318 . 16 1 1 A 28 28 ALA H H 37 8.408 8.577 -0.169 1
1 319 . 16 1 1 A 28 28 ALA HA H 37 5.481 5.236 0.245 1
1 323 . 16 1 1 A 28 28 ALA CA C 37 49.186 49.777 -0.591 1
1 324 . 16 1 1 A 28 28 ALA CB C 37 20.389 22.613 -2.224 1
1 325 . 16 1 1 A 28 28 ALA N N 37 122.433 121.339 1.094 1
1 326 . 16 1 1 A 29 29 LYS H H 38 9.617 8.830 0.787 1
1 327 . 16 1 1 A 29 29 LYS HA H 38 5.267 5.649 -0.382 1
1 335 . 16 1 1 A 29 29 LYS CA C 38 54.901 55.037 -0.136 1
1 336 . 16 1 1 A 29 29 LYS CB C 38 36.624 35.860 0.764 1
1 340 . 16 1 1 A 29 29 LYS N N 38 121.964 119.377 2.587 1
1 341 . 16 1 1 A 30 30 VAL H H 39 9.159 8.570 0.589 1
1 342 . 16 1 1 A 30 30 VAL HA H 39 4.494 4.783 -0.289 1
1 350 . 16 1 1 A 30 30 VAL CA C 39 61.335 60.431 0.904 1
1 351 . 16 1 1 A 30 30 VAL CB C 39 34.954 33.634 1.320 1
1 354 . 16 1 1 A 30 30 VAL N N 39 124.497 125.530 -1.033 1
1 355 . 16 1 1 A 31 31 VAL H H 40 8.659 8.993 -0.334 1
1 356 . 16 1 1 A 31 31 VAL HA H 40 5.091 4.833 0.258 1
1 364 . 16 1 1 A 31 31 VAL CA C 40 59.898 59.256 0.642 1
1 365 . 16 1 1 A 31 31 VAL CB C 40 36.959 35.706 1.253 1
1 368 . 16 1 1 A 31 31 VAL N N 40 124.589 122.147 2.442 1
1 369 . 16 1 1 A 32 32 VAL H H 41 7.786 8.894 -1.108 1
1 370 . 16 1 1 A 32 32 VAL HA H 41 4.660 4.577 0.083 1
1 378 . 16 1 1 A 32 32 VAL CA C 41 62.268 61.224 1.044 1
1 379 . 16 1 1 A 32 32 VAL CB C 41 30.995 32.902 -1.907 1
1 382 . 16 1 1 A 32 32 VAL N N 41 125.385 124.969 0.416 1
1 383 . 16 1 1 A 33 33 ASP H H 42 8.568 8.967 -0.399 1
1 384 . 16 1 1 A 33 33 ASP HA H 42 4.310 4.703 -0.393 1
1 386 . 16 1 1 A 33 33 ASP CA C 42 57.321 53.214 4.107 1
1 387 . 16 1 1 A 33 33 ASP CB C 42 40.727 39.295 1.432 1
1 388 . 16 1 1 A 33 33 ASP N N 42 130.868 128.217 2.651 1
1 389 . 16 1 1 A 34 34 GLY HA2 H 43 4.230 4.025 0.205 1
1 390 . 16 1 1 A 34 34 GLY HA3 H 43 3.818 4.030 -0.212 1
1 391 . 16 1 1 A 34 34 GLY CA C 43 46.510 45.588 0.922 1
1 392 . 16 1 1 A 35 35 SER H H 44 8.049 7.867 0.182 1
1 393 . 16 1 1 A 35 35 SER HA H 44 4.928 4.762 0.166 1
1 396 . 16 1 1 A 35 35 SER CA C 44 58.067 59.588 -1.521 1
1 397 . 16 1 1 A 35 35 SER CB C 44 67.393 65.128 2.265 1
1 398 . 16 1 1 A 35 35 SER N N 44 115.029 114.421 0.608 1
1 399 . 16 1 1 A 36 36 GLY H H 45 8.637 7.949 0.688 1
1 400 . 16 1 1 A 36 36 GLY HA2 H 45 4.338 4.019 0.319 1
1 401 . 16 1 1 A 36 36 GLY HA3 H 45 3.884 4.022 -0.138 1
1 402 . 16 1 1 A 36 36 GLY CA C 45 46.137 45.286 0.851 1
1 403 . 16 1 1 A 36 36 GLY N N 45 109.265 108.596 0.669 1
1 404 . 16 1 1 A 37 37 GLN H H 46 8.329 7.918 0.411 1
1 405 . 16 1 1 A 37 37 GLN HA H 46 4.339 4.216 0.123 1
1 412 . 16 1 1 A 37 37 GLN CA C 46 56.002 56.852 -0.850 1
1 413 . 16 1 1 A 37 37 GLN CB C 46 30.241 29.225 1.016 1
1 415 . 16 1 1 A 37 37 GLN N N 46 120.699 120.698 0.001 1
1 417 . 16 1 1 A 38 38 CYS H H 47 7.787 8.462 -0.675 1
1 418 . 16 1 1 A 38 38 CYS HA H 47 5.257 5.815 -0.558 1
1 420 . 16 1 1 A 38 38 CYS CA C 47 56.761 56.908 -0.147 1
1 421 . 16 1 1 A 38 38 CYS CB C 47 29.250 30.618 -1.368 1
1 422 . 16 1 1 A 38 38 CYS N N 47 124.214 122.693 1.521 1
1 423 . 16 1 1 A 39 39 HIS H H 48 8.906 8.372 0.534 1
1 424 . 16 1 1 A 39 39 HIS HA H 48 4.730 5.052 -0.322 1
1 428 . 16 1 1 A 39 39 HIS CA C 48 54.888 54.219 0.669 1
1 429 . 16 1 1 A 39 39 HIS CB C 48 34.688 34.327 0.361 1
1 431 . 16 1 1 A 39 39 HIS N N 48 125.807 119.912 5.895 1
1 432 . 16 1 1 A 40 40 SER H H 49 8.728 8.869 -0.141 1
1 433 . 16 1 1 A 40 40 SER HA H 49 5.732 5.729 0.003 1
1 436 . 16 1 1 A 40 40 SER CA C 49 57.041 57.204 -0.163 1
1 437 . 16 1 1 A 40 40 SER CB C 49 66.274 66.599 -0.325 1
1 438 . 16 1 1 A 40 40 SER N N 49 116.034 114.112 1.922 1
1 439 . 16 1 1 A 41 41 THR H H 50 9.212 9.033 0.179 1
1 440 . 16 1 1 A 41 41 THR HA H 50 4.477 5.088 -0.611 1
1 445 . 16 1 1 A 41 41 THR CA C 50 61.457 59.460 1.997 1
1 446 . 16 1 1 A 41 41 THR CB C 50 72.337 71.113 1.224 1
1 448 . 16 1 1 A 41 41 THR N N 50 115.404 112.622 2.782 1
1 449 . 16 1 1 A 42 42 ASP H H 51 9.424 8.606 0.818 1
1 450 . 16 1 1 A 42 42 ASP HA H 51 4.676 4.588 0.088 1
1 453 . 16 1 1 A 42 42 ASP CA C 51 54.996 54.464 0.532 1
1 454 . 16 1 1 A 42 42 ASP CB C 51 41.543 41.267 0.276 1
1 455 . 16 1 1 A 42 42 ASP N N 51 119.340 122.299 -2.959 1
1 456 . 16 1 1 A 43 43 THR H H 52 8.650 8.489 0.161 1
1 457 . 16 1 1 A 43 43 THR HA H 52 4.858 5.002 -0.144 1
1 462 . 16 1 1 A 43 43 THR CA C 52 62.637 62.072 0.565 1
1 463 . 16 1 1 A 43 43 THR CB C 52 70.191 70.466 -0.275 1
1 465 . 16 1 1 A 43 43 THR N N 52 117.836 117.984 -0.148 1
1 466 . 16 1 1 A 44 44 VAL H H 53 8.266 9.065 -0.799 1
1 467 . 16 1 1 A 44 44 VAL HA H 53 4.363 4.510 -0.147 1
1 475 . 16 1 1 A 44 44 VAL CA C 53 61.086 61.148 -0.062 1
1 476 . 16 1 1 A 44 44 VAL CB C 53 33.361 32.821 0.540 1
1 479 . 16 1 1 A 44 44 VAL N N 53 127.775 126.915 0.860 1
1 480 . 16 1 1 A 45 45 LYS H H 54 8.163 8.675 -0.512 1
1 481 . 16 1 1 A 45 45 LYS HA H 54 4.229 4.702 -0.473 1
1 487 . 16 1 1 A 45 45 LYS CA C 54 56.627 57.025 -0.398 1
1 488 . 16 1 1 A 45 45 LYS CB C 54 33.739 32.704 1.035 1
1 492 . 16 1 1 A 45 45 LYS N N 54 120.934 127.522 -6.588 1
1 493 . 16 1 1 A 46 46 ASN H H 55 9.642 8.966 0.676 1
1 494 . 16 1 1 A 46 46 ASN HA H 55 4.150 4.615 -0.465 1
1 499 . 16 1 1 A 46 46 ASN CA C 55 54.029 53.839 0.190 1
1 500 . 16 1 1 A 46 46 ASN CB C 55 38.668 36.041 2.627 1
1 501 . 16 1 1 A 46 46 ASN N N 55 121.215 121.979 -0.764 1
1 503 . 16 1 1 A 47 47 THR H H 56 8.246 8.069 0.177 1
1 504 . 16 1 1 A 47 47 THR HA H 56 4.661 4.815 -0.154 1
1 509 . 16 1 1 A 47 47 THR CA C 56 60.963 60.311 0.652 1
1 510 . 16 1 1 A 47 47 THR CB C 56 68.512 69.723 -1.211 1
1 512 . 16 1 1 A 47 47 THR N N 56 111.936 118.047 -6.111 1
1 513 . 16 1 1 A 48 48 LEU H H 57 8.245 8.561 -0.316 1
1 514 . 16 1 1 A 48 48 LEU HA H 57 4.410 4.665 -0.255 1
1 524 . 16 1 1 A 48 48 LEU CA C 57 53.641 54.100 -0.459 1
1 525 . 16 1 1 A 48 48 LEU CB C 57 41.570 43.156 -1.586 1
1 529 . 16 1 1 A 48 48 LEU N N 57 122.433 124.838 -2.405 1
1 530 . 16 1 1 A 49 49 ASP H H 58 8.544 7.565 0.979 1
1 531 . 16 1 1 A 49 49 ASP HA H 58 5.419 5.217 0.202 1
1 534 . 16 1 1 A 49 49 ASP CA C 58 51.826 51.489 0.337 1
1 535 . 16 1 1 A 49 49 ASP CB C 58 44.085 41.534 2.551 1
1 536 . 16 1 1 A 49 49 ASP N N 58 116.903 118.761 -1.858 1
1 537 . 16 1 1 A 50 50 PRO HA H 59 3.790 4.458 -0.668 1
1 543 . 16 1 1 A 50 50 PRO CA C 59 63.219 62.022 1.197 1
1 544 . 16 1 1 A 50 50 PRO CB C 59 32.661 32.905 -0.244 1
1 547 . 16 1 1 A 51 51 LYS H H 60 7.806 7.872 -0.066 1
1 548 . 16 1 1 A 51 51 LYS HA H 60 4.224 4.630 -0.406 1
1 555 . 16 1 1 A 51 51 LYS CA C 60 55.521 54.846 0.675 1
1 556 . 16 1 1 A 51 51 LYS CB C 60 33.826 35.751 -1.925 1
1 560 . 16 1 1 A 51 51 LYS N N 60 119.996 116.724 3.272 1
1 561 . 16 1 1 A 52 52 TRP H H 61 7.791 8.284 -0.493 1
1 562 . 16 1 1 A 52 52 TRP HA H 61 4.824 4.850 -0.026 1
1 570 . 16 1 1 A 52 52 TRP CA C 61 60.590 57.547 3.043 1
1 571 . 16 1 1 A 52 52 TRP CB C 61 29.715 31.339 -1.624 1
1 576 . 16 1 1 A 52 52 TRP N N 61 122.386 119.996 2.390 1
1 578 . 16 1 1 A 53 53 ASN H H 62 9.040 7.944 1.096 1
1 579 . 16 1 1 A 53 53 ASN HA H 62 4.419 4.436 -0.017 1
1 584 . 16 1 1 A 53 53 ASN CA C 62 53.789 54.113 -0.324 1
1 585 . 16 1 1 A 53 53 ASN CB C 62 37.922 36.255 1.667 1
1 586 . 16 1 1 A 53 53 ASN N N 62 117.185 117.445 -0.260 1
1 588 . 16 1 1 A 54 54 GLN H H 63 7.512 7.658 -0.146 1
1 589 . 16 1 1 A 54 54 GLN HA H 63 4.584 4.733 -0.149 1
1 596 . 16 1 1 A 54 54 GLN CA C 63 55.008 54.188 0.820 1
1 597 . 16 1 1 A 54 54 GLN CB C 63 34.938 31.395 3.543 1
1 599 . 16 1 1 A 54 54 GLN N N 63 116.341 118.492 -2.151 1
1 601 . 16 1 1 A 55 55 HIS H H 64 7.782 8.165 -0.383 1
1 602 . 16 1 1 A 55 55 HIS HA H 64 5.796 5.737 0.059 1
1 606 . 16 1 1 A 55 55 HIS CA C 64 53.059 53.118 -0.059 1
1 607 . 16 1 1 A 55 55 HIS CB C 64 34.378 32.835 1.543 1
1 609 . 16 1 1 A 55 55 HIS N N 64 118.403 117.599 0.804 1
1 610 . 16 1 1 A 56 56 TYR H H 65 8.657 8.602 0.055 1
1 611 . 16 1 1 A 56 56 TYR HA H 65 4.404 4.908 -0.504 1
1 618 . 16 1 1 A 56 56 TYR CA C 65 57.430 56.461 0.969 1
1 619 . 16 1 1 A 56 56 TYR CB C 65 42.958 41.694 1.264 1
1 622 . 16 1 1 A 56 56 TYR N N 65 116.435 118.024 -1.589 1
1 623 . 16 1 1 A 57 57 ASP H H 66 8.772 8.666 0.106 1
1 624 . 16 1 1 A 57 57 ASP HA H 66 5.283 5.208 0.075 1
1 627 . 16 1 1 A 57 57 ASP CA C 66 54.250 53.634 0.616 1
1 628 . 16 1 1 A 57 57 ASP CB C 66 40.914 41.727 -0.813 1
1 629 . 16 1 1 A 57 57 ASP N N 66 124.776 123.259 1.517 1
1 630 . 16 1 1 A 58 58 LEU H H 67 9.175 8.654 0.521 1
1 631 . 16 1 1 A 58 58 LEU HA H 67 4.589 4.814 -0.225 1
1 641 . 16 1 1 A 58 58 LEU CA C 67 53.131 53.613 -0.482 1
1 642 . 16 1 1 A 58 58 LEU CB C 67 45.060 45.217 -0.157 1
1 645 . 16 1 1 A 58 58 LEU N N 67 124.558 124.872 -0.314 1
1 646 . 16 1 1 A 59 59 TYR H H 68 8.877 8.610 0.267 1
1 647 . 16 1 1 A 59 59 TYR HA H 68 5.096 5.232 -0.136 1
1 654 . 16 1 1 A 59 59 TYR CA C 68 57.606 58.477 -0.871 1
1 655 . 16 1 1 A 59 59 TYR CB C 68 39.422 39.761 -0.339 1
1 658 . 16 1 1 A 59 59 TYR N N 68 121.215 122.531 -1.316 1
1 659 . 16 1 1 A 60 60 ILE H H 69 9.162 8.843 0.319 1
1 660 . 16 1 1 A 60 60 ILE HA H 69 4.551 4.655 -0.104 1
1 670 . 16 1 1 A 60 60 ILE CA C 69 59.471 60.014 -0.543 1
1 671 . 16 1 1 A 60 60 ILE CB C 69 40.500 40.120 0.380 1
1 675 . 16 1 1 A 60 60 ILE N N 69 124.823 122.281 2.542 1
1 676 . 16 1 1 A 61 61 GLY H H 70 9.960 8.827 1.133 1
1 677 . 16 1 1 A 61 61 GLY HA2 H 70 4.517 4.118 0.399 1
1 678 . 16 1 1 A 61 61 GLY HA3 H 70 3.881 4.123 -0.242 1
1 679 . 16 1 1 A 61 61 GLY CA C 70 44.083 44.492 -0.409 1
1 680 . 16 1 1 A 61 61 GLY N N 70 117.841 115.076 2.765 1
1 681 . 16 1 1 A 62 62 LYS H H 71 8.605 8.832 -0.227 1
1 682 . 16 1 1 A 62 62 LYS HA H 71 4.090 3.919 0.171 1
1 687 . 16 1 1 A 62 62 LYS CA C 71 59.447 59.096 0.351 1
1 688 . 16 1 1 A 62 62 LYS CB C 71 33.453 32.203 1.250 1
1 692 . 16 1 1 A 62 62 LYS N N 71 119.434 119.960 -0.526 1
1 693 . 16 1 1 A 63 63 SER H H 72 8.544 7.961 0.583 1
1 694 . 16 1 1 A 63 63 SER HA H 72 4.811 4.724 0.087 1
1 696 . 16 1 1 A 63 63 SER CA C 72 57.606 56.519 1.087 1
1 697 . 16 1 1 A 63 63 SER CB C 72 64.013 63.103 0.910 1
1 698 . 16 1 1 A 63 63 SER N N 72 111.842 109.485 2.357 1
1 699 . 16 1 1 A 64 64 ASP H H 73 7.247 8.661 -1.414 1
1 700 . 16 1 1 A 64 64 ASP HA H 73 4.867 5.337 -0.470 1
1 702 . 16 1 1 A 64 64 ASP CA C 73 55.500 52.958 2.542 1
1 703 . 16 1 1 A 64 64 ASP CB C 73 43.331 44.532 -1.201 1
1 704 . 16 1 1 A 64 64 ASP N N 73 121.964 123.590 -1.626 1
1 705 . 16 1 1 A 65 65 SER H H 74 8.742 8.650 0.092 1
1 706 . 16 1 1 A 65 65 SER HA H 74 5.074 5.262 -0.188 1
1 708 . 16 1 1 A 65 65 SER CA C 74 56.301 57.076 -0.775 1
1 709 . 16 1 1 A 65 65 SER CB C 74 67.579 66.671 0.908 1
1 710 . 16 1 1 A 65 65 SER N N 74 111.936 113.707 -1.771 1
1 711 . 16 1 1 A 66 66 VAL H H 75 8.622 8.356 0.266 1
1 712 . 16 1 1 A 66 66 VAL HA H 75 5.095 5.025 0.070 1
1 720 . 16 1 1 A 66 66 VAL CA C 75 60.217 60.461 -0.244 1
1 721 . 16 1 1 A 66 66 VAL CB C 75 36.617 35.859 0.758 1
1 724 . 16 1 1 A 66 66 VAL N N 75 119.422 120.494 -1.072 1
1 725 . 16 1 1 A 67 67 THR H H 76 9.152 8.680 0.472 1
1 726 . 16 1 1 A 67 67 THR HA H 76 5.199 4.978 0.221 1
1 731 . 16 1 1 A 67 67 THR CA C 76 63.014 61.968 1.046 1
1 732 . 16 1 1 A 67 67 THR CB C 76 69.703 71.263 -1.560 1
1 734 . 16 1 1 A 67 67 THR N N 76 123.839 122.513 1.326 1
1 735 . 16 1 1 A 68 68 ILE H H 77 9.106 9.134 -0.028 1
1 736 . 16 1 1 A 68 68 ILE HA H 77 5.389 4.851 0.538 1
1 746 . 16 1 1 A 68 68 ILE CA C 77 59.844 60.411 -0.567 1
1 747 . 16 1 1 A 68 68 ILE CB C 77 40.347 39.031 1.316 1
1 751 . 16 1 1 A 68 68 ILE N N 77 129.275 129.977 -0.702 1
1 752 . 16 1 1 A 69 69 SER H H 78 9.645 9.250 0.395 1
1 753 . 16 1 1 A 69 69 SER HA H 78 5.265 5.391 -0.126 1
1 756 . 16 1 1 A 69 69 SER CA C 78 56.114 56.511 -0.397 1
1 757 . 16 1 1 A 69 69 SER CB C 78 66.087 64.876 1.211 1
1 758 . 16 1 1 A 69 69 SER N N 78 120.559 121.771 -1.212 1
1 759 . 16 1 1 A 70 70 VAL H H 79 8.482 8.443 0.039 1
1 760 . 16 1 1 A 70 70 VAL HA H 79 4.676 4.463 0.213 1
1 768 . 16 1 1 A 70 70 VAL CA C 79 60.852 61.076 -0.224 1
1 769 . 16 1 1 A 70 70 VAL CB C 79 32.992 32.403 0.589 1
1 772 . 16 1 1 A 70 70 VAL N N 79 121.777 125.259 -3.482 1
1 773 . 16 1 1 A 71 71 TRP H H 80 8.627 8.420 0.207 1
1 774 . 16 1 1 A 71 71 TRP HA H 80 4.930 4.961 -0.031 1
1 783 . 16 1 1 A 71 71 TRP CA C 80 55.182 55.088 0.094 1
1 784 . 16 1 1 A 71 71 TRP CB C 80 34.058 33.470 0.588 1
1 790 . 16 1 1 A 71 71 TRP N N 80 124.474 127.089 -2.615 1
1 792 . 16 1 1 A 72 72 ASN H H 81 9.891 9.189 0.702 1
1 793 . 16 1 1 A 72 72 ASN HA H 81 4.789 5.055 -0.266 1
1 798 . 16 1 1 A 72 72 ASN CA C 81 51.049 52.548 -1.499 1
1 799 . 16 1 1 A 72 72 ASN CB C 81 39.091 38.255 0.836 1
1 800 . 16 1 1 A 72 72 ASN N N 81 116.435 121.716 -5.281 1
1 802 . 16 1 1 A 73 73 HIS H H 82 9.967 9.211 0.756 1
1 803 . 16 1 1 A 73 73 HIS HA H 82 4.499 4.337 0.162 1
1 806 . 16 1 1 A 73 73 HIS CA C 82 60.788 60.599 0.189 1
1 807 . 16 1 1 A 73 73 HIS CB C 82 32.327 30.838 1.489 1
1 808 . 16 1 1 A 73 73 HIS N N 82 127.963 126.186 1.777 1
1 809 . 16 1 1 A 74 74 LYS H H 83 7.764 8.270 -0.506 1
1 810 . 16 1 1 A 74 74 LYS HA H 83 4.297 3.834 0.463 1
1 817 . 16 1 1 A 74 74 LYS CA C 83 59.232 59.815 -0.583 1
1 818 . 16 1 1 A 74 74 LYS CB C 83 33.640 32.207 1.433 1
1 822 . 16 1 1 A 74 74 LYS N N 83 112.592 118.220 -5.628 1
1 823 . 16 1 1 A 75 75 LYS H H 84 7.626 7.753 -0.127 1
1 824 . 16 1 1 A 75 75 LYS HA H 84 4.607 4.196 0.411 1
1 832 . 16 1 1 A 75 75 LYS CA C 84 55.828 59.063 -3.235 1
1 833 . 16 1 1 A 75 75 LYS CB C 84 36.064 31.919 4.145 1
1 837 . 16 1 1 A 75 75 LYS N N 84 114.560 119.749 -5.189 1
1 838 . 16 1 1 A 76 76 ILE H H 85 7.021 8.102 -1.081 1
1 839 . 16 1 1 A 76 76 ILE HA H 85 4.132 4.021 0.111 1
1 849 . 16 1 1 A 76 76 ILE CA C 85 64.013 64.097 -0.084 1
1 850 . 16 1 1 A 76 76 ILE CB C 85 39.146 37.402 1.744 1
1 854 . 16 1 1 A 76 76 ILE N N 85 113.811 117.877 -4.066 1
1 855 . 16 1 1 A 77 77 HIS H H 86 8.335 7.619 0.716 1
1 856 . 16 1 1 A 77 77 HIS HA H 86 4.612 4.186 0.426 1
1 859 . 16 1 1 A 77 77 HIS CA C 86 56.815 58.551 -1.736 1
1 860 . 16 1 1 A 77 77 HIS CB C 86 30.461 30.465 -0.004 1
1 862 . 16 1 1 A 77 77 HIS N N 86 117.841 122.710 -4.869 1
1 863 . 16 1 1 A 78 78 LYS H H 87 7.587 7.724 -0.137 1
1 864 . 16 1 1 A 78 78 LYS HA H 87 4.094 4.125 -0.031 1
1 870 . 16 1 1 A 78 78 LYS CA C 87 57.628 58.313 -0.685 1
1 871 . 16 1 1 A 78 78 LYS CB C 87 32.893 33.498 -0.605 1
1 875 . 16 1 1 A 78 78 LYS N N 87 120.652 119.262 1.390 1
1 876 . 16 1 1 A 79 79 LYS H H 88 7.585 7.959 -0.374 1
1 877 . 16 1 1 A 79 79 LYS HA H 88 4.304 4.348 -0.044 1
1 883 . 16 1 1 A 79 79 LYS CA C 88 56.467 58.242 -1.775 1
1 884 . 16 1 1 A 79 79 LYS CB C 88 34.013 31.208 2.805 1
1 888 . 16 1 1 A 79 79 LYS N N 88 115.872 118.170 -2.298 1
1 889 . 16 1 1 A 80 80 GLN H H 89 8.625 8.775 -0.150 1
1 890 . 16 1 1 A 80 80 GLN HA H 89 4.192 4.227 -0.035 1
1 893 . 16 1 1 A 80 80 GLN CA C 89 57.590 56.692 0.898 1
1 894 . 16 1 1 A 80 80 GLN CB C 89 28.331 28.368 -0.037 1
1 896 . 16 1 1 A 80 80 GLN N N 89 121.308 120.735 0.573 1
1 897 . 16 1 1 A 81 81 GLY H H 90 8.791 8.785 0.006 1
1 898 . 16 1 1 A 81 81 GLY HA2 H 90 4.332 3.909 0.423 1
1 899 . 16 1 1 A 81 81 GLY HA3 H 90 3.850 3.930 -0.080 1
1 900 . 16 1 1 A 81 81 GLY CA C 90 45.950 46.870 -0.920 1
1 901 . 16 1 1 A 81 81 GLY N N 90 112.984 110.505 2.479 1
1 902 . 16 1 1 A 82 82 ALA H H 91 7.951 7.679 0.272 1
1 903 . 16 1 1 A 82 82 ALA HA H 91 4.485 4.119 0.366 1
1 907 . 16 1 1 A 82 82 ALA CA C 91 53.404 53.870 -0.466 1
1 908 . 16 1 1 A 82 82 ALA CB C 91 20.762 18.725 2.037 1
1 909 . 16 1 1 A 82 82 ALA N N 91 123.745 123.604 0.141 1
1 910 . 16 1 1 A 83 83 GLY H H 92 8.860 8.965 -0.105 1
1 911 . 16 1 1 A 83 83 GLY HA2 H 92 4.270 4.194 0.076 1
1 912 . 16 1 1 A 83 83 GLY HA3 H 92 4.262 4.244 0.018 1
1 913 . 16 1 1 A 83 83 GLY CA C 92 46.689 45.456 1.233 1
1 914 . 16 1 1 A 83 83 GLY N N 92 105.564 111.019 -5.455 1
1 915 . 16 1 1 A 84 84 PHE H H 93 8.113 8.130 -0.017 1
1 916 . 16 1 1 A 84 84 PHE HA H 93 3.440 4.456 -1.016 1
1 924 . 16 1 1 A 84 84 PHE CA C 93 59.932 58.572 1.360 1
1 925 . 16 1 1 A 84 84 PHE CB C 93 39.141 39.857 -0.716 1
1 929 . 16 1 1 A 84 84 PHE N N 93 121.215 121.391 -0.176 1
1 930 . 16 1 1 A 85 85 LEU H H 94 8.204 7.577 0.627 1
1 931 . 16 1 1 A 85 85 LEU HA H 94 4.334 4.338 -0.004 1
1 938 . 16 1 1 A 85 85 LEU CA C 94 53.569 55.537 -1.968 1
1 939 . 16 1 1 A 85 85 LEU CB C 94 43.255 43.917 -0.662 1
1 942 . 16 1 1 A 85 85 LEU N N 94 125.432 124.809 0.623 1
1 943 . 16 1 1 A 86 86 GLY HA2 H 95 4.222 3.745 0.477 1
1 944 . 16 1 1 A 86 86 GLY HA3 H 95 3.147 3.838 -0.691 1
1 945 . 16 1 1 A 86 86 GLY CA C 95 45.570 45.216 0.354 1
1 946 . 16 1 1 A 87 87 CYS H H 96 9.230 8.670 0.560 1
1 947 . 16 1 1 A 87 87 CYS HA H 96 5.838 4.993 0.845 1
1 949 . 16 1 1 A 87 87 CYS CA C 96 55.882 57.292 -1.410 1
1 950 . 16 1 1 A 87 87 CYS CB C 96 33.259 28.826 4.433 1
1 951 . 16 1 1 A 87 87 CYS N N 96 114.935 125.192 -10.257 1
1 952 . 16 1 1 A 88 88 VAL H H 97 9.242 9.043 0.199 1
1 953 . 16 1 1 A 88 88 VAL HA H 97 4.575 4.833 -0.258 1
1 961 . 16 1 1 A 88 88 VAL CA C 97 61.769 60.224 1.545 1
1 962 . 16 1 1 A 88 88 VAL CB C 97 35.684 33.849 1.835 1
1 965 . 16 1 1 A 88 88 VAL N N 97 115.966 125.239 -9.273 1
1 966 . 16 1 1 A 89 89 ARG H H 98 8.665 8.911 -0.246 1
1 967 . 16 1 1 A 89 89 ARG HA H 98 5.166 5.085 0.081 1
1 973 . 16 1 1 A 89 89 ARG CA C 98 54.929 54.676 0.253 1
1 974 . 16 1 1 A 89 89 ARG CB C 98 31.961 33.334 -1.373 1
1 977 . 16 1 1 A 89 89 ARG N N 98 125.526 128.188 -2.662 1
1 978 . 16 1 1 A 90 90 LEU H H 99 9.611 8.620 0.991 1
1 979 . 16 1 1 A 90 90 LEU HA H 99 4.644 5.223 -0.579 1
1 989 . 16 1 1 A 90 90 LEU CA C 99 53.217 53.421 -0.204 1
1 990 . 16 1 1 A 90 90 LEU CB C 99 43.339 45.409 -2.070 1
1 994 . 16 1 1 A 90 90 LEU N N 99 127.119 124.204 2.915 1
1 995 . 16 1 1 A 91 91 LEU H H 100 7.953 8.731 -0.778 1
1 996 . 16 1 1 A 91 91 LEU HA H 100 4.540 4.803 -0.263 1
1 1005 . 16 1 1 A 91 91 LEU CA C 100 54.523 53.431 1.092 1
1 1006 . 16 1 1 A 91 91 LEU CB C 100 42.593 43.315 -0.722 1
1 1010 . 16 1 1 A 91 91 LEU N N 100 122.527 123.856 -1.329 1
1 1011 . 16 1 1 A 92 92 SER H H 101 8.754 8.983 -0.229 1
1 1012 . 16 1 1 A 92 92 SER HA H 101 3.950 4.133 -0.183 1
1 1013 . 16 1 1 A 92 92 SER CA C 101 63.171 61.638 1.533 1
1 1014 . 16 1 1 A 92 92 SER N N 101 115.966 117.025 -1.059 1
1 1015 . 16 1 1 A 93 93 ASN H H 102 7.765 8.271 -0.506 1
1 1016 . 16 1 1 A 93 93 ASN HA H 102 4.500 4.474 0.026 1
1 1020 . 16 1 1 A 93 93 ASN CA C 102 56.487 56.402 0.085 1
1 1021 . 16 1 1 A 93 93 ASN CB C 102 37.514 37.993 -0.479 1
1 1022 . 16 1 1 A 93 93 ASN N N 102 116.950 120.034 -3.084 1
1 1024 . 16 1 1 A 94 94 ALA H H 103 7.345 7.626 -0.281 1
1 1025 . 16 1 1 A 94 94 ALA HA H 103 4.230 4.117 0.113 1
1 1029 . 16 1 1 A 94 94 ALA CA C 103 54.843 55.024 -0.181 1
1 1030 . 16 1 1 A 94 94 ALA CB C 103 19.643 18.445 1.198 1
1 1031 . 16 1 1 A 94 94 ALA N N 103 124.495 122.952 1.543 1
1 1032 . 16 1 1 A 95 95 ILE H H 104 8.322 8.170 0.152 1
1 1033 . 16 1 1 A 95 95 ILE HA H 104 3.280 3.603 -0.323 1
1 1043 . 16 1 1 A 95 95 ILE CA C 104 66.184 64.977 1.207 1
1 1044 . 16 1 1 A 95 95 ILE CB C 104 37.922 37.489 0.433 1
1 1048 . 16 1 1 A 95 95 ILE N N 104 119.310 119.333 -0.023 1
1 1049 . 16 1 1 A 96 96 ASN H H 105 7.815 7.757 0.058 1
1 1050 . 16 1 1 A 96 96 ASN HA H 105 4.332 4.467 -0.135 1
1 1052 . 16 1 1 A 96 96 ASN CA C 105 56.487 56.137 0.350 1
1 1053 . 16 1 1 A 96 96 ASN CB C 105 38.855 38.153 0.702 1
1 1054 . 16 1 1 A 96 96 ASN N N 105 114.748 118.891 -4.143 1
1 1055 . 16 1 1 A 97 97 ARG H H 106 7.595 7.740 -0.145 1
1 1056 . 16 1 1 A 97 97 ARG HA H 106 4.257 4.080 0.177 1
1 1061 . 16 1 1 A 97 97 ARG CA C 106 58.294 58.921 -0.627 1
1 1062 . 16 1 1 A 97 97 ARG CB C 106 31.401 29.717 1.684 1
1 1065 . 16 1 1 A 97 97 ARG N N 106 117.934 119.233 -1.299 1
1 1066 . 16 1 1 A 98 98 LEU H H 107 8.179 8.244 -0.065 1
1 1067 . 16 1 1 A 98 98 LEU HA H 107 4.288 4.375 -0.087 1
1 1077 . 16 1 1 A 98 98 LEU CA C 107 55.735 57.603 -1.868 1
1 1078 . 16 1 1 A 98 98 LEU CB C 107 44.264 41.185 3.079 1
1 1082 . 16 1 1 A 98 98 LEU N N 107 116.341 119.220 -2.879 1
1 1083 . 16 1 1 A 99 99 LYS H H 108 8.058 8.639 -0.581 1
1 1084 . 16 1 1 A 99 99 LYS HA H 108 4.078 4.053 0.025 1
1 1091 . 16 1 1 A 99 99 LYS CA C 108 58.256 58.843 -0.587 1
1 1092 . 16 1 1 A 99 99 LYS CB C 108 32.520 31.928 0.592 1
1 1096 . 16 1 1 A 99 99 LYS N N 108 123.558 117.681 5.877 1
1 1097 . 16 1 1 A 100 100 ASP H H 109 9.305 7.780 1.525 1
1 1098 . 16 1 1 A 100 100 ASP HA H 109 4.672 4.551 0.121 1
1 1101 . 16 1 1 A 100 100 ASP CA C 109 57.047 56.110 0.937 1
1 1102 . 16 1 1 A 100 100 ASP CB C 109 39.041 41.282 -2.241 1
1 1103 . 16 1 1 A 100 100 ASP N N 109 115.779 119.255 -3.476 1
1 1104 . 16 1 1 A 101 101 THR H H 110 7.546 7.589 -0.043 1
1 1105 . 16 1 1 A 101 101 THR HA H 110 4.675 4.147 0.528 1
1 1110 . 16 1 1 A 101 101 THR CA C 110 61.895 63.643 -1.748 1
1 1111 . 16 1 1 A 101 101 THR CB C 110 70.432 69.540 0.892 1
1 1113 . 16 1 1 A 101 101 THR N N 110 129.087 109.781 19.306 1
1 1114 . 16 1 1 A 102 102 GLY H H 111 8.921 8.152 0.769 1
1 1115 . 16 1 1 A 102 102 GLY HA2 H 111 4.337 3.778 0.559 1
1 1116 . 16 1 1 A 102 102 GLY HA3 H 111 3.563 3.782 -0.219 1
1 1117 . 16 1 1 A 102 102 GLY CA C 111 44.062 45.119 -1.057 1
1 1118 . 16 1 1 A 102 102 GLY N N 111 112.780 110.828 1.952 1
1 1119 . 16 1 1 A 103 103 TYR H H 112 8.255 7.948 0.307 1
1 1120 . 16 1 1 A 103 103 TYR HA H 112 4.574 5.530 -0.956 1
1 1127 . 16 1 1 A 103 103 TYR CA C 112 59.745 56.515 3.230 1
1 1128 . 16 1 1 A 103 103 TYR CB C 112 38.295 41.952 -3.657 1
1 1131 . 16 1 1 A 103 103 TYR N N 112 117.653 118.619 -0.966 1
1 1132 . 16 1 1 A 104 104 GLN H H 113 9.435 9.157 0.278 1
1 1133 . 16 1 1 A 104 104 GLN HA H 113 4.659 5.042 -0.383 1
1 1140 . 16 1 1 A 104 104 GLN CA C 113 53.852 54.999 -1.147 1
1 1141 . 16 1 1 A 104 104 GLN CB C 113 31.128 32.445 -1.317 1
1 1143 . 16 1 1 A 104 104 GLN N N 113 121.964 122.689 -0.725 1
1 1145 . 16 1 1 A 105 105 ARG H H 114 8.670 9.065 -0.395 1
1 1146 . 16 1 1 A 105 105 ARG HA H 114 4.838 5.297 -0.459 1
1 1151 . 16 1 1 A 105 105 ARG CA C 114 55.090 54.776 0.314 1
1 1152 . 16 1 1 A 105 105 ARG CB C 114 31.401 31.721 -0.320 1
1 1155 . 16 1 1 A 105 105 ARG N N 114 122.246 123.303 -1.057 1
1 1156 . 16 1 1 A 106 106 LEU H H 115 9.269 8.665 0.604 1
1 1157 . 16 1 1 A 106 106 LEU HA H 115 4.843 4.734 0.109 1
1 1163 . 16 1 1 A 106 106 LEU CA C 115 53.317 53.774 -0.457 1
1 1164 . 16 1 1 A 106 106 LEU CB C 115 44.570 43.011 1.559 1
1 1166 . 16 1 1 A 106 106 LEU N N 115 126.088 126.046 0.042 1
1 1167 . 16 1 1 A 107 107 ASP H H 116 8.582 8.741 -0.159 1
1 1168 . 16 1 1 A 107 107 ASP HA H 116 4.748 4.844 -0.096 1
1 1171 . 16 1 1 A 107 107 ASP CA C 116 55.402 54.189 1.213 1
1 1172 . 16 1 1 A 107 107 ASP CB C 116 41.280 41.314 -0.034 1
1 1173 . 16 1 1 A 107 107 ASP N N 116 122.714 124.610 -1.896 1
1 1174 . 16 1 1 A 108 108 LEU H H 117 8.067 8.453 -0.386 1
1 1175 . 16 1 1 A 108 108 LEU HA H 117 4.195 4.582 -0.387 1
1 1185 . 16 1 1 A 108 108 LEU CA C 117 55.308 54.472 0.836 1
1 1186 . 16 1 1 A 108 108 LEU CB C 117 42.871 40.552 2.319 1
1 1190 . 16 1 1 A 108 108 LEU N N 117 121.121 125.141 -4.020 1
1 1191 . 16 1 1 A 109 109 CYS H H 118 9.705 8.520 1.185 1
1 1192 . 16 1 1 A 109 109 CYS HA H 118 4.839 5.158 -0.319 1
1 1195 . 16 1 1 A 109 109 CYS CA C 118 57.979 56.546 1.433 1
1 1196 . 16 1 1 A 109 109 CYS CB C 118 31.953 30.832 1.121 1
1 1197 . 16 1 1 A 109 109 CYS N N 118 118.403 122.799 -4.396 1
1 1198 . 16 1 1 A 110 110 LYS H H 119 8.419 8.270 0.149 1
1 1199 . 16 1 1 A 110 110 LYS HA H 119 4.426 4.378 0.048 1
1 1207 . 16 1 1 A 110 110 LYS CA C 119 56.957 56.738 0.219 1
1 1208 . 16 1 1 A 110 110 LYS CB C 119 34.386 32.927 1.459 1
1 1212 . 16 1 1 A 110 110 LYS N N 119 120.090 118.963 1.127 1
1 1213 . 16 1 1 A 111 111 LEU H H 120 9.016 7.701 1.315 1
1 1214 . 16 1 1 A 111 111 LEU HA H 120 4.054 4.037 0.017 1
1 1223 . 16 1 1 A 111 111 LEU CA C 120 57.694 57.783 -0.089 1
1 1224 . 16 1 1 A 111 111 LEU CB C 120 43.062 42.157 0.905 1
1 1227 . 16 1 1 A 111 111 LEU N N 120 123.089 122.029 1.060 1
1 1228 . 16 1 1 A 112 112 GLY H H 121 7.578 7.353 0.225 1
1 1229 . 16 1 1 A 112 112 GLY HA2 H 121 4.320 3.951 0.369 1
1 1230 . 16 1 1 A 112 112 GLY HA3 H 121 3.863 3.970 -0.107 1
1 1231 . 16 1 1 A 112 112 GLY CA C 121 44.644 44.999 -0.355 1
1 1232 . 16 1 1 A 112 112 GLY N N 121 105.939 106.069 -0.130 1
1 1233 . 16 1 1 A 113 113 PRO HA H 122 4.365 4.252 0.113 1
1 1240 . 16 1 1 A 113 113 PRO CA C 122 64.692 63.403 1.289 1
1 1241 . 16 1 1 A 113 113 PRO CB C 122 32.663 32.149 0.514 1
1 1244 . 16 1 1 A 114 114 ASN H H 123 8.603 8.760 -0.157 1
1 1245 . 16 1 1 A 114 114 ASN HA H 123 4.899 4.215 0.684 1
1 1250 . 16 1 1 A 114 114 ASN CA C 123 52.944 54.572 -1.628 1
1 1251 . 16 1 1 A 114 114 ASN CB C 123 39.041 37.504 1.537 1
1 1252 . 16 1 1 A 114 114 ASN N N 123 115.591 115.302 0.289 1
1 1254 . 16 1 1 A 115 115 ASP H H 124 7.507 7.649 -0.142 1
1 1255 . 16 1 1 A 115 115 ASP HA H 124 4.507 4.771 -0.264 1
1 1258 . 16 1 1 A 115 115 ASP CA C 124 54.843 52.667 2.176 1
1 1259 . 16 1 1 A 115 115 ASP CB C 124 41.620 42.269 -0.649 1
1 1260 . 16 1 1 A 115 115 ASP N N 124 121.215 118.105 3.110 1
1 1261 . 16 1 1 A 116 116 ASN H H 125 8.741 8.729 0.012 1
1 1262 . 16 1 1 A 116 116 ASN HA H 125 4.823 4.212 0.611 1
1 1267 . 16 1 1 A 116 116 ASN CA C 125 53.447 54.018 -0.571 1
1 1268 . 16 1 1 A 116 116 ASN CB C 125 43.830 36.881 6.949 1
1 1269 . 16 1 1 A 116 116 ASN N N 125 120.137 121.512 -1.375 1
1 1271 . 16 1 1 A 117 117 ASP H H 126 8.039 8.419 -0.380 1
1 1272 . 16 1 1 A 117 117 ASP HA H 126 4.745 4.671 0.074 1
1 1274 . 16 1 1 A 117 117 ASP CA C 126 54.436 53.730 0.706 1
1 1275 . 16 1 1 A 117 117 ASP CB C 126 42.046 39.959 2.087 1
1 1276 . 16 1 1 A 117 117 ASP N N 126 120.746 117.901 2.845 1
1 1277 . 16 1 1 A 118 118 THR H H 127 8.361 7.661 0.700 1
1 1278 . 16 1 1 A 118 118 THR HA H 127 4.331 4.709 -0.378 1
1 1283 . 16 1 1 A 118 118 THR CA C 127 62.454 60.341 2.113 1
1 1284 . 16 1 1 A 118 118 THR CB C 127 70.191 68.677 1.514 1
1 1286 . 16 1 1 A 118 118 THR N N 127 116.903 110.963 5.940 1
1 1287 . 16 1 1 A 119 119 VAL H H 128 8.152 7.778 0.374 1
1 1288 . 16 1 1 A 119 119 VAL HA H 128 4.172 5.074 -0.902 1
1 1296 . 16 1 1 A 119 119 VAL CA C 128 61.051 59.420 1.631 1
1 1297 . 16 1 1 A 119 119 VAL CB C 128 35.124 35.628 -0.504 1
1 1300 . 16 1 1 A 119 119 VAL N N 128 119.903 118.579 1.324 1
1 1301 . 16 1 1 A 120 120 ARG H H 129 7.884 8.754 -0.870 1
1 1302 . 16 1 1 A 120 120 ARG HA H 129 4.719 4.562 0.157 1
1 1307 . 16 1 1 A 120 120 ARG CA C 129 55.555 55.695 -0.140 1
1 1308 . 16 1 1 A 120 120 ARG CB C 129 34.945 32.529 2.416 1
1 1311 . 16 1 1 A 120 120 ARG N N 129 122.621 121.996 0.625 1
1 1312 . 16 1 1 A 121 121 GLY H H 130 8.289 7.681 0.608 1
1 1313 . 16 1 1 A 121 121 GLY HA2 H 130 4.605 4.035 0.570 1
1 1314 . 16 1 1 A 121 121 GLY HA3 H 130 3.803 4.045 -0.242 1
1 1315 . 16 1 1 A 121 121 GLY CA C 130 45.756 44.745 1.011 1
1 1316 . 16 1 1 A 121 121 GLY N N 130 107.626 109.045 -1.419 1
1 1317 . 16 1 1 A 122 122 GLN H H 131 8.408 8.750 -0.342 1
1 1318 . 16 1 1 A 122 122 GLN HA H 131 5.434 5.212 0.222 1
1 1323 . 16 1 1 A 122 122 GLN CA C 131 54.809 54.065 0.744 1
1 1324 . 16 1 1 A 122 122 GLN CB C 131 34.756 33.267 1.489 1
1 1326 . 16 1 1 A 122 122 GLN N N 131 114.654 118.605 -3.951 1
1 1328 . 16 1 1 A 123 123 ILE H H 132 9.273 8.832 0.441 1
1 1329 . 16 1 1 A 123 123 ILE HA H 132 5.207 4.836 0.371 1
1 1339 . 16 1 1 A 123 123 ILE CA C 132 59.284 59.621 -0.337 1
1 1340 . 16 1 1 A 123 123 ILE CB C 132 44.085 42.036 2.049 1
1 1344 . 16 1 1 A 123 123 ILE N N 132 118.216 121.236 -3.020 1
1 1345 . 16 1 1 A 124 124 VAL H H 133 8.750 9.209 -0.459 1
1 1346 . 16 1 1 A 124 124 VAL HA H 133 5.338 4.785 0.553 1
1 1354 . 16 1 1 A 124 124 VAL CA C 133 61.611 61.371 0.240 1
1 1355 . 16 1 1 A 124 124 VAL CB C 133 32.620 33.055 -0.435 1
1 1358 . 16 1 1 A 124 124 VAL N N 133 126.088 128.591 -2.503 1
1 1359 . 16 1 1 A 125 125 VAL H H 134 8.698 9.442 -0.744 1
1 1360 . 16 1 1 A 125 125 VAL HA H 134 5.859 5.570 0.289 1
1 1368 . 16 1 1 A 125 125 VAL CA C 134 57.880 59.168 -1.288 1
1 1369 . 16 1 1 A 125 125 VAL CB C 134 36.990 36.612 0.378 1
1 1372 . 16 1 1 A 125 125 VAL N N 134 117.895 121.433 -3.538 1
1 1373 . 16 1 1 A 126 126 SER H H 135 8.746 8.728 0.018 1
1 1374 . 16 1 1 A 126 126 SER HA H 135 4.881 5.315 -0.434 1
1 1377 . 16 1 1 A 126 126 SER CA C 135 56.860 56.818 0.042 1
1 1378 . 16 1 1 A 126 126 SER CB C 135 66.695 65.795 0.900 1
1 1379 . 16 1 1 A 126 126 SER N N 135 112.967 115.337 -2.370 1
1 1380 . 16 1 1 A 127 127 LEU H H 136 9.710 8.976 0.734 1
1 1381 . 16 1 1 A 127 127 LEU HA H 136 5.244 4.992 0.252 1
1 1390 . 16 1 1 A 127 127 LEU CA C 136 54.436 53.630 0.806 1
1 1391 . 16 1 1 A 127 127 LEU CB C 136 46.137 42.250 3.887 1
1 1395 . 16 1 1 A 127 127 LEU N N 136 125.760 126.608 -0.848 1
1 1396 . 16 1 1 A 128 128 GLN H H 137 9.256 8.284 0.972 1
1 1397 . 16 1 1 A 128 128 GLN HA H 137 5.128 5.778 -0.650 1
1 1404 . 16 1 1 A 128 128 GLN CA C 137 54.063 54.393 -0.330 1
1 1405 . 16 1 1 A 128 128 GLN CB C 137 34.063 32.472 1.591 1
1 1407 . 16 1 1 A 128 128 GLN N N 137 125.526 125.297 0.229 1
1 1409 . 16 1 1 A 129 129 SER H H 138 8.222 8.630 -0.408 1
1 1410 . 16 1 1 A 129 129 SER HA H 138 4.476 4.458 0.018 1
1 1413 . 16 1 1 A 129 129 SER CA C 138 60.814 58.037 2.777 1
1 1414 . 16 1 1 A 129 129 SER CB C 138 63.116 63.808 -0.692 1
1 1415 . 16 1 1 A 129 129 SER N N 138 125.620 118.799 6.821 1
1 1416 . 16 1 1 A 130 130 ARG H H 139 8.032 9.034 -1.002 1
1 1417 . 16 1 1 A 130 130 ARG HA H 139 4.601 4.141 0.460 1
1 1424 . 16 1 1 A 130 130 ARG CA C 139 53.934 56.456 -2.522 1
1 1425 . 16 1 1 A 130 130 ARG CB C 139 32.334 30.712 1.622 1
1 1428 . 16 1 1 A 130 130 ARG N N 139 123.136 124.583 -1.447 1
1 6 . 17 1 1 A 2 2 PRO HA H 11 4.498 4.903 -0.405 1
1 11 . 17 1 1 A 2 2 PRO CA C 11 63.103 62.931 0.172 1
1 12 . 17 1 1 A 2 2 PRO CB C 11 32.993 32.706 0.287 1
1 15 . 17 1 1 A 3 3 VAL H H 12 8.356 8.380 -0.024 1
1 16 . 17 1 1 A 3 3 VAL HA H 12 4.370 4.897 -0.527 1
1 24 . 17 1 1 A 3 3 VAL CA C 12 60.982 59.218 1.764 1
1 25 . 17 1 1 A 3 3 VAL CB C 12 34.005 34.646 -0.641 1
1 28 . 17 1 1 A 3 3 VAL N N 12 119.528 115.384 4.144 1
1 29 . 17 1 1 A 4 4 LYS H H 13 8.542 8.770 -0.228 1
1 30 . 17 1 1 A 4 4 LYS HA H 13 4.752 4.853 -0.101 1
1 38 . 17 1 1 A 4 4 LYS CA C 13 55.339 55.813 -0.474 1
1 39 . 17 1 1 A 4 4 LYS CB C 13 33.640 33.322 0.318 1
1 43 . 17 1 1 A 4 4 LYS N N 13 125.901 124.846 1.055 1
1 44 . 17 1 1 A 5 5 LEU H H 14 8.887 8.886 0.001 1
1 45 . 17 1 1 A 5 5 LEU HA H 14 4.927 5.060 -0.133 1
1 51 . 17 1 1 A 5 5 LEU CA C 14 52.944 53.470 -0.526 1
1 52 . 17 1 1 A 5 5 LEU CB C 14 47.069 44.105 2.964 1
1 54 . 17 1 1 A 5 5 LEU N N 14 126.276 128.488 -2.212 1
1 55 . 17 1 1 A 6 6 ARG H H 15 9.361 8.640 0.721 1
1 56 . 17 1 1 A 6 6 ARG HA H 15 5.205 5.151 0.054 1
1 61 . 17 1 1 A 6 6 ARG CA C 15 55.064 54.864 0.200 1
1 62 . 17 1 1 A 6 6 ARG CB C 15 31.979 31.906 0.073 1
1 64 . 17 1 1 A 6 6 ARG N N 15 123.745 126.541 -2.796 1
1 65 . 17 1 1 A 7 7 LEU H H 16 9.694 8.896 0.798 1
1 66 . 17 1 1 A 7 7 LEU HA H 16 5.437 4.934 0.503 1
1 73 . 17 1 1 A 7 7 LEU CA C 16 53.777 53.611 0.166 1
1 74 . 17 1 1 A 7 7 LEU CB C 16 45.577 43.832 1.745 1
1 77 . 17 1 1 A 7 7 LEU N N 16 111.467 128.668 -17.201 1
1 78 . 17 1 1 A 8 8 THR H H 17 9.470 9.078 0.392 1
1 79 . 17 1 1 A 8 8 THR HA H 17 4.904 4.904 0.000 1
1 84 . 17 1 1 A 8 8 THR CA C 17 62.827 62.240 0.587 1
1 85 . 17 1 1 A 8 8 THR CB C 17 69.540 69.230 0.310 1
1 87 . 17 1 1 A 8 8 THR N N 17 124.589 124.173 0.416 1
1 88 . 17 1 1 A 9 9 VAL H H 18 9.339 9.100 0.239 1
1 89 . 17 1 1 A 9 9 VAL HA H 18 4.374 4.125 0.249 1
1 97 . 17 1 1 A 9 9 VAL CA C 18 61.708 63.006 -1.298 1
1 98 . 17 1 1 A 9 9 VAL CB C 18 31.021 30.633 0.388 1
1 101 . 17 1 1 A 9 9 VAL N N 18 127.963 127.961 0.002 1
1 102 . 17 1 1 A 10 10 LEU H H 19 8.957 8.553 0.404 1
1 103 . 17 1 1 A 10 10 LEU HA H 19 4.334 4.252 0.082 1
1 113 . 17 1 1 A 10 10 LEU CA C 19 59.232 57.630 1.602 1
1 114 . 17 1 1 A 10 10 LEU CB C 19 43.525 42.841 0.684 1
1 118 . 17 1 1 A 10 10 LEU N N 19 127.775 129.687 -1.912 1
1 119 . 17 1 1 A 11 11 CYS H H 20 8.038 7.581 0.457 1
1 120 . 17 1 1 A 11 11 CYS HA H 20 5.152 4.591 0.561 1
1 123 . 17 1 1 A 11 11 CYS CA C 20 55.928 57.285 -1.357 1
1 124 . 17 1 1 A 11 11 CYS CB C 20 30.655 30.229 0.426 1
1 125 . 17 1 1 A 11 11 CYS N N 20 109.968 113.582 -3.614 1
1 126 . 17 1 1 A 12 12 ALA H H 21 8.485 8.559 -0.074 1
1 127 . 17 1 1 A 12 12 ALA HA H 21 5.397 5.452 -0.055 1
1 131 . 17 1 1 A 12 12 ALA CA C 21 50.707 50.554 0.153 1
1 132 . 17 1 1 A 12 12 ALA CB C 21 22.550 23.087 -0.537 1
1 133 . 17 1 1 A 12 12 ALA N N 21 119.247 123.720 -4.473 1
1 134 . 17 1 1 A 13 13 LYS H H 22 8.905 8.717 0.188 1
1 135 . 17 1 1 A 13 13 LYS HA H 22 5.144 4.742 0.402 1
1 141 . 17 1 1 A 13 13 LYS CA C 22 54.063 54.652 -0.589 1
1 142 . 17 1 1 A 13 13 LYS CB C 22 37.217 36.032 1.185 1
1 146 . 17 1 1 A 13 13 LYS N N 22 117.934 119.258 -1.324 1
1 147 . 17 1 1 A 14 14 ASN H H 23 9.099 8.973 0.126 1
1 148 . 17 1 1 A 14 14 ASN HA H 23 4.187 4.295 -0.108 1
1 153 . 17 1 1 A 14 14 ASN CA C 23 53.735 53.738 -0.003 1
1 154 . 17 1 1 A 14 14 ASN CB C 23 37.736 37.022 0.714 1
1 155 . 17 1 1 A 14 14 ASN N N 23 118.684 119.503 -0.819 1
1 157 . 17 1 1 A 15 15 LEU H H 24 8.294 7.662 0.632 1
1 158 . 17 1 1 A 15 15 LEU HA H 24 5.161 4.257 0.904 1
1 165 . 17 1 1 A 15 15 LEU CA C 24 55.261 54.879 0.382 1
1 166 . 17 1 1 A 15 15 LEU CB C 24 42.966 41.569 1.397 1
1 169 . 17 1 1 A 15 15 LEU N N 24 114.373 120.171 -5.798 1
1 170 . 17 1 1 A 16 16 VAL H H 25 8.533 8.507 0.026 1
1 171 . 17 1 1 A 16 16 VAL HA H 25 3.635 3.935 -0.300 1
1 179 . 17 1 1 A 16 16 VAL CA C 25 62.318 63.237 -0.919 1
1 180 . 17 1 1 A 16 16 VAL CB C 25 33.064 32.246 0.818 1
1 183 . 17 1 1 A 16 16 VAL N N 25 119.200 125.384 -6.184 1
1 184 . 17 1 1 A 17 17 LYS H H 26 7.950 8.485 -0.535 1
1 185 . 17 1 1 A 17 17 LYS HA H 26 4.302 3.991 0.311 1
1 192 . 17 1 1 A 17 17 LYS CA C 26 54.150 58.280 -4.130 1
1 193 . 17 1 1 A 17 17 LYS CB C 26 33.826 32.167 1.659 1
1 197 . 17 1 1 A 17 17 LYS N N 26 128.056 126.448 1.608 1
1 198 . 17 1 1 A 18 18 LYS H H 27 8.549 7.811 0.738 1
1 199 . 17 1 1 A 18 18 LYS HA H 27 4.078 3.824 0.254 1
1 207 . 17 1 1 A 18 18 LYS CA C 27 58.626 58.679 -0.053 1
1 208 . 17 1 1 A 18 18 LYS CB C 27 33.826 31.035 2.791 1
1 211 . 17 1 1 A 18 18 LYS N N 27 125.760 114.955 10.805 1
1 212 . 17 1 1 A 19 19 ASP H H 28 8.438 8.147 0.291 1
1 213 . 17 1 1 A 19 19 ASP HA H 28 4.801 4.818 -0.017 1
1 216 . 17 1 1 A 19 19 ASP CA C 28 52.964 53.357 -0.393 1
1 217 . 17 1 1 A 19 19 ASP CB C 28 43.518 42.818 0.700 1
1 218 . 17 1 1 A 19 19 ASP N N 28 119.247 119.008 0.239 1
1 219 . 17 1 1 A 20 20 PHE H H 29 8.506 8.864 -0.358 1
1 220 . 17 1 1 A 20 20 PHE HA H 29 4.049 3.984 0.065 1
1 227 . 17 1 1 A 20 20 PHE CA C 29 60.767 60.697 0.070 1
1 228 . 17 1 1 A 20 20 PHE CB C 29 39.305 39.119 0.186 1
1 231 . 17 1 1 A 20 20 PHE N N 29 122.011 124.501 -2.490 1
1 232 . 17 1 1 A 21 21 PHE H H 30 8.350 8.525 -0.175 1
1 233 . 17 1 1 A 21 21 PHE HA H 30 4.677 4.694 -0.017 1
1 240 . 17 1 1 A 21 21 PHE CA C 30 57.789 59.361 -1.572 1
1 241 . 17 1 1 A 21 21 PHE CB C 30 40.824 38.235 2.589 1
1 244 . 17 1 1 A 21 21 PHE N N 30 113.764 116.101 -2.337 1
1 245 . 17 1 1 A 22 22 ARG H H 31 7.631 7.645 -0.014 1
1 246 . 17 1 1 A 22 22 ARG HA H 31 4.614 4.951 -0.337 1
1 252 . 17 1 1 A 22 22 ARG CA C 31 55.325 54.554 0.771 1
1 253 . 17 1 1 A 22 22 ARG CB C 31 33.640 34.399 -0.759 1
1 256 . 17 1 1 A 22 22 ARG N N 31 118.778 118.111 0.667 1
1 257 . 17 1 1 A 23 23 LEU H H 32 8.699 8.982 -0.283 1
1 258 . 17 1 1 A 23 23 LEU HA H 32 4.509 4.882 -0.373 1
1 268 . 17 1 1 A 23 23 LEU CA C 32 52.758 51.036 1.722 1
1 269 . 17 1 1 A 23 23 LEU CB C 32 42.593 45.477 -2.884 1
1 273 . 17 1 1 A 23 23 LEU N N 32 123.464 121.846 1.618 1
1 274 . 17 1 1 A 24 24 PRO HA H 33 4.648 5.185 -0.537 1
1 281 . 17 1 1 A 24 24 PRO CA C 33 62.753 62.193 0.560 1
1 282 . 17 1 1 A 24 24 PRO CB C 33 33.965 32.543 1.422 1
1 285 . 17 1 1 A 25 25 ASP H H 34 7.463 8.695 -1.232 1
1 286 . 17 1 1 A 25 25 ASP HA H 34 6.052 5.980 0.072 1
1 289 . 17 1 1 A 25 25 ASP CA C 34 51.080 51.827 -0.747 1
1 290 . 17 1 1 A 25 25 ASP CB C 34 42.779 41.715 1.064 1
1 291 . 17 1 1 A 25 25 ASP N N 34 117.091 121.584 -4.493 1
1 292 . 17 1 1 A 26 26 PRO HA H 35 5.968 5.017 0.951 1
1 299 . 17 1 1 A 26 26 PRO CA C 35 62.827 62.978 -0.151 1
1 300 . 17 1 1 A 26 26 PRO CB C 35 35.132 32.806 2.326 1
1 303 . 17 1 1 A 27 27 PHE H H 36 9.284 8.735 0.549 1
1 304 . 17 1 1 A 27 27 PHE HA H 36 5.009 5.147 -0.138 1
1 312 . 17 1 1 A 27 27 PHE CA C 36 56.301 56.136 0.165 1
1 313 . 17 1 1 A 27 27 PHE CB C 36 42.689 41.487 1.202 1
1 317 . 17 1 1 A 27 27 PHE N N 36 120.090 118.700 1.390 1
1 318 . 17 1 1 A 28 28 ALA H H 37 8.408 8.482 -0.074 1
1 319 . 17 1 1 A 28 28 ALA HA H 37 5.481 5.208 0.273 1
1 323 . 17 1 1 A 28 28 ALA CA C 37 49.186 49.656 -0.470 1
1 324 . 17 1 1 A 28 28 ALA CB C 37 20.389 22.605 -2.216 1
1 325 . 17 1 1 A 28 28 ALA N N 37 122.433 122.062 0.371 1
1 326 . 17 1 1 A 29 29 LYS H H 38 9.617 8.853 0.764 1
1 327 . 17 1 1 A 29 29 LYS HA H 38 5.267 5.566 -0.299 1
1 335 . 17 1 1 A 29 29 LYS CA C 38 54.901 54.934 -0.033 1
1 336 . 17 1 1 A 29 29 LYS CB C 38 36.624 35.694 0.930 1
1 340 . 17 1 1 A 29 29 LYS N N 38 121.964 119.614 2.350 1
1 341 . 17 1 1 A 30 30 VAL H H 39 9.159 8.815 0.344 1
1 342 . 17 1 1 A 30 30 VAL HA H 39 4.494 4.970 -0.476 1
1 350 . 17 1 1 A 30 30 VAL CA C 39 61.335 60.109 1.226 1
1 351 . 17 1 1 A 30 30 VAL CB C 39 34.954 34.264 0.690 1
1 354 . 17 1 1 A 30 30 VAL N N 39 124.497 125.154 -0.657 1
1 355 . 17 1 1 A 31 31 VAL H H 40 8.659 8.826 -0.167 1
1 356 . 17 1 1 A 31 31 VAL HA H 40 5.091 4.863 0.228 1
1 364 . 17 1 1 A 31 31 VAL CA C 40 59.898 59.336 0.562 1
1 365 . 17 1 1 A 31 31 VAL CB C 40 36.959 35.643 1.316 1
1 368 . 17 1 1 A 31 31 VAL N N 40 124.589 122.188 2.401 1
1 369 . 17 1 1 A 32 32 VAL H H 41 7.786 8.273 -0.487 1
1 370 . 17 1 1 A 32 32 VAL HA H 41 4.660 4.519 0.141 1
1 378 . 17 1 1 A 32 32 VAL CA C 41 62.268 61.172 1.096 1
1 379 . 17 1 1 A 32 32 VAL CB C 41 30.995 31.200 -0.205 1
1 382 . 17 1 1 A 32 32 VAL N N 41 125.385 124.604 0.781 1
1 383 . 17 1 1 A 33 33 ASP H H 42 8.568 8.794 -0.226 1
1 384 . 17 1 1 A 33 33 ASP HA H 42 4.310 4.500 -0.190 1
1 386 . 17 1 1 A 33 33 ASP CA C 42 57.321 55.627 1.694 1
1 387 . 17 1 1 A 33 33 ASP CB C 42 40.727 40.208 0.519 1
1 388 . 17 1 1 A 33 33 ASP N N 42 130.868 128.758 2.110 1
1 389 . 17 1 1 A 34 34 GLY HA2 H 43 4.230 4.044 0.186 1
1 390 . 17 1 1 A 34 34 GLY HA3 H 43 3.818 4.048 -0.230 1
1 391 . 17 1 1 A 34 34 GLY CA C 43 46.510 44.983 1.527 1
1 392 . 17 1 1 A 35 35 SER H H 44 8.049 8.173 -0.124 1
1 393 . 17 1 1 A 35 35 SER HA H 44 4.928 4.365 0.563 1
1 396 . 17 1 1 A 35 35 SER CA C 44 58.067 60.614 -2.547 1
1 397 . 17 1 1 A 35 35 SER CB C 44 67.393 61.957 5.436 1
1 398 . 17 1 1 A 35 35 SER N N 44 115.029 113.367 1.662 1
1 399 . 17 1 1 A 36 36 GLY H H 45 8.637 8.745 -0.108 1
1 400 . 17 1 1 A 36 36 GLY HA2 H 45 4.338 3.984 0.354 1
1 401 . 17 1 1 A 36 36 GLY HA3 H 45 3.884 3.999 -0.115 1
1 402 . 17 1 1 A 36 36 GLY CA C 45 46.137 45.236 0.901 1
1 403 . 17 1 1 A 36 36 GLY N N 45 109.265 111.679 -2.414 1
1 404 . 17 1 1 A 37 37 GLN H H 46 8.329 7.966 0.363 1
1 405 . 17 1 1 A 37 37 GLN HA H 46 4.339 4.664 -0.325 1
1 412 . 17 1 1 A 37 37 GLN CA C 46 56.002 54.700 1.302 1
1 413 . 17 1 1 A 37 37 GLN CB C 46 30.241 30.915 -0.674 1
1 415 . 17 1 1 A 37 37 GLN N N 46 120.699 119.680 1.019 1
1 417 . 17 1 1 A 38 38 CYS H H 47 7.787 8.892 -1.105 1
1 418 . 17 1 1 A 38 38 CYS HA H 47 5.257 5.333 -0.076 1
1 420 . 17 1 1 A 38 38 CYS CA C 47 56.761 56.878 -0.117 1
1 421 . 17 1 1 A 38 38 CYS CB C 47 29.250 30.445 -1.195 1
1 422 . 17 1 1 A 38 38 CYS N N 47 124.214 124.727 -0.513 1
1 423 . 17 1 1 A 39 39 HIS H H 48 8.906 8.347 0.559 1
1 424 . 17 1 1 A 39 39 HIS HA H 48 4.730 5.146 -0.416 1
1 428 . 17 1 1 A 39 39 HIS CA C 48 54.888 53.998 0.890 1
1 429 . 17 1 1 A 39 39 HIS CB C 48 34.688 34.023 0.665 1
1 431 . 17 1 1 A 39 39 HIS N N 48 125.807 123.781 2.026 1
1 432 . 17 1 1 A 40 40 SER H H 49 8.728 8.804 -0.076 1
1 433 . 17 1 1 A 40 40 SER HA H 49 5.732 5.590 0.142 1
1 436 . 17 1 1 A 40 40 SER CA C 49 57.041 57.370 -0.329 1
1 437 . 17 1 1 A 40 40 SER CB C 49 66.274 66.294 -0.020 1
1 438 . 17 1 1 A 40 40 SER N N 49 116.034 114.523 1.511 1
1 439 . 17 1 1 A 41 41 THR H H 50 9.212 8.954 0.258 1
1 440 . 17 1 1 A 41 41 THR HA H 50 4.477 5.048 -0.571 1
1 445 . 17 1 1 A 41 41 THR CA C 50 61.457 59.479 1.978 1
1 446 . 17 1 1 A 41 41 THR CB C 50 72.337 70.992 1.345 1
1 448 . 17 1 1 A 41 41 THR N N 50 115.404 112.780 2.624 1
1 449 . 17 1 1 A 42 42 ASP H H 51 9.424 8.587 0.837 1
1 450 . 17 1 1 A 42 42 ASP HA H 51 4.676 4.645 0.031 1
1 453 . 17 1 1 A 42 42 ASP CA C 51 54.996 54.306 0.690 1
1 454 . 17 1 1 A 42 42 ASP CB C 51 41.543 41.989 -0.446 1
1 455 . 17 1 1 A 42 42 ASP N N 51 119.340 122.728 -3.388 1
1 456 . 17 1 1 A 43 43 THR H H 52 8.650 8.543 0.107 1
1 457 . 17 1 1 A 43 43 THR HA H 52 4.858 5.079 -0.221 1
1 462 . 17 1 1 A 43 43 THR CA C 52 62.637 62.169 0.468 1
1 463 . 17 1 1 A 43 43 THR CB C 52 70.191 70.422 -0.231 1
1 465 . 17 1 1 A 43 43 THR N N 52 117.836 119.621 -1.785 1
1 466 . 17 1 1 A 44 44 VAL H H 53 8.266 9.120 -0.854 1
1 467 . 17 1 1 A 44 44 VAL HA H 53 4.363 4.527 -0.164 1
1 475 . 17 1 1 A 44 44 VAL CA C 53 61.086 61.165 -0.079 1
1 476 . 17 1 1 A 44 44 VAL CB C 53 33.361 32.893 0.468 1
1 479 . 17 1 1 A 44 44 VAL N N 53 127.775 127.188 0.587 1
1 480 . 17 1 1 A 45 45 LYS H H 54 8.163 8.659 -0.496 1
1 481 . 17 1 1 A 45 45 LYS HA H 54 4.229 4.556 -0.327 1
1 487 . 17 1 1 A 45 45 LYS CA C 54 56.627 57.162 -0.535 1
1 488 . 17 1 1 A 45 45 LYS CB C 54 33.739 32.480 1.259 1
1 492 . 17 1 1 A 45 45 LYS N N 54 120.934 127.605 -6.671 1
1 493 . 17 1 1 A 46 46 ASN H H 55 9.642 8.627 1.015 1
1 494 . 17 1 1 A 46 46 ASN HA H 55 4.150 4.689 -0.539 1
1 499 . 17 1 1 A 46 46 ASN CA C 55 54.029 53.814 0.215 1
1 500 . 17 1 1 A 46 46 ASN CB C 55 38.668 36.515 2.153 1
1 501 . 17 1 1 A 46 46 ASN N N 55 121.215 121.669 -0.454 1
1 503 . 17 1 1 A 47 47 THR H H 56 8.246 8.173 0.073 1
1 504 . 17 1 1 A 47 47 THR HA H 56 4.661 4.829 -0.168 1
1 509 . 17 1 1 A 47 47 THR CA C 56 60.963 60.327 0.636 1
1 510 . 17 1 1 A 47 47 THR CB C 56 68.512 69.712 -1.200 1
1 512 . 17 1 1 A 47 47 THR N N 56 111.936 116.889 -4.953 1
1 513 . 17 1 1 A 48 48 LEU H H 57 8.245 8.507 -0.262 1
1 514 . 17 1 1 A 48 48 LEU HA H 57 4.410 4.680 -0.270 1
1 524 . 17 1 1 A 48 48 LEU CA C 57 53.641 54.046 -0.405 1
1 525 . 17 1 1 A 48 48 LEU CB C 57 41.570 42.486 -0.916 1
1 529 . 17 1 1 A 48 48 LEU N N 57 122.433 124.644 -2.211 1
1 530 . 17 1 1 A 49 49 ASP H H 58 8.544 7.814 0.730 1
1 531 . 17 1 1 A 49 49 ASP HA H 58 5.419 4.968 0.451 1
1 534 . 17 1 1 A 49 49 ASP CA C 58 51.826 51.829 -0.003 1
1 535 . 17 1 1 A 49 49 ASP CB C 58 44.085 40.942 3.143 1
1 536 . 17 1 1 A 49 49 ASP N N 58 116.903 119.366 -2.463 1
1 537 . 17 1 1 A 50 50 PRO HA H 59 3.790 4.456 -0.666 1
1 543 . 17 1 1 A 50 50 PRO CA C 59 63.219 62.044 1.175 1
1 544 . 17 1 1 A 50 50 PRO CB C 59 32.661 32.915 -0.254 1
1 547 . 17 1 1 A 51 51 LYS H H 60 7.806 7.889 -0.083 1
1 548 . 17 1 1 A 51 51 LYS HA H 60 4.224 4.621 -0.397 1
1 555 . 17 1 1 A 51 51 LYS CA C 60 55.521 55.010 0.511 1
1 556 . 17 1 1 A 51 51 LYS CB C 60 33.826 35.669 -1.843 1
1 560 . 17 1 1 A 51 51 LYS N N 60 119.996 116.648 3.348 1
1 561 . 17 1 1 A 52 52 TRP H H 61 7.791 8.319 -0.528 1
1 562 . 17 1 1 A 52 52 TRP HA H 61 4.824 4.847 -0.023 1
1 570 . 17 1 1 A 52 52 TRP CA C 61 60.590 57.861 2.729 1
1 571 . 17 1 1 A 52 52 TRP CB C 61 29.715 31.261 -1.546 1
1 576 . 17 1 1 A 52 52 TRP N N 61 122.386 120.667 1.719 1
1 578 . 17 1 1 A 53 53 ASN H H 62 9.040 8.134 0.906 1
1 579 . 17 1 1 A 53 53 ASN HA H 62 4.419 4.363 0.056 1
1 584 . 17 1 1 A 53 53 ASN CA C 62 53.789 54.326 -0.537 1
1 585 . 17 1 1 A 53 53 ASN CB C 62 37.922 37.600 0.322 1
1 586 . 17 1 1 A 53 53 ASN N N 62 117.185 118.468 -1.283 1
1 588 . 17 1 1 A 54 54 GLN H H 63 7.512 7.252 0.260 1
1 589 . 17 1 1 A 54 54 GLN HA H 63 4.584 4.737 -0.153 1
1 596 . 17 1 1 A 54 54 GLN CA C 63 55.008 54.319 0.689 1
1 597 . 17 1 1 A 54 54 GLN CB C 63 34.938 31.362 3.576 1
1 599 . 17 1 1 A 54 54 GLN N N 63 116.341 117.942 -1.601 1
1 601 . 17 1 1 A 55 55 HIS H H 64 7.782 8.098 -0.316 1
1 602 . 17 1 1 A 55 55 HIS HA H 64 5.796 5.956 -0.160 1
1 606 . 17 1 1 A 55 55 HIS CA C 64 53.059 53.070 -0.011 1
1 607 . 17 1 1 A 55 55 HIS CB C 64 34.378 33.130 1.248 1
1 609 . 17 1 1 A 55 55 HIS N N 64 118.403 117.777 0.626 1
1 610 . 17 1 1 A 56 56 TYR H H 65 8.657 8.674 -0.017 1
1 611 . 17 1 1 A 56 56 TYR HA H 65 4.404 4.861 -0.457 1
1 618 . 17 1 1 A 56 56 TYR CA C 65 57.430 56.276 1.154 1
1 619 . 17 1 1 A 56 56 TYR CB C 65 42.958 41.709 1.249 1
1 622 . 17 1 1 A 56 56 TYR N N 65 116.435 118.004 -1.569 1
1 623 . 17 1 1 A 57 57 ASP H H 66 8.772 8.452 0.320 1
1 624 . 17 1 1 A 57 57 ASP HA H 66 5.283 5.150 0.133 1
1 627 . 17 1 1 A 57 57 ASP CA C 66 54.250 53.113 1.137 1
1 628 . 17 1 1 A 57 57 ASP CB C 66 40.914 40.606 0.308 1
1 629 . 17 1 1 A 57 57 ASP N N 66 124.776 123.650 1.126 1
1 630 . 17 1 1 A 58 58 LEU H H 67 9.175 8.324 0.851 1
1 631 . 17 1 1 A 58 58 LEU HA H 67 4.589 4.666 -0.077 1
1 641 . 17 1 1 A 58 58 LEU CA C 67 53.131 53.560 -0.429 1
1 642 . 17 1 1 A 58 58 LEU CB C 67 45.060 42.031 3.029 1
1 645 . 17 1 1 A 58 58 LEU N N 67 124.558 124.975 -0.417 1
1 646 . 17 1 1 A 59 59 TYR H H 68 8.877 8.722 0.155 1
1 647 . 17 1 1 A 59 59 TYR HA H 68 5.096 5.649 -0.553 1
1 654 . 17 1 1 A 59 59 TYR CA C 68 57.606 56.411 1.195 1
1 655 . 17 1 1 A 59 59 TYR CB C 68 39.422 42.211 -2.789 1
1 658 . 17 1 1 A 59 59 TYR N N 68 121.215 116.972 4.243 1
1 659 . 17 1 1 A 60 60 ILE H H 69 9.162 9.306 -0.144 1
1 660 . 17 1 1 A 60 60 ILE HA H 69 4.551 4.661 -0.110 1
1 670 . 17 1 1 A 60 60 ILE CA C 69 59.471 59.942 -0.471 1
1 671 . 17 1 1 A 60 60 ILE CB C 69 40.500 39.630 0.870 1
1 675 . 17 1 1 A 60 60 ILE N N 69 124.823 123.251 1.572 1
1 676 . 17 1 1 A 61 61 GLY H H 70 9.960 8.833 1.127 1
1 677 . 17 1 1 A 61 61 GLY HA2 H 70 4.517 4.124 0.393 1
1 678 . 17 1 1 A 61 61 GLY HA3 H 70 3.881 4.128 -0.247 1
1 679 . 17 1 1 A 61 61 GLY CA C 70 44.083 44.502 -0.419 1
1 680 . 17 1 1 A 61 61 GLY N N 70 117.841 115.096 2.745 1
1 681 . 17 1 1 A 62 62 LYS H H 71 8.605 8.861 -0.256 1
1 682 . 17 1 1 A 62 62 LYS HA H 71 4.090 3.886 0.204 1
1 687 . 17 1 1 A 62 62 LYS CA C 71 59.447 59.275 0.172 1
1 688 . 17 1 1 A 62 62 LYS CB C 71 33.453 32.388 1.065 1
1 692 . 17 1 1 A 62 62 LYS N N 71 119.434 119.999 -0.565 1
1 693 . 17 1 1 A 63 63 SER H H 72 8.544 8.051 0.493 1
1 694 . 17 1 1 A 63 63 SER HA H 72 4.811 4.645 0.166 1
1 696 . 17 1 1 A 63 63 SER CA C 72 57.606 56.709 0.897 1
1 697 . 17 1 1 A 63 63 SER CB C 72 64.013 63.156 0.857 1
1 698 . 17 1 1 A 63 63 SER N N 72 111.842 113.998 -2.156 1
1 699 . 17 1 1 A 64 64 ASP H H 73 7.247 9.024 -1.777 1
1 700 . 17 1 1 A 64 64 ASP HA H 73 4.867 5.582 -0.715 1
1 702 . 17 1 1 A 64 64 ASP CA C 73 55.500 52.585 2.915 1
1 703 . 17 1 1 A 64 64 ASP CB C 73 43.331 44.761 -1.430 1
1 704 . 17 1 1 A 64 64 ASP N N 73 121.964 127.049 -5.085 1
1 705 . 17 1 1 A 65 65 SER H H 74 8.742 8.832 -0.090 1
1 706 . 17 1 1 A 65 65 SER HA H 74 5.074 5.330 -0.256 1
1 708 . 17 1 1 A 65 65 SER CA C 74 56.301 56.973 -0.672 1
1 709 . 17 1 1 A 65 65 SER CB C 74 67.579 66.023 1.556 1
1 710 . 17 1 1 A 65 65 SER N N 74 111.936 115.510 -3.574 1
1 711 . 17 1 1 A 66 66 VAL H H 75 8.622 8.423 0.199 1
1 712 . 17 1 1 A 66 66 VAL HA H 75 5.095 4.984 0.111 1
1 720 . 17 1 1 A 66 66 VAL CA C 75 60.217 60.549 -0.332 1
1 721 . 17 1 1 A 66 66 VAL CB C 75 36.617 35.092 1.525 1
1 724 . 17 1 1 A 66 66 VAL N N 75 119.422 122.153 -2.731 1
1 725 . 17 1 1 A 67 67 THR H H 76 9.152 8.736 0.416 1
1 726 . 17 1 1 A 67 67 THR HA H 76 5.199 5.007 0.192 1
1 731 . 17 1 1 A 67 67 THR CA C 76 63.014 61.996 1.018 1
1 732 . 17 1 1 A 67 67 THR CB C 76 69.703 71.256 -1.553 1
1 734 . 17 1 1 A 67 67 THR N N 76 123.839 122.293 1.546 1
1 735 . 17 1 1 A 68 68 ILE H H 77 9.106 9.137 -0.031 1
1 736 . 17 1 1 A 68 68 ILE HA H 77 5.389 4.897 0.492 1
1 746 . 17 1 1 A 68 68 ILE CA C 77 59.844 60.620 -0.776 1
1 747 . 17 1 1 A 68 68 ILE CB C 77 40.347 38.674 1.673 1
1 751 . 17 1 1 A 68 68 ILE N N 77 129.275 129.672 -0.397 1
1 752 . 17 1 1 A 69 69 SER H H 78 9.645 9.178 0.467 1
1 753 . 17 1 1 A 69 69 SER HA H 78 5.265 5.501 -0.236 1
1 756 . 17 1 1 A 69 69 SER CA C 78 56.114 56.500 -0.386 1
1 757 . 17 1 1 A 69 69 SER CB C 78 66.087 65.120 0.967 1
1 758 . 17 1 1 A 69 69 SER N N 78 120.559 122.088 -1.529 1
1 759 . 17 1 1 A 70 70 VAL H H 79 8.482 8.815 -0.333 1
1 760 . 17 1 1 A 70 70 VAL HA H 79 4.676 4.445 0.231 1
1 768 . 17 1 1 A 70 70 VAL CA C 79 60.852 61.292 -0.440 1
1 769 . 17 1 1 A 70 70 VAL CB C 79 32.992 32.514 0.478 1
1 772 . 17 1 1 A 70 70 VAL N N 79 121.777 124.909 -3.132 1
1 773 . 17 1 1 A 71 71 TRP H H 80 8.627 8.524 0.103 1
1 774 . 17 1 1 A 71 71 TRP HA H 80 4.930 5.141 -0.211 1
1 783 . 17 1 1 A 71 71 TRP CA C 80 55.182 54.900 0.282 1
1 784 . 17 1 1 A 71 71 TRP CB C 80 34.058 31.796 2.262 1
1 790 . 17 1 1 A 71 71 TRP N N 80 124.474 127.396 -2.922 1
1 792 . 17 1 1 A 72 72 ASN H H 81 9.891 8.815 1.076 1
1 793 . 17 1 1 A 72 72 ASN HA H 81 4.789 4.947 -0.158 1
1 798 . 17 1 1 A 72 72 ASN CA C 81 51.049 51.819 -0.770 1
1 799 . 17 1 1 A 72 72 ASN CB C 81 39.091 38.274 0.817 1
1 800 . 17 1 1 A 72 72 ASN N N 81 116.435 122.545 -6.110 1
1 802 . 17 1 1 A 73 73 HIS H H 82 9.967 9.255 0.712 1
1 803 . 17 1 1 A 73 73 HIS HA H 82 4.499 4.415 0.084 1
1 806 . 17 1 1 A 73 73 HIS CA C 82 60.788 60.698 0.090 1
1 807 . 17 1 1 A 73 73 HIS CB C 82 32.327 30.809 1.518 1
1 808 . 17 1 1 A 73 73 HIS N N 82 127.963 126.352 1.611 1
1 809 . 17 1 1 A 74 74 LYS H H 83 7.764 8.306 -0.542 1
1 810 . 17 1 1 A 74 74 LYS HA H 83 4.297 3.934 0.363 1
1 817 . 17 1 1 A 74 74 LYS CA C 83 59.232 60.144 -0.912 1
1 818 . 17 1 1 A 74 74 LYS CB C 83 33.640 32.382 1.258 1
1 822 . 17 1 1 A 74 74 LYS N N 83 112.592 118.093 -5.501 1
1 823 . 17 1 1 A 75 75 LYS H H 84 7.626 7.731 -0.105 1
1 824 . 17 1 1 A 75 75 LYS HA H 84 4.607 4.218 0.389 1
1 832 . 17 1 1 A 75 75 LYS CA C 84 55.828 58.997 -3.169 1
1 833 . 17 1 1 A 75 75 LYS CB C 84 36.064 32.112 3.952 1
1 837 . 17 1 1 A 75 75 LYS N N 84 114.560 118.054 -3.494 1
1 838 . 17 1 1 A 76 76 ILE H H 85 7.021 8.142 -1.121 1
1 839 . 17 1 1 A 76 76 ILE HA H 85 4.132 4.090 0.042 1
1 849 . 17 1 1 A 76 76 ILE CA C 85 64.013 64.434 -0.421 1
1 850 . 17 1 1 A 76 76 ILE CB C 85 39.146 37.652 1.494 1
1 854 . 17 1 1 A 76 76 ILE N N 85 113.811 117.285 -3.474 1
1 855 . 17 1 1 A 77 77 HIS H H 86 8.335 7.296 1.039 1
1 856 . 17 1 1 A 77 77 HIS HA H 86 4.612 4.359 0.253 1
1 859 . 17 1 1 A 77 77 HIS CA C 86 56.815 59.828 -3.013 1
1 860 . 17 1 1 A 77 77 HIS CB C 86 30.461 30.055 0.406 1
1 862 . 17 1 1 A 77 77 HIS N N 86 117.841 120.633 -2.792 1
1 863 . 17 1 1 A 78 78 LYS H H 87 7.587 7.854 -0.267 1
1 864 . 17 1 1 A 78 78 LYS HA H 87 4.094 3.917 0.177 1
1 870 . 17 1 1 A 78 78 LYS CA C 87 57.628 60.048 -2.420 1
1 871 . 17 1 1 A 78 78 LYS CB C 87 32.893 32.830 0.063 1
1 875 . 17 1 1 A 78 78 LYS N N 87 120.652 121.166 -0.514 1
1 876 . 17 1 1 A 79 79 LYS H H 88 7.585 7.705 -0.120 1
1 877 . 17 1 1 A 79 79 LYS HA H 88 4.304 4.245 0.059 1
1 883 . 17 1 1 A 79 79 LYS CA C 88 56.467 58.696 -2.229 1
1 884 . 17 1 1 A 79 79 LYS CB C 88 34.013 31.456 2.557 1
1 888 . 17 1 1 A 79 79 LYS N N 88 115.872 118.183 -2.311 1
1 889 . 17 1 1 A 80 80 GLN H H 89 8.625 9.097 -0.472 1
1 890 . 17 1 1 A 80 80 GLN HA H 89 4.192 4.036 0.156 1
1 893 . 17 1 1 A 80 80 GLN CA C 89 57.590 56.949 0.641 1
1 894 . 17 1 1 A 80 80 GLN CB C 89 28.331 27.170 1.161 1
1 896 . 17 1 1 A 80 80 GLN N N 89 121.308 117.888 3.420 1
1 897 . 17 1 1 A 81 81 GLY H H 90 8.791 8.483 0.308 1
1 898 . 17 1 1 A 81 81 GLY HA2 H 90 4.332 3.897 0.435 1
1 899 . 17 1 1 A 81 81 GLY HA3 H 90 3.850 3.921 -0.071 1
1 900 . 17 1 1 A 81 81 GLY CA C 90 45.950 45.153 0.797 1
1 901 . 17 1 1 A 81 81 GLY N N 90 112.984 104.809 8.175 1
1 902 . 17 1 1 A 82 82 ALA H H 91 7.951 7.633 0.318 1
1 903 . 17 1 1 A 82 82 ALA HA H 91 4.485 4.166 0.319 1
1 907 . 17 1 1 A 82 82 ALA CA C 91 53.404 53.494 -0.090 1
1 908 . 17 1 1 A 82 82 ALA CB C 91 20.762 18.773 1.989 1
1 909 . 17 1 1 A 82 82 ALA N N 91 123.745 123.696 0.049 1
1 910 . 17 1 1 A 83 83 GLY H H 92 8.860 8.925 -0.065 1
1 911 . 17 1 1 A 83 83 GLY HA2 H 92 4.270 4.191 0.079 1
1 912 . 17 1 1 A 83 83 GLY HA3 H 92 4.262 4.270 -0.008 1
1 913 . 17 1 1 A 83 83 GLY CA C 92 46.689 45.279 1.410 1
1 914 . 17 1 1 A 83 83 GLY N N 92 105.564 111.310 -5.746 1
1 915 . 17 1 1 A 84 84 PHE H H 93 8.113 8.002 0.111 1
1 916 . 17 1 1 A 84 84 PHE HA H 93 3.440 4.423 -0.983 1
1 924 . 17 1 1 A 84 84 PHE CA C 93 59.932 57.283 2.649 1
1 925 . 17 1 1 A 84 84 PHE CB C 93 39.141 41.023 -1.882 1
1 929 . 17 1 1 A 84 84 PHE N N 93 121.215 120.628 0.587 1
1 930 . 17 1 1 A 85 85 LEU H H 94 8.204 7.098 1.106 1
1 931 . 17 1 1 A 85 85 LEU HA H 94 4.334 4.234 0.100 1
1 938 . 17 1 1 A 85 85 LEU CA C 94 53.569 55.174 -1.605 1
1 939 . 17 1 1 A 85 85 LEU CB C 94 43.255 43.584 -0.329 1
1 942 . 17 1 1 A 85 85 LEU N N 94 125.432 124.908 0.524 1
1 943 . 17 1 1 A 86 86 GLY HA2 H 95 4.222 3.761 0.461 1
1 944 . 17 1 1 A 86 86 GLY HA3 H 95 3.147 3.819 -0.672 1
1 945 . 17 1 1 A 86 86 GLY CA C 95 45.570 45.573 -0.003 1
1 946 . 17 1 1 A 87 87 CYS H H 96 9.230 9.045 0.185 1
1 947 . 17 1 1 A 87 87 CYS HA H 96 5.838 5.474 0.364 1
1 949 . 17 1 1 A 87 87 CYS CA C 96 55.882 57.439 -1.557 1
1 950 . 17 1 1 A 87 87 CYS CB C 96 33.259 29.595 3.664 1
1 951 . 17 1 1 A 87 87 CYS N N 96 114.935 120.872 -5.937 1
1 952 . 17 1 1 A 88 88 VAL H H 97 9.242 9.220 0.022 1
1 953 . 17 1 1 A 88 88 VAL HA H 97 4.575 4.839 -0.264 1
1 961 . 17 1 1 A 88 88 VAL CA C 97 61.769 60.251 1.518 1
1 962 . 17 1 1 A 88 88 VAL CB C 97 35.684 34.068 1.616 1
1 965 . 17 1 1 A 88 88 VAL N N 97 115.966 124.489 -8.523 1
1 966 . 17 1 1 A 89 89 ARG H H 98 8.665 9.218 -0.553 1
1 967 . 17 1 1 A 89 89 ARG HA H 98 5.166 5.146 0.020 1
1 973 . 17 1 1 A 89 89 ARG CA C 98 54.929 54.444 0.485 1
1 974 . 17 1 1 A 89 89 ARG CB C 98 31.961 33.742 -1.781 1
1 977 . 17 1 1 A 89 89 ARG N N 98 125.526 129.992 -4.466 1
1 978 . 17 1 1 A 90 90 LEU H H 99 9.611 8.514 1.097 1
1 979 . 17 1 1 A 90 90 LEU HA H 99 4.644 5.068 -0.424 1
1 989 . 17 1 1 A 90 90 LEU CA C 99 53.217 53.622 -0.405 1
1 990 . 17 1 1 A 90 90 LEU CB C 99 43.339 45.602 -2.263 1
1 994 . 17 1 1 A 90 90 LEU N N 99 127.119 126.103 1.016 1
1 995 . 17 1 1 A 91 91 LEU H H 100 7.953 8.550 -0.597 1
1 996 . 17 1 1 A 91 91 LEU HA H 100 4.540 4.675 -0.135 1
1 1005 . 17 1 1 A 91 91 LEU CA C 100 54.523 53.967 0.556 1
1 1006 . 17 1 1 A 91 91 LEU CB C 100 42.593 42.464 0.129 1
1 1010 . 17 1 1 A 91 91 LEU N N 100 122.527 125.096 -2.569 1
1 1011 . 17 1 1 A 92 92 SER H H 101 8.754 8.869 -0.115 1
1 1012 . 17 1 1 A 92 92 SER HA H 101 3.950 4.131 -0.181 1
1 1013 . 17 1 1 A 92 92 SER CA C 101 63.171 61.493 1.678 1
1 1014 . 17 1 1 A 92 92 SER N N 101 115.966 117.423 -1.457 1
1 1015 . 17 1 1 A 93 93 ASN H H 102 7.765 8.267 -0.502 1
1 1016 . 17 1 1 A 93 93 ASN HA H 102 4.500 4.472 0.028 1
1 1020 . 17 1 1 A 93 93 ASN CA C 102 56.487 56.214 0.273 1
1 1021 . 17 1 1 A 93 93 ASN CB C 102 37.514 38.138 -0.624 1
1 1022 . 17 1 1 A 93 93 ASN N N 102 116.950 120.063 -3.113 1
1 1024 . 17 1 1 A 94 94 ALA H H 103 7.345 7.910 -0.565 1
1 1025 . 17 1 1 A 94 94 ALA HA H 103 4.230 4.091 0.139 1
1 1029 . 17 1 1 A 94 94 ALA CA C 103 54.843 55.203 -0.360 1
1 1030 . 17 1 1 A 94 94 ALA CB C 103 19.643 18.049 1.594 1
1 1031 . 17 1 1 A 94 94 ALA N N 103 124.495 121.940 2.555 1
1 1032 . 17 1 1 A 95 95 ILE H H 104 8.322 8.264 0.058 1
1 1033 . 17 1 1 A 95 95 ILE HA H 104 3.280 3.672 -0.392 1
1 1043 . 17 1 1 A 95 95 ILE CA C 104 66.184 63.925 2.259 1
1 1044 . 17 1 1 A 95 95 ILE CB C 104 37.922 36.900 1.022 1
1 1048 . 17 1 1 A 95 95 ILE N N 104 119.310 119.017 0.293 1
1 1049 . 17 1 1 A 96 96 ASN H H 105 7.815 8.219 -0.404 1
1 1050 . 17 1 1 A 96 96 ASN HA H 105 4.332 4.367 -0.035 1
1 1052 . 17 1 1 A 96 96 ASN CA C 105 56.487 56.687 -0.200 1
1 1053 . 17 1 1 A 96 96 ASN CB C 105 38.855 39.330 -0.475 1
1 1054 . 17 1 1 A 96 96 ASN N N 105 114.748 120.497 -5.749 1
1 1055 . 17 1 1 A 97 97 ARG H H 106 7.595 7.591 0.004 1
1 1056 . 17 1 1 A 97 97 ARG HA H 106 4.257 4.016 0.241 1
1 1061 . 17 1 1 A 97 97 ARG CA C 106 58.294 59.023 -0.729 1
1 1062 . 17 1 1 A 97 97 ARG CB C 106 31.401 29.827 1.574 1
1 1065 . 17 1 1 A 97 97 ARG N N 106 117.934 118.583 -0.649 1
1 1066 . 17 1 1 A 98 98 LEU H H 107 8.179 8.025 0.154 1
1 1067 . 17 1 1 A 98 98 LEU HA H 107 4.288 4.006 0.282 1
1 1077 . 17 1 1 A 98 98 LEU CA C 107 55.735 58.009 -2.274 1
1 1078 . 17 1 1 A 98 98 LEU CB C 107 44.264 41.117 3.147 1
1 1082 . 17 1 1 A 98 98 LEU N N 107 116.341 118.722 -2.381 1
1 1083 . 17 1 1 A 99 99 LYS H H 108 8.058 8.802 -0.744 1
1 1084 . 17 1 1 A 99 99 LYS HA H 108 4.078 4.037 0.041 1
1 1091 . 17 1 1 A 99 99 LYS CA C 108 58.256 58.974 -0.718 1
1 1092 . 17 1 1 A 99 99 LYS CB C 108 32.520 32.001 0.519 1
1 1096 . 17 1 1 A 99 99 LYS N N 108 123.558 120.783 2.775 1
1 1097 . 17 1 1 A 100 100 ASP H H 109 9.305 7.595 1.710 1
1 1098 . 17 1 1 A 100 100 ASP HA H 109 4.672 4.480 0.192 1
1 1101 . 17 1 1 A 100 100 ASP CA C 109 57.047 56.527 0.520 1
1 1102 . 17 1 1 A 100 100 ASP CB C 109 39.041 40.648 -1.607 1
1 1103 . 17 1 1 A 100 100 ASP N N 109 115.779 119.514 -3.735 1
1 1104 . 17 1 1 A 101 101 THR H H 110 7.546 7.538 0.008 1
1 1105 . 17 1 1 A 101 101 THR HA H 110 4.675 4.122 0.553 1
1 1110 . 17 1 1 A 101 101 THR CA C 110 61.895 63.718 -1.823 1
1 1111 . 17 1 1 A 101 101 THR CB C 110 70.432 69.635 0.797 1
1 1113 . 17 1 1 A 101 101 THR N N 110 129.087 109.803 19.284 1
1 1114 . 17 1 1 A 102 102 GLY H H 111 8.921 8.139 0.782 1
1 1115 . 17 1 1 A 102 102 GLY HA2 H 111 4.337 3.738 0.599 1
1 1116 . 17 1 1 A 102 102 GLY HA3 H 111 3.563 3.748 -0.185 1
1 1117 . 17 1 1 A 102 102 GLY CA C 111 44.062 45.211 -1.149 1
1 1118 . 17 1 1 A 102 102 GLY N N 111 112.780 110.811 1.969 1
1 1119 . 17 1 1 A 103 103 TYR H H 112 8.255 7.796 0.459 1
1 1120 . 17 1 1 A 103 103 TYR HA H 112 4.574 5.452 -0.878 1
1 1127 . 17 1 1 A 103 103 TYR CA C 112 59.745 56.467 3.278 1
1 1128 . 17 1 1 A 103 103 TYR CB C 112 38.295 42.681 -4.386 1
1 1131 . 17 1 1 A 103 103 TYR N N 112 117.653 118.344 -0.691 1
1 1132 . 17 1 1 A 104 104 GLN H H 113 9.435 9.157 0.278 1
1 1133 . 17 1 1 A 104 104 GLN HA H 113 4.659 5.020 -0.361 1
1 1140 . 17 1 1 A 104 104 GLN CA C 113 53.852 55.112 -1.260 1
1 1141 . 17 1 1 A 104 104 GLN CB C 113 31.128 32.415 -1.287 1
1 1143 . 17 1 1 A 104 104 GLN N N 113 121.964 122.620 -0.656 1
1 1145 . 17 1 1 A 105 105 ARG H H 114 8.670 8.861 -0.191 1
1 1146 . 17 1 1 A 105 105 ARG HA H 114 4.838 4.899 -0.061 1
1 1151 . 17 1 1 A 105 105 ARG CA C 114 55.090 55.046 0.044 1
1 1152 . 17 1 1 A 105 105 ARG CB C 114 31.401 30.627 0.774 1
1 1155 . 17 1 1 A 105 105 ARG N N 114 122.246 123.756 -1.510 1
1 1156 . 17 1 1 A 106 106 LEU H H 115 9.269 8.814 0.455 1
1 1157 . 17 1 1 A 106 106 LEU HA H 115 4.843 4.849 -0.006 1
1 1163 . 17 1 1 A 106 106 LEU CA C 115 53.317 53.723 -0.406 1
1 1164 . 17 1 1 A 106 106 LEU CB C 115 44.570 42.748 1.822 1
1 1166 . 17 1 1 A 106 106 LEU N N 115 126.088 126.486 -0.398 1
1 1167 . 17 1 1 A 107 107 ASP H H 116 8.582 8.730 -0.148 1
1 1168 . 17 1 1 A 107 107 ASP HA H 116 4.748 4.684 0.064 1
1 1171 . 17 1 1 A 107 107 ASP CA C 116 55.402 54.492 0.910 1
1 1172 . 17 1 1 A 107 107 ASP CB C 116 41.280 41.414 -0.134 1
1 1173 . 17 1 1 A 107 107 ASP N N 116 122.714 125.415 -2.701 1
1 1174 . 17 1 1 A 108 108 LEU H H 117 8.067 8.648 -0.581 1
1 1175 . 17 1 1 A 108 108 LEU HA H 117 4.195 4.579 -0.384 1
1 1185 . 17 1 1 A 108 108 LEU CA C 117 55.308 54.436 0.872 1
1 1186 . 17 1 1 A 108 108 LEU CB C 117 42.871 40.773 2.098 1
1 1190 . 17 1 1 A 108 108 LEU N N 117 121.121 124.503 -3.382 1
1 1191 . 17 1 1 A 109 109 CYS H H 118 9.705 8.717 0.988 1
1 1192 . 17 1 1 A 109 109 CYS HA H 118 4.839 5.240 -0.401 1
1 1195 . 17 1 1 A 109 109 CYS CA C 118 57.979 57.660 0.319 1
1 1196 . 17 1 1 A 109 109 CYS CB C 118 31.953 32.895 -0.942 1
1 1197 . 17 1 1 A 109 109 CYS N N 118 118.403 123.116 -4.713 1
1 1198 . 17 1 1 A 110 110 LYS H H 119 8.419 8.427 -0.008 1
1 1199 . 17 1 1 A 110 110 LYS HA H 119 4.426 4.497 -0.071 1
1 1207 . 17 1 1 A 110 110 LYS CA C 119 56.957 56.410 0.547 1
1 1208 . 17 1 1 A 110 110 LYS CB C 119 34.386 33.109 1.277 1
1 1212 . 17 1 1 A 110 110 LYS N N 119 120.090 121.142 -1.052 1
1 1213 . 17 1 1 A 111 111 LEU H H 120 9.016 8.295 0.721 1
1 1214 . 17 1 1 A 111 111 LEU HA H 120 4.054 3.959 0.095 1
1 1223 . 17 1 1 A 111 111 LEU CA C 120 57.694 57.003 0.691 1
1 1224 . 17 1 1 A 111 111 LEU CB C 120 43.062 42.101 0.961 1
1 1227 . 17 1 1 A 111 111 LEU N N 120 123.089 121.083 2.006 1
1 1228 . 17 1 1 A 112 112 GLY H H 121 7.578 7.272 0.306 1
1 1229 . 17 1 1 A 112 112 GLY HA2 H 121 4.320 3.988 0.332 1
1 1230 . 17 1 1 A 112 112 GLY HA3 H 121 3.863 3.998 -0.135 1
1 1231 . 17 1 1 A 112 112 GLY CA C 121 44.644 45.123 -0.479 1
1 1232 . 17 1 1 A 112 112 GLY N N 121 105.939 103.858 2.081 1
1 1233 . 17 1 1 A 113 113 PRO HA H 122 4.365 4.302 0.063 1
1 1240 . 17 1 1 A 113 113 PRO CA C 122 64.692 65.391 -0.699 1
1 1241 . 17 1 1 A 113 113 PRO CB C 122 32.663 31.642 1.021 1
1 1244 . 17 1 1 A 114 114 ASN H H 123 8.603 8.670 -0.067 1
1 1245 . 17 1 1 A 114 114 ASN HA H 123 4.899 4.802 0.097 1
1 1250 . 17 1 1 A 114 114 ASN CA C 123 52.944 53.025 -0.081 1
1 1251 . 17 1 1 A 114 114 ASN CB C 123 39.041 39.330 -0.289 1
1 1252 . 17 1 1 A 114 114 ASN N N 123 115.591 114.850 0.741 1
1 1254 . 17 1 1 A 115 115 ASP H H 124 7.507 7.540 -0.033 1
1 1255 . 17 1 1 A 115 115 ASP HA H 124 4.507 4.868 -0.361 1
1 1258 . 17 1 1 A 115 115 ASP CA C 124 54.843 52.547 2.296 1
1 1259 . 17 1 1 A 115 115 ASP CB C 124 41.620 41.083 0.537 1
1 1260 . 17 1 1 A 115 115 ASP N N 124 121.215 120.766 0.449 1
1 1261 . 17 1 1 A 116 116 ASN H H 125 8.741 8.038 0.703 1
1 1262 . 17 1 1 A 116 116 ASN HA H 125 4.823 4.367 0.456 1
1 1267 . 17 1 1 A 116 116 ASN CA C 125 53.447 53.695 -0.248 1
1 1268 . 17 1 1 A 116 116 ASN CB C 125 43.830 37.068 6.762 1
1 1269 . 17 1 1 A 116 116 ASN N N 125 120.137 116.862 3.275 1
1 1271 . 17 1 1 A 117 117 ASP H H 126 8.039 8.552 -0.513 1
1 1272 . 17 1 1 A 117 117 ASP HA H 126 4.745 4.824 -0.079 1
1 1274 . 17 1 1 A 117 117 ASP CA C 126 54.436 53.758 0.678 1
1 1275 . 17 1 1 A 117 117 ASP CB C 126 42.046 39.975 2.071 1
1 1276 . 17 1 1 A 117 117 ASP N N 126 120.746 119.350 1.396 1
1 1277 . 17 1 1 A 118 118 THR H H 127 8.361 7.686 0.675 1
1 1278 . 17 1 1 A 118 118 THR HA H 127 4.331 4.657 -0.326 1
1 1283 . 17 1 1 A 118 118 THR CA C 127 62.454 60.256 2.198 1
1 1284 . 17 1 1 A 118 118 THR CB C 127 70.191 68.612 1.579 1
1 1286 . 17 1 1 A 118 118 THR N N 127 116.903 112.298 4.605 1
1 1287 . 17 1 1 A 119 119 VAL H H 128 8.152 7.725 0.427 1
1 1288 . 17 1 1 A 119 119 VAL HA H 128 4.172 4.996 -0.824 1
1 1296 . 17 1 1 A 119 119 VAL CA C 128 61.051 59.521 1.530 1
1 1297 . 17 1 1 A 119 119 VAL CB C 128 35.124 35.559 -0.435 1
1 1300 . 17 1 1 A 119 119 VAL N N 128 119.903 118.975 0.928 1
1 1301 . 17 1 1 A 120 120 ARG H H 129 7.884 8.678 -0.794 1
1 1302 . 17 1 1 A 120 120 ARG HA H 129 4.719 4.550 0.169 1
1 1307 . 17 1 1 A 120 120 ARG CA C 129 55.555 55.641 -0.086 1
1 1308 . 17 1 1 A 120 120 ARG CB C 129 34.945 32.205 2.740 1
1 1311 . 17 1 1 A 120 120 ARG N N 129 122.621 121.884 0.737 1
1 1312 . 17 1 1 A 121 121 GLY H H 130 8.289 7.656 0.633 1
1 1313 . 17 1 1 A 121 121 GLY HA2 H 130 4.605 4.009 0.596 1
1 1314 . 17 1 1 A 121 121 GLY HA3 H 130 3.803 4.018 -0.215 1
1 1315 . 17 1 1 A 121 121 GLY CA C 130 45.756 44.545 1.211 1
1 1316 . 17 1 1 A 121 121 GLY N N 130 107.626 109.250 -1.624 1
1 1317 . 17 1 1 A 122 122 GLN H H 131 8.408 8.724 -0.316 1
1 1318 . 17 1 1 A 122 122 GLN HA H 131 5.434 5.207 0.227 1
1 1323 . 17 1 1 A 122 122 GLN CA C 131 54.809 54.120 0.689 1
1 1324 . 17 1 1 A 122 122 GLN CB C 131 34.756 33.327 1.429 1
1 1326 . 17 1 1 A 122 122 GLN N N 131 114.654 118.652 -3.998 1
1 1328 . 17 1 1 A 123 123 ILE H H 132 9.273 8.535 0.738 1
1 1329 . 17 1 1 A 123 123 ILE HA H 132 5.207 4.668 0.539 1
1 1339 . 17 1 1 A 123 123 ILE CA C 132 59.284 60.096 -0.812 1
1 1340 . 17 1 1 A 123 123 ILE CB C 132 44.085 41.541 2.544 1
1 1344 . 17 1 1 A 123 123 ILE N N 132 118.216 121.012 -2.796 1
1 1345 . 17 1 1 A 124 124 VAL H H 133 8.750 9.209 -0.459 1
1 1346 . 17 1 1 A 124 124 VAL HA H 133 5.338 4.730 0.608 1
1 1354 . 17 1 1 A 124 124 VAL CA C 133 61.611 61.504 0.107 1
1 1355 . 17 1 1 A 124 124 VAL CB C 133 32.620 32.829 -0.209 1
1 1358 . 17 1 1 A 124 124 VAL N N 133 126.088 129.075 -2.987 1
1 1359 . 17 1 1 A 125 125 VAL H H 134 8.698 9.379 -0.681 1
1 1360 . 17 1 1 A 125 125 VAL HA H 134 5.859 5.630 0.229 1
1 1368 . 17 1 1 A 125 125 VAL CA C 134 57.880 59.086 -1.206 1
1 1369 . 17 1 1 A 125 125 VAL CB C 134 36.990 36.522 0.468 1
1 1372 . 17 1 1 A 125 125 VAL N N 134 117.895 121.371 -3.476 1
1 1373 . 17 1 1 A 126 126 SER H H 135 8.746 8.856 -0.110 1
1 1374 . 17 1 1 A 126 126 SER HA H 135 4.881 5.388 -0.507 1
1 1377 . 17 1 1 A 126 126 SER CA C 135 56.860 56.877 -0.017 1
1 1378 . 17 1 1 A 126 126 SER CB C 135 66.695 65.825 0.870 1
1 1379 . 17 1 1 A 126 126 SER N N 135 112.967 115.694 -2.727 1
1 1380 . 17 1 1 A 127 127 LEU H H 136 9.710 9.008 0.702 1
1 1381 . 17 1 1 A 127 127 LEU HA H 136 5.244 4.966 0.278 1
1 1390 . 17 1 1 A 127 127 LEU CA C 136 54.436 53.422 1.014 1
1 1391 . 17 1 1 A 127 127 LEU CB C 136 46.137 42.438 3.699 1
1 1395 . 17 1 1 A 127 127 LEU N N 136 125.760 127.058 -1.298 1
1 1396 . 17 1 1 A 128 128 GLN H H 137 9.256 8.358 0.898 1
1 1397 . 17 1 1 A 128 128 GLN HA H 137 5.128 5.673 -0.545 1
1 1404 . 17 1 1 A 128 128 GLN CA C 137 54.063 54.667 -0.604 1
1 1405 . 17 1 1 A 128 128 GLN CB C 137 34.063 32.401 1.662 1
1 1407 . 17 1 1 A 128 128 GLN N N 137 125.526 125.564 -0.038 1
1 1409 . 17 1 1 A 129 129 SER H H 138 8.222 8.593 -0.371 1
1 1410 . 17 1 1 A 129 129 SER HA H 138 4.476 4.475 0.001 1
1 1413 . 17 1 1 A 129 129 SER CA C 138 60.814 58.004 2.810 1
1 1414 . 17 1 1 A 129 129 SER CB C 138 63.116 63.887 -0.771 1
1 1415 . 17 1 1 A 129 129 SER N N 138 125.620 118.859 6.761 1
1 1416 . 17 1 1 A 130 130 ARG H H 139 8.032 8.820 -0.788 1
1 1417 . 17 1 1 A 130 130 ARG HA H 139 4.601 4.470 0.131 1
1 1424 . 17 1 1 A 130 130 ARG CA C 139 53.934 55.018 -1.084 1
1 1425 . 17 1 1 A 130 130 ARG CB C 139 32.334 31.598 0.736 1
1 1428 . 17 1 1 A 130 130 ARG N N 139 123.136 123.732 -0.596 1
1 6 . 18 1 1 A 2 2 PRO HA H 11 4.498 4.735 -0.237 1
1 11 . 18 1 1 A 2 2 PRO CA C 11 63.103 62.979 0.124 1
1 12 . 18 1 1 A 2 2 PRO CB C 11 32.993 32.625 0.368 1
1 15 . 18 1 1 A 3 3 VAL H H 12 8.356 8.088 0.268 1
1 16 . 18 1 1 A 3 3 VAL HA H 12 4.370 4.825 -0.455 1
1 24 . 18 1 1 A 3 3 VAL CA C 12 60.982 59.263 1.719 1
1 25 . 18 1 1 A 3 3 VAL CB C 12 34.005 34.388 -0.383 1
1 28 . 18 1 1 A 3 3 VAL N N 12 119.528 115.620 3.908 1
1 29 . 18 1 1 A 4 4 LYS H H 13 8.542 8.823 -0.281 1
1 30 . 18 1 1 A 4 4 LYS HA H 13 4.752 4.557 0.195 1
1 38 . 18 1 1 A 4 4 LYS CA C 13 55.339 55.740 -0.401 1
1 39 . 18 1 1 A 4 4 LYS CB C 13 33.640 33.249 0.391 1
1 43 . 18 1 1 A 4 4 LYS N N 13 125.901 125.045 0.856 1
1 44 . 18 1 1 A 5 5 LEU H H 14 8.887 8.644 0.243 1
1 45 . 18 1 1 A 5 5 LEU HA H 14 4.927 4.995 -0.068 1
1 51 . 18 1 1 A 5 5 LEU CA C 14 52.944 53.797 -0.853 1
1 52 . 18 1 1 A 5 5 LEU CB C 14 47.069 44.967 2.102 1
1 54 . 18 1 1 A 5 5 LEU N N 14 126.276 129.023 -2.747 1
1 55 . 18 1 1 A 6 6 ARG H H 15 9.361 8.686 0.675 1
1 56 . 18 1 1 A 6 6 ARG HA H 15 5.205 5.133 0.072 1
1 61 . 18 1 1 A 6 6 ARG CA C 15 55.064 54.643 0.421 1
1 62 . 18 1 1 A 6 6 ARG CB C 15 31.979 33.398 -1.419 1
1 64 . 18 1 1 A 6 6 ARG N N 15 123.745 125.939 -2.194 1
1 65 . 18 1 1 A 7 7 LEU H H 16 9.694 8.513 1.181 1
1 66 . 18 1 1 A 7 7 LEU HA H 16 5.437 4.974 0.463 1
1 73 . 18 1 1 A 7 7 LEU CA C 16 53.777 53.742 0.035 1
1 74 . 18 1 1 A 7 7 LEU CB C 16 45.577 43.355 2.222 1
1 77 . 18 1 1 A 7 7 LEU N N 16 111.467 128.597 -17.130 1
1 78 . 18 1 1 A 8 8 THR H H 17 9.470 9.197 0.273 1
1 79 . 18 1 1 A 8 8 THR HA H 17 4.904 5.055 -0.151 1
1 84 . 18 1 1 A 8 8 THR CA C 17 62.827 62.200 0.627 1
1 85 . 18 1 1 A 8 8 THR CB C 17 69.540 69.341 0.199 1
1 87 . 18 1 1 A 8 8 THR N N 17 124.589 124.428 0.161 1
1 88 . 18 1 1 A 9 9 VAL H H 18 9.339 9.344 -0.005 1
1 89 . 18 1 1 A 9 9 VAL HA H 18 4.374 4.220 0.154 1
1 97 . 18 1 1 A 9 9 VAL CA C 18 61.708 62.937 -1.229 1
1 98 . 18 1 1 A 9 9 VAL CB C 18 31.021 30.623 0.398 1
1 101 . 18 1 1 A 9 9 VAL N N 18 127.963 128.045 -0.082 1
1 102 . 18 1 1 A 10 10 LEU H H 19 8.957 8.359 0.598 1
1 103 . 18 1 1 A 10 10 LEU HA H 19 4.334 4.269 0.065 1
1 113 . 18 1 1 A 10 10 LEU CA C 19 59.232 57.858 1.374 1
1 114 . 18 1 1 A 10 10 LEU CB C 19 43.525 42.719 0.806 1
1 118 . 18 1 1 A 10 10 LEU N N 19 127.775 129.425 -1.650 1
1 119 . 18 1 1 A 11 11 CYS H H 20 8.038 7.594 0.444 1
1 120 . 18 1 1 A 11 11 CYS HA H 20 5.152 4.647 0.505 1
1 123 . 18 1 1 A 11 11 CYS CA C 20 55.928 57.091 -1.163 1
1 124 . 18 1 1 A 11 11 CYS CB C 20 30.655 30.142 0.513 1
1 125 . 18 1 1 A 11 11 CYS N N 20 109.968 112.754 -2.786 1
1 126 . 18 1 1 A 12 12 ALA H H 21 8.485 8.456 0.029 1
1 127 . 18 1 1 A 12 12 ALA HA H 21 5.397 5.370 0.027 1
1 131 . 18 1 1 A 12 12 ALA CA C 21 50.707 50.572 0.135 1
1 132 . 18 1 1 A 12 12 ALA CB C 21 22.550 23.370 -0.820 1
1 133 . 18 1 1 A 12 12 ALA N N 21 119.247 123.538 -4.291 1
1 134 . 18 1 1 A 13 13 LYS H H 22 8.905 8.742 0.163 1
1 135 . 18 1 1 A 13 13 LYS HA H 22 5.144 4.698 0.446 1
1 141 . 18 1 1 A 13 13 LYS CA C 22 54.063 54.770 -0.707 1
1 142 . 18 1 1 A 13 13 LYS CB C 22 37.217 36.022 1.195 1
1 146 . 18 1 1 A 13 13 LYS N N 22 117.934 119.635 -1.701 1
1 147 . 18 1 1 A 14 14 ASN H H 23 9.099 8.991 0.108 1
1 148 . 18 1 1 A 14 14 ASN HA H 23 4.187 4.293 -0.106 1
1 153 . 18 1 1 A 14 14 ASN CA C 23 53.735 53.758 -0.023 1
1 154 . 18 1 1 A 14 14 ASN CB C 23 37.736 36.948 0.788 1
1 155 . 18 1 1 A 14 14 ASN N N 23 118.684 119.534 -0.850 1
1 157 . 18 1 1 A 15 15 LEU H H 24 8.294 8.082 0.212 1
1 158 . 18 1 1 A 15 15 LEU HA H 24 5.161 4.453 0.708 1
1 165 . 18 1 1 A 15 15 LEU CA C 24 55.261 54.548 0.713 1
1 166 . 18 1 1 A 15 15 LEU CB C 24 42.966 42.354 0.612 1
1 169 . 18 1 1 A 15 15 LEU N N 24 114.373 122.814 -8.441 1
1 170 . 18 1 1 A 16 16 VAL H H 25 8.533 8.623 -0.090 1
1 171 . 18 1 1 A 16 16 VAL HA H 25 3.635 4.012 -0.377 1
1 179 . 18 1 1 A 16 16 VAL CA C 25 62.318 62.924 -0.606 1
1 180 . 18 1 1 A 16 16 VAL CB C 25 33.064 32.422 0.642 1
1 183 . 18 1 1 A 16 16 VAL N N 25 119.200 125.195 -5.995 1
1 184 . 18 1 1 A 17 17 LYS H H 26 7.950 8.378 -0.428 1
1 185 . 18 1 1 A 17 17 LYS HA H 26 4.302 3.980 0.322 1
1 192 . 18 1 1 A 17 17 LYS CA C 26 54.150 58.720 -4.570 1
1 193 . 18 1 1 A 17 17 LYS CB C 26 33.826 31.997 1.829 1
1 197 . 18 1 1 A 17 17 LYS N N 26 128.056 126.992 1.064 1
1 198 . 18 1 1 A 18 18 LYS H H 27 8.549 7.785 0.764 1
1 199 . 18 1 1 A 18 18 LYS HA H 27 4.078 3.843 0.235 1
1 207 . 18 1 1 A 18 18 LYS CA C 27 58.626 58.704 -0.078 1
1 208 . 18 1 1 A 18 18 LYS CB C 27 33.826 31.009 2.817 1
1 211 . 18 1 1 A 18 18 LYS N N 27 125.760 114.669 11.091 1
1 212 . 18 1 1 A 19 19 ASP H H 28 8.438 8.439 -0.001 1
1 213 . 18 1 1 A 19 19 ASP HA H 28 4.801 4.876 -0.075 1
1 216 . 18 1 1 A 19 19 ASP CA C 28 52.964 53.412 -0.448 1
1 217 . 18 1 1 A 19 19 ASP CB C 28 43.518 42.012 1.506 1
1 218 . 18 1 1 A 19 19 ASP N N 28 119.247 118.309 0.938 1
1 219 . 18 1 1 A 20 20 PHE H H 29 8.506 9.267 -0.761 1
1 220 . 18 1 1 A 20 20 PHE HA H 29 4.049 4.203 -0.154 1
1 227 . 18 1 1 A 20 20 PHE CA C 29 60.767 60.590 0.177 1
1 228 . 18 1 1 A 20 20 PHE CB C 29 39.305 39.334 -0.029 1
1 231 . 18 1 1 A 20 20 PHE N N 29 122.011 121.967 0.044 1
1 232 . 18 1 1 A 21 21 PHE H H 30 8.350 8.512 -0.162 1
1 233 . 18 1 1 A 21 21 PHE HA H 30 4.677 4.165 0.512 1
1 240 . 18 1 1 A 21 21 PHE CA C 30 57.789 61.656 -3.867 1
1 241 . 18 1 1 A 21 21 PHE CB C 30 40.824 39.222 1.602 1
1 244 . 18 1 1 A 21 21 PHE N N 30 113.764 118.151 -4.387 1
1 245 . 18 1 1 A 22 22 ARG H H 31 7.631 7.923 -0.292 1
1 246 . 18 1 1 A 22 22 ARG HA H 31 4.614 4.770 -0.156 1
1 252 . 18 1 1 A 22 22 ARG CA C 31 55.325 54.496 0.829 1
1 253 . 18 1 1 A 22 22 ARG CB C 31 33.640 32.293 1.347 1
1 256 . 18 1 1 A 22 22 ARG N N 31 118.778 118.178 0.600 1
1 257 . 18 1 1 A 23 23 LEU H H 32 8.699 8.795 -0.096 1
1 258 . 18 1 1 A 23 23 LEU HA H 32 4.509 4.944 -0.435 1
1 268 . 18 1 1 A 23 23 LEU CA C 32 52.758 51.408 1.350 1
1 269 . 18 1 1 A 23 23 LEU CB C 32 42.593 45.525 -2.932 1
1 273 . 18 1 1 A 23 23 LEU N N 32 123.464 121.484 1.980 1
1 274 . 18 1 1 A 24 24 PRO HA H 33 4.648 4.804 -0.156 1
1 281 . 18 1 1 A 24 24 PRO CA C 33 62.753 62.106 0.647 1
1 282 . 18 1 1 A 24 24 PRO CB C 33 33.965 32.772 1.193 1
1 285 . 18 1 1 A 25 25 ASP H H 34 7.463 8.533 -1.070 1
1 286 . 18 1 1 A 25 25 ASP HA H 34 6.052 5.889 0.163 1
1 289 . 18 1 1 A 25 25 ASP CA C 34 51.080 51.733 -0.653 1
1 290 . 18 1 1 A 25 25 ASP CB C 34 42.779 41.824 0.955 1
1 291 . 18 1 1 A 25 25 ASP N N 34 117.091 121.131 -4.040 1
1 292 . 18 1 1 A 26 26 PRO HA H 35 5.968 5.135 0.833 1
1 299 . 18 1 1 A 26 26 PRO CA C 35 62.827 62.855 -0.028 1
1 300 . 18 1 1 A 26 26 PRO CB C 35 35.132 32.911 2.221 1
1 303 . 18 1 1 A 27 27 PHE H H 36 9.284 8.767 0.517 1
1 304 . 18 1 1 A 27 27 PHE HA H 36 5.009 5.289 -0.280 1
1 312 . 18 1 1 A 27 27 PHE CA C 36 56.301 56.057 0.244 1
1 313 . 18 1 1 A 27 27 PHE CB C 36 42.689 41.200 1.489 1
1 317 . 18 1 1 A 27 27 PHE N N 36 120.090 118.710 1.380 1
1 318 . 18 1 1 A 28 28 ALA H H 37 8.408 8.595 -0.187 1
1 319 . 18 1 1 A 28 28 ALA HA H 37 5.481 5.128 0.353 1
1 323 . 18 1 1 A 28 28 ALA CA C 37 49.186 49.832 -0.646 1
1 324 . 18 1 1 A 28 28 ALA CB C 37 20.389 22.700 -2.311 1
1 325 . 18 1 1 A 28 28 ALA N N 37 122.433 121.143 1.290 1
1 326 . 18 1 1 A 29 29 LYS H H 38 9.617 8.644 0.973 1
1 327 . 18 1 1 A 29 29 LYS HA H 38 5.267 5.400 -0.133 1
1 335 . 18 1 1 A 29 29 LYS CA C 38 54.901 54.837 0.064 1
1 336 . 18 1 1 A 29 29 LYS CB C 38 36.624 35.823 0.801 1
1 340 . 18 1 1 A 29 29 LYS N N 38 121.964 119.199 2.765 1
1 341 . 18 1 1 A 30 30 VAL H H 39 9.159 9.104 0.055 1
1 342 . 18 1 1 A 30 30 VAL HA H 39 4.494 4.701 -0.207 1
1 350 . 18 1 1 A 30 30 VAL CA C 39 61.335 61.823 -0.488 1
1 351 . 18 1 1 A 30 30 VAL CB C 39 34.954 32.504 2.450 1
1 354 . 18 1 1 A 30 30 VAL N N 39 124.497 125.030 -0.533 1
1 355 . 18 1 1 A 31 31 VAL H H 40 8.659 8.587 0.072 1
1 356 . 18 1 1 A 31 31 VAL HA H 40 5.091 4.806 0.285 1
1 364 . 18 1 1 A 31 31 VAL CA C 40 59.898 60.040 -0.142 1
1 365 . 18 1 1 A 31 31 VAL CB C 40 36.959 35.116 1.843 1
1 368 . 18 1 1 A 31 31 VAL N N 40 124.589 121.261 3.328 1
1 369 . 18 1 1 A 32 32 VAL H H 41 7.786 8.402 -0.616 1
1 370 . 18 1 1 A 32 32 VAL HA H 41 4.660 4.275 0.385 1
1 378 . 18 1 1 A 32 32 VAL CA C 41 62.268 62.169 0.099 1
1 379 . 18 1 1 A 32 32 VAL CB C 41 30.995 30.960 0.035 1
1 382 . 18 1 1 A 32 32 VAL N N 41 125.385 127.292 -1.907 1
1 383 . 18 1 1 A 33 33 ASP H H 42 8.568 8.777 -0.209 1
1 384 . 18 1 1 A 33 33 ASP HA H 42 4.310 4.383 -0.073 1
1 386 . 18 1 1 A 33 33 ASP CA C 42 57.321 55.883 1.438 1
1 387 . 18 1 1 A 33 33 ASP CB C 42 40.727 40.147 0.580 1
1 388 . 18 1 1 A 33 33 ASP N N 42 130.868 128.448 2.420 1
1 389 . 18 1 1 A 34 34 GLY HA2 H 43 4.230 4.059 0.171 1
1 390 . 18 1 1 A 34 34 GLY HA3 H 43 3.818 4.063 -0.245 1
1 391 . 18 1 1 A 34 34 GLY CA C 43 46.510 45.091 1.419 1
1 392 . 18 1 1 A 35 35 SER H H 44 8.049 8.224 -0.175 1
1 393 . 18 1 1 A 35 35 SER HA H 44 4.928 4.395 0.533 1
1 396 . 18 1 1 A 35 35 SER CA C 44 58.067 60.634 -2.567 1
1 397 . 18 1 1 A 35 35 SER CB C 44 67.393 62.030 5.363 1
1 398 . 18 1 1 A 35 35 SER N N 44 115.029 113.554 1.475 1
1 399 . 18 1 1 A 36 36 GLY H H 45 8.637 8.749 -0.112 1
1 400 . 18 1 1 A 36 36 GLY HA2 H 45 4.338 3.988 0.350 1
1 401 . 18 1 1 A 36 36 GLY HA3 H 45 3.884 4.001 -0.117 1
1 402 . 18 1 1 A 36 36 GLY CA C 45 46.137 45.227 0.910 1
1 403 . 18 1 1 A 36 36 GLY N N 45 109.265 111.810 -2.545 1
1 404 . 18 1 1 A 37 37 GLN H H 46 8.329 7.960 0.369 1
1 405 . 18 1 1 A 37 37 GLN HA H 46 4.339 4.683 -0.344 1
1 412 . 18 1 1 A 37 37 GLN CA C 46 56.002 54.696 1.306 1
1 413 . 18 1 1 A 37 37 GLN CB C 46 30.241 30.916 -0.675 1
1 415 . 18 1 1 A 37 37 GLN N N 46 120.699 119.660 1.039 1
1 417 . 18 1 1 A 38 38 CYS H H 47 7.787 9.003 -1.216 1
1 418 . 18 1 1 A 38 38 CYS HA H 47 5.257 5.922 -0.665 1
1 420 . 18 1 1 A 38 38 CYS CA C 47 56.761 56.738 0.023 1
1 421 . 18 1 1 A 38 38 CYS CB C 47 29.250 30.659 -1.409 1
1 422 . 18 1 1 A 38 38 CYS N N 47 124.214 122.352 1.862 1
1 423 . 18 1 1 A 39 39 HIS H H 48 8.906 8.504 0.402 1
1 424 . 18 1 1 A 39 39 HIS HA H 48 4.730 5.001 -0.271 1
1 428 . 18 1 1 A 39 39 HIS CA C 48 54.888 54.223 0.665 1
1 429 . 18 1 1 A 39 39 HIS CB C 48 34.688 34.371 0.317 1
1 431 . 18 1 1 A 39 39 HIS N N 48 125.807 119.842 5.965 1
1 432 . 18 1 1 A 40 40 SER H H 49 8.728 8.681 0.047 1
1 433 . 18 1 1 A 40 40 SER HA H 49 5.732 5.431 0.301 1
1 436 . 18 1 1 A 40 40 SER CA C 49 57.041 57.237 -0.196 1
1 437 . 18 1 1 A 40 40 SER CB C 49 66.274 66.510 -0.236 1
1 438 . 18 1 1 A 40 40 SER N N 49 116.034 114.290 1.744 1
1 439 . 18 1 1 A 41 41 THR H H 50 9.212 8.797 0.415 1
1 440 . 18 1 1 A 41 41 THR HA H 50 4.477 5.029 -0.552 1
1 445 . 18 1 1 A 41 41 THR CA C 50 61.457 59.728 1.729 1
1 446 . 18 1 1 A 41 41 THR CB C 50 72.337 70.723 1.614 1
1 448 . 18 1 1 A 41 41 THR N N 50 115.404 112.652 2.752 1
1 449 . 18 1 1 A 42 42 ASP H H 51 9.424 8.479 0.945 1
1 450 . 18 1 1 A 42 42 ASP HA H 51 4.676 4.625 0.051 1
1 453 . 18 1 1 A 42 42 ASP CA C 51 54.996 54.302 0.694 1
1 454 . 18 1 1 A 42 42 ASP CB C 51 41.543 41.809 -0.266 1
1 455 . 18 1 1 A 42 42 ASP N N 51 119.340 122.505 -3.165 1
1 456 . 18 1 1 A 43 43 THR H H 52 8.650 8.510 0.140 1
1 457 . 18 1 1 A 43 43 THR HA H 52 4.858 5.160 -0.302 1
1 462 . 18 1 1 A 43 43 THR CA C 52 62.637 62.143 0.494 1
1 463 . 18 1 1 A 43 43 THR CB C 52 70.191 70.640 -0.449 1
1 465 . 18 1 1 A 43 43 THR N N 52 117.836 119.255 -1.419 1
1 466 . 18 1 1 A 44 44 VAL H H 53 8.266 9.220 -0.954 1
1 467 . 18 1 1 A 44 44 VAL HA H 53 4.363 4.523 -0.160 1
1 475 . 18 1 1 A 44 44 VAL CA C 53 61.086 61.170 -0.084 1
1 476 . 18 1 1 A 44 44 VAL CB C 53 33.361 32.963 0.398 1
1 479 . 18 1 1 A 44 44 VAL N N 53 127.775 126.650 1.125 1
1 480 . 18 1 1 A 45 45 LYS H H 54 8.163 8.651 -0.488 1
1 481 . 18 1 1 A 45 45 LYS HA H 54 4.229 4.630 -0.401 1
1 487 . 18 1 1 A 45 45 LYS CA C 54 56.627 57.048 -0.421 1
1 488 . 18 1 1 A 45 45 LYS CB C 54 33.739 32.684 1.055 1
1 492 . 18 1 1 A 45 45 LYS N N 54 120.934 127.665 -6.731 1
1 493 . 18 1 1 A 46 46 ASN H H 55 9.642 8.548 1.094 1
1 494 . 18 1 1 A 46 46 ASN HA H 55 4.150 4.755 -0.605 1
1 499 . 18 1 1 A 46 46 ASN CA C 55 54.029 53.821 0.208 1
1 500 . 18 1 1 A 46 46 ASN CB C 55 38.668 36.203 2.465 1
1 501 . 18 1 1 A 46 46 ASN N N 55 121.215 121.650 -0.435 1
1 503 . 18 1 1 A 47 47 THR H H 56 8.246 7.843 0.403 1
1 504 . 18 1 1 A 47 47 THR HA H 56 4.661 4.817 -0.156 1
1 509 . 18 1 1 A 47 47 THR CA C 56 60.963 60.380 0.583 1
1 510 . 18 1 1 A 47 47 THR CB C 56 68.512 69.835 -1.323 1
1 512 . 18 1 1 A 47 47 THR N N 56 111.936 117.966 -6.030 1
1 513 . 18 1 1 A 48 48 LEU H H 57 8.245 8.483 -0.238 1
1 514 . 18 1 1 A 48 48 LEU HA H 57 4.410 4.612 -0.202 1
1 524 . 18 1 1 A 48 48 LEU CA C 57 53.641 53.773 -0.132 1
1 525 . 18 1 1 A 48 48 LEU CB C 57 41.570 41.819 -0.249 1
1 529 . 18 1 1 A 48 48 LEU N N 57 122.433 124.327 -1.894 1
1 530 . 18 1 1 A 49 49 ASP H H 58 8.544 7.779 0.765 1
1 531 . 18 1 1 A 49 49 ASP HA H 58 5.419 4.845 0.574 1
1 534 . 18 1 1 A 49 49 ASP CA C 58 51.826 51.852 -0.026 1
1 535 . 18 1 1 A 49 49 ASP CB C 58 44.085 40.971 3.114 1
1 536 . 18 1 1 A 49 49 ASP N N 58 116.903 119.366 -2.463 1
1 537 . 18 1 1 A 50 50 PRO HA H 59 3.790 4.487 -0.697 1
1 543 . 18 1 1 A 50 50 PRO CA C 59 63.219 62.044 1.175 1
1 544 . 18 1 1 A 50 50 PRO CB C 59 32.661 32.764 -0.103 1
1 547 . 18 1 1 A 51 51 LYS H H 60 7.806 7.822 -0.016 1
1 548 . 18 1 1 A 51 51 LYS HA H 60 4.224 4.555 -0.331 1
1 555 . 18 1 1 A 51 51 LYS CA C 60 55.521 54.798 0.723 1
1 556 . 18 1 1 A 51 51 LYS CB C 60 33.826 35.710 -1.884 1
1 560 . 18 1 1 A 51 51 LYS N N 60 119.996 116.579 3.417 1
1 561 . 18 1 1 A 52 52 TRP H H 61 7.791 8.078 -0.287 1
1 562 . 18 1 1 A 52 52 TRP HA H 61 4.824 4.876 -0.052 1
1 570 . 18 1 1 A 52 52 TRP CA C 61 60.590 57.438 3.152 1
1 571 . 18 1 1 A 52 52 TRP CB C 61 29.715 31.335 -1.620 1
1 576 . 18 1 1 A 52 52 TRP N N 61 122.386 119.788 2.598 1
1 578 . 18 1 1 A 53 53 ASN H H 62 9.040 8.047 0.993 1
1 579 . 18 1 1 A 53 53 ASN HA H 62 4.419 4.475 -0.056 1
1 584 . 18 1 1 A 53 53 ASN CA C 62 53.789 54.103 -0.314 1
1 585 . 18 1 1 A 53 53 ASN CB C 62 37.922 36.239 1.683 1
1 586 . 18 1 1 A 53 53 ASN N N 62 117.185 117.347 -0.162 1
1 588 . 18 1 1 A 54 54 GLN H H 63 7.512 7.323 0.189 1
1 589 . 18 1 1 A 54 54 GLN HA H 63 4.584 4.699 -0.115 1
1 596 . 18 1 1 A 54 54 GLN CA C 63 55.008 54.403 0.605 1
1 597 . 18 1 1 A 54 54 GLN CB C 63 34.938 31.281 3.657 1
1 599 . 18 1 1 A 54 54 GLN N N 63 116.341 118.388 -2.047 1
1 601 . 18 1 1 A 55 55 HIS H H 64 7.782 8.035 -0.253 1
1 602 . 18 1 1 A 55 55 HIS HA H 64 5.796 6.093 -0.297 1
1 606 . 18 1 1 A 55 55 HIS CA C 64 53.059 53.277 -0.218 1
1 607 . 18 1 1 A 55 55 HIS CB C 64 34.378 33.441 0.937 1
1 609 . 18 1 1 A 55 55 HIS N N 64 118.403 117.706 0.697 1
1 610 . 18 1 1 A 56 56 TYR H H 65 8.657 8.781 -0.124 1
1 611 . 18 1 1 A 56 56 TYR HA H 65 4.404 4.834 -0.430 1
1 618 . 18 1 1 A 56 56 TYR CA C 65 57.430 56.355 1.075 1
1 619 . 18 1 1 A 56 56 TYR CB C 65 42.958 41.579 1.379 1
1 622 . 18 1 1 A 56 56 TYR N N 65 116.435 119.658 -3.223 1
1 623 . 18 1 1 A 57 57 ASP H H 66 8.772 8.849 -0.077 1
1 624 . 18 1 1 A 57 57 ASP HA H 66 5.283 5.559 -0.276 1
1 627 . 18 1 1 A 57 57 ASP CA C 66 54.250 53.995 0.255 1
1 628 . 18 1 1 A 57 57 ASP CB C 66 40.914 41.802 -0.888 1
1 629 . 18 1 1 A 57 57 ASP N N 66 124.776 122.912 1.864 1
1 630 . 18 1 1 A 58 58 LEU H H 67 9.175 8.640 0.535 1
1 631 . 18 1 1 A 58 58 LEU HA H 67 4.589 4.913 -0.324 1
1 641 . 18 1 1 A 58 58 LEU CA C 67 53.131 53.542 -0.411 1
1 642 . 18 1 1 A 58 58 LEU CB C 67 45.060 45.327 -0.267 1
1 645 . 18 1 1 A 58 58 LEU N N 67 124.558 124.768 -0.210 1
1 646 . 18 1 1 A 59 59 TYR H H 68 8.877 8.735 0.142 1
1 647 . 18 1 1 A 59 59 TYR HA H 68 5.096 5.161 -0.065 1
1 654 . 18 1 1 A 59 59 TYR CA C 68 57.606 58.376 -0.770 1
1 655 . 18 1 1 A 59 59 TYR CB C 68 39.422 39.571 -0.149 1
1 658 . 18 1 1 A 59 59 TYR N N 68 121.215 123.132 -1.917 1
1 659 . 18 1 1 A 60 60 ILE H H 69 9.162 8.657 0.505 1
1 660 . 18 1 1 A 60 60 ILE HA H 69 4.551 4.652 -0.101 1
1 670 . 18 1 1 A 60 60 ILE CA C 69 59.471 60.063 -0.592 1
1 671 . 18 1 1 A 60 60 ILE CB C 69 40.500 39.871 0.629 1
1 675 . 18 1 1 A 60 60 ILE N N 69 124.823 123.751 1.072 1
1 676 . 18 1 1 A 61 61 GLY H H 70 9.960 8.676 1.284 1
1 677 . 18 1 1 A 61 61 GLY HA2 H 70 4.517 4.099 0.418 1
1 678 . 18 1 1 A 61 61 GLY HA3 H 70 3.881 4.102 -0.221 1
1 679 . 18 1 1 A 61 61 GLY CA C 70 44.083 44.539 -0.456 1
1 680 . 18 1 1 A 61 61 GLY N N 70 117.841 114.424 3.417 1
1 681 . 18 1 1 A 62 62 LYS H H 71 8.605 8.768 -0.163 1
1 682 . 18 1 1 A 62 62 LYS HA H 71 4.090 3.906 0.184 1
1 687 . 18 1 1 A 62 62 LYS CA C 71 59.447 59.099 0.348 1
1 688 . 18 1 1 A 62 62 LYS CB C 71 33.453 32.119 1.334 1
1 692 . 18 1 1 A 62 62 LYS N N 71 119.434 120.499 -1.065 1
1 693 . 18 1 1 A 63 63 SER H H 72 8.544 7.876 0.668 1
1 694 . 18 1 1 A 63 63 SER HA H 72 4.811 4.721 0.090 1
1 696 . 18 1 1 A 63 63 SER CA C 72 57.606 56.825 0.781 1
1 697 . 18 1 1 A 63 63 SER CB C 72 64.013 63.266 0.747 1
1 698 . 18 1 1 A 63 63 SER N N 72 111.842 109.378 2.464 1
1 699 . 18 1 1 A 64 64 ASP H H 73 7.247 7.906 -0.659 1
1 700 . 18 1 1 A 64 64 ASP HA H 73 4.867 5.269 -0.402 1
1 702 . 18 1 1 A 64 64 ASP CA C 73 55.500 52.835 2.665 1
1 703 . 18 1 1 A 64 64 ASP CB C 73 43.331 42.876 0.455 1
1 704 . 18 1 1 A 64 64 ASP N N 73 121.964 122.550 -0.586 1
1 705 . 18 1 1 A 65 65 SER H H 74 8.742 8.927 -0.185 1
1 706 . 18 1 1 A 65 65 SER HA H 74 5.074 5.292 -0.218 1
1 708 . 18 1 1 A 65 65 SER CA C 74 56.301 56.663 -0.362 1
1 709 . 18 1 1 A 65 65 SER CB C 74 67.579 67.024 0.555 1
1 710 . 18 1 1 A 65 65 SER N N 74 111.936 112.630 -0.694 1
1 711 . 18 1 1 A 66 66 VAL H H 75 8.622 8.379 0.243 1
1 712 . 18 1 1 A 66 66 VAL HA H 75 5.095 4.653 0.442 1
1 720 . 18 1 1 A 66 66 VAL CA C 75 60.217 60.412 -0.195 1
1 721 . 18 1 1 A 66 66 VAL CB C 75 36.617 35.344 1.273 1
1 724 . 18 1 1 A 66 66 VAL N N 75 119.422 119.982 -0.560 1
1 725 . 18 1 1 A 67 67 THR H H 76 9.152 8.975 0.177 1
1 726 . 18 1 1 A 67 67 THR HA H 76 5.199 4.966 0.233 1
1 731 . 18 1 1 A 67 67 THR CA C 76 63.014 61.871 1.143 1
1 732 . 18 1 1 A 67 67 THR CB C 76 69.703 71.279 -1.576 1
1 734 . 18 1 1 A 67 67 THR N N 76 123.839 122.670 1.169 1
1 735 . 18 1 1 A 68 68 ILE H H 77 9.106 8.998 0.108 1
1 736 . 18 1 1 A 68 68 ILE HA H 77 5.389 4.722 0.667 1
1 746 . 18 1 1 A 68 68 ILE CA C 77 59.844 60.630 -0.786 1
1 747 . 18 1 1 A 68 68 ILE CB C 77 40.347 38.333 2.014 1
1 751 . 18 1 1 A 68 68 ILE N N 77 129.275 129.786 -0.511 1
1 752 . 18 1 1 A 69 69 SER H H 78 9.645 9.095 0.550 1
1 753 . 18 1 1 A 69 69 SER HA H 78 5.265 5.453 -0.188 1
1 756 . 18 1 1 A 69 69 SER CA C 78 56.114 56.445 -0.331 1
1 757 . 18 1 1 A 69 69 SER CB C 78 66.087 65.433 0.654 1
1 758 . 18 1 1 A 69 69 SER N N 78 120.559 121.656 -1.097 1
1 759 . 18 1 1 A 70 70 VAL H H 79 8.482 8.752 -0.270 1
1 760 . 18 1 1 A 70 70 VAL HA H 79 4.676 4.543 0.133 1
1 768 . 18 1 1 A 70 70 VAL CA C 79 60.852 61.285 -0.433 1
1 769 . 18 1 1 A 70 70 VAL CB C 79 32.992 32.678 0.314 1
1 772 . 18 1 1 A 70 70 VAL N N 79 121.777 124.200 -2.423 1
1 773 . 18 1 1 A 71 71 TRP H H 80 8.627 8.313 0.314 1
1 774 . 18 1 1 A 71 71 TRP HA H 80 4.930 4.947 -0.017 1
1 783 . 18 1 1 A 71 71 TRP CA C 80 55.182 54.985 0.197 1
1 784 . 18 1 1 A 71 71 TRP CB C 80 34.058 33.133 0.925 1
1 790 . 18 1 1 A 71 71 TRP N N 80 124.474 126.982 -2.508 1
1 792 . 18 1 1 A 72 72 ASN H H 81 9.891 9.136 0.755 1
1 793 . 18 1 1 A 72 72 ASN HA H 81 4.789 5.013 -0.224 1
1 798 . 18 1 1 A 72 72 ASN CA C 81 51.049 52.581 -1.532 1
1 799 . 18 1 1 A 72 72 ASN CB C 81 39.091 38.142 0.949 1
1 800 . 18 1 1 A 72 72 ASN N N 81 116.435 121.763 -5.328 1
1 802 . 18 1 1 A 73 73 HIS H H 82 9.967 9.171 0.796 1
1 803 . 18 1 1 A 73 73 HIS HA H 82 4.499 4.419 0.080 1
1 806 . 18 1 1 A 73 73 HIS CA C 82 60.788 60.651 0.137 1
1 807 . 18 1 1 A 73 73 HIS CB C 82 32.327 30.817 1.510 1
1 808 . 18 1 1 A 73 73 HIS N N 82 127.963 126.138 1.825 1
1 809 . 18 1 1 A 74 74 LYS H H 83 7.764 8.264 -0.500 1
1 810 . 18 1 1 A 74 74 LYS HA H 83 4.297 3.804 0.493 1
1 817 . 18 1 1 A 74 74 LYS CA C 83 59.232 60.004 -0.772 1
1 818 . 18 1 1 A 74 74 LYS CB C 83 33.640 32.279 1.361 1
1 822 . 18 1 1 A 74 74 LYS N N 83 112.592 117.870 -5.278 1
1 823 . 18 1 1 A 75 75 LYS H H 84 7.626 7.726 -0.100 1
1 824 . 18 1 1 A 75 75 LYS HA H 84 4.607 4.211 0.396 1
1 832 . 18 1 1 A 75 75 LYS CA C 84 55.828 58.886 -3.058 1
1 833 . 18 1 1 A 75 75 LYS CB C 84 36.064 31.796 4.268 1
1 837 . 18 1 1 A 75 75 LYS N N 84 114.560 119.665 -5.105 1
1 838 . 18 1 1 A 76 76 ILE H H 85 7.021 8.021 -1.000 1
1 839 . 18 1 1 A 76 76 ILE HA H 85 4.132 4.410 -0.278 1
1 849 . 18 1 1 A 76 76 ILE CA C 85 64.013 64.193 -0.180 1
1 850 . 18 1 1 A 76 76 ILE CB C 85 39.146 37.550 1.596 1
1 854 . 18 1 1 A 76 76 ILE N N 85 113.811 117.508 -3.697 1
1 855 . 18 1 1 A 77 77 HIS H H 86 8.335 7.636 0.699 1
1 856 . 18 1 1 A 77 77 HIS HA H 86 4.612 4.219 0.393 1
1 859 . 18 1 1 A 77 77 HIS CA C 86 56.815 58.356 -1.541 1
1 860 . 18 1 1 A 77 77 HIS CB C 86 30.461 30.574 -0.113 1
1 862 . 18 1 1 A 77 77 HIS N N 86 117.841 122.834 -4.993 1
1 863 . 18 1 1 A 78 78 LYS H H 87 7.587 7.532 0.055 1
1 864 . 18 1 1 A 78 78 LYS HA H 87 4.094 3.975 0.119 1
1 870 . 18 1 1 A 78 78 LYS CA C 87 57.628 59.740 -2.112 1
1 871 . 18 1 1 A 78 78 LYS CB C 87 32.893 32.738 0.155 1
1 875 . 18 1 1 A 78 78 LYS N N 87 120.652 118.947 1.705 1
1 876 . 18 1 1 A 79 79 LYS H H 88 7.585 7.566 0.019 1
1 877 . 18 1 1 A 79 79 LYS HA H 88 4.304 4.674 -0.370 1
1 883 . 18 1 1 A 79 79 LYS CA C 88 56.467 54.329 2.138 1
1 884 . 18 1 1 A 79 79 LYS CB C 88 34.013 36.761 -2.748 1
1 888 . 18 1 1 A 79 79 LYS N N 88 115.872 116.187 -0.315 1
1 889 . 18 1 1 A 80 80 GLN H H 89 8.625 8.604 0.021 1
1 890 . 18 1 1 A 80 80 GLN HA H 89 4.192 3.914 0.278 1
1 893 . 18 1 1 A 80 80 GLN CA C 89 57.590 58.771 -1.181 1
1 894 . 18 1 1 A 80 80 GLN CB C 89 28.331 28.881 -0.550 1
1 896 . 18 1 1 A 80 80 GLN N N 89 121.308 121.956 -0.648 1
1 897 . 18 1 1 A 81 81 GLY H H 90 8.791 8.268 0.523 1
1 898 . 18 1 1 A 81 81 GLY HA2 H 90 4.332 4.020 0.312 1
1 899 . 18 1 1 A 81 81 GLY HA3 H 90 3.850 4.065 -0.215 1
1 900 . 18 1 1 A 81 81 GLY CA C 90 45.950 46.603 -0.653 1
1 901 . 18 1 1 A 81 81 GLY N N 90 112.984 107.583 5.401 1
1 902 . 18 1 1 A 82 82 ALA H H 91 7.951 7.646 0.305 1
1 903 . 18 1 1 A 82 82 ALA HA H 91 4.485 4.151 0.334 1
1 907 . 18 1 1 A 82 82 ALA CA C 91 53.404 53.932 -0.528 1
1 908 . 18 1 1 A 82 82 ALA CB C 91 20.762 18.474 2.288 1
1 909 . 18 1 1 A 82 82 ALA N N 91 123.745 122.875 0.870 1
1 910 . 18 1 1 A 83 83 GLY H H 92 8.860 8.965 -0.105 1
1 911 . 18 1 1 A 83 83 GLY HA2 H 92 4.270 4.206 0.064 1
1 912 . 18 1 1 A 83 83 GLY HA3 H 92 4.262 4.297 -0.035 1
1 913 . 18 1 1 A 83 83 GLY CA C 92 46.689 45.366 1.323 1
1 914 . 18 1 1 A 83 83 GLY N N 92 105.564 111.039 -5.475 1
1 915 . 18 1 1 A 84 84 PHE H H 93 8.113 8.061 0.052 1
1 916 . 18 1 1 A 84 84 PHE HA H 93 3.440 4.224 -0.784 1
1 924 . 18 1 1 A 84 84 PHE CA C 93 59.932 58.237 1.695 1
1 925 . 18 1 1 A 84 84 PHE CB C 93 39.141 39.680 -0.539 1
1 929 . 18 1 1 A 84 84 PHE N N 93 121.215 121.311 -0.096 1
1 930 . 18 1 1 A 85 85 LEU H H 94 8.204 7.387 0.817 1
1 931 . 18 1 1 A 85 85 LEU HA H 94 4.334 4.289 0.045 1
1 938 . 18 1 1 A 85 85 LEU CA C 94 53.569 55.275 -1.706 1
1 939 . 18 1 1 A 85 85 LEU CB C 94 43.255 44.079 -0.824 1
1 942 . 18 1 1 A 85 85 LEU N N 94 125.432 124.248 1.184 1
1 943 . 18 1 1 A 86 86 GLY HA2 H 95 4.222 3.708 0.514 1
1 944 . 18 1 1 A 86 86 GLY HA3 H 95 3.147 3.794 -0.647 1
1 945 . 18 1 1 A 86 86 GLY CA C 95 45.570 45.507 0.063 1
1 946 . 18 1 1 A 87 87 CYS H H 96 9.230 8.971 0.259 1
1 947 . 18 1 1 A 87 87 CYS HA H 96 5.838 5.254 0.584 1
1 949 . 18 1 1 A 87 87 CYS CA C 96 55.882 57.514 -1.632 1
1 950 . 18 1 1 A 87 87 CYS CB C 96 33.259 29.390 3.869 1
1 951 . 18 1 1 A 87 87 CYS N N 96 114.935 122.054 -7.119 1
1 952 . 18 1 1 A 88 88 VAL H H 97 9.242 9.106 0.136 1
1 953 . 18 1 1 A 88 88 VAL HA H 97 4.575 4.837 -0.262 1
1 961 . 18 1 1 A 88 88 VAL CA C 97 61.769 60.282 1.487 1
1 962 . 18 1 1 A 88 88 VAL CB C 97 35.684 33.997 1.687 1
1 965 . 18 1 1 A 88 88 VAL N N 97 115.966 125.872 -9.906 1
1 966 . 18 1 1 A 89 89 ARG H H 98 8.665 8.945 -0.280 1
1 967 . 18 1 1 A 89 89 ARG HA H 98 5.166 5.041 0.125 1
1 973 . 18 1 1 A 89 89 ARG CA C 98 54.929 54.560 0.369 1
1 974 . 18 1 1 A 89 89 ARG CB C 98 31.961 32.977 -1.016 1
1 977 . 18 1 1 A 89 89 ARG N N 98 125.526 128.512 -2.986 1
1 978 . 18 1 1 A 90 90 LEU H H 99 9.611 8.522 1.089 1
1 979 . 18 1 1 A 90 90 LEU HA H 99 4.644 5.198 -0.554 1
1 989 . 18 1 1 A 90 90 LEU CA C 99 53.217 53.051 0.166 1
1 990 . 18 1 1 A 90 90 LEU CB C 99 43.339 45.421 -2.082 1
1 994 . 18 1 1 A 90 90 LEU N N 99 127.119 124.783 2.336 1
1 995 . 18 1 1 A 91 91 LEU H H 100 7.953 8.592 -0.639 1
1 996 . 18 1 1 A 91 91 LEU HA H 100 4.540 4.646 -0.106 1
1 1005 . 18 1 1 A 91 91 LEU CA C 100 54.523 54.025 0.498 1
1 1006 . 18 1 1 A 91 91 LEU CB C 100 42.593 42.482 0.111 1
1 1010 . 18 1 1 A 91 91 LEU N N 100 122.527 124.693 -2.166 1
1 1011 . 18 1 1 A 92 92 SER H H 101 8.754 8.865 -0.111 1
1 1012 . 18 1 1 A 92 92 SER HA H 101 3.950 4.140 -0.190 1
1 1013 . 18 1 1 A 92 92 SER CA C 101 63.171 61.570 1.601 1
1 1014 . 18 1 1 A 92 92 SER N N 101 115.966 117.528 -1.562 1
1 1015 . 18 1 1 A 93 93 ASN H H 102 7.765 8.248 -0.483 1
1 1016 . 18 1 1 A 93 93 ASN HA H 102 4.500 4.483 0.017 1
1 1020 . 18 1 1 A 93 93 ASN CA C 102 56.487 56.153 0.334 1
1 1021 . 18 1 1 A 93 93 ASN CB C 102 37.514 38.199 -0.685 1
1 1022 . 18 1 1 A 93 93 ASN N N 102 116.950 120.052 -3.102 1
1 1024 . 18 1 1 A 94 94 ALA H H 103 7.345 7.782 -0.437 1
1 1025 . 18 1 1 A 94 94 ALA HA H 103 4.230 4.080 0.150 1
1 1029 . 18 1 1 A 94 94 ALA CA C 103 54.843 55.172 -0.329 1
1 1030 . 18 1 1 A 94 94 ALA CB C 103 19.643 18.086 1.557 1
1 1031 . 18 1 1 A 94 94 ALA N N 103 124.495 122.186 2.309 1
1 1032 . 18 1 1 A 95 95 ILE H H 104 8.322 8.260 0.062 1
1 1033 . 18 1 1 A 95 95 ILE HA H 104 3.280 3.650 -0.370 1
1 1043 . 18 1 1 A 95 95 ILE CA C 104 66.184 64.515 1.669 1
1 1044 . 18 1 1 A 95 95 ILE CB C 104 37.922 37.364 0.558 1
1 1048 . 18 1 1 A 95 95 ILE N N 104 119.310 119.336 -0.026 1
1 1049 . 18 1 1 A 96 96 ASN H H 105 7.815 8.162 -0.347 1
1 1050 . 18 1 1 A 96 96 ASN HA H 105 4.332 4.382 -0.050 1
1 1052 . 18 1 1 A 96 96 ASN CA C 105 56.487 56.492 -0.005 1
1 1053 . 18 1 1 A 96 96 ASN CB C 105 38.855 38.931 -0.076 1
1 1054 . 18 1 1 A 96 96 ASN N N 105 114.748 120.420 -5.672 1
1 1055 . 18 1 1 A 97 97 ARG H H 106 7.595 7.853 -0.258 1
1 1056 . 18 1 1 A 97 97 ARG HA H 106 4.257 4.013 0.244 1
1 1061 . 18 1 1 A 97 97 ARG CA C 106 58.294 58.945 -0.651 1
1 1062 . 18 1 1 A 97 97 ARG CB C 106 31.401 29.734 1.667 1
1 1065 . 18 1 1 A 97 97 ARG N N 106 117.934 118.582 -0.648 1
1 1066 . 18 1 1 A 98 98 LEU H H 107 8.179 8.503 -0.324 1
1 1067 . 18 1 1 A 98 98 LEU HA H 107 4.288 4.029 0.259 1
1 1077 . 18 1 1 A 98 98 LEU CA C 107 55.735 57.732 -1.997 1
1 1078 . 18 1 1 A 98 98 LEU CB C 107 44.264 41.367 2.897 1
1 1082 . 18 1 1 A 98 98 LEU N N 107 116.341 119.388 -3.047 1
1 1083 . 18 1 1 A 99 99 LYS H H 108 8.058 8.599 -0.541 1
1 1084 . 18 1 1 A 99 99 LYS HA H 108 4.078 4.054 0.024 1
1 1091 . 18 1 1 A 99 99 LYS CA C 108 58.256 58.905 -0.649 1
1 1092 . 18 1 1 A 99 99 LYS CB C 108 32.520 32.032 0.488 1
1 1096 . 18 1 1 A 99 99 LYS N N 108 123.558 117.544 6.014 1
1 1097 . 18 1 1 A 100 100 ASP H H 109 9.305 7.492 1.813 1
1 1098 . 18 1 1 A 100 100 ASP HA H 109 4.672 4.434 0.238 1
1 1101 . 18 1 1 A 100 100 ASP CA C 109 57.047 56.397 0.650 1
1 1102 . 18 1 1 A 100 100 ASP CB C 109 39.041 40.595 -1.554 1
1 1103 . 18 1 1 A 100 100 ASP N N 109 115.779 120.173 -4.394 1
1 1104 . 18 1 1 A 101 101 THR H H 110 7.546 7.592 -0.046 1
1 1105 . 18 1 1 A 101 101 THR HA H 110 4.675 4.139 0.536 1
1 1110 . 18 1 1 A 101 101 THR CA C 110 61.895 63.614 -1.719 1
1 1111 . 18 1 1 A 101 101 THR CB C 110 70.432 69.719 0.713 1
1 1113 . 18 1 1 A 101 101 THR N N 110 129.087 111.009 18.078 1
1 1114 . 18 1 1 A 102 102 GLY H H 111 8.921 8.311 0.610 1
1 1115 . 18 1 1 A 102 102 GLY HA2 H 111 4.337 3.744 0.593 1
1 1116 . 18 1 1 A 102 102 GLY HA3 H 111 3.563 3.754 -0.191 1
1 1117 . 18 1 1 A 102 102 GLY CA C 111 44.062 45.344 -1.282 1
1 1118 . 18 1 1 A 102 102 GLY N N 111 112.780 110.831 1.949 1
1 1119 . 18 1 1 A 103 103 TYR H H 112 8.255 7.573 0.682 1
1 1120 . 18 1 1 A 103 103 TYR HA H 112 4.574 5.404 -0.830 1
1 1127 . 18 1 1 A 103 103 TYR CA C 112 59.745 56.428 3.317 1
1 1128 . 18 1 1 A 103 103 TYR CB C 112 38.295 41.738 -3.443 1
1 1131 . 18 1 1 A 103 103 TYR N N 112 117.653 118.497 -0.844 1
1 1132 . 18 1 1 A 104 104 GLN H H 113 9.435 9.050 0.385 1
1 1133 . 18 1 1 A 104 104 GLN HA H 113 4.659 5.017 -0.358 1
1 1140 . 18 1 1 A 104 104 GLN CA C 113 53.852 54.613 -0.761 1
1 1141 . 18 1 1 A 104 104 GLN CB C 113 31.128 31.549 -0.421 1
1 1143 . 18 1 1 A 104 104 GLN N N 113 121.964 123.085 -1.121 1
1 1145 . 18 1 1 A 105 105 ARG H H 114 8.670 8.953 -0.283 1
1 1146 . 18 1 1 A 105 105 ARG HA H 114 4.838 4.799 0.039 1
1 1151 . 18 1 1 A 105 105 ARG CA C 114 55.090 55.541 -0.451 1
1 1152 . 18 1 1 A 105 105 ARG CB C 114 31.401 30.531 0.870 1
1 1155 . 18 1 1 A 105 105 ARG N N 114 122.246 124.912 -2.666 1
1 1156 . 18 1 1 A 106 106 LEU H H 115 9.269 8.741 0.528 1
1 1157 . 18 1 1 A 106 106 LEU HA H 115 4.843 4.878 -0.035 1
1 1163 . 18 1 1 A 106 106 LEU CA C 115 53.317 53.530 -0.213 1
1 1164 . 18 1 1 A 106 106 LEU CB C 115 44.570 44.252 0.318 1
1 1166 . 18 1 1 A 106 106 LEU N N 115 126.088 126.610 -0.522 1
1 1167 . 18 1 1 A 107 107 ASP H H 116 8.582 8.644 -0.062 1
1 1168 . 18 1 1 A 107 107 ASP HA H 116 4.748 4.929 -0.181 1
1 1171 . 18 1 1 A 107 107 ASP CA C 116 55.402 54.094 1.308 1
1 1172 . 18 1 1 A 107 107 ASP CB C 116 41.280 41.431 -0.151 1
1 1173 . 18 1 1 A 107 107 ASP N N 116 122.714 123.571 -0.857 1
1 1174 . 18 1 1 A 108 108 LEU H H 117 8.067 8.593 -0.526 1
1 1175 . 18 1 1 A 108 108 LEU HA H 117 4.195 4.570 -0.375 1
1 1185 . 18 1 1 A 108 108 LEU CA C 117 55.308 54.601 0.707 1
1 1186 . 18 1 1 A 108 108 LEU CB C 117 42.871 41.147 1.724 1
1 1190 . 18 1 1 A 108 108 LEU N N 117 121.121 124.944 -3.823 1
1 1191 . 18 1 1 A 109 109 CYS H H 118 9.705 8.761 0.944 1
1 1192 . 18 1 1 A 109 109 CYS HA H 118 4.839 4.930 -0.091 1
1 1195 . 18 1 1 A 109 109 CYS CA C 118 57.979 57.922 0.057 1
1 1196 . 18 1 1 A 109 109 CYS CB C 118 31.953 32.619 -0.666 1
1 1197 . 18 1 1 A 109 109 CYS N N 118 118.403 122.878 -4.475 1
1 1198 . 18 1 1 A 110 110 LYS H H 119 8.419 8.423 -0.004 1
1 1199 . 18 1 1 A 110 110 LYS HA H 119 4.426 4.491 -0.065 1
1 1207 . 18 1 1 A 110 110 LYS CA C 119 56.957 56.621 0.336 1
1 1208 . 18 1 1 A 110 110 LYS CB C 119 34.386 32.997 1.389 1
1 1212 . 18 1 1 A 110 110 LYS N N 119 120.090 121.346 -1.256 1
1 1213 . 18 1 1 A 111 111 LEU H H 120 9.016 8.205 0.811 1
1 1214 . 18 1 1 A 111 111 LEU HA H 120 4.054 3.866 0.188 1
1 1223 . 18 1 1 A 111 111 LEU CA C 120 57.694 57.388 0.306 1
1 1224 . 18 1 1 A 111 111 LEU CB C 120 43.062 41.877 1.185 1
1 1227 . 18 1 1 A 111 111 LEU N N 120 123.089 122.778 0.311 1
1 1228 . 18 1 1 A 112 112 GLY H H 121 7.578 7.320 0.258 1
1 1229 . 18 1 1 A 112 112 GLY HA2 H 121 4.320 4.033 0.287 1
1 1230 . 18 1 1 A 112 112 GLY HA3 H 121 3.863 4.043 -0.180 1
1 1231 . 18 1 1 A 112 112 GLY CA C 121 44.644 45.124 -0.480 1
1 1232 . 18 1 1 A 112 112 GLY N N 121 105.939 104.132 1.807 1
1 1233 . 18 1 1 A 113 113 PRO HA H 122 4.365 4.424 -0.059 1
1 1240 . 18 1 1 A 113 113 PRO CA C 122 64.692 64.238 0.454 1
1 1241 . 18 1 1 A 113 113 PRO CB C 122 32.663 32.134 0.529 1
1 1244 . 18 1 1 A 114 114 ASN H H 123 8.603 8.349 0.254 1
1 1245 . 18 1 1 A 114 114 ASN HA H 123 4.899 4.892 0.007 1
1 1250 . 18 1 1 A 114 114 ASN CA C 123 52.944 52.701 0.243 1
1 1251 . 18 1 1 A 114 114 ASN CB C 123 39.041 39.128 -0.087 1
1 1252 . 18 1 1 A 114 114 ASN N N 123 115.591 115.932 -0.341 1
1 1254 . 18 1 1 A 115 115 ASP H H 124 7.507 8.285 -0.778 1
1 1255 . 18 1 1 A 115 115 ASP HA H 124 4.507 4.901 -0.394 1
1 1258 . 18 1 1 A 115 115 ASP CA C 124 54.843 52.630 2.213 1
1 1259 . 18 1 1 A 115 115 ASP CB C 124 41.620 41.023 0.597 1
1 1260 . 18 1 1 A 115 115 ASP N N 124 121.215 121.255 -0.040 1
1 1261 . 18 1 1 A 116 116 ASN H H 125 8.741 8.156 0.585 1
1 1262 . 18 1 1 A 116 116 ASN HA H 125 4.823 4.407 0.416 1
1 1267 . 18 1 1 A 116 116 ASN CA C 125 53.447 53.840 -0.393 1
1 1268 . 18 1 1 A 116 116 ASN CB C 125 43.830 36.898 6.932 1
1 1269 . 18 1 1 A 116 116 ASN N N 125 120.137 120.461 -0.324 1
1 1271 . 18 1 1 A 117 117 ASP H H 126 8.039 7.856 0.183 1
1 1272 . 18 1 1 A 117 117 ASP HA H 126 4.745 4.539 0.206 1
1 1274 . 18 1 1 A 117 117 ASP CA C 126 54.436 54.844 -0.408 1
1 1275 . 18 1 1 A 117 117 ASP CB C 126 42.046 40.730 1.316 1
1 1276 . 18 1 1 A 117 117 ASP N N 126 120.746 117.002 3.744 1
1 1277 . 18 1 1 A 118 118 THR H H 127 8.361 8.647 -0.286 1
1 1278 . 18 1 1 A 118 118 THR HA H 127 4.331 4.703 -0.372 1
1 1283 . 18 1 1 A 118 118 THR CA C 127 62.454 60.370 2.084 1
1 1284 . 18 1 1 A 118 118 THR CB C 127 70.191 68.776 1.415 1
1 1286 . 18 1 1 A 118 118 THR N N 127 116.903 114.871 2.032 1
1 1287 . 18 1 1 A 119 119 VAL H H 128 8.152 7.659 0.493 1
1 1288 . 18 1 1 A 119 119 VAL HA H 128 4.172 4.865 -0.693 1
1 1296 . 18 1 1 A 119 119 VAL CA C 128 61.051 60.090 0.961 1
1 1297 . 18 1 1 A 119 119 VAL CB C 128 35.124 34.962 0.162 1
1 1300 . 18 1 1 A 119 119 VAL N N 128 119.903 121.922 -2.019 1
1 1301 . 18 1 1 A 120 120 ARG H H 129 7.884 8.693 -0.809 1
1 1302 . 18 1 1 A 120 120 ARG HA H 129 4.719 4.774 -0.055 1
1 1307 . 18 1 1 A 120 120 ARG CA C 129 55.555 55.977 -0.422 1
1 1308 . 18 1 1 A 120 120 ARG CB C 129 34.945 31.899 3.046 1
1 1311 . 18 1 1 A 120 120 ARG N N 129 122.621 124.978 -2.357 1
1 1312 . 18 1 1 A 121 121 GLY H H 130 8.289 8.035 0.254 1
1 1313 . 18 1 1 A 121 121 GLY HA2 H 130 4.605 4.212 0.393 1
1 1314 . 18 1 1 A 121 121 GLY HA3 H 130 3.803 4.222 -0.419 1
1 1315 . 18 1 1 A 121 121 GLY CA C 130 45.756 45.611 0.145 1
1 1316 . 18 1 1 A 121 121 GLY N N 130 107.626 112.481 -4.855 1
1 1317 . 18 1 1 A 122 122 GLN H H 131 8.408 8.753 -0.345 1
1 1318 . 18 1 1 A 122 122 GLN HA H 131 5.434 5.263 0.171 1
1 1323 . 18 1 1 A 122 122 GLN CA C 131 54.809 54.074 0.735 1
1 1324 . 18 1 1 A 122 122 GLN CB C 131 34.756 33.406 1.350 1
1 1326 . 18 1 1 A 122 122 GLN N N 131 114.654 118.380 -3.726 1
1 1328 . 18 1 1 A 123 123 ILE H H 132 9.273 8.676 0.597 1
1 1329 . 18 1 1 A 123 123 ILE HA H 132 5.207 4.669 0.538 1
1 1339 . 18 1 1 A 123 123 ILE CA C 132 59.284 59.849 -0.565 1
1 1340 . 18 1 1 A 123 123 ILE CB C 132 44.085 41.455 2.630 1
1 1344 . 18 1 1 A 123 123 ILE N N 132 118.216 121.790 -3.574 1
1 1345 . 18 1 1 A 124 124 VAL H H 133 8.750 9.155 -0.405 1
1 1346 . 18 1 1 A 124 124 VAL HA H 133 5.338 4.824 0.514 1
1 1354 . 18 1 1 A 124 124 VAL CA C 133 61.611 61.165 0.446 1
1 1355 . 18 1 1 A 124 124 VAL CB C 133 32.620 33.229 -0.609 1
1 1358 . 18 1 1 A 124 124 VAL N N 133 126.088 128.588 -2.500 1
1 1359 . 18 1 1 A 125 125 VAL H H 134 8.698 9.005 -0.307 1
1 1360 . 18 1 1 A 125 125 VAL HA H 134 5.859 5.558 0.301 1
1 1368 . 18 1 1 A 125 125 VAL CA C 134 57.880 59.368 -1.488 1
1 1369 . 18 1 1 A 125 125 VAL CB C 134 36.990 36.230 0.760 1
1 1372 . 18 1 1 A 125 125 VAL N N 134 117.895 121.398 -3.503 1
1 1373 . 18 1 1 A 126 126 SER H H 135 8.746 8.838 -0.092 1
1 1374 . 18 1 1 A 126 126 SER HA H 135 4.881 5.335 -0.454 1
1 1377 . 18 1 1 A 126 126 SER CA C 135 56.860 56.816 0.044 1
1 1378 . 18 1 1 A 126 126 SER CB C 135 66.695 65.847 0.848 1
1 1379 . 18 1 1 A 126 126 SER N N 135 112.967 115.422 -2.455 1
1 1380 . 18 1 1 A 127 127 LEU H H 136 9.710 8.987 0.723 1
1 1381 . 18 1 1 A 127 127 LEU HA H 136 5.244 4.998 0.246 1
1 1390 . 18 1 1 A 127 127 LEU CA C 136 54.436 53.658 0.778 1
1 1391 . 18 1 1 A 127 127 LEU CB C 136 46.137 42.278 3.859 1
1 1395 . 18 1 1 A 127 127 LEU N N 136 125.760 126.687 -0.927 1
1 1396 . 18 1 1 A 128 128 GLN H H 137 9.256 8.372 0.884 1
1 1397 . 18 1 1 A 128 128 GLN HA H 137 5.128 5.741 -0.613 1
1 1404 . 18 1 1 A 128 128 GLN CA C 137 54.063 53.961 0.102 1
1 1405 . 18 1 1 A 128 128 GLN CB C 137 34.063 32.596 1.467 1
1 1407 . 18 1 1 A 128 128 GLN N N 137 125.526 122.781 2.745 1
1 1409 . 18 1 1 A 129 129 SER H H 138 8.222 8.530 -0.308 1
1 1410 . 18 1 1 A 129 129 SER HA H 138 4.476 4.846 -0.370 1
1 1413 . 18 1 1 A 129 129 SER CA C 138 60.814 57.470 3.344 1
1 1414 . 18 1 1 A 129 129 SER CB C 138 63.116 64.198 -1.082 1
1 1415 . 18 1 1 A 129 129 SER N N 138 125.620 116.904 8.716 1
1 1416 . 18 1 1 A 130 130 ARG H H 139 8.032 8.360 -0.328 1
1 1417 . 18 1 1 A 130 130 ARG HA H 139 4.601 4.354 0.247 1
1 1424 . 18 1 1 A 130 130 ARG CA C 139 53.934 56.283 -2.349 1
1 1425 . 18 1 1 A 130 130 ARG CB C 139 32.334 31.212 1.122 1
1 1428 . 18 1 1 A 130 130 ARG N N 139 123.136 124.176 -1.040 1
1 6 . 19 1 1 A 2 2 PRO HA H 11 4.498 4.835 -0.337 1
1 11 . 19 1 1 A 2 2 PRO CA C 11 63.103 62.850 0.253 1
1 12 . 19 1 1 A 2 2 PRO CB C 11 32.993 32.750 0.243 1
1 15 . 19 1 1 A 3 3 VAL H H 12 8.356 8.370 -0.014 1
1 16 . 19 1 1 A 3 3 VAL HA H 12 4.370 4.724 -0.354 1
1 24 . 19 1 1 A 3 3 VAL CA C 12 60.982 59.350 1.632 1
1 25 . 19 1 1 A 3 3 VAL CB C 12 34.005 34.609 -0.604 1
1 28 . 19 1 1 A 3 3 VAL N N 12 119.528 114.938 4.590 1
1 29 . 19 1 1 A 4 4 LYS H H 13 8.542 8.908 -0.366 1
1 30 . 19 1 1 A 4 4 LYS HA H 13 4.752 5.068 -0.316 1
1 38 . 19 1 1 A 4 4 LYS CA C 13 55.339 55.676 -0.337 1
1 39 . 19 1 1 A 4 4 LYS CB C 13 33.640 33.825 -0.185 1
1 43 . 19 1 1 A 4 4 LYS N N 13 125.901 123.417 2.484 1
1 44 . 19 1 1 A 5 5 LEU H H 14 8.887 8.727 0.160 1
1 45 . 19 1 1 A 5 5 LEU HA H 14 4.927 5.045 -0.118 1
1 51 . 19 1 1 A 5 5 LEU CA C 14 52.944 54.110 -1.166 1
1 52 . 19 1 1 A 5 5 LEU CB C 14 47.069 46.038 1.031 1
1 54 . 19 1 1 A 5 5 LEU N N 14 126.276 127.740 -1.464 1
1 55 . 19 1 1 A 6 6 ARG H H 15 9.361 8.637 0.724 1
1 56 . 19 1 1 A 6 6 ARG HA H 15 5.205 5.562 -0.357 1
1 61 . 19 1 1 A 6 6 ARG CA C 15 55.064 55.028 0.036 1
1 62 . 19 1 1 A 6 6 ARG CB C 15 31.979 31.971 0.008 1
1 64 . 19 1 1 A 6 6 ARG N N 15 123.745 125.859 -2.114 1
1 65 . 19 1 1 A 7 7 LEU H H 16 9.694 8.713 0.981 1
1 66 . 19 1 1 A 7 7 LEU HA H 16 5.437 4.953 0.484 1
1 73 . 19 1 1 A 7 7 LEU CA C 16 53.777 53.651 0.126 1
1 74 . 19 1 1 A 7 7 LEU CB C 16 45.577 43.495 2.082 1
1 77 . 19 1 1 A 7 7 LEU N N 16 111.467 127.027 -15.560 1
1 78 . 19 1 1 A 8 8 THR H H 17 9.470 9.178 0.292 1
1 79 . 19 1 1 A 8 8 THR HA H 17 4.904 4.873 0.031 1
1 84 . 19 1 1 A 8 8 THR CA C 17 62.827 62.254 0.573 1
1 85 . 19 1 1 A 8 8 THR CB C 17 69.540 69.197 0.343 1
1 87 . 19 1 1 A 8 8 THR N N 17 124.589 124.363 0.226 1
1 88 . 19 1 1 A 9 9 VAL H H 18 9.339 9.216 0.123 1
1 89 . 19 1 1 A 9 9 VAL HA H 18 4.374 4.165 0.209 1
1 97 . 19 1 1 A 9 9 VAL CA C 18 61.708 63.047 -1.339 1
1 98 . 19 1 1 A 9 9 VAL CB C 18 31.021 30.632 0.389 1
1 101 . 19 1 1 A 9 9 VAL N N 18 127.963 128.001 -0.038 1
1 102 . 19 1 1 A 10 10 LEU H H 19 8.957 8.360 0.597 1
1 103 . 19 1 1 A 10 10 LEU HA H 19 4.334 4.260 0.074 1
1 113 . 19 1 1 A 10 10 LEU CA C 19 59.232 57.718 1.514 1
1 114 . 19 1 1 A 10 10 LEU CB C 19 43.525 42.822 0.703 1
1 118 . 19 1 1 A 10 10 LEU N N 19 127.775 129.495 -1.720 1
1 119 . 19 1 1 A 11 11 CYS H H 20 8.038 7.593 0.445 1
1 120 . 19 1 1 A 11 11 CYS HA H 20 5.152 4.670 0.482 1
1 123 . 19 1 1 A 11 11 CYS CA C 20 55.928 57.172 -1.244 1
1 124 . 19 1 1 A 11 11 CYS CB C 20 30.655 30.201 0.454 1
1 125 . 19 1 1 A 11 11 CYS N N 20 109.968 112.774 -2.806 1
1 126 . 19 1 1 A 12 12 ALA H H 21 8.485 8.210 0.275 1
1 127 . 19 1 1 A 12 12 ALA HA H 21 5.397 5.400 -0.003 1
1 131 . 19 1 1 A 12 12 ALA CA C 21 50.707 50.603 0.104 1
1 132 . 19 1 1 A 12 12 ALA CB C 21 22.550 23.545 -0.995 1
1 133 . 19 1 1 A 12 12 ALA N N 21 119.247 123.543 -4.296 1
1 134 . 19 1 1 A 13 13 LYS H H 22 8.905 8.724 0.181 1
1 135 . 19 1 1 A 13 13 LYS HA H 22 5.144 4.725 0.419 1
1 141 . 19 1 1 A 13 13 LYS CA C 22 54.063 54.800 -0.737 1
1 142 . 19 1 1 A 13 13 LYS CB C 22 37.217 36.068 1.149 1
1 146 . 19 1 1 A 13 13 LYS N N 22 117.934 118.996 -1.062 1
1 147 . 19 1 1 A 14 14 ASN H H 23 9.099 8.725 0.374 1
1 148 . 19 1 1 A 14 14 ASN HA H 23 4.187 4.145 0.042 1
1 153 . 19 1 1 A 14 14 ASN CA C 23 53.735 54.091 -0.356 1
1 154 . 19 1 1 A 14 14 ASN CB C 23 37.736 37.032 0.704 1
1 155 . 19 1 1 A 14 14 ASN N N 23 118.684 116.490 2.194 1
1 157 . 19 1 1 A 15 15 LEU H H 24 8.294 7.802 0.492 1
1 158 . 19 1 1 A 15 15 LEU HA H 24 5.161 4.296 0.865 1
1 165 . 19 1 1 A 15 15 LEU CA C 24 55.261 54.615 0.646 1
1 166 . 19 1 1 A 15 15 LEU CB C 24 42.966 41.883 1.083 1
1 169 . 19 1 1 A 15 15 LEU N N 24 114.373 120.260 -5.887 1
1 170 . 19 1 1 A 16 16 VAL H H 25 8.533 8.140 0.393 1
1 171 . 19 1 1 A 16 16 VAL HA H 25 3.635 3.993 -0.358 1
1 179 . 19 1 1 A 16 16 VAL CA C 25 62.318 63.094 -0.776 1
1 180 . 19 1 1 A 16 16 VAL CB C 25 33.064 32.342 0.722 1
1 183 . 19 1 1 A 16 16 VAL N N 25 119.200 125.053 -5.853 1
1 184 . 19 1 1 A 17 17 LYS H H 26 7.950 8.323 -0.373 1
1 185 . 19 1 1 A 17 17 LYS HA H 26 4.302 4.013 0.289 1
1 192 . 19 1 1 A 17 17 LYS CA C 26 54.150 58.425 -4.275 1
1 193 . 19 1 1 A 17 17 LYS CB C 26 33.826 32.056 1.770 1
1 197 . 19 1 1 A 17 17 LYS N N 26 128.056 126.593 1.463 1
1 198 . 19 1 1 A 18 18 LYS H H 27 8.549 7.805 0.744 1
1 199 . 19 1 1 A 18 18 LYS HA H 27 4.078 3.820 0.258 1
1 207 . 19 1 1 A 18 18 LYS CA C 27 58.626 58.684 -0.058 1
1 208 . 19 1 1 A 18 18 LYS CB C 27 33.826 31.022 2.804 1
1 211 . 19 1 1 A 18 18 LYS N N 27 125.760 113.923 11.837 1
1 212 . 19 1 1 A 19 19 ASP H H 28 8.438 8.325 0.113 1
1 213 . 19 1 1 A 19 19 ASP HA H 28 4.801 4.967 -0.166 1
1 216 . 19 1 1 A 19 19 ASP CA C 28 52.964 53.149 -0.185 1
1 217 . 19 1 1 A 19 19 ASP CB C 28 43.518 42.638 0.880 1
1 218 . 19 1 1 A 19 19 ASP N N 28 119.247 118.192 1.055 1
1 219 . 19 1 1 A 20 20 PHE H H 29 8.506 8.938 -0.432 1
1 220 . 19 1 1 A 20 20 PHE HA H 29 4.049 3.953 0.096 1
1 227 . 19 1 1 A 20 20 PHE CA C 29 60.767 60.682 0.085 1
1 228 . 19 1 1 A 20 20 PHE CB C 29 39.305 38.931 0.374 1
1 231 . 19 1 1 A 20 20 PHE N N 29 122.011 122.846 -0.835 1
1 232 . 19 1 1 A 21 21 PHE H H 30 8.350 8.480 -0.130 1
1 233 . 19 1 1 A 21 21 PHE HA H 30 4.677 4.702 -0.025 1
1 240 . 19 1 1 A 21 21 PHE CA C 30 57.789 59.855 -2.066 1
1 241 . 19 1 1 A 21 21 PHE CB C 30 40.824 38.115 2.709 1
1 244 . 19 1 1 A 21 21 PHE N N 30 113.764 116.404 -2.640 1
1 245 . 19 1 1 A 22 22 ARG H H 31 7.631 7.578 0.053 1
1 246 . 19 1 1 A 22 22 ARG HA H 31 4.614 4.962 -0.348 1
1 252 . 19 1 1 A 22 22 ARG CA C 31 55.325 54.451 0.874 1
1 253 . 19 1 1 A 22 22 ARG CB C 31 33.640 33.917 -0.277 1
1 256 . 19 1 1 A 22 22 ARG N N 31 118.778 118.156 0.622 1
1 257 . 19 1 1 A 23 23 LEU H H 32 8.699 8.837 -0.138 1
1 258 . 19 1 1 A 23 23 LEU HA H 32 4.509 4.894 -0.385 1
1 268 . 19 1 1 A 23 23 LEU CA C 32 52.758 50.927 1.831 1
1 269 . 19 1 1 A 23 23 LEU CB C 32 42.593 45.685 -3.092 1
1 273 . 19 1 1 A 23 23 LEU N N 32 123.464 121.772 1.692 1
1 274 . 19 1 1 A 24 24 PRO HA H 33 4.648 4.856 -0.208 1
1 281 . 19 1 1 A 24 24 PRO CA C 33 62.753 62.151 0.602 1
1 282 . 19 1 1 A 24 24 PRO CB C 33 33.965 32.709 1.256 1
1 285 . 19 1 1 A 25 25 ASP H H 34 7.463 8.566 -1.103 1
1 286 . 19 1 1 A 25 25 ASP HA H 34 6.052 5.539 0.513 1
1 289 . 19 1 1 A 25 25 ASP CA C 34 51.080 51.887 -0.807 1
1 290 . 19 1 1 A 25 25 ASP CB C 34 42.779 41.742 1.037 1
1 291 . 19 1 1 A 25 25 ASP N N 34 117.091 121.317 -4.226 1
1 292 . 19 1 1 A 26 26 PRO HA H 35 5.968 5.141 0.827 1
1 299 . 19 1 1 A 26 26 PRO CA C 35 62.827 62.927 -0.100 1
1 300 . 19 1 1 A 26 26 PRO CB C 35 35.132 32.882 2.250 1
1 303 . 19 1 1 A 27 27 PHE H H 36 9.284 8.852 0.432 1
1 304 . 19 1 1 A 27 27 PHE HA H 36 5.009 5.280 -0.271 1
1 312 . 19 1 1 A 27 27 PHE CA C 36 56.301 56.210 0.091 1
1 313 . 19 1 1 A 27 27 PHE CB C 36 42.689 41.252 1.437 1
1 317 . 19 1 1 A 27 27 PHE N N 36 120.090 118.675 1.415 1
1 318 . 19 1 1 A 28 28 ALA H H 37 8.408 8.687 -0.279 1
1 319 . 19 1 1 A 28 28 ALA HA H 37 5.481 5.351 0.130 1
1 323 . 19 1 1 A 28 28 ALA CA C 37 49.186 49.849 -0.663 1
1 324 . 19 1 1 A 28 28 ALA CB C 37 20.389 22.658 -2.269 1
1 325 . 19 1 1 A 28 28 ALA N N 37 122.433 121.391 1.042 1
1 326 . 19 1 1 A 29 29 LYS H H 38 9.617 9.003 0.614 1
1 327 . 19 1 1 A 29 29 LYS HA H 38 5.267 5.406 -0.139 1
1 335 . 19 1 1 A 29 29 LYS CA C 38 54.901 55.112 -0.211 1
1 336 . 19 1 1 A 29 29 LYS CB C 38 36.624 35.592 1.032 1
1 340 . 19 1 1 A 29 29 LYS N N 38 121.964 120.223 1.741 1
1 341 . 19 1 1 A 30 30 VAL H H 39 9.159 9.017 0.142 1
1 342 . 19 1 1 A 30 30 VAL HA H 39 4.494 4.706 -0.212 1
1 350 . 19 1 1 A 30 30 VAL CA C 39 61.335 62.105 -0.770 1
1 351 . 19 1 1 A 30 30 VAL CB C 39 34.954 32.254 2.700 1
1 354 . 19 1 1 A 30 30 VAL N N 39 124.497 126.991 -2.494 1
1 355 . 19 1 1 A 31 31 VAL H H 40 8.659 8.700 -0.041 1
1 356 . 19 1 1 A 31 31 VAL HA H 40 5.091 4.867 0.224 1
1 364 . 19 1 1 A 31 31 VAL CA C 40 59.898 59.660 0.238 1
1 365 . 19 1 1 A 31 31 VAL CB C 40 36.959 35.442 1.517 1
1 368 . 19 1 1 A 31 31 VAL N N 40 124.589 121.265 3.324 1
1 369 . 19 1 1 A 32 32 VAL H H 41 7.786 8.390 -0.604 1
1 370 . 19 1 1 A 32 32 VAL HA H 41 4.660 4.494 0.166 1
1 378 . 19 1 1 A 32 32 VAL CA C 41 62.268 61.153 1.115 1
1 379 . 19 1 1 A 32 32 VAL CB C 41 30.995 31.320 -0.325 1
1 382 . 19 1 1 A 32 32 VAL N N 41 125.385 126.467 -1.082 1
1 383 . 19 1 1 A 33 33 ASP H H 42 8.568 8.773 -0.205 1
1 384 . 19 1 1 A 33 33 ASP HA H 42 4.310 4.382 -0.072 1
1 386 . 19 1 1 A 33 33 ASP CA C 42 57.321 55.879 1.442 1
1 387 . 19 1 1 A 33 33 ASP CB C 42 40.727 40.217 0.510 1
1 388 . 19 1 1 A 33 33 ASP N N 42 130.868 128.323 2.545 1
1 389 . 19 1 1 A 34 34 GLY HA2 H 43 4.230 4.061 0.169 1
1 390 . 19 1 1 A 34 34 GLY HA3 H 43 3.818 4.066 -0.248 1
1 391 . 19 1 1 A 34 34 GLY CA C 43 46.510 45.101 1.409 1
1 392 . 19 1 1 A 35 35 SER H H 44 8.049 8.169 -0.120 1
1 393 . 19 1 1 A 35 35 SER HA H 44 4.928 4.344 0.584 1
1 396 . 19 1 1 A 35 35 SER CA C 44 58.067 60.624 -2.557 1
1 397 . 19 1 1 A 35 35 SER CB C 44 67.393 61.965 5.428 1
1 398 . 19 1 1 A 35 35 SER N N 44 115.029 113.684 1.345 1
1 399 . 19 1 1 A 36 36 GLY H H 45 8.637 8.706 -0.069 1
1 400 . 19 1 1 A 36 36 GLY HA2 H 45 4.338 3.985 0.353 1
1 401 . 19 1 1 A 36 36 GLY HA3 H 45 3.884 3.997 -0.113 1
1 402 . 19 1 1 A 36 36 GLY CA C 45 46.137 45.230 0.907 1
1 403 . 19 1 1 A 36 36 GLY N N 45 109.265 111.703 -2.438 1
1 404 . 19 1 1 A 37 37 GLN H H 46 8.329 7.959 0.370 1
1 405 . 19 1 1 A 37 37 GLN HA H 46 4.339 4.668 -0.329 1
1 412 . 19 1 1 A 37 37 GLN CA C 46 56.002 54.713 1.289 1
1 413 . 19 1 1 A 37 37 GLN CB C 46 30.241 30.889 -0.648 1
1 415 . 19 1 1 A 37 37 GLN N N 46 120.699 119.668 1.031 1
1 417 . 19 1 1 A 38 38 CYS H H 47 7.787 8.912 -1.125 1
1 418 . 19 1 1 A 38 38 CYS HA H 47 5.257 5.528 -0.271 1
1 420 . 19 1 1 A 38 38 CYS CA C 47 56.761 56.885 -0.124 1
1 421 . 19 1 1 A 38 38 CYS CB C 47 29.250 30.652 -1.402 1
1 422 . 19 1 1 A 38 38 CYS N N 47 124.214 124.854 -0.640 1
1 423 . 19 1 1 A 39 39 HIS H H 48 8.906 8.471 0.435 1
1 424 . 19 1 1 A 39 39 HIS HA H 48 4.730 5.039 -0.309 1
1 428 . 19 1 1 A 39 39 HIS CA C 48 54.888 53.971 0.917 1
1 429 . 19 1 1 A 39 39 HIS CB C 48 34.688 33.968 0.720 1
1 431 . 19 1 1 A 39 39 HIS N N 48 125.807 122.826 2.981 1
1 432 . 19 1 1 A 40 40 SER H H 49 8.728 8.506 0.222 1
1 433 . 19 1 1 A 40 40 SER HA H 49 5.732 5.441 0.291 1
1 436 . 19 1 1 A 40 40 SER CA C 49 57.041 57.256 -0.215 1
1 437 . 19 1 1 A 40 40 SER CB C 49 66.274 66.625 -0.351 1
1 438 . 19 1 1 A 40 40 SER N N 49 116.034 114.323 1.711 1
1 439 . 19 1 1 A 41 41 THR H H 50 9.212 8.832 0.380 1
1 440 . 19 1 1 A 41 41 THR HA H 50 4.477 5.046 -0.569 1
1 445 . 19 1 1 A 41 41 THR CA C 50 61.457 59.739 1.718 1
1 446 . 19 1 1 A 41 41 THR CB C 50 72.337 70.676 1.661 1
1 448 . 19 1 1 A 41 41 THR N N 50 115.404 112.710 2.694 1
1 449 . 19 1 1 A 42 42 ASP H H 51 9.424 8.708 0.716 1
1 450 . 19 1 1 A 42 42 ASP HA H 51 4.676 4.580 0.096 1
1 453 . 19 1 1 A 42 42 ASP CA C 51 54.996 54.410 0.586 1
1 454 . 19 1 1 A 42 42 ASP CB C 51 41.543 41.434 0.109 1
1 455 . 19 1 1 A 42 42 ASP N N 51 119.340 122.155 -2.815 1
1 456 . 19 1 1 A 43 43 THR H H 52 8.650 8.603 0.047 1
1 457 . 19 1 1 A 43 43 THR HA H 52 4.858 5.304 -0.446 1
1 462 . 19 1 1 A 43 43 THR CA C 52 62.637 62.252 0.385 1
1 463 . 19 1 1 A 43 43 THR CB C 52 70.191 70.392 -0.201 1
1 465 . 19 1 1 A 43 43 THR N N 52 117.836 117.296 0.540 1
1 466 . 19 1 1 A 44 44 VAL H H 53 8.266 8.997 -0.731 1
1 467 . 19 1 1 A 44 44 VAL HA H 53 4.363 4.759 -0.396 1
1 475 . 19 1 1 A 44 44 VAL CA C 53 61.086 60.657 0.429 1
1 476 . 19 1 1 A 44 44 VAL CB C 53 33.361 33.177 0.184 1
1 479 . 19 1 1 A 44 44 VAL N N 53 127.775 123.104 4.671 1
1 480 . 19 1 1 A 45 45 LYS H H 54 8.163 8.606 -0.443 1
1 481 . 19 1 1 A 45 45 LYS HA H 54 4.229 5.033 -0.804 1
1 487 . 19 1 1 A 45 45 LYS CA C 54 56.627 54.968 1.659 1
1 488 . 19 1 1 A 45 45 LYS CB C 54 33.739 33.990 -0.251 1
1 492 . 19 1 1 A 45 45 LYS N N 54 120.934 122.317 -1.383 1
1 493 . 19 1 1 A 46 46 ASN H H 55 9.642 8.987 0.655 1
1 494 . 19 1 1 A 46 46 ASN HA H 55 4.150 4.644 -0.494 1
1 499 . 19 1 1 A 46 46 ASN CA C 55 54.029 53.813 0.216 1
1 500 . 19 1 1 A 46 46 ASN CB C 55 38.668 36.088 2.580 1
1 501 . 19 1 1 A 46 46 ASN N N 55 121.215 121.800 -0.585 1
1 503 . 19 1 1 A 47 47 THR H H 56 8.246 7.928 0.318 1
1 504 . 19 1 1 A 47 47 THR HA H 56 4.661 4.806 -0.145 1
1 509 . 19 1 1 A 47 47 THR CA C 56 60.963 60.427 0.536 1
1 510 . 19 1 1 A 47 47 THR CB C 56 68.512 70.083 -1.571 1
1 512 . 19 1 1 A 47 47 THR N N 56 111.936 117.738 -5.802 1
1 513 . 19 1 1 A 48 48 LEU H H 57 8.245 8.518 -0.273 1
1 514 . 19 1 1 A 48 48 LEU HA H 57 4.410 4.620 -0.210 1
1 524 . 19 1 1 A 48 48 LEU CA C 57 53.641 53.786 -0.145 1
1 525 . 19 1 1 A 48 48 LEU CB C 57 41.570 41.800 -0.230 1
1 529 . 19 1 1 A 48 48 LEU N N 57 122.433 124.711 -2.278 1
1 530 . 19 1 1 A 49 49 ASP H H 58 8.544 7.846 0.698 1
1 531 . 19 1 1 A 49 49 ASP HA H 58 5.419 4.977 0.442 1
1 534 . 19 1 1 A 49 49 ASP CA C 58 51.826 51.762 0.064 1
1 535 . 19 1 1 A 49 49 ASP CB C 58 44.085 40.688 3.397 1
1 536 . 19 1 1 A 49 49 ASP N N 58 116.903 117.362 -0.459 1
1 537 . 19 1 1 A 50 50 PRO HA H 59 3.790 4.453 -0.663 1
1 543 . 19 1 1 A 50 50 PRO CA C 59 63.219 62.037 1.182 1
1 544 . 19 1 1 A 50 50 PRO CB C 59 32.661 32.922 -0.261 1
1 547 . 19 1 1 A 51 51 LYS H H 60 7.806 7.904 -0.098 1
1 548 . 19 1 1 A 51 51 LYS HA H 60 4.224 4.719 -0.495 1
1 555 . 19 1 1 A 51 51 LYS CA C 60 55.521 54.835 0.686 1
1 556 . 19 1 1 A 51 51 LYS CB C 60 33.826 35.967 -2.141 1
1 560 . 19 1 1 A 51 51 LYS N N 60 119.996 116.787 3.209 1
1 561 . 19 1 1 A 52 52 TRP H H 61 7.791 8.285 -0.494 1
1 562 . 19 1 1 A 52 52 TRP HA H 61 4.824 4.852 -0.028 1
1 570 . 19 1 1 A 52 52 TRP CA C 61 60.590 57.816 2.774 1
1 571 . 19 1 1 A 52 52 TRP CB C 61 29.715 31.268 -1.553 1
1 576 . 19 1 1 A 52 52 TRP N N 61 122.386 120.616 1.770 1
1 578 . 19 1 1 A 53 53 ASN H H 62 9.040 8.217 0.823 1
1 579 . 19 1 1 A 53 53 ASN HA H 62 4.419 4.371 0.048 1
1 584 . 19 1 1 A 53 53 ASN CA C 62 53.789 54.136 -0.347 1
1 585 . 19 1 1 A 53 53 ASN CB C 62 37.922 37.429 0.493 1
1 586 . 19 1 1 A 53 53 ASN N N 62 117.185 118.582 -1.397 1
1 588 . 19 1 1 A 54 54 GLN H H 63 7.512 7.230 0.282 1
1 589 . 19 1 1 A 54 54 GLN HA H 63 4.584 4.717 -0.133 1
1 596 . 19 1 1 A 54 54 GLN CA C 63 55.008 54.151 0.857 1
1 597 . 19 1 1 A 54 54 GLN CB C 63 34.938 31.189 3.749 1
1 599 . 19 1 1 A 54 54 GLN N N 63 116.341 117.093 -0.752 1
1 601 . 19 1 1 A 55 55 HIS H H 64 7.782 8.017 -0.235 1
1 602 . 19 1 1 A 55 55 HIS HA H 64 5.796 5.844 -0.048 1
1 606 . 19 1 1 A 55 55 HIS CA C 64 53.059 53.157 -0.098 1
1 607 . 19 1 1 A 55 55 HIS CB C 64 34.378 33.091 1.287 1
1 609 . 19 1 1 A 55 55 HIS N N 64 118.403 117.579 0.824 1
1 610 . 19 1 1 A 56 56 TYR H H 65 8.657 8.620 0.037 1
1 611 . 19 1 1 A 56 56 TYR HA H 65 4.404 4.883 -0.479 1
1 618 . 19 1 1 A 56 56 TYR CA C 65 57.430 56.232 1.198 1
1 619 . 19 1 1 A 56 56 TYR CB C 65 42.958 41.630 1.328 1
1 622 . 19 1 1 A 56 56 TYR N N 65 116.435 119.754 -3.319 1
1 623 . 19 1 1 A 57 57 ASP H H 66 8.772 8.920 -0.148 1
1 624 . 19 1 1 A 57 57 ASP HA H 66 5.283 5.655 -0.372 1
1 627 . 19 1 1 A 57 57 ASP CA C 66 54.250 52.583 1.667 1
1 628 . 19 1 1 A 57 57 ASP CB C 66 40.914 41.907 -0.993 1
1 629 . 19 1 1 A 57 57 ASP N N 66 124.776 122.924 1.852 1
1 630 . 19 1 1 A 58 58 LEU H H 67 9.175 8.522 0.653 1
1 631 . 19 1 1 A 58 58 LEU HA H 67 4.589 4.646 -0.057 1
1 641 . 19 1 1 A 58 58 LEU CA C 67 53.131 53.250 -0.119 1
1 642 . 19 1 1 A 58 58 LEU CB C 67 45.060 44.218 0.842 1
1 645 . 19 1 1 A 58 58 LEU N N 67 124.558 125.896 -1.338 1
1 646 . 19 1 1 A 59 59 TYR H H 68 8.877 8.613 0.264 1
1 647 . 19 1 1 A 59 59 TYR HA H 68 5.096 5.461 -0.365 1
1 654 . 19 1 1 A 59 59 TYR CA C 68 57.606 57.400 0.206 1
1 655 . 19 1 1 A 59 59 TYR CB C 68 39.422 40.520 -1.098 1
1 658 . 19 1 1 A 59 59 TYR N N 68 121.215 121.306 -0.091 1
1 659 . 19 1 1 A 60 60 ILE H H 69 9.162 9.050 0.112 1
1 660 . 19 1 1 A 60 60 ILE HA H 69 4.551 4.667 -0.116 1
1 670 . 19 1 1 A 60 60 ILE CA C 69 59.471 60.027 -0.556 1
1 671 . 19 1 1 A 60 60 ILE CB C 69 40.500 39.934 0.566 1
1 675 . 19 1 1 A 60 60 ILE N N 69 124.823 122.625 2.198 1
1 676 . 19 1 1 A 61 61 GLY H H 70 9.960 8.787 1.173 1
1 677 . 19 1 1 A 61 61 GLY HA2 H 70 4.517 4.106 0.411 1
1 678 . 19 1 1 A 61 61 GLY HA3 H 70 3.881 4.108 -0.227 1
1 679 . 19 1 1 A 61 61 GLY CA C 70 44.083 44.524 -0.441 1
1 680 . 19 1 1 A 61 61 GLY N N 70 117.841 114.876 2.965 1
1 681 . 19 1 1 A 62 62 LYS H H 71 8.605 8.685 -0.080 1
1 682 . 19 1 1 A 62 62 LYS HA H 71 4.090 4.153 -0.063 1
1 687 . 19 1 1 A 62 62 LYS CA C 71 59.447 58.938 0.509 1
1 688 . 19 1 1 A 62 62 LYS CB C 71 33.453 31.921 1.532 1
1 692 . 19 1 1 A 62 62 LYS N N 71 119.434 119.100 0.334 1
1 693 . 19 1 1 A 63 63 SER H H 72 8.544 7.995 0.549 1
1 694 . 19 1 1 A 63 63 SER HA H 72 4.811 4.724 0.087 1
1 696 . 19 1 1 A 63 63 SER CA C 72 57.606 56.795 0.811 1
1 697 . 19 1 1 A 63 63 SER CB C 72 64.013 63.127 0.886 1
1 698 . 19 1 1 A 63 63 SER N N 72 111.842 110.134 1.708 1
1 699 . 19 1 1 A 64 64 ASP H H 73 7.247 8.955 -1.708 1
1 700 . 19 1 1 A 64 64 ASP HA H 73 4.867 5.543 -0.676 1
1 702 . 19 1 1 A 64 64 ASP CA C 73 55.500 52.831 2.669 1
1 703 . 19 1 1 A 64 64 ASP CB C 73 43.331 44.989 -1.658 1
1 704 . 19 1 1 A 64 64 ASP N N 73 121.964 124.899 -2.935 1
1 705 . 19 1 1 A 65 65 SER H H 74 8.742 8.760 -0.018 1
1 706 . 19 1 1 A 65 65 SER HA H 74 5.074 5.262 -0.188 1
1 708 . 19 1 1 A 65 65 SER CA C 74 56.301 56.973 -0.672 1
1 709 . 19 1 1 A 65 65 SER CB C 74 67.579 66.190 1.389 1
1 710 . 19 1 1 A 65 65 SER N N 74 111.936 115.438 -3.502 1
1 711 . 19 1 1 A 66 66 VAL H H 75 8.622 8.442 0.180 1
1 712 . 19 1 1 A 66 66 VAL HA H 75 5.095 4.986 0.109 1
1 720 . 19 1 1 A 66 66 VAL CA C 75 60.217 60.663 -0.446 1
1 721 . 19 1 1 A 66 66 VAL CB C 75 36.617 34.570 2.047 1
1 724 . 19 1 1 A 66 66 VAL N N 75 119.422 122.065 -2.643 1
1 725 . 19 1 1 A 67 67 THR H H 76 9.152 8.849 0.303 1
1 726 . 19 1 1 A 67 67 THR HA H 76 5.199 4.976 0.223 1
1 731 . 19 1 1 A 67 67 THR CA C 76 63.014 61.953 1.061 1
1 732 . 19 1 1 A 67 67 THR CB C 76 69.703 71.272 -1.569 1
1 734 . 19 1 1 A 67 67 THR N N 76 123.839 123.247 0.592 1
1 735 . 19 1 1 A 68 68 ILE H H 77 9.106 8.931 0.175 1
1 736 . 19 1 1 A 68 68 ILE HA H 77 5.389 4.755 0.634 1
1 746 . 19 1 1 A 68 68 ILE CA C 77 59.844 60.406 -0.562 1
1 747 . 19 1 1 A 68 68 ILE CB C 77 40.347 38.808 1.539 1
1 751 . 19 1 1 A 68 68 ILE N N 77 129.275 129.720 -0.445 1
1 752 . 19 1 1 A 69 69 SER H H 78 9.645 8.899 0.746 1
1 753 . 19 1 1 A 69 69 SER HA H 78 5.265 5.417 -0.152 1
1 756 . 19 1 1 A 69 69 SER CA C 78 56.114 55.630 0.484 1
1 757 . 19 1 1 A 69 69 SER CB C 78 66.087 66.509 -0.422 1
1 758 . 19 1 1 A 69 69 SER N N 78 120.559 121.058 -0.499 1
1 759 . 19 1 1 A 70 70 VAL H H 79 8.482 8.027 0.455 1
1 760 . 19 1 1 A 70 70 VAL HA H 79 4.676 4.899 -0.223 1
1 768 . 19 1 1 A 70 70 VAL CA C 79 60.852 60.526 0.326 1
1 769 . 19 1 1 A 70 70 VAL CB C 79 32.992 35.072 -2.080 1
1 772 . 19 1 1 A 70 70 VAL N N 79 121.777 120.020 1.757 1
1 773 . 19 1 1 A 71 71 TRP H H 80 8.627 8.483 0.144 1
1 774 . 19 1 1 A 71 71 TRP HA H 80 4.930 4.932 -0.002 1
1 783 . 19 1 1 A 71 71 TRP CA C 80 55.182 54.975 0.207 1
1 784 . 19 1 1 A 71 71 TRP CB C 80 34.058 33.457 0.601 1
1 790 . 19 1 1 A 71 71 TRP N N 80 124.474 126.178 -1.704 1
1 792 . 19 1 1 A 72 72 ASN H H 81 9.891 9.238 0.653 1
1 793 . 19 1 1 A 72 72 ASN HA H 81 4.789 5.115 -0.326 1
1 798 . 19 1 1 A 72 72 ASN CA C 81 51.049 52.981 -1.932 1
1 799 . 19 1 1 A 72 72 ASN CB C 81 39.091 38.044 1.047 1
1 800 . 19 1 1 A 72 72 ASN N N 81 116.435 121.594 -5.159 1
1 802 . 19 1 1 A 73 73 HIS H H 82 9.967 9.167 0.800 1
1 803 . 19 1 1 A 73 73 HIS HA H 82 4.499 4.441 0.058 1
1 806 . 19 1 1 A 73 73 HIS CA C 82 60.788 60.653 0.135 1
1 807 . 19 1 1 A 73 73 HIS CB C 82 32.327 30.720 1.607 1
1 808 . 19 1 1 A 73 73 HIS N N 82 127.963 125.793 2.170 1
1 809 . 19 1 1 A 74 74 LYS H H 83 7.764 8.436 -0.672 1
1 810 . 19 1 1 A 74 74 LYS HA H 83 4.297 3.958 0.339 1
1 817 . 19 1 1 A 74 74 LYS CA C 83 59.232 60.063 -0.831 1
1 818 . 19 1 1 A 74 74 LYS CB C 83 33.640 32.573 1.067 1
1 822 . 19 1 1 A 74 74 LYS N N 83 112.592 119.262 -6.670 1
1 823 . 19 1 1 A 75 75 LYS H H 84 7.626 7.836 -0.210 1
1 824 . 19 1 1 A 75 75 LYS HA H 84 4.607 4.208 0.399 1
1 832 . 19 1 1 A 75 75 LYS CA C 84 55.828 58.991 -3.163 1
1 833 . 19 1 1 A 75 75 LYS CB C 84 36.064 32.016 4.048 1
1 837 . 19 1 1 A 75 75 LYS N N 84 114.560 119.115 -4.555 1
1 838 . 19 1 1 A 76 76 ILE H H 85 7.021 8.200 -1.179 1
1 839 . 19 1 1 A 76 76 ILE HA H 85 4.132 4.097 0.035 1
1 849 . 19 1 1 A 76 76 ILE CA C 85 64.013 64.278 -0.265 1
1 850 . 19 1 1 A 76 76 ILE CB C 85 39.146 37.526 1.620 1
1 854 . 19 1 1 A 76 76 ILE N N 85 113.811 117.219 -3.408 1
1 855 . 19 1 1 A 77 77 HIS H H 86 8.335 7.647 0.688 1
1 856 . 19 1 1 A 77 77 HIS HA H 86 4.612 4.197 0.415 1
1 859 . 19 1 1 A 77 77 HIS CA C 86 56.815 59.313 -2.498 1
1 860 . 19 1 1 A 77 77 HIS CB C 86 30.461 29.824 0.637 1
1 862 . 19 1 1 A 77 77 HIS N N 86 117.841 123.068 -5.227 1
1 863 . 19 1 1 A 78 78 LYS H H 87 7.587 7.341 0.246 1
1 864 . 19 1 1 A 78 78 LYS HA H 87 4.094 4.085 0.009 1
1 870 . 19 1 1 A 78 78 LYS CA C 87 57.628 56.723 0.905 1
1 871 . 19 1 1 A 78 78 LYS CB C 87 32.893 32.638 0.255 1
1 875 . 19 1 1 A 78 78 LYS N N 87 120.652 118.211 2.441 1
1 876 . 19 1 1 A 79 79 LYS H H 88 7.585 8.009 -0.424 1
1 877 . 19 1 1 A 79 79 LYS HA H 88 4.304 4.392 -0.088 1
1 883 . 19 1 1 A 79 79 LYS CA C 88 56.467 58.386 -1.919 1
1 884 . 19 1 1 A 79 79 LYS CB C 88 34.013 31.189 2.824 1
1 888 . 19 1 1 A 79 79 LYS N N 88 115.872 116.762 -0.890 1
1 889 . 19 1 1 A 80 80 GLN H H 89 8.625 8.701 -0.076 1
1 890 . 19 1 1 A 80 80 GLN HA H 89 4.192 4.063 0.129 1
1 893 . 19 1 1 A 80 80 GLN CA C 89 57.590 57.952 -0.362 1
1 894 . 19 1 1 A 80 80 GLN CB C 89 28.331 27.347 0.984 1
1 896 . 19 1 1 A 80 80 GLN N N 89 121.308 117.889 3.419 1
1 897 . 19 1 1 A 81 81 GLY H H 90 8.791 8.794 -0.003 1
1 898 . 19 1 1 A 81 81 GLY HA2 H 90 4.332 3.888 0.444 1
1 899 . 19 1 1 A 81 81 GLY HA3 H 90 3.850 3.917 -0.067 1
1 900 . 19 1 1 A 81 81 GLY CA C 90 45.950 46.880 -0.930 1
1 901 . 19 1 1 A 81 81 GLY N N 90 112.984 110.967 2.017 1
1 902 . 19 1 1 A 82 82 ALA H H 91 7.951 7.576 0.375 1
1 903 . 19 1 1 A 82 82 ALA HA H 91 4.485 4.112 0.373 1
1 907 . 19 1 1 A 82 82 ALA CA C 91 53.404 53.942 -0.538 1
1 908 . 19 1 1 A 82 82 ALA CB C 91 20.762 18.450 2.312 1
1 909 . 19 1 1 A 82 82 ALA N N 91 123.745 122.873 0.872 1
1 910 . 19 1 1 A 83 83 GLY H H 92 8.860 8.930 -0.070 1
1 911 . 19 1 1 A 83 83 GLY HA2 H 92 4.270 4.187 0.083 1
1 912 . 19 1 1 A 83 83 GLY HA3 H 92 4.262 4.263 -0.001 1
1 913 . 19 1 1 A 83 83 GLY CA C 92 46.689 45.578 1.111 1
1 914 . 19 1 1 A 83 83 GLY N N 92 105.564 111.104 -5.540 1
1 915 . 19 1 1 A 84 84 PHE H H 93 8.113 8.029 0.084 1
1 916 . 19 1 1 A 84 84 PHE HA H 93 3.440 4.294 -0.854 1
1 924 . 19 1 1 A 84 84 PHE CA C 93 59.932 57.297 2.635 1
1 925 . 19 1 1 A 84 84 PHE CB C 93 39.141 39.791 -0.650 1
1 929 . 19 1 1 A 84 84 PHE N N 93 121.215 121.104 0.111 1
1 930 . 19 1 1 A 85 85 LEU H H 94 8.204 7.751 0.453 1
1 931 . 19 1 1 A 85 85 LEU HA H 94 4.334 4.033 0.301 1
1 938 . 19 1 1 A 85 85 LEU CA C 94 53.569 55.400 -1.831 1
1 939 . 19 1 1 A 85 85 LEU CB C 94 43.255 42.427 0.828 1
1 942 . 19 1 1 A 85 85 LEU N N 94 125.432 126.711 -1.279 1
1 943 . 19 1 1 A 86 86 GLY HA2 H 95 4.222 4.060 0.162 1
1 944 . 19 1 1 A 86 86 GLY HA3 H 95 3.147 4.125 -0.978 1
1 945 . 19 1 1 A 86 86 GLY CA C 95 45.570 44.187 1.383 1
1 946 . 19 1 1 A 87 87 CYS H H 96 9.230 8.559 0.671 1
1 947 . 19 1 1 A 87 87 CYS HA H 96 5.838 5.373 0.465 1
1 949 . 19 1 1 A 87 87 CYS CA C 96 55.882 57.606 -1.724 1
1 950 . 19 1 1 A 87 87 CYS CB C 96 33.259 29.319 3.940 1
1 951 . 19 1 1 A 87 87 CYS N N 96 114.935 121.349 -6.414 1
1 952 . 19 1 1 A 88 88 VAL H H 97 9.242 9.102 0.140 1
1 953 . 19 1 1 A 88 88 VAL HA H 97 4.575 4.836 -0.261 1
1 961 . 19 1 1 A 88 88 VAL CA C 97 61.769 60.278 1.491 1
1 962 . 19 1 1 A 88 88 VAL CB C 97 35.684 33.935 1.749 1
1 965 . 19 1 1 A 88 88 VAL N N 97 115.966 125.705 -9.739 1
1 966 . 19 1 1 A 89 89 ARG H H 98 8.665 8.920 -0.255 1
1 967 . 19 1 1 A 89 89 ARG HA H 98 5.166 5.103 0.063 1
1 973 . 19 1 1 A 89 89 ARG CA C 98 54.929 54.605 0.324 1
1 974 . 19 1 1 A 89 89 ARG CB C 98 31.961 32.942 -0.981 1
1 977 . 19 1 1 A 89 89 ARG N N 98 125.526 128.617 -3.091 1
1 978 . 19 1 1 A 90 90 LEU H H 99 9.611 8.664 0.947 1
1 979 . 19 1 1 A 90 90 LEU HA H 99 4.644 5.205 -0.561 1
1 989 . 19 1 1 A 90 90 LEU CA C 99 53.217 52.896 0.321 1
1 990 . 19 1 1 A 90 90 LEU CB C 99 43.339 45.078 -1.739 1
1 994 . 19 1 1 A 90 90 LEU N N 99 127.119 125.405 1.714 1
1 995 . 19 1 1 A 91 91 LEU H H 100 7.953 8.608 -0.655 1
1 996 . 19 1 1 A 91 91 LEU HA H 100 4.540 4.683 -0.143 1
1 1005 . 19 1 1 A 91 91 LEU CA C 100 54.523 53.896 0.627 1
1 1006 . 19 1 1 A 91 91 LEU CB C 100 42.593 42.411 0.182 1
1 1010 . 19 1 1 A 91 91 LEU N N 100 122.527 124.700 -2.173 1
1 1011 . 19 1 1 A 92 92 SER H H 101 8.754 8.839 -0.085 1
1 1012 . 19 1 1 A 92 92 SER HA H 101 3.950 4.160 -0.210 1
1 1013 . 19 1 1 A 92 92 SER CA C 101 63.171 61.719 1.452 1
1 1014 . 19 1 1 A 92 92 SER N N 101 115.966 116.148 -0.182 1
1 1015 . 19 1 1 A 93 93 ASN H H 102 7.765 8.245 -0.480 1
1 1016 . 19 1 1 A 93 93 ASN HA H 102 4.500 4.477 0.023 1
1 1020 . 19 1 1 A 93 93 ASN CA C 102 56.487 56.200 0.287 1
1 1021 . 19 1 1 A 93 93 ASN CB C 102 37.514 38.179 -0.665 1
1 1022 . 19 1 1 A 93 93 ASN N N 102 116.950 120.800 -3.850 1
1 1024 . 19 1 1 A 94 94 ALA H H 103 7.345 7.819 -0.474 1
1 1025 . 19 1 1 A 94 94 ALA HA H 103 4.230 4.094 0.136 1
1 1029 . 19 1 1 A 94 94 ALA CA C 103 54.843 55.220 -0.377 1
1 1030 . 19 1 1 A 94 94 ALA CB C 103 19.643 17.987 1.656 1
1 1031 . 19 1 1 A 94 94 ALA N N 103 124.495 122.226 2.269 1
1 1032 . 19 1 1 A 95 95 ILE H H 104 8.322 8.199 0.123 1
1 1033 . 19 1 1 A 95 95 ILE HA H 104 3.280 3.629 -0.349 1
1 1043 . 19 1 1 A 95 95 ILE CA C 104 66.184 64.736 1.448 1
1 1044 . 19 1 1 A 95 95 ILE CB C 104 37.922 37.232 0.690 1
1 1048 . 19 1 1 A 95 95 ILE N N 104 119.310 119.307 0.003 1
1 1049 . 19 1 1 A 96 96 ASN H H 105 7.815 8.169 -0.354 1
1 1050 . 19 1 1 A 96 96 ASN HA H 105 4.332 4.386 -0.054 1
1 1052 . 19 1 1 A 96 96 ASN CA C 105 56.487 56.653 -0.166 1
1 1053 . 19 1 1 A 96 96 ASN CB C 105 38.855 39.010 -0.155 1
1 1054 . 19 1 1 A 96 96 ASN N N 105 114.748 120.393 -5.645 1
1 1055 . 19 1 1 A 97 97 ARG H H 106 7.595 7.794 -0.199 1
1 1056 . 19 1 1 A 97 97 ARG HA H 106 4.257 4.075 0.182 1
1 1061 . 19 1 1 A 97 97 ARG CA C 106 58.294 58.949 -0.655 1
1 1062 . 19 1 1 A 97 97 ARG CB C 106 31.401 29.732 1.669 1
1 1065 . 19 1 1 A 97 97 ARG N N 106 117.934 118.918 -0.984 1
1 1066 . 19 1 1 A 98 98 LEU H H 107 8.179 8.466 -0.287 1
1 1067 . 19 1 1 A 98 98 LEU HA H 107 4.288 4.232 0.056 1
1 1077 . 19 1 1 A 98 98 LEU CA C 107 55.735 57.887 -2.152 1
1 1078 . 19 1 1 A 98 98 LEU CB C 107 44.264 41.132 3.132 1
1 1082 . 19 1 1 A 98 98 LEU N N 107 116.341 119.429 -3.088 1
1 1083 . 19 1 1 A 99 99 LYS H H 108 8.058 8.676 -0.618 1
1 1084 . 19 1 1 A 99 99 LYS HA H 108 4.078 4.063 0.015 1
1 1091 . 19 1 1 A 99 99 LYS CA C 108 58.256 58.893 -0.637 1
1 1092 . 19 1 1 A 99 99 LYS CB C 108 32.520 31.822 0.698 1
1 1096 . 19 1 1 A 99 99 LYS N N 108 123.558 117.884 5.674 1
1 1097 . 19 1 1 A 100 100 ASP H H 109 9.305 7.612 1.693 1
1 1098 . 19 1 1 A 100 100 ASP HA H 109 4.672 4.517 0.155 1
1 1101 . 19 1 1 A 100 100 ASP CA C 109 57.047 56.096 0.951 1
1 1102 . 19 1 1 A 100 100 ASP CB C 109 39.041 40.815 -1.774 1
1 1103 . 19 1 1 A 100 100 ASP N N 109 115.779 119.235 -3.456 1
1 1104 . 19 1 1 A 101 101 THR H H 110 7.546 7.771 -0.225 1
1 1105 . 19 1 1 A 101 101 THR HA H 110 4.675 4.164 0.511 1
1 1110 . 19 1 1 A 101 101 THR CA C 110 61.895 63.646 -1.751 1
1 1111 . 19 1 1 A 101 101 THR CB C 110 70.432 69.706 0.726 1
1 1113 . 19 1 1 A 101 101 THR N N 110 129.087 109.805 19.282 1
1 1114 . 19 1 1 A 102 102 GLY H H 111 8.921 8.249 0.672 1
1 1115 . 19 1 1 A 102 102 GLY HA2 H 111 4.337 3.749 0.588 1
1 1116 . 19 1 1 A 102 102 GLY HA3 H 111 3.563 3.765 -0.202 1
1 1117 . 19 1 1 A 102 102 GLY CA C 111 44.062 45.335 -1.273 1
1 1118 . 19 1 1 A 102 102 GLY N N 111 112.780 110.889 1.891 1
1 1119 . 19 1 1 A 103 103 TYR H H 112 8.255 8.014 0.241 1
1 1120 . 19 1 1 A 103 103 TYR HA H 112 4.574 5.513 -0.939 1
1 1127 . 19 1 1 A 103 103 TYR CA C 112 59.745 56.527 3.218 1
1 1128 . 19 1 1 A 103 103 TYR CB C 112 38.295 41.438 -3.143 1
1 1131 . 19 1 1 A 103 103 TYR N N 112 117.653 118.551 -0.898 1
1 1132 . 19 1 1 A 104 104 GLN H H 113 9.435 9.054 0.381 1
1 1133 . 19 1 1 A 104 104 GLN HA H 113 4.659 5.016 -0.357 1
1 1140 . 19 1 1 A 104 104 GLN CA C 113 53.852 54.462 -0.610 1
1 1141 . 19 1 1 A 104 104 GLN CB C 113 31.128 31.545 -0.417 1
1 1143 . 19 1 1 A 104 104 GLN N N 113 121.964 123.715 -1.751 1
1 1145 . 19 1 1 A 105 105 ARG H H 114 8.670 8.874 -0.204 1
1 1146 . 19 1 1 A 105 105 ARG HA H 114 4.838 5.118 -0.280 1
1 1151 . 19 1 1 A 105 105 ARG CA C 114 55.090 55.079 0.011 1
1 1152 . 19 1 1 A 105 105 ARG CB C 114 31.401 30.943 0.458 1
1 1155 . 19 1 1 A 105 105 ARG N N 114 122.246 124.708 -2.462 1
1 1156 . 19 1 1 A 106 106 LEU H H 115 9.269 8.716 0.553 1
1 1157 . 19 1 1 A 106 106 LEU HA H 115 4.843 4.840 0.003 1
1 1163 . 19 1 1 A 106 106 LEU CA C 115 53.317 53.708 -0.391 1
1 1164 . 19 1 1 A 106 106 LEU CB C 115 44.570 42.971 1.599 1
1 1166 . 19 1 1 A 106 106 LEU N N 115 126.088 125.803 0.285 1
1 1167 . 19 1 1 A 107 107 ASP H H 116 8.582 8.768 -0.186 1
1 1168 . 19 1 1 A 107 107 ASP HA H 116 4.748 4.629 0.119 1
1 1171 . 19 1 1 A 107 107 ASP CA C 116 55.402 54.374 1.028 1
1 1172 . 19 1 1 A 107 107 ASP CB C 116 41.280 41.173 0.107 1
1 1173 . 19 1 1 A 107 107 ASP N N 116 122.714 126.105 -3.391 1
1 1174 . 19 1 1 A 108 108 LEU H H 117 8.067 8.697 -0.630 1
1 1175 . 19 1 1 A 108 108 LEU HA H 117 4.195 5.114 -0.919 1
1 1185 . 19 1 1 A 108 108 LEU CA C 117 55.308 53.667 1.641 1
1 1186 . 19 1 1 A 108 108 LEU CB C 117 42.871 43.402 -0.531 1
1 1190 . 19 1 1 A 108 108 LEU N N 117 121.121 123.777 -2.656 1
1 1191 . 19 1 1 A 109 109 CYS H H 118 9.705 8.811 0.894 1
1 1192 . 19 1 1 A 109 109 CYS HA H 118 4.839 4.986 -0.147 1
1 1195 . 19 1 1 A 109 109 CYS CA C 118 57.979 57.119 0.860 1
1 1196 . 19 1 1 A 109 109 CYS CB C 118 31.953 31.247 0.706 1
1 1197 . 19 1 1 A 109 109 CYS N N 118 118.403 121.126 -2.723 1
1 1198 . 19 1 1 A 110 110 LYS H H 119 8.419 8.350 0.069 1
1 1199 . 19 1 1 A 110 110 LYS HA H 119 4.426 4.528 -0.102 1
1 1207 . 19 1 1 A 110 110 LYS CA C 119 56.957 56.550 0.407 1
1 1208 . 19 1 1 A 110 110 LYS CB C 119 34.386 33.071 1.315 1
1 1212 . 19 1 1 A 110 110 LYS N N 119 120.090 119.645 0.445 1
1 1213 . 19 1 1 A 111 111 LEU H H 120 9.016 8.043 0.973 1
1 1214 . 19 1 1 A 111 111 LEU HA H 120 4.054 3.905 0.149 1
1 1223 . 19 1 1 A 111 111 LEU CA C 120 57.694 56.333 1.361 1
1 1224 . 19 1 1 A 111 111 LEU CB C 120 43.062 42.075 0.987 1
1 1227 . 19 1 1 A 111 111 LEU N N 120 123.089 121.780 1.309 1
1 1228 . 19 1 1 A 112 112 GLY H H 121 7.578 7.185 0.393 1
1 1229 . 19 1 1 A 112 112 GLY HA2 H 121 4.320 4.074 0.246 1
1 1230 . 19 1 1 A 112 112 GLY HA3 H 121 3.863 4.083 -0.220 1
1 1231 . 19 1 1 A 112 112 GLY CA C 121 44.644 44.663 -0.019 1
1 1232 . 19 1 1 A 112 112 GLY N N 121 105.939 105.124 0.815 1
1 1233 . 19 1 1 A 113 113 PRO HA H 122 4.365 4.220 0.145 1
1 1240 . 19 1 1 A 113 113 PRO CA C 122 64.692 63.694 0.998 1
1 1241 . 19 1 1 A 113 113 PRO CB C 122 32.663 31.968 0.695 1
1 1244 . 19 1 1 A 114 114 ASN H H 123 8.603 8.824 -0.221 1
1 1245 . 19 1 1 A 114 114 ASN HA H 123 4.899 4.318 0.581 1
1 1250 . 19 1 1 A 114 114 ASN CA C 123 52.944 55.116 -2.172 1
1 1251 . 19 1 1 A 114 114 ASN CB C 123 39.041 37.296 1.745 1
1 1252 . 19 1 1 A 114 114 ASN N N 123 115.591 115.182 0.409 1
1 1254 . 19 1 1 A 115 115 ASP H H 124 7.507 7.698 -0.191 1
1 1255 . 19 1 1 A 115 115 ASP HA H 124 4.507 4.726 -0.219 1
1 1258 . 19 1 1 A 115 115 ASP CA C 124 54.843 53.070 1.773 1
1 1259 . 19 1 1 A 115 115 ASP CB C 124 41.620 40.916 0.704 1
1 1260 . 19 1 1 A 115 115 ASP N N 124 121.215 118.519 2.696 1
1 1261 . 19 1 1 A 116 116 ASN H H 125 8.741 7.662 1.079 1
1 1262 . 19 1 1 A 116 116 ASN HA H 125 4.823 4.556 0.267 1
1 1267 . 19 1 1 A 116 116 ASN CA C 125 53.447 53.955 -0.508 1
1 1268 . 19 1 1 A 116 116 ASN CB C 125 43.830 38.708 5.122 1
1 1269 . 19 1 1 A 116 116 ASN N N 125 120.137 118.432 1.705 1
1 1271 . 19 1 1 A 117 117 ASP H H 126 8.039 8.617 -0.578 1
1 1272 . 19 1 1 A 117 117 ASP HA H 126 4.745 4.927 -0.182 1
1 1274 . 19 1 1 A 117 117 ASP CA C 126 54.436 52.779 1.657 1
1 1275 . 19 1 1 A 117 117 ASP CB C 126 42.046 41.986 0.060 1
1 1276 . 19 1 1 A 117 117 ASP N N 126 120.746 124.777 -4.031 1
1 1277 . 19 1 1 A 118 118 THR H H 127 8.361 8.069 0.292 1
1 1278 . 19 1 1 A 118 118 THR HA H 127 4.331 3.978 0.353 1
1 1283 . 19 1 1 A 118 118 THR CA C 127 62.454 62.795 -0.341 1
1 1284 . 19 1 1 A 118 118 THR CB C 127 70.191 66.364 3.827 1
1 1286 . 19 1 1 A 118 118 THR N N 127 116.903 111.172 5.731 1
1 1287 . 19 1 1 A 119 119 VAL H H 128 8.152 7.798 0.354 1
1 1288 . 19 1 1 A 119 119 VAL HA H 128 4.172 4.900 -0.728 1
1 1296 . 19 1 1 A 119 119 VAL CA C 128 61.051 59.530 1.521 1
1 1297 . 19 1 1 A 119 119 VAL CB C 128 35.124 35.561 -0.437 1
1 1300 . 19 1 1 A 119 119 VAL N N 128 119.903 122.386 -2.483 1
1 1301 . 19 1 1 A 120 120 ARG H H 129 7.884 8.731 -0.847 1
1 1302 . 19 1 1 A 120 120 ARG HA H 129 4.719 4.882 -0.163 1
1 1307 . 19 1 1 A 120 120 ARG CA C 129 55.555 55.894 -0.339 1
1 1308 . 19 1 1 A 120 120 ARG CB C 129 34.945 32.981 1.964 1
1 1311 . 19 1 1 A 120 120 ARG N N 129 122.621 127.076 -4.455 1
1 1312 . 19 1 1 A 121 121 GLY H H 130 8.289 8.438 -0.149 1
1 1313 . 19 1 1 A 121 121 GLY HA2 H 130 4.605 4.125 0.480 1
1 1314 . 19 1 1 A 121 121 GLY HA3 H 130 3.803 4.134 -0.331 1
1 1315 . 19 1 1 A 121 121 GLY CA C 130 45.756 45.300 0.456 1
1 1316 . 19 1 1 A 121 121 GLY N N 130 107.626 111.154 -3.528 1
1 1317 . 19 1 1 A 122 122 GLN H H 131 8.408 8.603 -0.195 1
1 1318 . 19 1 1 A 122 122 GLN HA H 131 5.434 5.279 0.155 1
1 1323 . 19 1 1 A 122 122 GLN CA C 131 54.809 54.074 0.735 1
1 1324 . 19 1 1 A 122 122 GLN CB C 131 34.756 33.483 1.273 1
1 1326 . 19 1 1 A 122 122 GLN N N 131 114.654 117.629 -2.975 1
1 1328 . 19 1 1 A 123 123 ILE H H 132 9.273 8.459 0.814 1
1 1329 . 19 1 1 A 123 123 ILE HA H 132 5.207 4.700 0.507 1
1 1339 . 19 1 1 A 123 123 ILE CA C 132 59.284 60.096 -0.812 1
1 1340 . 19 1 1 A 123 123 ILE CB C 132 44.085 41.609 2.476 1
1 1344 . 19 1 1 A 123 123 ILE N N 132 118.216 121.414 -3.198 1
1 1345 . 19 1 1 A 124 124 VAL H H 133 8.750 9.107 -0.357 1
1 1346 . 19 1 1 A 124 124 VAL HA H 133 5.338 4.799 0.539 1
1 1354 . 19 1 1 A 124 124 VAL CA C 133 61.611 61.675 -0.064 1
1 1355 . 19 1 1 A 124 124 VAL CB C 133 32.620 32.608 0.012 1
1 1358 . 19 1 1 A 124 124 VAL N N 133 126.088 129.139 -3.051 1
1 1359 . 19 1 1 A 125 125 VAL H H 134 8.698 9.205 -0.507 1
1 1360 . 19 1 1 A 125 125 VAL HA H 134 5.859 5.585 0.274 1
1 1368 . 19 1 1 A 125 125 VAL CA C 134 57.880 59.265 -1.385 1
1 1369 . 19 1 1 A 125 125 VAL CB C 134 36.990 36.365 0.625 1
1 1372 . 19 1 1 A 125 125 VAL N N 134 117.895 121.780 -3.885 1
1 1373 . 19 1 1 A 126 126 SER H H 135 8.746 8.798 -0.052 1
1 1374 . 19 1 1 A 126 126 SER HA H 135 4.881 5.354 -0.473 1
1 1377 . 19 1 1 A 126 126 SER CA C 135 56.860 56.792 0.068 1
1 1378 . 19 1 1 A 126 126 SER CB C 135 66.695 65.740 0.955 1
1 1379 . 19 1 1 A 126 126 SER N N 135 112.967 115.351 -2.384 1
1 1380 . 19 1 1 A 127 127 LEU H H 136 9.710 9.044 0.666 1
1 1381 . 19 1 1 A 127 127 LEU HA H 136 5.244 4.954 0.290 1
1 1390 . 19 1 1 A 127 127 LEU CA C 136 54.436 53.490 0.946 1
1 1391 . 19 1 1 A 127 127 LEU CB C 136 46.137 42.373 3.764 1
1 1395 . 19 1 1 A 127 127 LEU N N 136 125.760 126.764 -1.004 1
1 1396 . 19 1 1 A 128 128 GLN H H 137 9.256 8.306 0.950 1
1 1397 . 19 1 1 A 128 128 GLN HA H 137 5.128 5.733 -0.605 1
1 1404 . 19 1 1 A 128 128 GLN CA C 137 54.063 54.541 -0.478 1
1 1405 . 19 1 1 A 128 128 GLN CB C 137 34.063 32.393 1.670 1
1 1407 . 19 1 1 A 128 128 GLN N N 137 125.526 125.881 -0.355 1
1 1409 . 19 1 1 A 129 129 SER H H 138 8.222 8.599 -0.377 1
1 1410 . 19 1 1 A 129 129 SER HA H 138 4.476 4.435 0.041 1
1 1413 . 19 1 1 A 129 129 SER CA C 138 60.814 58.820 1.994 1
1 1414 . 19 1 1 A 129 129 SER CB C 138 63.116 63.405 -0.289 1
1 1415 . 19 1 1 A 129 129 SER N N 138 125.620 119.771 5.849 1
1 1416 . 19 1 1 A 130 130 ARG H H 139 8.032 8.624 -0.592 1
1 1417 . 19 1 1 A 130 130 ARG HA H 139 4.601 4.463 0.138 1
1 1424 . 19 1 1 A 130 130 ARG CA C 139 53.934 55.206 -1.272 1
1 1425 . 19 1 1 A 130 130 ARG CB C 139 32.334 31.557 0.777 1
1 1428 . 19 1 1 A 130 130 ARG N N 139 123.136 126.278 -3.142 1
1 6 . 20 1 1 A 2 2 PRO HA H 11 4.498 4.710 -0.212 1
1 11 . 20 1 1 A 2 2 PRO CA C 11 63.103 62.841 0.262 1
1 12 . 20 1 1 A 2 2 PRO CB C 11 32.993 32.569 0.424 1
1 15 . 20 1 1 A 3 3 VAL H H 12 8.356 8.418 -0.062 1
1 16 . 20 1 1 A 3 3 VAL HA H 12 4.370 4.647 -0.277 1
1 24 . 20 1 1 A 3 3 VAL CA C 12 60.982 60.251 0.731 1
1 25 . 20 1 1 A 3 3 VAL CB C 12 34.005 33.971 0.034 1
1 28 . 20 1 1 A 3 3 VAL N N 12 119.528 120.856 -1.328 1
1 29 . 20 1 1 A 4 4 LYS H H 13 8.542 8.894 -0.352 1
1 30 . 20 1 1 A 4 4 LYS HA H 13 4.752 4.683 0.069 1
1 38 . 20 1 1 A 4 4 LYS CA C 13 55.339 55.660 -0.321 1
1 39 . 20 1 1 A 4 4 LYS CB C 13 33.640 33.443 0.197 1
1 43 . 20 1 1 A 4 4 LYS N N 13 125.901 129.338 -3.437 1
1 44 . 20 1 1 A 5 5 LEU H H 14 8.887 8.746 0.141 1
1 45 . 20 1 1 A 5 5 LEU HA H 14 4.927 5.189 -0.262 1
1 51 . 20 1 1 A 5 5 LEU CA C 14 52.944 53.315 -0.371 1
1 52 . 20 1 1 A 5 5 LEU CB C 14 47.069 46.156 0.913 1
1 54 . 20 1 1 A 5 5 LEU N N 14 126.276 129.083 -2.807 1
1 55 . 20 1 1 A 6 6 ARG H H 15 9.361 8.592 0.769 1
1 56 . 20 1 1 A 6 6 ARG HA H 15 5.205 5.017 0.188 1
1 61 . 20 1 1 A 6 6 ARG CA C 15 55.064 55.249 -0.185 1
1 62 . 20 1 1 A 6 6 ARG CB C 15 31.979 31.166 0.813 1
1 64 . 20 1 1 A 6 6 ARG N N 15 123.745 126.390 -2.645 1
1 65 . 20 1 1 A 7 7 LEU H H 16 9.694 8.746 0.948 1
1 66 . 20 1 1 A 7 7 LEU HA H 16 5.437 5.043 0.394 1
1 73 . 20 1 1 A 7 7 LEU CA C 16 53.777 53.640 0.137 1
1 74 . 20 1 1 A 7 7 LEU CB C 16 45.577 43.506 2.071 1
1 77 . 20 1 1 A 7 7 LEU N N 16 111.467 127.399 -15.932 1
1 78 . 20 1 1 A 8 8 THR H H 17 9.470 9.221 0.249 1
1 79 . 20 1 1 A 8 8 THR HA H 17 4.904 4.893 0.011 1
1 84 . 20 1 1 A 8 8 THR CA C 17 62.827 62.251 0.576 1
1 85 . 20 1 1 A 8 8 THR CB C 17 69.540 69.398 0.142 1
1 87 . 20 1 1 A 8 8 THR N N 17 124.589 124.462 0.127 1
1 88 . 20 1 1 A 9 9 VAL H H 18 9.339 9.127 0.212 1
1 89 . 20 1 1 A 9 9 VAL HA H 18 4.374 4.242 0.132 1
1 97 . 20 1 1 A 9 9 VAL CA C 18 61.708 62.664 -0.956 1
1 98 . 20 1 1 A 9 9 VAL CB C 18 31.021 30.826 0.195 1
1 101 . 20 1 1 A 9 9 VAL N N 18 127.963 127.382 0.581 1
1 102 . 20 1 1 A 10 10 LEU H H 19 8.957 8.349 0.608 1
1 103 . 20 1 1 A 10 10 LEU HA H 19 4.334 4.282 0.052 1
1 113 . 20 1 1 A 10 10 LEU CA C 19 59.232 57.663 1.569 1
1 114 . 20 1 1 A 10 10 LEU CB C 19 43.525 42.779 0.746 1
1 118 . 20 1 1 A 10 10 LEU N N 19 127.775 129.415 -1.640 1
1 119 . 20 1 1 A 11 11 CYS H H 20 8.038 7.437 0.601 1
1 120 . 20 1 1 A 11 11 CYS HA H 20 5.152 4.577 0.575 1
1 123 . 20 1 1 A 11 11 CYS CA C 20 55.928 57.058 -1.130 1
1 124 . 20 1 1 A 11 11 CYS CB C 20 30.655 30.115 0.540 1
1 125 . 20 1 1 A 11 11 CYS N N 20 109.968 113.034 -3.066 1
1 126 . 20 1 1 A 12 12 ALA H H 21 8.485 8.540 -0.055 1
1 127 . 20 1 1 A 12 12 ALA HA H 21 5.397 5.395 0.002 1
1 131 . 20 1 1 A 12 12 ALA CA C 21 50.707 50.572 0.135 1
1 132 . 20 1 1 A 12 12 ALA CB C 21 22.550 23.553 -1.003 1
1 133 . 20 1 1 A 12 12 ALA N N 21 119.247 123.496 -4.249 1
1 134 . 20 1 1 A 13 13 LYS H H 22 8.905 8.810 0.095 1
1 135 . 20 1 1 A 13 13 LYS HA H 22 5.144 4.712 0.432 1
1 141 . 20 1 1 A 13 13 LYS CA C 22 54.063 54.773 -0.710 1
1 142 . 20 1 1 A 13 13 LYS CB C 22 37.217 36.055 1.162 1
1 146 . 20 1 1 A 13 13 LYS N N 22 117.934 118.954 -1.020 1
1 147 . 20 1 1 A 14 14 ASN H H 23 9.099 9.020 0.079 1
1 148 . 20 1 1 A 14 14 ASN HA H 23 4.187 4.309 -0.122 1
1 153 . 20 1 1 A 14 14 ASN CA C 23 53.735 53.829 -0.094 1
1 154 . 20 1 1 A 14 14 ASN CB C 23 37.736 36.899 0.837 1
1 155 . 20 1 1 A 14 14 ASN N N 23 118.684 120.055 -1.371 1
1 157 . 20 1 1 A 15 15 LEU H H 24 8.294 7.729 0.565 1
1 158 . 20 1 1 A 15 15 LEU HA H 24 5.161 4.240 0.921 1
1 165 . 20 1 1 A 15 15 LEU CA C 24 55.261 54.803 0.458 1
1 166 . 20 1 1 A 15 15 LEU CB C 24 42.966 41.550 1.416 1
1 169 . 20 1 1 A 15 15 LEU N N 24 114.373 119.794 -5.421 1
1 170 . 20 1 1 A 16 16 VAL H H 25 8.533 8.500 0.033 1
1 171 . 20 1 1 A 16 16 VAL HA H 25 3.635 3.944 -0.309 1
1 179 . 20 1 1 A 16 16 VAL CA C 25 62.318 63.315 -0.997 1
1 180 . 20 1 1 A 16 16 VAL CB C 25 33.064 32.059 1.005 1
1 183 . 20 1 1 A 16 16 VAL N N 25 119.200 125.495 -6.295 1
1 184 . 20 1 1 A 17 17 LYS H H 26 7.950 8.320 -0.370 1
1 185 . 20 1 1 A 17 17 LYS HA H 26 4.302 4.156 0.146 1
1 192 . 20 1 1 A 17 17 LYS CA C 26 54.150 57.644 -3.494 1
1 193 . 20 1 1 A 17 17 LYS CB C 26 33.826 31.915 1.911 1
1 197 . 20 1 1 A 17 17 LYS N N 26 128.056 125.990 2.066 1
1 198 . 20 1 1 A 18 18 LYS H H 27 8.549 7.909 0.640 1
1 199 . 20 1 1 A 18 18 LYS HA H 27 4.078 3.863 0.215 1
1 207 . 20 1 1 A 18 18 LYS CA C 27 58.626 58.420 0.206 1
1 208 . 20 1 1 A 18 18 LYS CB C 27 33.826 31.109 2.717 1
1 211 . 20 1 1 A 18 18 LYS N N 27 125.760 114.252 11.508 1
1 212 . 20 1 1 A 19 19 ASP H H 28 8.438 8.315 0.123 1
1 213 . 20 1 1 A 19 19 ASP HA H 28 4.801 4.643 0.158 1
1 216 . 20 1 1 A 19 19 ASP CA C 28 52.964 54.178 -1.214 1
1 217 . 20 1 1 A 19 19 ASP CB C 28 43.518 42.894 0.624 1
1 218 . 20 1 1 A 19 19 ASP N N 28 119.247 122.029 -2.782 1
1 219 . 20 1 1 A 20 20 PHE H H 29 8.506 8.752 -0.246 1
1 220 . 20 1 1 A 20 20 PHE HA H 29 4.049 4.113 -0.064 1
1 227 . 20 1 1 A 20 20 PHE CA C 29 60.767 60.883 -0.116 1
1 228 . 20 1 1 A 20 20 PHE CB C 29 39.305 39.349 -0.044 1
1 231 . 20 1 1 A 20 20 PHE N N 29 122.011 125.604 -3.593 1
1 232 . 20 1 1 A 21 21 PHE H H 30 8.350 8.498 -0.148 1
1 233 . 20 1 1 A 21 21 PHE HA H 30 4.677 4.112 0.565 1
1 240 . 20 1 1 A 21 21 PHE CA C 30 57.789 60.947 -3.158 1
1 241 . 20 1 1 A 21 21 PHE CB C 30 40.824 39.612 1.212 1
1 244 . 20 1 1 A 21 21 PHE N N 30 113.764 117.977 -4.213 1
1 245 . 20 1 1 A 22 22 ARG H H 31 7.631 7.685 -0.054 1
1 246 . 20 1 1 A 22 22 ARG HA H 31 4.614 4.733 -0.119 1
1 252 . 20 1 1 A 22 22 ARG CA C 31 55.325 54.579 0.746 1
1 253 . 20 1 1 A 22 22 ARG CB C 31 33.640 32.012 1.628 1
1 256 . 20 1 1 A 22 22 ARG N N 31 118.778 118.488 0.290 1
1 257 . 20 1 1 A 23 23 LEU H H 32 8.699 8.608 0.091 1
1 258 . 20 1 1 A 23 23 LEU HA H 32 4.509 4.855 -0.346 1
1 268 . 20 1 1 A 23 23 LEU CA C 32 52.758 51.089 1.669 1
1 269 . 20 1 1 A 23 23 LEU CB C 32 42.593 45.537 -2.944 1
1 273 . 20 1 1 A 23 23 LEU N N 32 123.464 121.505 1.959 1
1 274 . 20 1 1 A 24 24 PRO HA H 33 4.648 4.925 -0.277 1
1 281 . 20 1 1 A 24 24 PRO CA C 33 62.753 62.194 0.559 1
1 282 . 20 1 1 A 24 24 PRO CB C 33 33.965 32.515 1.450 1
1 285 . 20 1 1 A 25 25 ASP H H 34 7.463 8.650 -1.187 1
1 286 . 20 1 1 A 25 25 ASP HA H 34 6.052 5.569 0.483 1
1 289 . 20 1 1 A 25 25 ASP CA C 34 51.080 51.812 -0.732 1
1 290 . 20 1 1 A 25 25 ASP CB C 34 42.779 41.767 1.012 1
1 291 . 20 1 1 A 25 25 ASP N N 34 117.091 121.665 -4.574 1
1 292 . 20 1 1 A 26 26 PRO HA H 35 5.968 5.193 0.775 1
1 299 . 20 1 1 A 26 26 PRO CA C 35 62.827 62.886 -0.059 1
1 300 . 20 1 1 A 26 26 PRO CB C 35 35.132 32.859 2.273 1
1 303 . 20 1 1 A 27 27 PHE H H 36 9.284 8.862 0.422 1
1 304 . 20 1 1 A 27 27 PHE HA H 36 5.009 5.471 -0.462 1
1 312 . 20 1 1 A 27 27 PHE CA C 36 56.301 56.160 0.141 1
1 313 . 20 1 1 A 27 27 PHE CB C 36 42.689 41.262 1.427 1
1 317 . 20 1 1 A 27 27 PHE N N 36 120.090 118.725 1.365 1
1 318 . 20 1 1 A 28 28 ALA H H 37 8.408 8.626 -0.218 1
1 319 . 20 1 1 A 28 28 ALA HA H 37 5.481 5.090 0.391 1
1 323 . 20 1 1 A 28 28 ALA CA C 37 49.186 49.811 -0.625 1
1 324 . 20 1 1 A 28 28 ALA CB C 37 20.389 22.837 -2.448 1
1 325 . 20 1 1 A 28 28 ALA N N 37 122.433 121.119 1.314 1
1 326 . 20 1 1 A 29 29 LYS H H 38 9.617 8.876 0.741 1
1 327 . 20 1 1 A 29 29 LYS HA H 38 5.267 5.137 0.130 1
1 335 . 20 1 1 A 29 29 LYS CA C 38 54.901 54.876 0.025 1
1 336 . 20 1 1 A 29 29 LYS CB C 38 36.624 34.794 1.830 1
1 340 . 20 1 1 A 29 29 LYS N N 38 121.964 119.719 2.245 1
1 341 . 20 1 1 A 30 30 VAL H H 39 9.159 9.066 0.093 1
1 342 . 20 1 1 A 30 30 VAL HA H 39 4.494 4.793 -0.299 1
1 350 . 20 1 1 A 30 30 VAL CA C 39 61.335 61.719 -0.384 1
1 351 . 20 1 1 A 30 30 VAL CB C 39 34.954 32.892 2.062 1
1 354 . 20 1 1 A 30 30 VAL N N 39 124.497 126.668 -2.171 1
1 355 . 20 1 1 A 31 31 VAL H H 40 8.659 8.755 -0.096 1
1 356 . 20 1 1 A 31 31 VAL HA H 40 5.091 5.095 -0.004 1
1 364 . 20 1 1 A 31 31 VAL CA C 40 59.898 59.048 0.850 1
1 365 . 20 1 1 A 31 31 VAL CB C 40 36.959 35.506 1.453 1
1 368 . 20 1 1 A 31 31 VAL N N 40 124.589 120.859 3.730 1
1 369 . 20 1 1 A 32 32 VAL H H 41 7.786 8.382 -0.596 1
1 370 . 20 1 1 A 32 32 VAL HA H 41 4.660 4.483 0.177 1
1 378 . 20 1 1 A 32 32 VAL CA C 41 62.268 61.235 1.033 1
1 379 . 20 1 1 A 32 32 VAL CB C 41 30.995 32.026 -1.031 1
1 382 . 20 1 1 A 32 32 VAL N N 41 125.385 122.063 3.322 1
1 383 . 20 1 1 A 33 33 ASP H H 42 8.568 8.772 -0.204 1
1 384 . 20 1 1 A 33 33 ASP HA H 42 4.310 4.379 -0.069 1
1 386 . 20 1 1 A 33 33 ASP CA C 42 57.321 55.878 1.443 1
1 387 . 20 1 1 A 33 33 ASP CB C 42 40.727 40.196 0.531 1
1 388 . 20 1 1 A 33 33 ASP N N 42 130.868 128.260 2.608 1
1 389 . 20 1 1 A 34 34 GLY HA2 H 43 4.230 4.059 0.171 1
1 390 . 20 1 1 A 34 34 GLY HA3 H 43 3.818 4.063 -0.245 1
1 391 . 20 1 1 A 34 34 GLY CA C 43 46.510 45.079 1.431 1
1 392 . 20 1 1 A 35 35 SER H H 44 8.049 8.184 -0.135 1
1 393 . 20 1 1 A 35 35 SER HA H 44 4.928 4.331 0.597 1
1 396 . 20 1 1 A 35 35 SER CA C 44 58.067 60.615 -2.548 1
1 397 . 20 1 1 A 35 35 SER CB C 44 67.393 61.954 5.439 1
1 398 . 20 1 1 A 35 35 SER N N 44 115.029 113.682 1.347 1
1 399 . 20 1 1 A 36 36 GLY H H 45 8.637 8.702 -0.065 1
1 400 . 20 1 1 A 36 36 GLY HA2 H 45 4.338 3.985 0.353 1
1 401 . 20 1 1 A 36 36 GLY HA3 H 45 3.884 3.997 -0.113 1
1 402 . 20 1 1 A 36 36 GLY CA C 45 46.137 45.313 0.824 1
1 403 . 20 1 1 A 36 36 GLY N N 45 109.265 111.663 -2.398 1
1 404 . 20 1 1 A 37 37 GLN H H 46 8.329 7.961 0.368 1
1 405 . 20 1 1 A 37 37 GLN HA H 46 4.339 4.693 -0.354 1
1 412 . 20 1 1 A 37 37 GLN CA C 46 56.002 54.717 1.285 1
1 413 . 20 1 1 A 37 37 GLN CB C 46 30.241 30.991 -0.750 1
1 415 . 20 1 1 A 37 37 GLN N N 46 120.699 119.678 1.021 1
1 417 . 20 1 1 A 38 38 CYS H H 47 7.787 9.021 -1.234 1
1 418 . 20 1 1 A 38 38 CYS HA H 47 5.257 5.695 -0.438 1
1 420 . 20 1 1 A 38 38 CYS CA C 47 56.761 56.626 0.135 1
1 421 . 20 1 1 A 38 38 CYS CB C 47 29.250 30.904 -1.654 1
1 422 . 20 1 1 A 38 38 CYS N N 47 124.214 122.499 1.715 1
1 423 . 20 1 1 A 39 39 HIS H H 48 8.906 8.925 -0.019 1
1 424 . 20 1 1 A 39 39 HIS HA H 48 4.730 4.893 -0.163 1
1 428 . 20 1 1 A 39 39 HIS CA C 48 54.888 54.206 0.682 1
1 429 . 20 1 1 A 39 39 HIS CB C 48 34.688 34.249 0.439 1
1 431 . 20 1 1 A 39 39 HIS N N 48 125.807 119.798 6.009 1
1 432 . 20 1 1 A 40 40 SER H H 49 8.728 8.660 0.068 1
1 433 . 20 1 1 A 40 40 SER HA H 49 5.732 5.371 0.361 1
1 436 . 20 1 1 A 40 40 SER CA C 49 57.041 57.376 -0.335 1
1 437 . 20 1 1 A 40 40 SER CB C 49 66.274 66.560 -0.286 1
1 438 . 20 1 1 A 40 40 SER N N 49 116.034 114.348 1.686 1
1 439 . 20 1 1 A 41 41 THR H H 50 9.212 8.892 0.320 1
1 440 . 20 1 1 A 41 41 THR HA H 50 4.477 5.038 -0.561 1
1 445 . 20 1 1 A 41 41 THR CA C 50 61.457 59.722 1.735 1
1 446 . 20 1 1 A 41 41 THR CB C 50 72.337 70.640 1.697 1
1 448 . 20 1 1 A 41 41 THR N N 50 115.404 112.718 2.686 1
1 449 . 20 1 1 A 42 42 ASP H H 51 9.424 8.664 0.760 1
1 450 . 20 1 1 A 42 42 ASP HA H 51 4.676 4.616 0.060 1
1 453 . 20 1 1 A 42 42 ASP CA C 51 54.996 55.217 -0.221 1
1 454 . 20 1 1 A 42 42 ASP CB C 51 41.543 41.692 -0.149 1
1 455 . 20 1 1 A 42 42 ASP N N 51 119.340 122.967 -3.627 1
1 456 . 20 1 1 A 43 43 THR H H 52 8.650 8.579 0.071 1
1 457 . 20 1 1 A 43 43 THR HA H 52 4.858 5.260 -0.402 1
1 462 . 20 1 1 A 43 43 THR CA C 52 62.637 62.138 0.499 1
1 463 . 20 1 1 A 43 43 THR CB C 52 70.191 70.437 -0.246 1
1 465 . 20 1 1 A 43 43 THR N N 52 117.836 117.368 0.468 1
1 466 . 20 1 1 A 44 44 VAL H H 53 8.266 9.137 -0.871 1
1 467 . 20 1 1 A 44 44 VAL HA H 53 4.363 4.848 -0.485 1
1 475 . 20 1 1 A 44 44 VAL CA C 53 61.086 59.901 1.185 1
1 476 . 20 1 1 A 44 44 VAL CB C 53 33.361 33.305 0.056 1
1 479 . 20 1 1 A 44 44 VAL N N 53 127.775 122.562 5.213 1
1 480 . 20 1 1 A 45 45 LYS H H 54 8.163 8.728 -0.565 1
1 481 . 20 1 1 A 45 45 LYS HA H 54 4.229 4.932 -0.703 1
1 487 . 20 1 1 A 45 45 LYS CA C 54 56.627 54.924 1.703 1
1 488 . 20 1 1 A 45 45 LYS CB C 54 33.739 33.618 0.121 1
1 492 . 20 1 1 A 45 45 LYS N N 54 120.934 123.296 -2.362 1
1 493 . 20 1 1 A 46 46 ASN H H 55 9.642 8.847 0.795 1
1 494 . 20 1 1 A 46 46 ASN HA H 55 4.150 4.595 -0.445 1
1 499 . 20 1 1 A 46 46 ASN CA C 55 54.029 53.815 0.214 1
1 500 . 20 1 1 A 46 46 ASN CB C 55 38.668 36.168 2.500 1
1 501 . 20 1 1 A 46 46 ASN N N 55 121.215 121.802 -0.587 1
1 503 . 20 1 1 A 47 47 THR H H 56 8.246 7.796 0.450 1
1 504 . 20 1 1 A 47 47 THR HA H 56 4.661 4.791 -0.130 1
1 509 . 20 1 1 A 47 47 THR CA C 56 60.963 60.385 0.578 1
1 510 . 20 1 1 A 47 47 THR CB C 56 68.512 69.796 -1.284 1
1 512 . 20 1 1 A 47 47 THR N N 56 111.936 117.980 -6.044 1
1 513 . 20 1 1 A 48 48 LEU H H 57 8.245 8.527 -0.282 1
1 514 . 20 1 1 A 48 48 LEU HA H 57 4.410 4.609 -0.199 1
1 524 . 20 1 1 A 48 48 LEU CA C 57 53.641 53.917 -0.276 1
1 525 . 20 1 1 A 48 48 LEU CB C 57 41.570 41.927 -0.357 1
1 529 . 20 1 1 A 48 48 LEU N N 57 122.433 124.743 -2.310 1
1 530 . 20 1 1 A 49 49 ASP H H 58 8.544 7.891 0.653 1
1 531 . 20 1 1 A 49 49 ASP HA H 58 5.419 5.158 0.261 1
1 534 . 20 1 1 A 49 49 ASP CA C 58 51.826 51.776 0.050 1
1 535 . 20 1 1 A 49 49 ASP CB C 58 44.085 40.516 3.569 1
1 536 . 20 1 1 A 49 49 ASP N N 58 116.903 117.291 -0.388 1
1 537 . 20 1 1 A 50 50 PRO HA H 59 3.790 4.471 -0.681 1
1 543 . 20 1 1 A 50 50 PRO CA C 59 63.219 62.045 1.174 1
1 544 . 20 1 1 A 50 50 PRO CB C 59 32.661 32.916 -0.255 1
1 547 . 20 1 1 A 51 51 LYS H H 60 7.806 7.869 -0.063 1
1 548 . 20 1 1 A 51 51 LYS HA H 60 4.224 4.624 -0.400 1
1 555 . 20 1 1 A 51 51 LYS CA C 60 55.521 55.079 0.442 1
1 556 . 20 1 1 A 51 51 LYS CB C 60 33.826 35.665 -1.839 1
1 560 . 20 1 1 A 51 51 LYS N N 60 119.996 116.779 3.217 1
1 561 . 20 1 1 A 52 52 TRP H H 61 7.791 8.443 -0.652 1
1 562 . 20 1 1 A 52 52 TRP HA H 61 4.824 4.857 -0.033 1
1 570 . 20 1 1 A 52 52 TRP CA C 61 60.590 57.769 2.821 1
1 571 . 20 1 1 A 52 52 TRP CB C 61 29.715 31.273 -1.558 1
1 576 . 20 1 1 A 52 52 TRP N N 61 122.386 120.392 1.994 1
1 578 . 20 1 1 A 53 53 ASN H H 62 9.040 8.084 0.956 1
1 579 . 20 1 1 A 53 53 ASN HA H 62 4.419 4.372 0.047 1
1 584 . 20 1 1 A 53 53 ASN CA C 62 53.789 54.181 -0.392 1
1 585 . 20 1 1 A 53 53 ASN CB C 62 37.922 37.547 0.375 1
1 586 . 20 1 1 A 53 53 ASN N N 62 117.185 118.698 -1.513 1
1 588 . 20 1 1 A 54 54 GLN H H 63 7.512 7.265 0.247 1
1 589 . 20 1 1 A 54 54 GLN HA H 63 4.584 4.586 -0.002 1
1 596 . 20 1 1 A 54 54 GLN CA C 63 55.008 54.274 0.734 1
1 597 . 20 1 1 A 54 54 GLN CB C 63 34.938 30.939 3.999 1
1 599 . 20 1 1 A 54 54 GLN N N 63 116.341 117.608 -1.267 1
1 601 . 20 1 1 A 55 55 HIS H H 64 7.782 7.935 -0.153 1
1 602 . 20 1 1 A 55 55 HIS HA H 64 5.796 5.844 -0.048 1
1 606 . 20 1 1 A 55 55 HIS CA C 64 53.059 53.150 -0.091 1
1 607 . 20 1 1 A 55 55 HIS CB C 64 34.378 33.003 1.375 1
1 609 . 20 1 1 A 55 55 HIS N N 64 118.403 117.905 0.498 1
1 610 . 20 1 1 A 56 56 TYR H H 65 8.657 8.675 -0.018 1
1 611 . 20 1 1 A 56 56 TYR HA H 65 4.404 4.771 -0.367 1
1 618 . 20 1 1 A 56 56 TYR CA C 65 57.430 56.342 1.088 1
1 619 . 20 1 1 A 56 56 TYR CB C 65 42.958 41.384 1.574 1
1 622 . 20 1 1 A 56 56 TYR N N 65 116.435 119.880 -3.445 1
1 623 . 20 1 1 A 57 57 ASP H H 66 8.772 8.807 -0.035 1
1 624 . 20 1 1 A 57 57 ASP HA H 66 5.283 5.127 0.156 1
1 627 . 20 1 1 A 57 57 ASP CA C 66 54.250 52.790 1.460 1
1 628 . 20 1 1 A 57 57 ASP CB C 66 40.914 41.919 -1.005 1
1 629 . 20 1 1 A 57 57 ASP N N 66 124.776 123.050 1.726 1
1 630 . 20 1 1 A 58 58 LEU H H 67 9.175 8.641 0.534 1
1 631 . 20 1 1 A 58 58 LEU HA H 67 4.589 4.819 -0.230 1
1 641 . 20 1 1 A 58 58 LEU CA C 67 53.131 53.492 -0.361 1
1 642 . 20 1 1 A 58 58 LEU CB C 67 45.060 45.317 -0.257 1
1 645 . 20 1 1 A 58 58 LEU N N 67 124.558 125.200 -0.642 1
1 646 . 20 1 1 A 59 59 TYR H H 68 8.877 8.621 0.256 1
1 647 . 20 1 1 A 59 59 TYR HA H 68 5.096 5.366 -0.270 1
1 654 . 20 1 1 A 59 59 TYR CA C 68 57.606 58.452 -0.846 1
1 655 . 20 1 1 A 59 59 TYR CB C 68 39.422 39.712 -0.290 1
1 658 . 20 1 1 A 59 59 TYR N N 68 121.215 123.170 -1.955 1
1 659 . 20 1 1 A 60 60 ILE H H 69 9.162 8.767 0.395 1
1 660 . 20 1 1 A 60 60 ILE HA H 69 4.551 4.640 -0.089 1
1 670 . 20 1 1 A 60 60 ILE CA C 69 59.471 60.013 -0.542 1
1 671 . 20 1 1 A 60 60 ILE CB C 69 40.500 39.998 0.502 1
1 675 . 20 1 1 A 60 60 ILE N N 69 124.823 123.430 1.393 1
1 676 . 20 1 1 A 61 61 GLY H H 70 9.960 8.683 1.277 1
1 677 . 20 1 1 A 61 61 GLY HA2 H 70 4.517 4.182 0.335 1
1 678 . 20 1 1 A 61 61 GLY HA3 H 70 3.881 4.182 -0.301 1
1 679 . 20 1 1 A 61 61 GLY CA C 70 44.083 44.297 -0.214 1
1 680 . 20 1 1 A 61 61 GLY N N 70 117.841 115.326 2.515 1
1 681 . 20 1 1 A 62 62 LYS H H 71 8.605 8.918 -0.313 1
1 682 . 20 1 1 A 62 62 LYS HA H 71 4.090 4.157 -0.067 1
1 687 . 20 1 1 A 62 62 LYS CA C 71 59.447 59.075 0.372 1
1 688 . 20 1 1 A 62 62 LYS CB C 71 33.453 32.075 1.378 1
1 692 . 20 1 1 A 62 62 LYS N N 71 119.434 119.529 -0.095 1
1 693 . 20 1 1 A 63 63 SER H H 72 8.544 8.017 0.527 1
1 694 . 20 1 1 A 63 63 SER HA H 72 4.811 4.740 0.071 1
1 696 . 20 1 1 A 63 63 SER CA C 72 57.606 56.565 1.041 1
1 697 . 20 1 1 A 63 63 SER CB C 72 64.013 63.092 0.921 1
1 698 . 20 1 1 A 63 63 SER N N 72 111.842 110.589 1.253 1
1 699 . 20 1 1 A 64 64 ASP H H 73 7.247 8.676 -1.429 1
1 700 . 20 1 1 A 64 64 ASP HA H 73 4.867 5.586 -0.719 1
1 702 . 20 1 1 A 64 64 ASP CA C 73 55.500 52.839 2.661 1
1 703 . 20 1 1 A 64 64 ASP CB C 73 43.331 44.984 -1.653 1
1 704 . 20 1 1 A 64 64 ASP N N 73 121.964 125.571 -3.607 1
1 705 . 20 1 1 A 65 65 SER H H 74 8.742 8.751 -0.009 1
1 706 . 20 1 1 A 65 65 SER HA H 74 5.074 5.214 -0.140 1
1 708 . 20 1 1 A 65 65 SER CA C 74 56.301 57.111 -0.810 1
1 709 . 20 1 1 A 65 65 SER CB C 74 67.579 66.310 1.269 1
1 710 . 20 1 1 A 65 65 SER N N 74 111.936 115.514 -3.578 1
1 711 . 20 1 1 A 66 66 VAL H H 75 8.622 8.380 0.242 1
1 712 . 20 1 1 A 66 66 VAL HA H 75 5.095 4.923 0.172 1
1 720 . 20 1 1 A 66 66 VAL CA C 75 60.217 60.732 -0.515 1
1 721 . 20 1 1 A 66 66 VAL CB C 75 36.617 34.593 2.024 1
1 724 . 20 1 1 A 66 66 VAL N N 75 119.422 121.868 -2.446 1
1 725 . 20 1 1 A 67 67 THR H H 76 9.152 8.858 0.294 1
1 726 . 20 1 1 A 67 67 THR HA H 76 5.199 4.973 0.226 1
1 731 . 20 1 1 A 67 67 THR CA C 76 63.014 61.668 1.346 1
1 732 . 20 1 1 A 67 67 THR CB C 76 69.703 70.819 -1.116 1
1 734 . 20 1 1 A 67 67 THR N N 76 123.839 123.475 0.364 1
1 735 . 20 1 1 A 68 68 ILE H H 77 9.106 8.869 0.237 1
1 736 . 20 1 1 A 68 68 ILE HA H 77 5.389 4.779 0.610 1
1 746 . 20 1 1 A 68 68 ILE CA C 77 59.844 60.437 -0.593 1
1 747 . 20 1 1 A 68 68 ILE CB C 77 40.347 38.791 1.556 1
1 751 . 20 1 1 A 68 68 ILE N N 77 129.275 128.921 0.354 1
1 752 . 20 1 1 A 69 69 SER H H 78 9.645 9.051 0.594 1
1 753 . 20 1 1 A 69 69 SER HA H 78 5.265 5.275 -0.010 1
1 756 . 20 1 1 A 69 69 SER CA C 78 56.114 56.255 -0.141 1
1 757 . 20 1 1 A 69 69 SER CB C 78 66.087 66.799 -0.712 1
1 758 . 20 1 1 A 69 69 SER N N 78 120.559 122.945 -2.386 1
1 759 . 20 1 1 A 70 70 VAL H H 79 8.482 8.141 0.341 1
1 760 . 20 1 1 A 70 70 VAL HA H 79 4.676 4.886 -0.210 1
1 768 . 20 1 1 A 70 70 VAL CA C 79 60.852 60.564 0.288 1
1 769 . 20 1 1 A 70 70 VAL CB C 79 32.992 35.021 -2.029 1
1 772 . 20 1 1 A 70 70 VAL N N 79 121.777 121.901 -0.124 1
1 773 . 20 1 1 A 71 71 TRP H H 80 8.627 8.492 0.135 1
1 774 . 20 1 1 A 71 71 TRP HA H 80 4.930 5.034 -0.104 1
1 783 . 20 1 1 A 71 71 TRP CA C 80 55.182 55.168 0.014 1
1 784 . 20 1 1 A 71 71 TRP CB C 80 34.058 33.331 0.727 1
1 790 . 20 1 1 A 71 71 TRP N N 80 124.474 126.271 -1.797 1
1 792 . 20 1 1 A 72 72 ASN H H 81 9.891 9.240 0.651 1
1 793 . 20 1 1 A 72 72 ASN HA H 81 4.789 5.044 -0.255 1
1 798 . 20 1 1 A 72 72 ASN CA C 81 51.049 53.042 -1.993 1
1 799 . 20 1 1 A 72 72 ASN CB C 81 39.091 38.273 0.818 1
1 800 . 20 1 1 A 72 72 ASN N N 81 116.435 121.943 -5.508 1
1 802 . 20 1 1 A 73 73 HIS H H 82 9.967 9.047 0.920 1
1 803 . 20 1 1 A 73 73 HIS HA H 82 4.499 4.341 0.158 1
1 806 . 20 1 1 A 73 73 HIS CA C 82 60.788 60.678 0.110 1
1 807 . 20 1 1 A 73 73 HIS CB C 82 32.327 30.861 1.466 1
1 808 . 20 1 1 A 73 73 HIS N N 82 127.963 126.121 1.842 1
1 809 . 20 1 1 A 74 74 LYS H H 83 7.764 8.287 -0.523 1
1 810 . 20 1 1 A 74 74 LYS HA H 83 4.297 3.846 0.451 1
1 817 . 20 1 1 A 74 74 LYS CA C 83 59.232 60.057 -0.825 1
1 818 . 20 1 1 A 74 74 LYS CB C 83 33.640 32.246 1.394 1
1 822 . 20 1 1 A 74 74 LYS N N 83 112.592 118.033 -5.441 1
1 823 . 20 1 1 A 75 75 LYS H H 84 7.626 7.719 -0.093 1
1 824 . 20 1 1 A 75 75 LYS HA H 84 4.607 4.207 0.400 1
1 832 . 20 1 1 A 75 75 LYS CA C 84 55.828 58.977 -3.149 1
1 833 . 20 1 1 A 75 75 LYS CB C 84 36.064 32.148 3.916 1
1 837 . 20 1 1 A 75 75 LYS N N 84 114.560 118.026 -3.466 1
1 838 . 20 1 1 A 76 76 ILE H H 85 7.021 8.078 -1.057 1
1 839 . 20 1 1 A 76 76 ILE HA H 85 4.132 4.145 -0.013 1
1 849 . 20 1 1 A 76 76 ILE CA C 85 64.013 64.407 -0.394 1
1 850 . 20 1 1 A 76 76 ILE CB C 85 39.146 37.737 1.409 1
1 854 . 20 1 1 A 76 76 ILE N N 85 113.811 117.454 -3.643 1
1 855 . 20 1 1 A 77 77 HIS H H 86 8.335 7.604 0.731 1
1 856 . 20 1 1 A 77 77 HIS HA H 86 4.612 4.216 0.396 1
1 859 . 20 1 1 A 77 77 HIS CA C 86 56.815 58.254 -1.439 1
1 860 . 20 1 1 A 77 77 HIS CB C 86 30.461 30.420 0.041 1
1 862 . 20 1 1 A 77 77 HIS N N 86 117.841 123.003 -5.162 1
1 863 . 20 1 1 A 78 78 LYS H H 87 7.587 7.548 0.039 1
1 864 . 20 1 1 A 78 78 LYS HA H 87 4.094 4.000 0.094 1
1 870 . 20 1 1 A 78 78 LYS CA C 87 57.628 59.855 -2.227 1
1 871 . 20 1 1 A 78 78 LYS CB C 87 32.893 32.903 -0.010 1
1 875 . 20 1 1 A 78 78 LYS N N 87 120.652 118.983 1.669 1
1 876 . 20 1 1 A 79 79 LYS H H 88 7.585 7.561 0.024 1
1 877 . 20 1 1 A 79 79 LYS HA H 88 4.304 4.703 -0.399 1
1 883 . 20 1 1 A 79 79 LYS CA C 88 56.467 54.494 1.973 1
1 884 . 20 1 1 A 79 79 LYS CB C 88 34.013 36.555 -2.542 1
1 888 . 20 1 1 A 79 79 LYS N N 88 115.872 116.488 -0.616 1
1 889 . 20 1 1 A 80 80 GLN H H 89 8.625 8.603 0.022 1
1 890 . 20 1 1 A 80 80 GLN HA H 89 4.192 3.959 0.233 1
1 893 . 20 1 1 A 80 80 GLN CA C 89 57.590 58.790 -1.200 1
1 894 . 20 1 1 A 80 80 GLN CB C 89 28.331 28.888 -0.557 1
1 896 . 20 1 1 A 80 80 GLN N N 89 121.308 122.006 -0.698 1
1 897 . 20 1 1 A 81 81 GLY H H 90 8.791 8.320 0.471 1
1 898 . 20 1 1 A 81 81 GLY HA2 H 90 4.332 3.998 0.334 1
1 899 . 20 1 1 A 81 81 GLY HA3 H 90 3.850 4.022 -0.172 1
1 900 . 20 1 1 A 81 81 GLY CA C 90 45.950 46.650 -0.700 1
1 901 . 20 1 1 A 81 81 GLY N N 90 112.984 107.591 5.393 1
1 902 . 20 1 1 A 82 82 ALA H H 91 7.951 7.682 0.269 1
1 903 . 20 1 1 A 82 82 ALA HA H 91 4.485 4.130 0.355 1
1 907 . 20 1 1 A 82 82 ALA CA C 91 53.404 53.938 -0.534 1
1 908 . 20 1 1 A 82 82 ALA CB C 91 20.762 18.284 2.478 1
1 909 . 20 1 1 A 82 82 ALA N N 91 123.745 122.816 0.929 1
1 910 . 20 1 1 A 83 83 GLY H H 92 8.860 8.941 -0.081 1
1 911 . 20 1 1 A 83 83 GLY HA2 H 92 4.270 4.184 0.086 1
1 912 . 20 1 1 A 83 83 GLY HA3 H 92 4.262 4.268 -0.006 1
1 913 . 20 1 1 A 83 83 GLY CA C 92 46.689 45.515 1.174 1
1 914 . 20 1 1 A 83 83 GLY N N 92 105.564 110.997 -5.433 1
1 915 . 20 1 1 A 84 84 PHE H H 93 8.113 8.050 0.063 1
1 916 . 20 1 1 A 84 84 PHE HA H 93 3.440 4.115 -0.675 1
1 924 . 20 1 1 A 84 84 PHE CA C 93 59.932 57.062 2.870 1
1 925 . 20 1 1 A 84 84 PHE CB C 93 39.141 39.323 -0.182 1
1 929 . 20 1 1 A 84 84 PHE N N 93 121.215 121.215 0.000 1
1 930 . 20 1 1 A 85 85 LEU H H 94 8.204 8.016 0.188 1
1 931 . 20 1 1 A 85 85 LEU HA H 94 4.334 4.135 0.199 1
1 938 . 20 1 1 A 85 85 LEU CA C 94 53.569 55.974 -2.405 1
1 939 . 20 1 1 A 85 85 LEU CB C 94 43.255 42.296 0.959 1
1 942 . 20 1 1 A 85 85 LEU N N 94 125.432 127.409 -1.977 1
1 943 . 20 1 1 A 86 86 GLY HA2 H 95 4.222 3.612 0.610 1
1 944 . 20 1 1 A 86 86 GLY HA3 H 95 3.147 3.789 -0.642 1
1 945 . 20 1 1 A 86 86 GLY CA C 95 45.570 45.419 0.151 1
1 946 . 20 1 1 A 87 87 CYS H H 96 9.230 8.922 0.308 1
1 947 . 20 1 1 A 87 87 CYS HA H 96 5.838 5.379 0.459 1
1 949 . 20 1 1 A 87 87 CYS CA C 96 55.882 57.520 -1.638 1
1 950 . 20 1 1 A 87 87 CYS CB C 96 33.259 29.412 3.847 1
1 951 . 20 1 1 A 87 87 CYS N N 96 114.935 121.317 -6.382 1
1 952 . 20 1 1 A 88 88 VAL H H 97 9.242 9.093 0.149 1
1 953 . 20 1 1 A 88 88 VAL HA H 97 4.575 4.784 -0.209 1
1 961 . 20 1 1 A 88 88 VAL CA C 97 61.769 60.186 1.583 1
1 962 . 20 1 1 A 88 88 VAL CB C 97 35.684 33.841 1.843 1
1 965 . 20 1 1 A 88 88 VAL N N 97 115.966 125.770 -9.804 1
1 966 . 20 1 1 A 89 89 ARG H H 98 8.665 9.116 -0.451 1
1 967 . 20 1 1 A 89 89 ARG HA H 98 5.166 5.255 -0.089 1
1 973 . 20 1 1 A 89 89 ARG CA C 98 54.929 54.411 0.518 1
1 974 . 20 1 1 A 89 89 ARG CB C 98 31.961 33.812 -1.851 1
1 977 . 20 1 1 A 89 89 ARG N N 98 125.526 129.773 -4.247 1
1 978 . 20 1 1 A 90 90 LEU H H 99 9.611 8.732 0.879 1
1 979 . 20 1 1 A 90 90 LEU HA H 99 4.644 5.164 -0.520 1
1 989 . 20 1 1 A 90 90 LEU CA C 99 53.217 52.914 0.303 1
1 990 . 20 1 1 A 90 90 LEU CB C 99 43.339 45.085 -1.746 1
1 994 . 20 1 1 A 90 90 LEU N N 99 127.119 126.931 0.188 1
1 995 . 20 1 1 A 91 91 LEU H H 100 7.953 8.591 -0.638 1
1 996 . 20 1 1 A 91 91 LEU HA H 100 4.540 4.648 -0.108 1
1 1005 . 20 1 1 A 91 91 LEU CA C 100 54.523 54.003 0.520 1
1 1006 . 20 1 1 A 91 91 LEU CB C 100 42.593 42.382 0.211 1
1 1010 . 20 1 1 A 91 91 LEU N N 100 122.527 125.487 -2.960 1
1 1011 . 20 1 1 A 92 92 SER H H 101 8.754 8.842 -0.088 1
1 1012 . 20 1 1 A 92 92 SER HA H 101 3.950 4.151 -0.201 1
1 1013 . 20 1 1 A 92 92 SER CA C 101 63.171 61.701 1.470 1
1 1014 . 20 1 1 A 92 92 SER N N 101 115.966 116.341 -0.375 1
1 1015 . 20 1 1 A 93 93 ASN H H 102 7.765 8.348 -0.583 1
1 1016 . 20 1 1 A 93 93 ASN HA H 102 4.500 4.431 0.069 1
1 1020 . 20 1 1 A 93 93 ASN CA C 102 56.487 56.360 0.127 1
1 1021 . 20 1 1 A 93 93 ASN CB C 102 37.514 38.729 -1.215 1
1 1022 . 20 1 1 A 93 93 ASN N N 102 116.950 119.783 -2.833 1
1 1024 . 20 1 1 A 94 94 ALA H H 103 7.345 7.708 -0.363 1
1 1025 . 20 1 1 A 94 94 ALA HA H 103 4.230 4.106 0.124 1
1 1029 . 20 1 1 A 94 94 ALA CA C 103 54.843 55.087 -0.244 1
1 1030 . 20 1 1 A 94 94 ALA CB C 103 19.643 18.320 1.323 1
1 1031 . 20 1 1 A 94 94 ALA N N 103 124.495 121.557 2.938 1
1 1032 . 20 1 1 A 95 95 ILE H H 104 8.322 8.093 0.229 1
1 1033 . 20 1 1 A 95 95 ILE HA H 104 3.280 3.574 -0.294 1
1 1043 . 20 1 1 A 95 95 ILE CA C 104 66.184 65.049 1.135 1
1 1044 . 20 1 1 A 95 95 ILE CB C 104 37.922 37.625 0.297 1
1 1048 . 20 1 1 A 95 95 ILE N N 104 119.310 119.588 -0.278 1
1 1049 . 20 1 1 A 96 96 ASN H H 105 7.815 7.790 0.025 1
1 1050 . 20 1 1 A 96 96 ASN HA H 105 4.332 4.466 -0.134 1
1 1052 . 20 1 1 A 96 96 ASN CA C 105 56.487 56.063 0.424 1
1 1053 . 20 1 1 A 96 96 ASN CB C 105 38.855 38.161 0.694 1
1 1054 . 20 1 1 A 96 96 ASN N N 105 114.748 118.675 -3.927 1
1 1055 . 20 1 1 A 97 97 ARG H H 106 7.595 7.759 -0.164 1
1 1056 . 20 1 1 A 97 97 ARG HA H 106 4.257 3.985 0.272 1
1 1061 . 20 1 1 A 97 97 ARG CA C 106 58.294 59.075 -0.781 1
1 1062 . 20 1 1 A 97 97 ARG CB C 106 31.401 29.762 1.639 1
1 1065 . 20 1 1 A 97 97 ARG N N 106 117.934 119.156 -1.222 1
1 1066 . 20 1 1 A 98 98 LEU H H 107 8.179 8.184 -0.005 1
1 1067 . 20 1 1 A 98 98 LEU HA H 107 4.288 4.746 -0.458 1
1 1077 . 20 1 1 A 98 98 LEU CA C 107 55.735 57.053 -1.318 1
1 1078 . 20 1 1 A 98 98 LEU CB C 107 44.264 41.144 3.120 1
1 1082 . 20 1 1 A 98 98 LEU N N 107 116.341 119.254 -2.913 1
1 1083 . 20 1 1 A 99 99 LYS H H 108 8.058 8.662 -0.604 1
1 1084 . 20 1 1 A 99 99 LYS HA H 108 4.078 4.053 0.025 1
1 1091 . 20 1 1 A 99 99 LYS CA C 108 58.256 58.927 -0.671 1
1 1092 . 20 1 1 A 99 99 LYS CB C 108 32.520 32.051 0.469 1
1 1096 . 20 1 1 A 99 99 LYS N N 108 123.558 117.857 5.701 1
1 1097 . 20 1 1 A 100 100 ASP H H 109 9.305 7.890 1.415 1
1 1098 . 20 1 1 A 100 100 ASP HA H 109 4.672 4.562 0.110 1
1 1101 . 20 1 1 A 100 100 ASP CA C 109 57.047 55.189 1.858 1
1 1102 . 20 1 1 A 100 100 ASP CB C 109 39.041 41.403 -2.362 1
1 1103 . 20 1 1 A 100 100 ASP N N 109 115.779 119.119 -3.340 1
1 1104 . 20 1 1 A 101 101 THR H H 110 7.546 7.628 -0.082 1
1 1105 . 20 1 1 A 101 101 THR HA H 110 4.675 4.163 0.512 1
1 1110 . 20 1 1 A 101 101 THR CA C 110 61.895 63.653 -1.758 1
1 1111 . 20 1 1 A 101 101 THR CB C 110 70.432 69.510 0.922 1
1 1113 . 20 1 1 A 101 101 THR N N 110 129.087 109.067 20.020 1
1 1114 . 20 1 1 A 102 102 GLY H H 111 8.921 7.603 1.318 1
1 1115 . 20 1 1 A 102 102 GLY HA2 H 111 4.337 3.902 0.435 1
1 1116 . 20 1 1 A 102 102 GLY HA3 H 111 3.563 3.918 -0.355 1
1 1117 . 20 1 1 A 102 102 GLY CA C 111 44.062 44.380 -0.318 1
1 1118 . 20 1 1 A 102 102 GLY N N 111 112.780 109.864 2.916 1
1 1119 . 20 1 1 A 103 103 TYR H H 112 8.255 8.245 0.010 1
1 1120 . 20 1 1 A 103 103 TYR HA H 112 4.574 4.538 0.036 1
1 1127 . 20 1 1 A 103 103 TYR CA C 112 59.745 58.011 1.734 1
1 1128 . 20 1 1 A 103 103 TYR CB C 112 38.295 36.840 1.455 1
1 1131 . 20 1 1 A 103 103 TYR N N 112 117.653 120.023 -2.370 1
1 1132 . 20 1 1 A 104 104 GLN H H 113 9.435 8.824 0.611 1
1 1133 . 20 1 1 A 104 104 GLN HA H 113 4.659 4.932 -0.273 1
1 1140 . 20 1 1 A 104 104 GLN CA C 113 53.852 54.413 -0.561 1
1 1141 . 20 1 1 A 104 104 GLN CB C 113 31.128 31.025 0.103 1
1 1143 . 20 1 1 A 104 104 GLN N N 113 121.964 121.543 0.421 1
1 1145 . 20 1 1 A 105 105 ARG H H 114 8.670 8.851 -0.181 1
1 1146 . 20 1 1 A 105 105 ARG HA H 114 4.838 5.094 -0.256 1
1 1151 . 20 1 1 A 105 105 ARG CA C 114 55.090 54.970 0.120 1
1 1152 . 20 1 1 A 105 105 ARG CB C 114 31.401 31.036 0.365 1
1 1155 . 20 1 1 A 105 105 ARG N N 114 122.246 125.116 -2.870 1
1 1156 . 20 1 1 A 106 106 LEU H H 115 9.269 8.788 0.481 1
1 1157 . 20 1 1 A 106 106 LEU HA H 115 4.843 4.890 -0.047 1
1 1163 . 20 1 1 A 106 106 LEU CA C 115 53.317 53.508 -0.191 1
1 1164 . 20 1 1 A 106 106 LEU CB C 115 44.570 44.108 0.462 1
1 1166 . 20 1 1 A 106 106 LEU N N 115 126.088 125.605 0.483 1
1 1167 . 20 1 1 A 107 107 ASP H H 116 8.582 8.674 -0.092 1
1 1168 . 20 1 1 A 107 107 ASP HA H 116 4.748 4.852 -0.104 1
1 1171 . 20 1 1 A 107 107 ASP CA C 116 55.402 54.276 1.126 1
1 1172 . 20 1 1 A 107 107 ASP CB C 116 41.280 41.456 -0.176 1
1 1173 . 20 1 1 A 107 107 ASP N N 116 122.714 124.165 -1.451 1
1 1174 . 20 1 1 A 108 108 LEU H H 117 8.067 8.505 -0.438 1
1 1175 . 20 1 1 A 108 108 LEU HA H 117 4.195 4.574 -0.379 1
1 1185 . 20 1 1 A 108 108 LEU CA C 117 55.308 54.539 0.769 1
1 1186 . 20 1 1 A 108 108 LEU CB C 117 42.871 42.322 0.549 1
1 1190 . 20 1 1 A 108 108 LEU N N 117 121.121 124.209 -3.088 1
1 1191 . 20 1 1 A 109 109 CYS H H 118 9.705 8.794 0.911 1
1 1192 . 20 1 1 A 109 109 CYS HA H 118 4.839 4.972 -0.133 1
1 1195 . 20 1 1 A 109 109 CYS CA C 118 57.979 57.115 0.864 1
1 1196 . 20 1 1 A 109 109 CYS CB C 118 31.953 31.148 0.805 1
1 1197 . 20 1 1 A 109 109 CYS N N 118 118.403 121.459 -3.056 1
1 1198 . 20 1 1 A 110 110 LYS H H 119 8.419 8.351 0.068 1
1 1199 . 20 1 1 A 110 110 LYS HA H 119 4.426 4.571 -0.145 1
1 1207 . 20 1 1 A 110 110 LYS CA C 119 56.957 56.592 0.365 1
1 1208 . 20 1 1 A 110 110 LYS CB C 119 34.386 33.004 1.382 1
1 1212 . 20 1 1 A 110 110 LYS N N 119 120.090 119.566 0.524 1
1 1213 . 20 1 1 A 111 111 LEU H H 120 9.016 8.224 0.792 1
1 1214 . 20 1 1 A 111 111 LEU HA H 120 4.054 4.113 -0.059 1
1 1223 . 20 1 1 A 111 111 LEU CA C 120 57.694 57.486 0.208 1
1 1224 . 20 1 1 A 111 111 LEU CB C 120 43.062 42.231 0.831 1
1 1227 . 20 1 1 A 111 111 LEU N N 120 123.089 121.801 1.288 1
1 1228 . 20 1 1 A 112 112 GLY H H 121 7.578 7.791 -0.213 1
1 1229 . 20 1 1 A 112 112 GLY HA2 H 121 4.320 4.052 0.268 1
1 1230 . 20 1 1 A 112 112 GLY HA3 H 121 3.863 4.058 -0.195 1
1 1231 . 20 1 1 A 112 112 GLY CA C 121 44.644 43.772 0.872 1
1 1232 . 20 1 1 A 112 112 GLY N N 121 105.939 107.833 -1.894 1
1 1233 . 20 1 1 A 113 113 PRO HA H 122 4.365 4.316 0.049 1
1 1240 . 20 1 1 A 113 113 PRO CA C 122 64.692 65.307 -0.615 1
1 1241 . 20 1 1 A 113 113 PRO CB C 122 32.663 31.644 1.019 1
1 1244 . 20 1 1 A 114 114 ASN H H 123 8.603 8.385 0.218 1
1 1245 . 20 1 1 A 114 114 ASN HA H 123 4.899 4.872 0.027 1
1 1250 . 20 1 1 A 114 114 ASN CA C 123 52.944 52.540 0.404 1
1 1251 . 20 1 1 A 114 114 ASN CB C 123 39.041 38.166 0.875 1
1 1252 . 20 1 1 A 114 114 ASN N N 123 115.591 115.839 -0.248 1
1 1254 . 20 1 1 A 115 115 ASP H H 124 7.507 8.015 -0.508 1
1 1255 . 20 1 1 A 115 115 ASP HA H 124 4.507 4.901 -0.394 1
1 1258 . 20 1 1 A 115 115 ASP CA C 124 54.843 53.679 1.164 1
1 1259 . 20 1 1 A 115 115 ASP CB C 124 41.620 42.648 -1.028 1
1 1260 . 20 1 1 A 115 115 ASP N N 124 121.215 121.510 -0.295 1
1 1261 . 20 1 1 A 116 116 ASN H H 125 8.741 8.542 0.199 1
1 1262 . 20 1 1 A 116 116 ASN HA H 125 4.823 4.769 0.054 1
1 1267 . 20 1 1 A 116 116 ASN CA C 125 53.447 52.507 0.940 1
1 1268 . 20 1 1 A 116 116 ASN CB C 125 43.830 37.267 6.563 1
1 1269 . 20 1 1 A 116 116 ASN N N 125 120.137 123.201 -3.064 1
1 1271 . 20 1 1 A 117 117 ASP H H 126 8.039 8.355 -0.316 1
1 1272 . 20 1 1 A 117 117 ASP HA H 126 4.745 5.326 -0.581 1
1 1274 . 20 1 1 A 117 117 ASP CA C 126 54.436 51.909 2.527 1
1 1275 . 20 1 1 A 117 117 ASP CB C 126 42.046 42.448 -0.402 1
1 1276 . 20 1 1 A 117 117 ASP N N 126 120.746 122.752 -2.006 1
1 1277 . 20 1 1 A 118 118 THR H H 127 8.361 8.675 -0.314 1
1 1278 . 20 1 1 A 118 118 THR HA H 127 4.331 4.972 -0.641 1
1 1283 . 20 1 1 A 118 118 THR CA C 127 62.454 59.713 2.741 1
1 1284 . 20 1 1 A 118 118 THR CB C 127 70.191 68.848 1.343 1
1 1286 . 20 1 1 A 118 118 THR N N 127 116.903 108.026 8.877 1
1 1287 . 20 1 1 A 119 119 VAL H H 128 8.152 8.726 -0.574 1
1 1288 . 20 1 1 A 119 119 VAL HA H 128 4.172 4.938 -0.766 1
1 1296 . 20 1 1 A 119 119 VAL CA C 128 61.051 59.884 1.167 1
1 1297 . 20 1 1 A 119 119 VAL CB C 128 35.124 35.741 -0.617 1
1 1300 . 20 1 1 A 119 119 VAL N N 128 119.903 125.206 -5.303 1
1 1301 . 20 1 1 A 120 120 ARG H H 129 7.884 8.660 -0.776 1
1 1302 . 20 1 1 A 120 120 ARG HA H 129 4.719 4.804 -0.085 1
1 1307 . 20 1 1 A 120 120 ARG CA C 129 55.555 55.772 -0.217 1
1 1308 . 20 1 1 A 120 120 ARG CB C 129 34.945 32.884 2.061 1
1 1311 . 20 1 1 A 120 120 ARG N N 129 122.621 125.503 -2.882 1
1 1312 . 20 1 1 A 121 121 GLY H H 130 8.289 8.019 0.270 1
1 1313 . 20 1 1 A 121 121 GLY HA2 H 130 4.605 4.110 0.495 1
1 1314 . 20 1 1 A 121 121 GLY HA3 H 130 3.803 4.124 -0.321 1
1 1315 . 20 1 1 A 121 121 GLY CA C 130 45.756 45.501 0.255 1
1 1316 . 20 1 1 A 121 121 GLY N N 130 107.626 112.778 -5.152 1
1 1317 . 20 1 1 A 122 122 GLN H H 131 8.408 8.761 -0.353 1
1 1318 . 20 1 1 A 122 122 GLN HA H 131 5.434 5.258 0.176 1
1 1323 . 20 1 1 A 122 122 GLN CA C 131 54.809 54.126 0.683 1
1 1324 . 20 1 1 A 122 122 GLN CB C 131 34.756 33.414 1.342 1
1 1326 . 20 1 1 A 122 122 GLN N N 131 114.654 117.796 -3.142 1
1 1328 . 20 1 1 A 123 123 ILE H H 132 9.273 8.628 0.645 1
1 1329 . 20 1 1 A 123 123 ILE HA H 132 5.207 4.689 0.518 1
1 1339 . 20 1 1 A 123 123 ILE CA C 132 59.284 60.148 -0.864 1
1 1340 . 20 1 1 A 123 123 ILE CB C 132 44.085 41.540 2.545 1
1 1344 . 20 1 1 A 123 123 ILE N N 132 118.216 121.777 -3.561 1
1 1345 . 20 1 1 A 124 124 VAL H H 133 8.750 9.072 -0.322 1
1 1346 . 20 1 1 A 124 124 VAL HA H 133 5.338 4.707 0.631 1
1 1354 . 20 1 1 A 124 124 VAL CA C 133 61.611 61.511 0.100 1
1 1355 . 20 1 1 A 124 124 VAL CB C 133 32.620 32.599 0.021 1
1 1358 . 20 1 1 A 124 124 VAL N N 133 126.088 128.678 -2.590 1
1 1359 . 20 1 1 A 125 125 VAL H H 134 8.698 8.893 -0.195 1
1 1360 . 20 1 1 A 125 125 VAL HA H 134 5.859 5.543 0.316 1
1 1368 . 20 1 1 A 125 125 VAL CA C 134 57.880 59.623 -1.743 1
1 1369 . 20 1 1 A 125 125 VAL CB C 134 36.990 35.497 1.493 1
1 1372 . 20 1 1 A 125 125 VAL N N 134 117.895 121.615 -3.720 1
1 1373 . 20 1 1 A 126 126 SER H H 135 8.746 8.680 0.066 1
1 1374 . 20 1 1 A 126 126 SER HA H 135 4.881 5.350 -0.469 1
1 1377 . 20 1 1 A 126 126 SER CA C 135 56.860 56.895 -0.035 1
1 1378 . 20 1 1 A 126 126 SER CB C 135 66.695 66.071 0.624 1
1 1379 . 20 1 1 A 126 126 SER N N 135 112.967 113.755 -0.788 1
1 1380 . 20 1 1 A 127 127 LEU H H 136 9.710 8.624 1.086 1
1 1381 . 20 1 1 A 127 127 LEU HA H 136 5.244 4.907 0.337 1
1 1390 . 20 1 1 A 127 127 LEU CA C 136 54.436 53.515 0.921 1
1 1391 . 20 1 1 A 127 127 LEU CB C 136 46.137 43.548 2.589 1
1 1395 . 20 1 1 A 127 127 LEU N N 136 125.760 123.970 1.790 1
1 1396 . 20 1 1 A 128 128 GLN H H 137 9.256 8.419 0.837 1
1 1397 . 20 1 1 A 128 128 GLN HA H 137 5.128 5.632 -0.504 1
1 1404 . 20 1 1 A 128 128 GLN CA C 137 54.063 54.478 -0.415 1
1 1405 . 20 1 1 A 128 128 GLN CB C 137 34.063 32.413 1.650 1
1 1407 . 20 1 1 A 128 128 GLN N N 137 125.526 125.791 -0.265 1
1 1409 . 20 1 1 A 129 129 SER H H 138 8.222 8.694 -0.472 1
1 1410 . 20 1 1 A 129 129 SER HA H 138 4.476 4.838 -0.362 1
1 1413 . 20 1 1 A 129 129 SER CA C 138 60.814 57.999 2.815 1
1 1414 . 20 1 1 A 129 129 SER CB C 138 63.116 64.287 -1.171 1
1 1415 . 20 1 1 A 129 129 SER N N 138 125.620 119.413 6.207 1
1 1416 . 20 1 1 A 130 130 ARG H H 139 8.032 8.585 -0.553 1
1 1417 . 20 1 1 A 130 130 ARG HA H 139 4.601 4.790 -0.189 1
1 1424 . 20 1 1 A 130 130 ARG CA C 139 53.934 54.375 -0.441 1
1 1425 . 20 1 1 A 130 130 ARG CB C 139 32.334 33.450 -1.116 1
1 1428 . 20 1 1 A 130 130 ARG N N 139 123.136 122.404 0.732 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 129 1.261 1
3 1 1 1 "RMS(OBS, PRED)" CB 119 1.793 1
4 1 1 1 "RMS(OBS, PRED)" H 122 0.558 1
5 1 1 1 "RMS(OBS, PRED)" HA 138 0.363 1
6 1 1 1 "RMS(OBS, PRED)" N 122 3.910 1
7 1 2 1 "RMS(OBS, PRED)" C 0 0.000 1
8 1 2 1 "RMS(OBS, PRED)" CA 129 1.172 1
9 1 2 1 "RMS(OBS, PRED)" CB 119 1.653 1
10 1 2 1 "RMS(OBS, PRED)" H 122 0.563 1
11 1 2 1 "RMS(OBS, PRED)" HA 138 0.341 1
12 1 2 1 "RMS(OBS, PRED)" N 122 4.039 1
13 1 3 1 "RMS(OBS, PRED)" C 0 0.000 1
14 1 3 1 "RMS(OBS, PRED)" CA 129 1.175 1
15 1 3 1 "RMS(OBS, PRED)" CB 119 1.560 1
16 1 3 1 "RMS(OBS, PRED)" H 122 0.567 1
17 1 3 1 "RMS(OBS, PRED)" HA 138 0.351 1
18 1 3 1 "RMS(OBS, PRED)" N 122 3.892 1
19 1 4 1 "RMS(OBS, PRED)" C 0 0.000 1
20 1 4 1 "RMS(OBS, PRED)" CA 129 1.168 1
21 1 4 1 "RMS(OBS, PRED)" CB 119 1.766 1
22 1 4 1 "RMS(OBS, PRED)" H 122 0.528 1
23 1 4 1 "RMS(OBS, PRED)" HA 138 0.340 1
24 1 4 1 "RMS(OBS, PRED)" N 122 3.909 1
25 1 5 1 "RMS(OBS, PRED)" C 0 0.000 1
26 1 5 1 "RMS(OBS, PRED)" CA 129 1.169 1
27 1 5 1 "RMS(OBS, PRED)" CB 119 1.746 1
28 1 5 1 "RMS(OBS, PRED)" H 122 0.558 1
29 1 5 1 "RMS(OBS, PRED)" HA 138 0.349 1
30 1 5 1 "RMS(OBS, PRED)" N 122 3.902 1
31 1 6 1 "RMS(OBS, PRED)" C 0 0.000 1
32 1 6 1 "RMS(OBS, PRED)" CA 129 1.326 1
33 1 6 1 "RMS(OBS, PRED)" CB 119 1.700 1
34 1 6 1 "RMS(OBS, PRED)" H 122 0.538 1
35 1 6 1 "RMS(OBS, PRED)" HA 138 0.341 1
36 1 6 1 "RMS(OBS, PRED)" N 122 3.963 1
37 1 7 1 "RMS(OBS, PRED)" C 0 0.000 1
38 1 7 1 "RMS(OBS, PRED)" CA 129 1.217 1
39 1 7 1 "RMS(OBS, PRED)" CB 119 1.644 1
40 1 7 1 "RMS(OBS, PRED)" H 122 0.533 1
41 1 7 1 "RMS(OBS, PRED)" HA 138 0.333 1
42 1 7 1 "RMS(OBS, PRED)" N 122 3.748 1
43 1 8 1 "RMS(OBS, PRED)" C 0 0.000 1
44 1 8 1 "RMS(OBS, PRED)" CA 129 1.194 1
45 1 8 1 "RMS(OBS, PRED)" CB 119 1.654 1
46 1 8 1 "RMS(OBS, PRED)" H 122 0.543 1
47 1 8 1 "RMS(OBS, PRED)" HA 138 0.344 1
48 1 8 1 "RMS(OBS, PRED)" N 122 4.154 1
49 1 9 1 "RMS(OBS, PRED)" C 0 0.000 1
50 1 9 1 "RMS(OBS, PRED)" CA 129 1.194 1
51 1 9 1 "RMS(OBS, PRED)" CB 119 1.624 1
52 1 9 1 "RMS(OBS, PRED)" H 122 0.573 1
53 1 9 1 "RMS(OBS, PRED)" HA 138 0.352 1
54 1 9 1 "RMS(OBS, PRED)" N 122 3.907 1
55 1 10 1 "RMS(OBS, PRED)" C 0 0.000 1
56 1 10 1 "RMS(OBS, PRED)" CA 129 1.251 1
57 1 10 1 "RMS(OBS, PRED)" CB 119 1.647 1
58 1 10 1 "RMS(OBS, PRED)" H 122 0.545 1
59 1 10 1 "RMS(OBS, PRED)" HA 138 0.343 1
60 1 10 1 "RMS(OBS, PRED)" N 122 3.950 1
61 1 11 1 "RMS(OBS, PRED)" C 0 0.000 1
62 1 11 1 "RMS(OBS, PRED)" CA 129 1.227 1
63 1 11 1 "RMS(OBS, PRED)" CB 119 1.690 1
64 1 11 1 "RMS(OBS, PRED)" H 122 0.535 1
65 1 11 1 "RMS(OBS, PRED)" HA 138 0.355 1
66 1 11 1 "RMS(OBS, PRED)" N 122 4.008 1
67 1 12 1 "RMS(OBS, PRED)" C 0 0.000 1
68 1 12 1 "RMS(OBS, PRED)" CA 129 1.147 1
69 1 12 1 "RMS(OBS, PRED)" CB 119 1.638 1
70 1 12 1 "RMS(OBS, PRED)" H 122 0.537 1
71 1 12 1 "RMS(OBS, PRED)" HA 138 0.343 1
72 1 12 1 "RMS(OBS, PRED)" N 122 3.949 1
73 1 13 1 "RMS(OBS, PRED)" C 0 0.000 1
74 1 13 1 "RMS(OBS, PRED)" CA 129 1.241 1
75 1 13 1 "RMS(OBS, PRED)" CB 119 1.714 1
76 1 13 1 "RMS(OBS, PRED)" H 122 0.544 1
77 1 13 1 "RMS(OBS, PRED)" HA 138 0.355 1
78 1 13 1 "RMS(OBS, PRED)" N 122 3.765 1
79 1 14 1 "RMS(OBS, PRED)" C 0 0.000 1
80 1 14 1 "RMS(OBS, PRED)" CA 129 1.311 1
81 1 14 1 "RMS(OBS, PRED)" CB 119 1.696 1
82 1 14 1 "RMS(OBS, PRED)" H 122 0.554 1
83 1 14 1 "RMS(OBS, PRED)" HA 138 0.341 1
84 1 14 1 "RMS(OBS, PRED)" N 122 4.141 1
85 1 15 1 "RMS(OBS, PRED)" C 0 0.000 1
86 1 15 1 "RMS(OBS, PRED)" CA 129 1.181 1
87 1 15 1 "RMS(OBS, PRED)" CB 119 1.665 1
88 1 15 1 "RMS(OBS, PRED)" H 122 0.548 1
89 1 15 1 "RMS(OBS, PRED)" HA 138 0.351 1
90 1 15 1 "RMS(OBS, PRED)" N 122 4.043 1
91 1 16 1 "RMS(OBS, PRED)" C 0 0.000 1
92 1 16 1 "RMS(OBS, PRED)" CA 129 1.220 1
93 1 16 1 "RMS(OBS, PRED)" CB 119 1.713 1
94 1 16 1 "RMS(OBS, PRED)" H 122 0.564 1
95 1 16 1 "RMS(OBS, PRED)" HA 138 0.354 1
96 1 16 1 "RMS(OBS, PRED)" N 122 3.960 1
97 1 17 1 "RMS(OBS, PRED)" C 0 0.000 1
98 1 17 1 "RMS(OBS, PRED)" CA 129 1.244 1
99 1 17 1 "RMS(OBS, PRED)" CB 119 1.793 1
100 1 17 1 "RMS(OBS, PRED)" H 122 0.574 1
101 1 17 1 "RMS(OBS, PRED)" HA 138 0.350 1
102 1 17 1 "RMS(OBS, PRED)" N 122 3.918 1
103 1 18 1 "RMS(OBS, PRED)" C 0 0.000 1
104 1 18 1 "RMS(OBS, PRED)" CA 129 1.231 1
105 1 18 1 "RMS(OBS, PRED)" CB 119 1.727 1
106 1 18 1 "RMS(OBS, PRED)" H 122 0.543 1
107 1 18 1 "RMS(OBS, PRED)" HA 138 0.347 1
108 1 18 1 "RMS(OBS, PRED)" N 122 4.004 1
109 1 19 1 "RMS(OBS, PRED)" C 0 0.000 1
110 1 19 1 "RMS(OBS, PRED)" CA 129 1.223 1
111 1 19 1 "RMS(OBS, PRED)" CB 119 1.714 1
112 1 19 1 "RMS(OBS, PRED)" H 122 0.547 1
113 1 19 1 "RMS(OBS, PRED)" HA 138 0.362 1
114 1 19 1 "RMS(OBS, PRED)" N 122 3.883 1
115 1 20 1 "RMS(OBS, PRED)" C 0 0.000 1
116 1 20 1 "RMS(OBS, PRED)" CA 129 1.207 1
117 1 20 1 "RMS(OBS, PRED)" CB 119 1.683 1
118 1 20 1 "RMS(OBS, PRED)" H 122 0.532 1
119 1 20 1 "RMS(OBS, PRED)" HA 138 0.341 1
120 1 20 1 "RMS(OBS, PRED)" N 122 4.053 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 6 . 1 1 A 2 2 PRO HA H 11 4.498 4.768 -0.270 2
1 11 . 1 1 A 2 2 PRO CA C 11 63.103 62.882 0.221 2
1 12 . 1 1 A 2 2 PRO CB C 11 32.993 32.751 0.242 2
1 15 . 1 1 A 3 3 VAL H H 12 8.356 8.276 0.080 2
1 16 . 1 1 A 3 3 VAL HA H 12 4.370 4.817 -0.447 2
1 24 . 1 1 A 3 3 VAL CA C 12 60.982 59.549 1.433 2
1 25 . 1 1 A 3 3 VAL CB C 12 34.005 34.355 -0.350 2
1 28 . 1 1 A 3 3 VAL N N 12 119.528 116.555 2.973 2
1 29 . 1 1 A 4 4 LYS H H 13 8.542 8.887 -0.345 2
1 30 . 1 1 A 4 4 LYS HA H 13 4.752 4.778 -0.026 2
1 38 . 1 1 A 4 4 LYS CA C 13 55.339 55.770 -0.431 2
1 39 . 1 1 A 4 4 LYS CB C 13 33.640 33.417 0.223 2
1 43 . 1 1 A 4 4 LYS N N 13 125.901 125.777 0.124 2
1 44 . 1 1 A 5 5 LEU H H 14 8.887 8.835 0.052 2
1 45 . 1 1 A 5 5 LEU HA H 14 4.927 5.153 -0.226 2
1 51 . 1 1 A 5 5 LEU CA C 14 52.944 53.561 -0.617 2
1 52 . 1 1 A 5 5 LEU CB C 14 47.069 45.374 1.695 2
1 54 . 1 1 A 5 5 LEU N N 14 126.276 128.785 -2.509 2
1 55 . 1 1 A 6 6 ARG H H 15 9.361 8.657 0.704 2
1 56 . 1 1 A 6 6 ARG HA H 15 5.205 5.282 -0.076 2
1 61 . 1 1 A 6 6 ARG CA C 15 55.064 54.905 0.159 2
1 62 . 1 1 A 6 6 ARG CB C 15 31.979 32.073 -0.094 2
1 64 . 1 1 A 6 6 ARG N N 15 123.745 126.449 -2.704 2
1 65 . 1 1 A 7 7 LEU H H 16 9.694 8.767 0.927 2
1 66 . 1 1 A 7 7 LEU HA H 16 5.437 4.986 0.451 2
1 73 . 1 1 A 7 7 LEU CA C 16 53.777 53.625 0.152 2
1 74 . 1 1 A 7 7 LEU CB C 16 45.577 43.849 1.728 2
1 77 . 1 1 A 7 7 LEU N N 16 111.467 127.613 -16.146 2
1 78 . 1 1 A 8 8 THR H H 17 9.470 9.186 0.284 2
1 79 . 1 1 A 8 8 THR HA H 17 4.904 4.946 -0.042 2
1 84 . 1 1 A 8 8 THR CA C 17 62.827 62.260 0.567 2
1 85 . 1 1 A 8 8 THR CB C 17 69.540 69.261 0.279 2
1 87 . 1 1 A 8 8 THR N N 17 124.589 124.219 0.370 2
1 88 . 1 1 A 9 9 VAL H H 18 9.339 9.200 0.139 2
1 89 . 1 1 A 9 9 VAL HA H 18 4.374 4.200 0.174 2
1 97 . 1 1 A 9 9 VAL CA C 18 61.708 62.929 -1.221 2
1 98 . 1 1 A 9 9 VAL CB C 18 31.021 30.748 0.273 2
1 101 . 1 1 A 9 9 VAL N N 18 127.963 127.887 0.076 2
1 102 . 1 1 A 10 10 LEU H H 19 8.957 8.430 0.527 2
1 103 . 1 1 A 10 10 LEU HA H 19 4.334 4.270 0.064 2
1 113 . 1 1 A 10 10 LEU CA C 19 59.232 57.715 1.517 2
1 114 . 1 1 A 10 10 LEU CB C 19 43.525 42.786 0.739 2
1 118 . 1 1 A 10 10 LEU N N 19 127.775 129.588 -1.813 2
1 119 . 1 1 A 11 11 CYS H H 20 8.038 7.559 0.479 2
1 120 . 1 1 A 11 11 CYS HA H 20 5.152 4.629 0.523 2
1 123 . 1 1 A 11 11 CYS CA C 20 55.928 57.204 -1.276 2
1 124 . 1 1 A 11 11 CYS CB C 20 30.655 30.156 0.499 2
1 125 . 1 1 A 11 11 CYS N N 20 109.968 113.045 -3.077 2
1 126 . 1 1 A 12 12 ALA H H 21 8.485 8.382 0.103 2
1 127 . 1 1 A 12 12 ALA HA H 21 5.397 5.393 0.004 2
1 131 . 1 1 A 12 12 ALA CA C 21 50.707 50.522 0.185 2
1 132 . 1 1 A 12 12 ALA CB C 21 22.550 23.312 -0.762 2
1 133 . 1 1 A 12 12 ALA N N 21 119.247 123.603 -4.356 2
1 134 . 1 1 A 13 13 LYS H H 22 8.905 8.792 0.113 2
1 135 . 1 1 A 13 13 LYS HA H 22 5.144 4.726 0.418 2
1 141 . 1 1 A 13 13 LYS CA C 22 54.063 54.693 -0.630 2
1 142 . 1 1 A 13 13 LYS CB C 22 37.217 35.898 1.319 2
1 146 . 1 1 A 13 13 LYS N N 22 117.934 119.547 -1.613 2
1 147 . 1 1 A 14 14 ASN H H 23 9.099 8.982 0.117 2
1 148 . 1 1 A 14 14 ASN HA H 23 4.187 4.291 -0.104 2
1 153 . 1 1 A 14 14 ASN CA C 23 53.735 53.838 -0.103 2
1 154 . 1 1 A 14 14 ASN CB C 23 37.736 36.973 0.763 2
1 155 . 1 1 A 14 14 ASN N N 23 118.684 119.513 -0.829 2
1 157 . 1 1 A 15 15 LEU H H 24 8.294 7.954 0.340 2
1 158 . 1 1 A 15 15 LEU HA H 24 5.161 4.314 0.847 2
1 165 . 1 1 A 15 15 LEU CA C 24 55.261 54.699 0.562 2
1 166 . 1 1 A 15 15 LEU CB C 24 42.966 41.968 0.998 2
1 169 . 1 1 A 15 15 LEU N N 24 114.373 120.841 -6.468 2
1 170 . 1 1 A 16 16 VAL H H 25 8.533 8.514 0.019 2
1 171 . 1 1 A 16 16 VAL HA H 25 3.635 3.994 -0.359 2
1 179 . 1 1 A 16 16 VAL CA C 25 62.318 63.168 -0.850 2
1 180 . 1 1 A 16 16 VAL CB C 25 33.064 32.317 0.747 2
1 183 . 1 1 A 16 16 VAL N N 25 119.200 125.314 -6.114 2
1 184 . 1 1 A 17 17 LYS H H 26 7.950 8.398 -0.448 2
1 185 . 1 1 A 17 17 LYS HA H 26 4.302 4.064 0.238 2
1 192 . 1 1 A 17 17 LYS CA C 26 54.150 58.104 -3.954 2
1 193 . 1 1 A 17 17 LYS CB C 26 33.826 32.022 1.804 2
1 197 . 1 1 A 17 17 LYS N N 26 128.056 126.692 1.364 2
1 198 . 1 1 A 18 18 LYS H H 27 8.549 7.858 0.691 2
1 199 . 1 1 A 18 18 LYS HA H 27 4.078 3.871 0.207 2
1 207 . 1 1 A 18 18 LYS CA C 27 58.626 58.672 -0.046 2
1 208 . 1 1 A 18 18 LYS CB C 27 33.826 31.034 2.792 2
1 211 . 1 1 A 18 18 LYS N N 27 125.760 114.515 11.245 2
1 212 . 1 1 A 19 19 ASP H H 28 8.438 8.394 0.044 2
1 213 . 1 1 A 19 19 ASP HA H 28 4.801 4.864 -0.063 2
1 216 . 1 1 A 19 19 ASP CA C 28 52.964 53.559 -0.595 2
1 217 . 1 1 A 19 19 ASP CB C 28 43.518 42.130 1.388 2
1 218 . 1 1 A 19 19 ASP N N 28 119.247 119.159 0.088 2
1 219 . 1 1 A 20 20 PHE H H 29 8.506 8.745 -0.239 2
1 220 . 1 1 A 20 20 PHE HA H 29 4.049 4.094 -0.045 2
1 227 . 1 1 A 20 20 PHE CA C 29 60.767 60.612 0.155 2
1 228 . 1 1 A 20 20 PHE CB C 29 39.305 39.264 0.041 2
1 231 . 1 1 A 20 20 PHE N N 29 122.011 123.317 -1.306 2
1 232 . 1 1 A 21 21 PHE H H 30 8.350 8.500 -0.150 2
1 233 . 1 1 A 21 21 PHE HA H 30 4.677 4.327 0.350 2
1 240 . 1 1 A 21 21 PHE CA C 30 57.789 60.469 -2.680 2
1 241 . 1 1 A 21 21 PHE CB C 30 40.824 38.680 2.144 2
1 244 . 1 1 A 21 21 PHE N N 30 113.764 118.463 -4.699 2
1 245 . 1 1 A 22 22 ARG H H 31 7.631 7.829 -0.198 2
1 246 . 1 1 A 22 22 ARG HA H 31 4.614 4.766 -0.152 2
1 252 . 1 1 A 22 22 ARG CA C 31 55.325 54.788 0.537 2
1 253 . 1 1 A 22 22 ARG CB C 31 33.640 32.919 0.721 2
1 256 . 1 1 A 22 22 ARG N N 31 118.778 118.795 -0.017 2
1 257 . 1 1 A 23 23 LEU H H 32 8.699 8.624 0.075 2
1 258 . 1 1 A 23 23 LEU HA H 32 4.509 4.862 -0.353 2
1 268 . 1 1 A 23 23 LEU CA C 32 52.758 51.373 1.385 2
1 269 . 1 1 A 23 23 LEU CB C 32 42.593 45.339 -2.746 2
1 273 . 1 1 A 23 23 LEU N N 32 123.464 121.375 2.089 2
1 274 . 1 1 A 24 24 PRO HA H 33 4.648 5.000 -0.352 2
1 281 . 1 1 A 24 24 PRO CA C 33 62.753 62.141 0.612 2
1 282 . 1 1 A 24 24 PRO CB C 33 33.965 32.674 1.291 2
1 285 . 1 1 A 25 25 ASP H H 34 7.463 8.616 -1.153 2
1 286 . 1 1 A 25 25 ASP HA H 34 6.052 5.800 0.252 2
1 289 . 1 1 A 25 25 ASP CA C 34 51.080 51.811 -0.731 2
1 290 . 1 1 A 25 25 ASP CB C 34 42.779 41.752 1.027 2
1 291 . 1 1 A 25 25 ASP N N 34 117.091 121.447 -4.356 2
1 292 . 1 1 A 26 26 PRO HA H 35 5.968 5.110 0.858 2
1 299 . 1 1 A 26 26 PRO CA C 35 62.827 62.928 -0.101 2
1 300 . 1 1 A 26 26 PRO CB C 35 35.132 32.854 2.278 2
1 303 . 1 1 A 27 27 PHE H H 36 9.284 8.812 0.472 2
1 304 . 1 1 A 27 27 PHE HA H 36 5.009 5.286 -0.277 2
1 312 . 1 1 A 27 27 PHE CA C 36 56.301 56.116 0.185 2
1 313 . 1 1 A 27 27 PHE CB C 36 42.689 41.316 1.373 2
1 317 . 1 1 A 27 27 PHE N N 36 120.090 118.736 1.354 2
1 318 . 1 1 A 28 28 ALA H H 37 8.408 8.600 -0.192 2
1 319 . 1 1 A 28 28 ALA HA H 37 5.481 5.187 0.294 2
1 323 . 1 1 A 28 28 ALA CA C 37 49.186 49.801 -0.615 2
1 324 . 1 1 A 28 28 ALA CB C 37 20.389 22.736 -2.347 2
1 325 . 1 1 A 28 28 ALA N N 37 122.433 121.410 1.023 2
1 326 . 1 1 A 29 29 LYS H H 38 9.617 8.830 0.787 2
1 327 . 1 1 A 29 29 LYS HA H 38 5.267 5.377 -0.110 2
1 335 . 1 1 A 29 29 LYS CA C 38 54.901 54.946 -0.045 2
1 336 . 1 1 A 29 29 LYS CB C 38 36.624 35.712 0.912 2
1 340 . 1 1 A 29 29 LYS N N 38 121.964 119.483 2.482 2
1 341 . 1 1 A 30 30 VAL H H 39 9.159 8.875 0.284 2
1 342 . 1 1 A 30 30 VAL HA H 39 4.494 4.741 -0.247 2
1 350 . 1 1 A 30 30 VAL CA C 39 61.335 61.438 -0.103 2
1 351 . 1 1 A 30 30 VAL CB C 39 34.954 33.056 1.898 2
1 354 . 1 1 A 30 30 VAL N N 39 124.497 125.019 -0.522 2
1 355 . 1 1 A 31 31 VAL H H 40 8.659 8.723 -0.064 2
1 356 . 1 1 A 31 31 VAL HA H 40 5.091 4.884 0.207 2
1 364 . 1 1 A 31 31 VAL CA C 40 59.898 59.541 0.357 2
1 365 . 1 1 A 31 31 VAL CB C 40 36.959 35.597 1.362 2
1 368 . 1 1 A 31 31 VAL N N 40 124.589 121.532 3.057 2
1 369 . 1 1 A 32 32 VAL H H 41 7.786 8.624 -0.838 2
1 370 . 1 1 A 32 32 VAL HA H 41 4.660 4.549 0.111 2
1 378 . 1 1 A 32 32 VAL CA C 41 62.268 61.249 1.019 2
1 379 . 1 1 A 32 32 VAL CB C 41 30.995 32.288 -1.293 2
1 382 . 1 1 A 32 32 VAL N N 41 125.385 125.085 0.300 2
1 383 . 1 1 A 33 33 ASP H H 42 8.568 8.669 -0.102 2
1 384 . 1 1 A 33 33 ASP HA H 42 4.310 4.559 -0.249 2
1 386 . 1 1 A 33 33 ASP CA C 42 57.321 54.562 2.759 2
1 387 . 1 1 A 33 33 ASP CB C 42 40.727 39.945 0.782 2
1 388 . 1 1 A 33 33 ASP N N 42 130.868 128.277 2.591 2
1 389 . 1 1 A 34 34 GLY HA2 H 43 4.230 4.065 0.165 2
1 390 . 1 1 A 34 34 GLY HA3 H 43 3.818 4.070 -0.252 2
1 391 . 1 1 A 34 34 GLY CA C 43 46.510 45.338 1.172 2
1 392 . 1 1 A 35 35 SER H H 44 8.049 7.983 0.066 2
1 393 . 1 1 A 35 35 SER HA H 44 4.928 4.701 0.227 2
1 396 . 1 1 A 35 35 SER CA C 44 58.067 58.687 -0.620 2
1 397 . 1 1 A 35 35 SER CB C 44 67.393 64.953 2.440 2
1 398 . 1 1 A 35 35 SER N N 44 115.029 114.640 0.389 2
1 399 . 1 1 A 36 36 GLY H H 45 8.637 8.444 0.193 2
1 400 . 1 1 A 36 36 GLY HA2 H 45 4.338 3.959 0.379 2
1 401 . 1 1 A 36 36 GLY HA3 H 45 3.884 3.964 -0.080 2
1 402 . 1 1 A 36 36 GLY CA C 45 46.137 45.680 0.457 2
1 403 . 1 1 A 36 36 GLY N N 45 109.265 110.817 -1.552 2
1 404 . 1 1 A 37 37 GLN H H 46 8.329 7.840 0.489 2
1 405 . 1 1 A 37 37 GLN HA H 46 4.339 4.553 -0.214 2
1 412 . 1 1 A 37 37 GLN CA C 46 56.002 55.514 0.488 2
1 413 . 1 1 A 37 37 GLN CB C 46 30.241 30.114 0.127 2
1 415 . 1 1 A 37 37 GLN N N 46 120.699 119.674 1.025 2
1 417 . 1 1 A 38 38 CYS H H 47 7.787 8.774 -0.987 2
1 418 . 1 1 A 38 38 CYS HA H 47 5.257 5.757 -0.500 2
1 420 . 1 1 A 38 38 CYS CA C 47 56.761 56.887 -0.126 2
1 421 . 1 1 A 38 38 CYS CB C 47 29.250 30.818 -1.568 2
1 422 . 1 1 A 38 38 CYS N N 47 124.214 123.427 0.787 2
1 423 . 1 1 A 39 39 HIS H H 48 8.906 8.589 0.317 2
1 424 . 1 1 A 39 39 HIS HA H 48 4.730 5.025 -0.295 2
1 428 . 1 1 A 39 39 HIS CA C 48 54.888 54.192 0.696 2
1 429 . 1 1 A 39 39 HIS CB C 48 34.688 34.380 0.308 2
1 431 . 1 1 A 39 39 HIS N N 48 125.807 120.996 4.811 2
1 432 . 1 1 A 40 40 SER H H 49 8.728 8.711 0.017 2
1 433 . 1 1 A 40 40 SER HA H 49 5.732 5.434 0.298 2
1 436 . 1 1 A 40 40 SER CA C 49 57.041 57.314 -0.273 2
1 437 . 1 1 A 40 40 SER CB C 49 66.274 66.473 -0.199 2
1 438 . 1 1 A 40 40 SER N N 49 116.034 114.323 1.711 2
1 439 . 1 1 A 41 41 THR H H 50 9.212 8.843 0.369 2
1 440 . 1 1 A 41 41 THR HA H 50 4.477 5.012 -0.535 2
1 445 . 1 1 A 41 41 THR CA C 50 61.457 59.806 1.651 2
1 446 . 1 1 A 41 41 THR CB C 50 72.337 70.661 1.676 2
1 448 . 1 1 A 41 41 THR N N 50 115.404 112.926 2.478 2
1 449 . 1 1 A 42 42 ASP H H 51 9.424 8.643 0.781 2
1 450 . 1 1 A 42 42 ASP HA H 51 4.676 4.583 0.093 2
1 453 . 1 1 A 42 42 ASP CA C 51 54.996 54.768 0.228 2
1 454 . 1 1 A 42 42 ASP CB C 51 41.543 41.465 0.078 2
1 455 . 1 1 A 42 42 ASP N N 51 119.340 122.612 -3.272 2
1 456 . 1 1 A 43 43 THR H H 52 8.650 8.543 0.107 2
1 457 . 1 1 A 43 43 THR HA H 52 4.858 5.114 -0.256 2
1 462 . 1 1 A 43 43 THR CA C 52 62.637 62.153 0.484 2
1 463 . 1 1 A 43 43 THR CB C 52 70.191 70.396 -0.205 2
1 465 . 1 1 A 43 43 THR N N 52 117.836 117.759 0.077 2
1 466 . 1 1 A 44 44 VAL H H 53 8.266 9.191 -0.925 2
1 467 . 1 1 A 44 44 VAL HA H 53 4.363 4.593 -0.230 2
1 475 . 1 1 A 44 44 VAL CA C 53 61.086 60.986 0.100 2
1 476 . 1 1 A 44 44 VAL CB C 53 33.361 33.218 0.143 2
1 479 . 1 1 A 44 44 VAL N N 53 127.775 126.034 1.741 2
1 480 . 1 1 A 45 45 LYS H H 54 8.163 8.650 -0.487 2
1 481 . 1 1 A 45 45 LYS HA H 54 4.229 4.654 -0.425 2
1 487 . 1 1 A 45 45 LYS CA C 54 56.627 56.242 0.385 2
1 488 . 1 1 A 45 45 LYS CB C 54 33.739 33.225 0.514 2
1 492 . 1 1 A 45 45 LYS N N 54 120.934 126.041 -5.107 2
1 493 . 1 1 A 46 46 ASN H H 55 9.642 8.780 0.861 2
1 494 . 1 1 A 46 46 ASN HA H 55 4.150 4.587 -0.437 2
1 499 . 1 1 A 46 46 ASN CA C 55 54.029 53.833 0.196 2
1 500 . 1 1 A 46 46 ASN CB C 55 38.668 36.252 2.416 2
1 501 . 1 1 A 46 46 ASN N N 55 121.215 121.525 -0.310 2
1 503 . 1 1 A 47 47 THR H H 56 8.246 7.941 0.305 2
1 504 . 1 1 A 47 47 THR HA H 56 4.661 4.819 -0.159 2
1 509 . 1 1 A 47 47 THR CA C 56 60.963 60.341 0.622 2
1 510 . 1 1 A 47 47 THR CB C 56 68.512 69.971 -1.459 2
1 512 . 1 1 A 47 47 THR N N 56 111.936 117.442 -5.506 2
1 513 . 1 1 A 48 48 LEU H H 57 8.245 8.519 -0.274 2
1 514 . 1 1 A 48 48 LEU HA H 57 4.410 4.632 -0.222 2
1 524 . 1 1 A 48 48 LEU CA C 57 53.641 53.885 -0.244 2
1 525 . 1 1 A 48 48 LEU CB C 57 41.570 42.146 -0.576 2
1 529 . 1 1 A 48 48 LEU N N 57 122.433 124.592 -2.159 2
1 530 . 1 1 A 49 49 ASP H H 58 8.544 7.811 0.733 2
1 531 . 1 1 A 49 49 ASP HA H 58 5.419 5.034 0.385 2
1 534 . 1 1 A 49 49 ASP CA C 58 51.826 51.774 0.052 2
1 535 . 1 1 A 49 49 ASP CB C 58 44.085 40.831 3.254 2
1 536 . 1 1 A 49 49 ASP N N 58 116.903 118.410 -1.507 2
1 537 . 1 1 A 50 50 PRO HA H 59 3.790 4.479 -0.689 2
1 543 . 1 1 A 50 50 PRO CA C 59 63.219 62.036 1.183 2
1 544 . 1 1 A 50 50 PRO CB C 59 32.661 32.838 -0.177 2
1 547 . 1 1 A 51 51 LYS H H 60 7.806 7.905 -0.099 2
1 548 . 1 1 A 51 51 LYS HA H 60 4.224 4.652 -0.428 2
1 555 . 1 1 A 51 51 LYS CA C 60 55.521 54.796 0.725 2
1 556 . 1 1 A 51 51 LYS CB C 60 33.826 35.978 -2.152 2
1 560 . 1 1 A 51 51 LYS N N 60 119.996 116.688 3.308 2
1 561 . 1 1 A 52 52 TRP H H 61 7.791 8.290 -0.499 2
1 562 . 1 1 A 52 52 TRP HA H 61 4.824 4.869 -0.045 2
1 570 . 1 1 A 52 52 TRP CA C 61 60.590 57.668 2.922 2
1 571 . 1 1 A 52 52 TRP CB C 61 29.715 31.354 -1.639 2
1 576 . 1 1 A 52 52 TRP N N 61 122.386 120.089 2.297 2
1 578 . 1 1 A 53 53 ASN H H 62 9.040 8.114 0.926 2
1 579 . 1 1 A 53 53 ASN HA H 62 4.419 4.422 -0.003 2
1 584 . 1 1 A 53 53 ASN CA C 62 53.789 54.151 -0.362 2
1 585 . 1 1 A 53 53 ASN CB C 62 37.922 36.925 0.997 2
1 586 . 1 1 A 53 53 ASN N N 62 117.185 118.037 -0.852 2
1 588 . 1 1 A 54 54 GLN H H 63 7.512 7.399 0.113 2
1 589 . 1 1 A 54 54 GLN HA H 63 4.584 4.672 -0.088 2
1 596 . 1 1 A 54 54 GLN CA C 63 55.008 54.319 0.689 2
1 597 . 1 1 A 54 54 GLN CB C 63 34.938 31.217 3.721 2
1 599 . 1 1 A 54 54 GLN N N 63 116.341 117.973 -1.632 2
1 601 . 1 1 A 55 55 HIS H H 64 7.782 8.055 -0.273 2
1 602 . 1 1 A 55 55 HIS HA H 64 5.796 5.911 -0.115 2
1 606 . 1 1 A 55 55 HIS CA C 64 53.059 53.233 -0.174 2
1 607 . 1 1 A 55 55 HIS CB C 64 34.378 33.172 1.206 2
1 609 . 1 1 A 55 55 HIS N N 64 118.403 117.855 0.548 2
1 610 . 1 1 A 56 56 TYR H H 65 8.657 8.716 -0.059 2
1 611 . 1 1 A 56 56 TYR HA H 65 4.404 4.851 -0.447 2
1 618 . 1 1 A 56 56 TYR CA C 65 57.430 56.334 1.096 2
1 619 . 1 1 A 56 56 TYR CB C 65 42.958 41.665 1.293 2
1 622 . 1 1 A 56 56 TYR N N 65 116.435 119.368 -2.933 2
1 623 . 1 1 A 57 57 ASP H H 66 8.772 8.759 0.013 2
1 624 . 1 1 A 57 57 ASP HA H 66 5.283 5.248 0.035 2
1 627 . 1 1 A 57 57 ASP CA C 66 54.250 53.378 0.872 2
1 628 . 1 1 A 57 57 ASP CB C 66 40.914 41.603 -0.689 2
1 629 . 1 1 A 57 57 ASP N N 66 124.776 123.150 1.626 2
1 630 . 1 1 A 58 58 LEU H H 67 9.175 8.572 0.603 2
1 631 . 1 1 A 58 58 LEU HA H 67 4.589 4.755 -0.166 2
1 641 . 1 1 A 58 58 LEU CA C 67 53.131 53.565 -0.434 2
1 642 . 1 1 A 58 58 LEU CB C 67 45.060 44.508 0.552 2
1 645 . 1 1 A 58 58 LEU N N 67 124.558 124.992 -0.434 2
1 646 . 1 1 A 59 59 TYR H H 68 8.877 8.652 0.225 2
1 647 . 1 1 A 59 59 TYR HA H 68 5.096 5.310 -0.214 2
1 654 . 1 1 A 59 59 TYR CA C 68 57.606 57.883 -0.277 2
1 655 . 1 1 A 59 59 TYR CB C 68 39.422 40.329 -0.907 2
1 658 . 1 1 A 59 59 TYR N N 68 121.215 121.567 -0.352 2
1 659 . 1 1 A 60 60 ILE H H 69 9.162 8.830 0.332 2
1 660 . 1 1 A 60 60 ILE HA H 69 4.551 4.675 -0.124 2
1 670 . 1 1 A 60 60 ILE CA C 69 59.471 59.976 -0.505 2
1 671 . 1 1 A 60 60 ILE CB C 69 40.500 40.042 0.458 2
1 675 . 1 1 A 60 60 ILE N N 69 124.823 122.950 1.873 2
1 676 . 1 1 A 61 61 GLY H H 70 9.960 8.757 1.203 2
1 677 . 1 1 A 61 61 GLY HA2 H 70 4.517 4.165 0.352 2
1 678 . 1 1 A 61 61 GLY HA3 H 70 3.881 4.167 -0.286 2
1 679 . 1 1 A 61 61 GLY CA C 70 44.083 44.434 -0.351 2
1 680 . 1 1 A 61 61 GLY N N 70 117.841 114.838 3.003 2
1 681 . 1 1 A 62 62 LYS H H 71 8.605 8.817 -0.212 2
1 682 . 1 1 A 62 62 LYS HA H 71 4.090 4.002 0.088 2
1 687 . 1 1 A 62 62 LYS CA C 71 59.447 59.077 0.370 2
1 688 . 1 1 A 62 62 LYS CB C 71 33.453 32.194 1.259 2
1 692 . 1 1 A 62 62 LYS N N 71 119.434 120.665 -1.231 2
1 693 . 1 1 A 63 63 SER H H 72 8.544 7.992 0.552 2
1 694 . 1 1 A 63 63 SER HA H 72 4.811 4.687 0.124 2
1 696 . 1 1 A 63 63 SER CA C 72 57.606 56.839 0.767 2
1 697 . 1 1 A 63 63 SER CB C 72 64.013 63.501 0.512 2
1 698 . 1 1 A 63 63 SER N N 72 111.842 112.905 -1.063 2
1 699 . 1 1 A 64 64 ASP H H 73 7.247 8.253 -1.006 2
1 700 . 1 1 A 64 64 ASP HA H 73 4.867 5.281 -0.414 2
1 702 . 1 1 A 64 64 ASP CA C 73 55.500 53.096 2.403 2
1 703 . 1 1 A 64 64 ASP CB C 73 43.331 43.850 -0.519 2
1 704 . 1 1 A 64 64 ASP N N 73 121.964 124.860 -2.896 2
1 705 . 1 1 A 65 65 SER H H 74 8.742 8.737 0.005 2
1 706 . 1 1 A 65 65 SER HA H 74 5.074 5.207 -0.133 2
1 708 . 1 1 A 65 65 SER CA C 74 56.301 57.164 -0.863 2
1 709 . 1 1 A 65 65 SER CB C 74 67.579 66.555 1.024 2
1 710 . 1 1 A 65 65 SER N N 74 111.936 115.991 -4.055 2
1 711 . 1 1 A 66 66 VAL H H 75 8.622 8.392 0.230 2
1 712 . 1 1 A 66 66 VAL HA H 75 5.095 4.966 0.129 2
1 720 . 1 1 A 66 66 VAL CA C 75 60.217 60.590 -0.373 2
1 721 . 1 1 A 66 66 VAL CB C 75 36.617 35.227 1.390 2
1 724 . 1 1 A 66 66 VAL N N 75 119.422 121.681 -2.259 2
1 725 . 1 1 A 67 67 THR H H 76 9.152 8.760 0.392 2
1 726 . 1 1 A 67 67 THR HA H 76 5.199 4.982 0.217 2
1 731 . 1 1 A 67 67 THR CA C 76 63.014 61.911 1.103 2
1 732 . 1 1 A 67 67 THR CB C 76 69.703 71.205 -1.502 2
1 734 . 1 1 A 67 67 THR N N 76 123.839 122.839 1.000 2
1 735 . 1 1 A 68 68 ILE H H 77 9.106 8.977 0.129 2
1 736 . 1 1 A 68 68 ILE HA H 77 5.389 4.792 0.597 2
1 746 . 1 1 A 68 68 ILE CA C 77 59.844 60.439 -0.595 2
1 747 . 1 1 A 68 68 ILE CB C 77 40.347 38.851 1.496 2
1 751 . 1 1 A 68 68 ILE N N 77 129.275 129.593 -0.318 2
1 752 . 1 1 A 69 69 SER H H 78 9.645 9.043 0.602 2
1 753 . 1 1 A 69 69 SER HA H 78 5.265 5.377 -0.112 2
1 756 . 1 1 A 69 69 SER CA C 78 56.114 56.196 -0.082 2
1 757 . 1 1 A 69 69 SER CB C 78 66.087 65.982 0.105 2
1 758 . 1 1 A 69 69 SER N N 78 120.559 121.869 -1.310 2
1 759 . 1 1 A 70 70 VAL H H 79 8.482 8.394 0.088 2
1 760 . 1 1 A 70 70 VAL HA H 79 4.676 4.673 0.003 2
1 768 . 1 1 A 70 70 VAL CA C 79 60.852 61.016 -0.164 2
1 769 . 1 1 A 70 70 VAL CB C 79 32.992 33.817 -0.825 2
1 772 . 1 1 A 70 70 VAL N N 79 121.777 122.326 -0.549 2
1 773 . 1 1 A 71 71 TRP H H 80 8.627 8.418 0.209 2
1 774 . 1 1 A 71 71 TRP HA H 80 4.930 5.043 -0.113 2
1 783 . 1 1 A 71 71 TRP CA C 80 55.182 55.003 0.179 2
1 784 . 1 1 A 71 71 TRP CB C 80 34.058 32.892 1.166 2
1 790 . 1 1 A 71 71 TRP N N 80 124.474 126.579 -2.105 2
1 792 . 1 1 A 72 72 ASN H H 81 9.891 9.051 0.840 2
1 793 . 1 1 A 72 72 ASN HA H 81 4.789 5.008 -0.219 2
1 798 . 1 1 A 72 72 ASN CA C 81 51.049 52.245 -1.196 2
1 799 . 1 1 A 72 72 ASN CB C 81 39.091 38.203 0.888 2
1 800 . 1 1 A 72 72 ASN N N 81 116.435 121.963 -5.527 2
1 802 . 1 1 A 73 73 HIS H H 82 9.967 9.204 0.763 2
1 803 . 1 1 A 73 73 HIS HA H 82 4.499 4.381 0.118 2
1 806 . 1 1 A 73 73 HIS CA C 82 60.788 60.620 0.168 2
1 807 . 1 1 A 73 73 HIS CB C 82 32.327 30.759 1.568 2
1 808 . 1 1 A 73 73 HIS N N 82 127.963 126.133 1.829 2
1 809 . 1 1 A 74 74 LYS H H 83 7.764 8.307 -0.543 2
1 810 . 1 1 A 74 74 LYS HA H 83 4.297 3.899 0.398 2
1 817 . 1 1 A 74 74 LYS CA C 83 59.232 59.980 -0.748 2
1 818 . 1 1 A 74 74 LYS CB C 83 33.640 32.360 1.280 2
1 822 . 1 1 A 74 74 LYS N N 83 112.592 118.326 -5.734 2
1 823 . 1 1 A 75 75 LYS H H 84 7.626 7.755 -0.129 2
1 824 . 1 1 A 75 75 LYS HA H 84 4.607 4.196 0.411 2
1 832 . 1 1 A 75 75 LYS CA C 84 55.828 58.929 -3.101 2
1 833 . 1 1 A 75 75 LYS CB C 84 36.064 32.038 4.026 2
1 837 . 1 1 A 75 75 LYS N N 84 114.560 118.664 -4.104 2
1 838 . 1 1 A 76 76 ILE H H 85 7.021 8.091 -1.070 2
1 839 . 1 1 A 76 76 ILE HA H 85 4.132 4.166 -0.034 2
1 849 . 1 1 A 76 76 ILE CA C 85 64.013 64.267 -0.254 2
1 850 . 1 1 A 76 76 ILE CB C 85 39.146 37.537 1.609 2
1 854 . 1 1 A 76 76 ILE N N 85 113.811 117.317 -3.506 2
1 855 . 1 1 A 77 77 HIS H H 86 8.335 7.532 0.803 2
1 856 . 1 1 A 77 77 HIS HA H 86 4.612 4.262 0.350 2
1 859 . 1 1 A 77 77 HIS CA C 86 56.815 58.952 -2.137 2
1 860 . 1 1 A 77 77 HIS CB C 86 30.461 30.178 0.283 2
1 862 . 1 1 A 77 77 HIS N N 86 117.841 122.012 -4.171 2
1 863 . 1 1 A 78 78 LYS H H 87 7.587 7.626 -0.039 2
1 864 . 1 1 A 78 78 LYS HA H 87 4.094 3.986 0.108 2
1 870 . 1 1 A 78 78 LYS CA C 87 57.628 59.163 -1.535 2
1 871 . 1 1 A 78 78 LYS CB C 87 32.893 33.007 -0.114 2
1 875 . 1 1 A 78 78 LYS N N 87 120.652 119.747 0.905 2
1 876 . 1 1 A 79 79 LYS H H 88 7.585 7.648 -0.063 2
1 877 . 1 1 A 79 79 LYS HA H 88 4.304 4.468 -0.164 2
1 883 . 1 1 A 79 79 LYS CA C 88 56.467 56.640 -0.173 2
1 884 . 1 1 A 79 79 LYS CB C 88 34.013 33.324 0.689 2
1 888 . 1 1 A 79 79 LYS N N 88 115.872 117.885 -2.013 2
1 889 . 1 1 A 80 80 GLN H H 89 8.625 8.708 -0.083 2
1 890 . 1 1 A 80 80 GLN HA H 89 4.192 4.042 0.150 2
1 893 . 1 1 A 80 80 GLN CA C 89 57.590 57.616 -0.026 2
1 894 . 1 1 A 80 80 GLN CB C 89 28.331 28.033 0.298 2
1 896 . 1 1 A 80 80 GLN N N 89 121.308 120.853 0.455 2
1 897 . 1 1 A 81 81 GLY H H 90 8.791 8.737 0.054 2
1 898 . 1 1 A 81 81 GLY HA2 H 90 4.332 3.953 0.379 2
1 899 . 1 1 A 81 81 GLY HA3 H 90 3.850 3.982 -0.132 2
1 900 . 1 1 A 81 81 GLY CA C 90 45.950 46.158 -0.208 2
1 901 . 1 1 A 81 81 GLY N N 90 112.984 110.738 2.246 2
1 902 . 1 1 A 82 82 ALA H H 91 7.951 7.732 0.219 2
1 903 . 1 1 A 82 82 ALA HA H 91 4.485 4.150 0.335 2
1 907 . 1 1 A 82 82 ALA CA C 91 53.404 53.819 -0.415 2
1 908 . 1 1 A 82 82 ALA CB C 91 20.762 18.531 2.231 2
1 909 . 1 1 A 82 82 ALA N N 91 123.745 123.416 0.329 2
1 910 . 1 1 A 83 83 GLY H H 92 8.860 8.935 -0.075 2
1 911 . 1 1 A 83 83 GLY HA2 H 92 4.270 4.190 0.080 2
1 912 . 1 1 A 83 83 GLY HA3 H 92 4.262 4.265 -0.003 2
1 913 . 1 1 A 83 83 GLY CA C 92 46.689 45.482 1.207 2
1 914 . 1 1 A 83 83 GLY N N 92 105.564 111.054 -5.490 2
1 915 . 1 1 A 84 84 PHE H H 93 8.113 8.022 0.091 2
1 916 . 1 1 A 84 84 PHE HA H 93 3.440 4.390 -0.950 2
1 924 . 1 1 A 84 84 PHE CA C 93 59.932 57.274 2.658 2
1 925 . 1 1 A 84 84 PHE CB C 93 39.141 40.572 -1.431 2
1 929 . 1 1 A 84 84 PHE N N 93 121.215 120.821 0.394 2
1 930 . 1 1 A 85 85 LEU H H 94 8.204 7.573 0.631 2
1 931 . 1 1 A 85 85 LEU HA H 94 4.334 4.225 0.109 2
1 938 . 1 1 A 85 85 LEU CA C 94 53.569 55.156 -1.587 2
1 939 . 1 1 A 85 85 LEU CB C 94 43.255 43.269 -0.014 2
1 942 . 1 1 A 85 85 LEU N N 94 125.432 126.194 -0.762 2
1 943 . 1 1 A 86 86 GLY HA2 H 95 4.222 3.757 0.465 2
1 944 . 1 1 A 86 86 GLY HA3 H 95 3.147 3.849 -0.702 2
1 945 . 1 1 A 86 86 GLY CA C 95 45.570 45.141 0.429 2
1 946 . 1 1 A 87 87 CYS H H 96 9.230 8.744 0.486 2
1 947 . 1 1 A 87 87 CYS HA H 96 5.838 5.288 0.550 2
1 949 . 1 1 A 87 87 CYS CA C 96 55.882 57.478 -1.596 2
1 950 . 1 1 A 87 87 CYS CB C 96 33.259 29.295 3.964 2
1 951 . 1 1 A 87 87 CYS N N 96 114.935 122.161 -7.226 2
1 952 . 1 1 A 88 88 VAL H H 97 9.242 9.084 0.158 2
1 953 . 1 1 A 88 88 VAL HA H 97 4.575 4.814 -0.239 2
1 961 . 1 1 A 88 88 VAL CA C 97 61.769 60.238 1.531 2
1 962 . 1 1 A 88 88 VAL CB C 97 35.684 33.885 1.799 2
1 965 . 1 1 A 88 88 VAL N N 97 115.966 125.225 -9.259 2
1 966 . 1 1 A 89 89 ARG H H 98 8.665 9.117 -0.452 2
1 967 . 1 1 A 89 89 ARG HA H 98 5.166 5.186 -0.020 2
1 973 . 1 1 A 89 89 ARG CA C 98 54.929 54.446 0.483 2
1 974 . 1 1 A 89 89 ARG CB C 98 31.961 33.595 -1.634 2
1 977 . 1 1 A 89 89 ARG N N 98 125.526 129.523 -3.997 2
1 978 . 1 1 A 90 90 LEU H H 99 9.611 8.608 1.003 2
1 979 . 1 1 A 90 90 LEU HA H 99 4.644 5.183 -0.539 2
1 989 . 1 1 A 90 90 LEU CA C 99 53.217 53.122 0.095 2
1 990 . 1 1 A 90 90 LEU CB C 99 43.339 45.195 -1.856 2
1 994 . 1 1 A 90 90 LEU N N 99 127.119 126.680 0.439 2
1 995 . 1 1 A 91 91 LEU H H 100 7.953 8.609 -0.656 2
1 996 . 1 1 A 91 91 LEU HA H 100 4.540 4.706 -0.166 2
1 1005 . 1 1 A 91 91 LEU CA C 100 54.523 53.883 0.640 2
1 1006 . 1 1 A 91 91 LEU CB C 100 42.593 42.573 0.020 2
1 1010 . 1 1 A 91 91 LEU N N 100 122.527 124.910 -2.383 2
1 1011 . 1 1 A 92 92 SER H H 101 8.754 8.792 -0.038 2
1 1012 . 1 1 A 92 92 SER HA H 101 3.950 4.141 -0.191 2
1 1013 . 1 1 A 92 92 SER CA C 101 63.171 61.640 1.531 2
1 1014 . 1 1 A 92 92 SER N N 101 115.966 116.805 -0.839 2
1 1015 . 1 1 A 93 93 ASN H H 102 7.765 8.455 -0.690 2
1 1016 . 1 1 A 93 93 ASN HA H 102 4.500 4.457 0.043 2
1 1020 . 1 1 A 93 93 ASN CA C 102 56.487 56.200 0.286 2
1 1021 . 1 1 A 93 93 ASN CB C 102 37.514 37.884 -0.370 2
1 1022 . 1 1 A 93 93 ASN N N 102 116.950 119.260 -2.310 2
1 1024 . 1 1 A 94 94 ALA H H 103 7.345 7.697 -0.352 2
1 1025 . 1 1 A 94 94 ALA HA H 103 4.230 4.111 0.119 2
1 1029 . 1 1 A 94 94 ALA CA C 103 54.843 55.088 -0.245 2
1 1030 . 1 1 A 94 94 ALA CB C 103 19.643 18.341 1.302 2
1 1031 . 1 1 A 94 94 ALA N N 103 124.495 122.055 2.440 2
1 1032 . 1 1 A 95 95 ILE H H 104 8.322 8.176 0.146 2
1 1033 . 1 1 A 95 95 ILE HA H 104 3.280 3.613 -0.333 2
1 1043 . 1 1 A 95 95 ILE CA C 104 66.184 64.729 1.455 2
1 1044 . 1 1 A 95 95 ILE CB C 104 37.922 37.393 0.529 2
1 1048 . 1 1 A 95 95 ILE N N 104 119.310 119.401 -0.091 2
1 1049 . 1 1 A 96 96 ASN H H 105 7.815 7.940 -0.125 2
1 1050 . 1 1 A 96 96 ASN HA H 105 4.332 4.432 -0.100 2
1 1052 . 1 1 A 96 96 ASN CA C 105 56.487 56.281 0.206 2
1 1053 . 1 1 A 96 96 ASN CB C 105 38.855 38.519 0.336 2
1 1054 . 1 1 A 96 96 ASN N N 105 114.748 119.560 -4.812 2
1 1055 . 1 1 A 97 97 ARG H H 106 7.595 7.757 -0.162 2
1 1056 . 1 1 A 97 97 ARG HA H 106 4.257 4.093 0.164 2
1 1061 . 1 1 A 97 97 ARG CA C 106 58.294 58.910 -0.616 2
1 1062 . 1 1 A 97 97 ARG CB C 106 31.401 29.697 1.704 2
1 1065 . 1 1 A 97 97 ARG N N 106 117.934 118.941 -1.007 2
1 1066 . 1 1 A 98 98 LEU H H 107 8.179 8.370 -0.191 2
1 1067 . 1 1 A 98 98 LEU HA H 107 4.288 4.404 -0.116 2
1 1077 . 1 1 A 98 98 LEU CA C 107 55.735 57.503 -1.768 2
1 1078 . 1 1 A 98 98 LEU CB C 107 44.264 41.255 3.009 2
1 1082 . 1 1 A 98 98 LEU N N 107 116.341 119.329 -2.988 2
1 1083 . 1 1 A 99 99 LYS H H 108 8.058 8.676 -0.618 2
1 1084 . 1 1 A 99 99 LYS HA H 108 4.078 4.084 -0.006 2
1 1091 . 1 1 A 99 99 LYS CA C 108 58.256 58.908 -0.652 2
1 1092 . 1 1 A 99 99 LYS CB C 108 32.520 31.945 0.575 2
1 1096 . 1 1 A 99 99 LYS N N 108 123.558 118.048 5.510 2
1 1097 . 1 1 A 100 100 ASP H H 109 9.305 7.615 1.690 2
1 1098 . 1 1 A 100 100 ASP HA H 109 4.672 4.515 0.157 2
1 1101 . 1 1 A 100 100 ASP CA C 109 57.047 56.209 0.838 2
1 1102 . 1 1 A 100 100 ASP CB C 109 39.041 40.962 -1.921 2
1 1103 . 1 1 A 100 100 ASP N N 109 115.779 119.542 -3.763 2
1 1104 . 1 1 A 101 101 THR H H 110 7.546 7.632 -0.086 2
1 1105 . 1 1 A 101 101 THR HA H 110 4.675 4.149 0.526 2
1 1110 . 1 1 A 101 101 THR CA C 110 61.895 63.712 -1.817 2
1 1111 . 1 1 A 101 101 THR CB C 110 70.432 69.574 0.858 2
1 1113 . 1 1 A 101 101 THR N N 110 129.087 110.237 18.850 2
1 1114 . 1 1 A 102 102 GLY H H 111 8.921 8.125 0.796 2
1 1115 . 1 1 A 102 102 GLY HA2 H 111 4.337 3.784 0.552 2
1 1116 . 1 1 A 102 102 GLY HA3 H 111 3.563 3.807 -0.244 2
1 1117 . 1 1 A 102 102 GLY CA C 111 44.062 45.171 -1.109 2
1 1118 . 1 1 A 102 102 GLY N N 111 112.780 110.689 2.091 2
1 1119 . 1 1 A 103 103 TYR H H 112 8.255 7.993 0.262 2
1 1120 . 1 1 A 103 103 TYR HA H 112 4.574 5.358 -0.784 2
1 1127 . 1 1 A 103 103 TYR CA C 112 59.745 56.720 3.025 2
1 1128 . 1 1 A 103 103 TYR CB C 112 38.295 40.921 -2.626 2
1 1131 . 1 1 A 103 103 TYR N N 112 117.653 118.859 -1.206 2
1 1132 . 1 1 A 104 104 GLN H H 113 9.435 9.024 0.411 2
1 1133 . 1 1 A 104 104 GLN HA H 113 4.659 4.999 -0.340 2
1 1140 . 1 1 A 104 104 GLN CA C 113 53.852 54.650 -0.798 2
1 1141 . 1 1 A 104 104 GLN CB C 113 31.128 31.669 -0.541 2
1 1143 . 1 1 A 104 104 GLN N N 113 121.964 122.846 -0.882 2
1 1145 . 1 1 A 105 105 ARG H H 114 8.670 8.914 -0.244 2
1 1146 . 1 1 A 105 105 ARG HA H 114 4.838 5.011 -0.173 2
1 1151 . 1 1 A 105 105 ARG CA C 114 55.090 55.183 -0.093 2
1 1152 . 1 1 A 105 105 ARG CB C 114 31.401 30.978 0.423 2
1 1155 . 1 1 A 105 105 ARG N N 114 122.246 124.119 -1.873 2
1 1156 . 1 1 A 106 106 LEU H H 115 9.269 8.774 0.495 2
1 1157 . 1 1 A 106 106 LEU HA H 115 4.843 4.854 -0.012 2
1 1163 . 1 1 A 106 106 LEU CA C 115 53.317 53.646 -0.329 2
1 1164 . 1 1 A 106 106 LEU CB C 115 44.570 43.276 1.294 2
1 1166 . 1 1 A 106 106 LEU N N 115 126.088 126.198 -0.111 2
1 1167 . 1 1 A 107 107 ASP H H 116 8.582 8.709 -0.127 2
1 1168 . 1 1 A 107 107 ASP HA H 116 4.748 4.726 0.022 2
1 1171 . 1 1 A 107 107 ASP CA C 116 55.402 54.394 1.008 2
1 1172 . 1 1 A 107 107 ASP CB C 116 41.280 41.368 -0.088 2
1 1173 . 1 1 A 107 107 ASP N N 116 122.714 124.924 -2.210 2
1 1174 . 1 1 A 108 108 LEU H H 117 8.067 8.584 -0.517 2
1 1175 . 1 1 A 108 108 LEU HA H 117 4.195 4.621 -0.426 2
1 1185 . 1 1 A 108 108 LEU CA C 117 55.308 54.457 0.851 2
1 1186 . 1 1 A 108 108 LEU CB C 117 42.871 41.556 1.315 2
1 1190 . 1 1 A 108 108 LEU N N 117 121.121 124.612 -3.491 2
1 1191 . 1 1 A 109 109 CYS H H 118 9.705 8.714 0.991 2
1 1192 . 1 1 A 109 109 CYS HA H 118 4.839 5.060 -0.221 2
1 1195 . 1 1 A 109 109 CYS CA C 118 57.979 57.343 0.636 2
1 1196 . 1 1 A 109 109 CYS CB C 118 31.953 31.831 0.122 2
1 1197 . 1 1 A 109 109 CYS N N 118 118.403 122.444 -4.041 2
1 1198 . 1 1 A 110 110 LYS H H 119 8.419 8.360 0.059 2
1 1199 . 1 1 A 110 110 LYS HA H 119 4.426 4.524 -0.098 2
1 1207 . 1 1 A 110 110 LYS CA C 119 56.957 56.568 0.389 2
1 1208 . 1 1 A 110 110 LYS CB C 119 34.386 33.057 1.329 2
1 1212 . 1 1 A 110 110 LYS N N 119 120.090 120.326 -0.236 2
1 1213 . 1 1 A 111 111 LEU H H 120 9.016 8.325 0.691 2
1 1214 . 1 1 A 111 111 LEU HA H 120 4.054 3.970 0.084 2
1 1223 . 1 1 A 111 111 LEU CA C 120 57.694 57.082 0.612 2
1 1224 . 1 1 A 111 111 LEU CB C 120 43.062 42.141 0.921 2
1 1227 . 1 1 A 111 111 LEU N N 120 123.089 121.725 1.364 2
1 1228 . 1 1 A 112 112 GLY H H 121 7.578 7.383 0.195 2
1 1229 . 1 1 A 112 112 GLY HA2 H 121 4.320 4.034 0.286 2
1 1230 . 1 1 A 112 112 GLY HA3 H 121 3.863 4.044 -0.181 2
1 1231 . 1 1 A 112 112 GLY CA C 121 44.644 44.845 -0.201 2
1 1232 . 1 1 A 112 112 GLY N N 121 105.939 104.919 1.020 2
1 1233 . 1 1 A 113 113 PRO HA H 122 4.365 4.340 0.025 2
1 1240 . 1 1 A 113 113 PRO CA C 122 64.692 64.422 0.270 2
1 1241 . 1 1 A 113 113 PRO CB C 122 32.663 31.941 0.722 2
1 1244 . 1 1 A 114 114 ASN H H 123 8.603 8.627 -0.024 2
1 1245 . 1 1 A 114 114 ASN HA H 123 4.899 4.642 0.257 2
1 1250 . 1 1 A 114 114 ASN CA C 123 52.944 53.625 -0.681 2
1 1251 . 1 1 A 114 114 ASN CB C 123 39.041 38.146 0.895 2
1 1252 . 1 1 A 114 114 ASN N N 123 115.591 115.201 0.390 2
1 1254 . 1 1 A 115 115 ASP H H 124 7.507 7.814 -0.307 2
1 1255 . 1 1 A 115 115 ASP HA H 124 4.507 4.788 -0.281 2
1 1258 . 1 1 A 115 115 ASP CA C 124 54.843 53.429 1.414 2
1 1259 . 1 1 A 115 115 ASP CB C 124 41.620 41.926 -0.306 2
1 1260 . 1 1 A 115 115 ASP N N 124 121.215 119.517 1.698 2
1 1261 . 1 1 A 116 116 ASN H H 125 8.741 8.241 0.500 2
1 1262 . 1 1 A 116 116 ASN HA H 125 4.823 4.504 0.319 2
1 1267 . 1 1 A 116 116 ASN CA C 125 53.447 53.768 -0.321 2
1 1268 . 1 1 A 116 116 ASN CB C 125 43.830 37.648 6.182 2
1 1269 . 1 1 A 116 116 ASN N N 125 120.137 119.682 0.455 2
1 1271 . 1 1 A 117 117 ASP H H 126 8.039 8.406 -0.367 2
1 1272 . 1 1 A 117 117 ASP HA H 126 4.745 4.907 -0.162 2
1 1274 . 1 1 A 117 117 ASP CA C 126 54.436 53.257 1.179 2
1 1275 . 1 1 A 117 117 ASP CB C 126 42.046 41.291 0.755 2
1 1276 . 1 1 A 117 117 ASP N N 126 120.746 121.800 -1.054 2
1 1277 . 1 1 A 118 118 THR H H 127 8.361 8.231 0.130 2
1 1278 . 1 1 A 118 118 THR HA H 127 4.331 4.558 -0.227 2
1 1283 . 1 1 A 118 118 THR CA C 127 62.454 60.897 1.557 2
1 1284 . 1 1 A 118 118 THR CB C 127 70.191 68.141 2.050 2
1 1286 . 1 1 A 118 118 THR N N 127 116.903 112.787 4.116 2
1 1287 . 1 1 A 119 119 VAL H H 128 8.152 7.942 0.210 2
1 1288 . 1 1 A 119 119 VAL HA H 128 4.172 4.931 -0.759 2
1 1296 . 1 1 A 119 119 VAL CA C 128 61.051 59.651 1.400 2
1 1297 . 1 1 A 119 119 VAL CB C 128 35.124 35.483 -0.359 2
1 1300 . 1 1 A 119 119 VAL N N 128 119.903 121.113 -1.210 2
1 1301 . 1 1 A 120 120 ARG H H 129 7.884 8.681 -0.797 2
1 1302 . 1 1 A 120 120 ARG HA H 129 4.719 4.705 0.014 2
1 1307 . 1 1 A 120 120 ARG CA C 129 55.555 55.790 -0.235 2
1 1308 . 1 1 A 120 120 ARG CB C 129 34.945 32.383 2.562 2
1 1311 . 1 1 A 120 120 ARG N N 129 122.621 123.841 -1.220 2
1 1312 . 1 1 A 121 121 GLY H H 130 8.289 7.890 0.399 2
1 1313 . 1 1 A 121 121 GLY HA2 H 130 4.605 4.097 0.508 2
1 1314 . 1 1 A 121 121 GLY HA3 H 130 3.803 4.108 -0.305 2
1 1315 . 1 1 A 121 121 GLY CA C 130 45.756 45.163 0.593 2
1 1316 . 1 1 A 121 121 GLY N N 130 107.626 111.083 -3.457 2
1 1317 . 1 1 A 122 122 GLN H H 131 8.408 8.745 -0.337 2
1 1318 . 1 1 A 122 122 GLN HA H 131 5.434 5.256 0.178 2
1 1323 . 1 1 A 122 122 GLN CA C 131 54.809 54.148 0.661 2
1 1324 . 1 1 A 122 122 GLN CB C 131 34.756 33.398 1.358 2
1 1326 . 1 1 A 122 122 GLN N N 131 114.654 118.351 -3.697 2
1 1328 . 1 1 A 123 123 ILE H H 132 9.273 8.545 0.728 2
1 1329 . 1 1 A 123 123 ILE HA H 132 5.207 4.694 0.513 2
1 1339 . 1 1 A 123 123 ILE CA C 132 59.284 59.972 -0.689 2
1 1340 . 1 1 A 123 123 ILE CB C 132 44.085 41.624 2.461 2
1 1344 . 1 1 A 123 123 ILE N N 132 118.216 121.401 -3.185 2
1 1345 . 1 1 A 124 124 VAL H H 133 8.750 9.170 -0.420 2
1 1346 . 1 1 A 124 124 VAL HA H 133 5.338 4.777 0.561 2
1 1354 . 1 1 A 124 124 VAL CA C 133 61.611 61.419 0.192 2
1 1355 . 1 1 A 124 124 VAL CB C 133 32.620 32.879 -0.259 2
1 1358 . 1 1 A 124 124 VAL N N 133 126.088 128.826 -2.738 2
1 1359 . 1 1 A 125 125 VAL H H 134 8.698 9.218 -0.520 2
1 1360 . 1 1 A 125 125 VAL HA H 134 5.859 5.582 0.277 2
1 1368 . 1 1 A 125 125 VAL CA C 134 57.880 59.346 -1.466 2
1 1369 . 1 1 A 125 125 VAL CB C 134 36.990 36.212 0.777 2
1 1372 . 1 1 A 125 125 VAL N N 134 117.895 121.599 -3.704 2
1 1373 . 1 1 A 126 126 SER H H 135 8.746 8.790 -0.044 2
1 1374 . 1 1 A 126 126 SER HA H 135 4.881 5.323 -0.442 2
1 1377 . 1 1 A 126 126 SER CA C 135 56.860 56.862 -0.002 2
1 1378 . 1 1 A 126 126 SER CB C 135 66.695 65.808 0.887 2
1 1379 . 1 1 A 126 126 SER N N 135 112.967 115.198 -2.231 2
1 1380 . 1 1 A 127 127 LEU H H 136 9.710 8.945 0.765 2
1 1381 . 1 1 A 127 127 LEU HA H 136 5.244 5.006 0.238 2
1 1390 . 1 1 A 127 127 LEU CA C 136 54.436 53.469 0.967 2
1 1391 . 1 1 A 127 127 LEU CB C 136 46.137 42.639 3.498 2
1 1395 . 1 1 A 127 127 LEU N N 136 125.760 126.193 -0.433 2
1 1396 . 1 1 A 128 128 GLN H H 137 9.256 8.354 0.902 2
1 1397 . 1 1 A 128 128 GLN HA H 137 5.128 5.725 -0.597 2
1 1404 . 1 1 A 128 128 GLN CA C 137 54.063 54.468 -0.405 2
1 1405 . 1 1 A 128 128 GLN CB C 137 34.063 32.473 1.590 2
1 1407 . 1 1 A 128 128 GLN N N 137 125.526 125.209 0.317 2
1 1409 . 1 1 A 129 129 SER H H 138 8.222 8.620 -0.398 2
1 1410 . 1 1 A 129 129 SER HA H 138 4.476 4.574 -0.098 2
1 1413 . 1 1 A 129 129 SER CA C 138 60.814 58.104 2.710 2
1 1414 . 1 1 A 129 129 SER CB C 138 63.116 63.804 -0.689 2
1 1415 . 1 1 A 129 129 SER N N 138 125.620 119.331 6.289 2
1 1416 . 1 1 A 130 130 ARG H H 139 8.032 8.605 -0.573 2
1 1417 . 1 1 A 130 130 ARG HA H 139 4.601 4.535 0.066 2
1 1424 . 1 1 A 130 130 ARG CA C 139 53.934 55.424 -1.490 2
1 1425 . 1 1 A 130 130 ARG CB C 139 32.334 31.798 0.536 2
1 1428 . 1 1 A 130 130 ARG N N 139 123.136 124.269 -1.133 2
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