data_17858 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 17858 _Entry.PDB_ID 2LHN save_ save_delta_chem_shifts _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts _Entity_delta_chem_shifts.Model_type single _Entity_delta_chem_shifts.Entry_ID 17858 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_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.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 PRO HA H 405 4.356 4.356 4.617 -0.261 17858 2 1 1 . 1 1 2 2 PRO CA C 405 63.329 63.329 62.379 0.950 17858 3 1 1 . 1 1 2 2 PRO CB C 405 32.603 32.603 32.619 -0.016 17858 4 1 1 . 1 1 3 3 LEU N N 406 122.497 122.497 120.502 1.995 17858 5 1 1 . 1 1 3 3 LEU HA H 406 4.231 4.231 4.605 -0.374 17858 6 1 1 . 1 1 3 3 LEU CA C 406 55.838 55.838 54.784 1.054 17858 7 1 1 . 1 1 3 3 LEU CB C 406 42.529 42.529 43.474 -0.945 17858 8 1 1 . 1 1 3 3 LEU H H 406 8.571 8.571 8.181 0.390 17858 9 1 1 . 1 1 4 4 GLY N N 407 110.132 110.132 111.241 -1.109 17858 10 1 1 . 1 1 4 4 GLY CA C 407 45.746 45.746 44.562 1.184 17858 11 1 1 . 1 1 4 4 GLY H H 407 8.504 8.504 8.372 0.132 17858 12 1 1 . 1 1 5 5 SER N N 408 114.820 114.820 116.997 -2.177 17858 13 1 1 . 1 1 5 5 SER HA H 408 4.321 4.321 4.645 -0.324 17858 14 1 1 . 1 1 5 5 SER CA C 408 58.629 58.629 58.035 0.595 17858 15 1 1 . 1 1 5 5 SER CB C 408 64.171 64.171 63.895 0.276 17858 16 1 1 . 1 1 5 5 SER H H 408 8.087 8.087 8.576 -0.489 17858 17 1 1 . 1 1 6 6 GLU N N 409 122.539 122.539 122.464 0.075 17858 18 1 1 . 1 1 6 6 GLU HA H 409 4.137 4.137 4.503 -0.366 17858 19 1 1 . 1 1 6 6 GLU CA C 409 57.076 57.076 56.644 0.432 17858 20 1 1 . 1 1 6 6 GLU CB C 409 30.420 30.420 30.307 0.113 17858 21 1 1 . 1 1 6 6 GLU H H 409 8.483 8.483 8.308 0.175 17858 22 1 1 . 1 1 7 7 LYS N N 410 120.141 120.141 121.427 -1.286 17858 23 1 1 . 1 1 7 7 LYS HA H 410 4.332 4.332 4.478 -0.146 17858 24 1 1 . 1 1 7 7 LYS CA C 410 56.279 56.279 55.886 0.393 17858 25 1 1 . 1 1 7 7 LYS CB C 410 33.875 33.875 32.556 1.319 17858 26 1 1 . 1 1 7 7 LYS H H 410 7.997 7.997 8.241 -0.244 17858 27 1 1 . 1 1 8 8 SER N N 411 114.672 114.672 116.019 -1.347 17858 28 1 1 . 1 1 8 8 SER HA H 411 4.542 4.542 4.493 0.049 17858 29 1 1 . 1 1 8 8 SER CA C 411 56.092 56.092 56.921 -0.829 17858 30 1 1 . 1 1 8 8 SER CB C 411 65.009 65.009 63.781 1.228 17858 31 1 1 . 1 1 8 8 SER H H 411 8.214 8.214 7.737 0.477 17858 32 1 1 . 1 1 9 9 LEU N N 412 122.535 122.535 127.093 -4.558 17858 33 1 1 . 1 1 9 9 LEU HA H 412 3.938 3.938 4.054 -0.116 17858 34 1 1 . 1 1 9 9 LEU CA C 412 55.495 55.495 55.888 -0.393 17858 35 1 1 . 1 1 9 9 LEU CB C 412 42.864 42.864 42.366 0.498 17858 36 1 1 . 1 1 9 9 LEU H H 412 8.487 8.487 8.929 -0.442 17858 37 1 1 . 1 1 10 10 GLU N N 413 121.582 121.582 116.286 5.296 17858 38 1 1 . 1 1 10 10 GLU HA H 413 3.804 3.804 4.134 -0.330 17858 39 1 1 . 1 1 10 10 GLU CA C 413 57.749 57.749 57.828 -0.079 17858 40 1 1 . 1 1 10 10 GLU CB C 413 29.807 29.807 30.380 -0.573 17858 41 1 1 . 1 1 10 10 GLU H H 413 8.483 8.483 8.082 0.401 17858 42 1 1 . 1 1 11 11 GLN N N 414 124.052 124.052 117.600 6.452 17858 43 1 1 . 1 1 11 11 GLN HA H 414 3.768 3.768 4.725 -0.957 17858 44 1 1 . 1 1 11 11 GLN CA C 414 55.415 55.415 54.644 0.771 17858 45 1 1 . 1 1 11 11 GLN CB C 414 29.918 29.918 31.676 -1.758 17858 46 1 1 . 1 1 11 11 GLN H H 414 8.475 8.475 8.458 0.017 17858 47 1 1 . 1 1 12 12 CYS N N 415 129.067 129.067 123.557 5.510 17858 48 1 1 . 1 1 12 12 CYS HA H 415 3.668 3.668 4.265 -0.597 17858 49 1 1 . 1 1 12 12 CYS CA C 415 61.173 61.173 60.504 0.669 17858 50 1 1 . 1 1 12 12 CYS CB C 415 30.342 30.342 28.437 1.905 17858 51 1 1 . 1 1 12 12 CYS H H 415 9.290 9.290 8.518 0.772 17858 52 1 1 . 1 1 13 13 LYS N N 416 129.282 129.282 121.837 7.445 17858 53 1 1 . 1 1 13 13 LYS HA H 416 3.814 3.814 4.767 -0.953 17858 54 1 1 . 1 1 13 13 LYS CA C 416 58.772 58.772 56.842 1.930 17858 55 1 1 . 1 1 13 13 LYS CB C 416 32.186 32.186 32.407 -0.221 17858 56 1 1 . 1 1 13 13 LYS H H 416 8.623 8.623 8.860 -0.237 17858 57 1 1 . 1 1 14 14 PHE N N 417 119.338 119.338 118.652 0.686 17858 58 1 1 . 1 1 14 14 PHE HA H 417 4.613 4.613 4.624 -0.011 17858 59 1 1 . 1 1 14 14 PHE CA C 417 58.971 58.971 59.182 -0.211 17858 60 1 1 . 1 1 14 14 PHE CB C 417 39.352 39.352 40.555 -1.203 17858 61 1 1 . 1 1 14 14 PHE H H 417 8.603 8.603 7.847 0.756 17858 62 1 1 . 1 1 15 15 GLY N N 418 107.206 107.206 107.604 -0.398 17858 63 1 1 . 1 1 15 15 GLY CA C 418 47.937 47.937 46.545 1.392 17858 64 1 1 . 1 1 15 15 GLY H H 418 7.472 7.472 8.634 -1.162 17858 65 1 1 . 1 1 16 16 THR N N 419 117.234 117.234 117.802 -0.568 17858 66 1 1 . 1 1 16 16 THR HA H 419 4.002 4.002 4.397 -0.395 17858 67 1 1 . 1 1 16 16 THR CA C 419 63.842 63.842 62.547 1.295 17858 68 1 1 . 1 1 16 16 THR CB C 419 68.778 68.778 68.746 0.033 17858 69 1 1 . 1 1 16 16 THR H H 419 8.740 8.740 8.588 0.152 17858 70 1 1 . 1 1 17 17 HIS N N 420 118.028 118.028 120.728 -2.700 17858 71 1 1 . 1 1 17 17 HIS HA H 420 4.581 4.581 4.874 -0.293 17858 72 1 1 . 1 1 17 17 HIS CA C 420 55.612 55.612 55.499 0.112 17858 73 1 1 . 1 1 17 17 HIS CB C 420 29.751 29.751 30.112 -0.361 17858 74 1 1 . 1 1 17 17 HIS H H 420 8.059 8.059 7.677 0.382 17858 75 1 1 . 1 1 18 18 CYS N N 421 122.824 122.824 120.236 2.588 17858 76 1 1 . 1 1 18 18 CYS HA H 421 3.849 3.849 4.221 -0.372 17858 77 1 1 . 1 1 18 18 CYS CA C 421 61.733 61.733 59.740 1.993 17858 78 1 1 . 1 1 18 18 CYS CB C 421 30.570 30.570 26.561 4.009 17858 79 1 1 . 1 1 18 18 CYS H H 421 7.288 7.288 8.169 -0.881 17858 80 1 1 . 1 1 19 19 THR N N 422 119.018 119.018 120.483 -1.465 17858 81 1 1 . 1 1 19 19 THR HA H 422 4.348 4.348 4.388 -0.040 17858 82 1 1 . 1 1 19 19 THR CA C 422 61.292 61.292 60.944 0.348 17858 83 1 1 . 1 1 19 19 THR CB C 422 69.612 69.612 68.483 1.129 17858 84 1 1 . 1 1 19 19 THR H H 422 8.435 8.435 7.938 0.497 17858 85 1 1 . 1 1 20 20 ASN N N 423 121.923 121.923 120.419 1.504 17858 86 1 1 . 1 1 20 20 ASN HA H 423 4.690 4.690 4.860 -0.170 17858 87 1 1 . 1 1 20 20 ASN CA C 423 52.203 52.203 52.389 -0.186 17858 88 1 1 . 1 1 20 20 ASN CB C 423 38.747 38.747 40.812 -2.065 17858 89 1 1 . 1 1 20 20 ASN H H 423 7.924 7.924 7.881 0.043 17858 90 1 1 . 1 1 21 21 LYS N N 424 127.775 127.775 123.691 4.084 17858 91 1 1 . 1 1 21 21 LYS HA H 424 3.922 3.922 4.089 -0.167 17858 92 1 1 . 1 1 21 21 LYS CA C 424 58.647 58.647 57.985 0.662 17858 93 1 1 . 1 1 21 21 LYS CB C 424 32.289 32.289 33.015 -0.726 17858 94 1 1 . 1 1 21 21 LYS H H 424 9.094 9.094 8.679 0.415 17858 95 1 1 . 1 1 22 22 ARG N N 425 116.206 116.206 115.850 0.356 17858 96 1 1 . 1 1 22 22 ARG HA H 425 4.270 4.270 4.513 -0.243 17858 97 1 1 . 1 1 22 22 ARG CA C 425 54.832 54.832 54.770 0.062 17858 98 1 1 . 1 1 22 22 ARG CB C 425 29.549 29.549 29.054 0.495 17858 99 1 1 . 1 1 22 22 ARG H H 425 7.825 7.825 7.625 0.200 17858 100 1 1 . 1 1 23 23 CYS N N 426 123.387 123.387 121.456 1.931 17858 101 1 1 . 1 1 23 23 CYS HA H 426 3.867 3.867 4.439 -0.572 17858 102 1 1 . 1 1 23 23 CYS CA C 426 62.205 62.205 60.442 1.763 17858 103 1 1 . 1 1 23 23 CYS CB C 426 30.940 30.940 28.827 2.113 17858 104 1 1 . 1 1 23 23 CYS H H 426 7.273 7.273 8.249 -0.976 17858 105 1 1 . 1 1 24 24 LYS N N 427 128.443 128.443 127.248 1.195 17858 106 1 1 . 1 1 24 24 LYS HA H 427 4.299 4.299 4.262 0.037 17858 107 1 1 . 1 1 24 24 LYS CA C 427 57.047 57.047 55.640 1.407 17858 108 1 1 . 1 1 24 24 LYS CB C 427 33.275 33.275 31.329 1.946 17858 109 1 1 . 1 1 24 24 LYS H H 427 8.525 8.525 8.492 0.033 17858 110 1 1 . 1 1 25 25 TYR N N 428 123.059 123.059 115.320 7.739 17858 111 1 1 . 1 1 25 25 TYR HA H 428 4.569 4.569 4.669 -0.100 17858 112 1 1 . 1 1 25 25 TYR CA C 428 58.470 58.470 56.665 1.805 17858 113 1 1 . 1 1 25 25 TYR CB C 428 39.830 39.830 41.895 -2.065 17858 114 1 1 . 1 1 25 25 TYR H H 428 8.066 8.066 7.478 0.588 17858 115 1 1 . 1 1 26 26 ARG N N 429 116.840 116.840 117.894 -1.054 17858 116 1 1 . 1 1 26 26 ARG HA H 429 4.429 4.429 4.504 -0.075 17858 117 1 1 . 1 1 26 26 ARG CA C 429 58.979 58.979 54.649 4.330 17858 118 1 1 . 1 1 26 26 ARG CB C 429 33.073 33.073 32.215 0.858 17858 119 1 1 . 1 1 26 26 ARG H H 429 8.275 8.275 8.373 -0.098 17858 120 1 1 . 1 1 27 27 HIS N N 430 117.522 117.522 119.267 -1.745 17858 121 1 1 . 1 1 27 27 HIS HA H 430 4.553 4.553 4.904 -0.351 17858 122 1 1 . 1 1 27 27 HIS CA C 430 56.912 56.912 55.134 1.778 17858 123 1 1 . 1 1 27 27 HIS CB C 430 30.715 30.715 33.611 -2.896 17858 124 1 1 . 1 1 27 27 HIS H H 430 8.154 8.154 8.803 -0.649 17858 125 1 1 . 1 1 28 28 ALA N N 431 126.087 126.087 125.814 0.273 17858 126 1 1 . 1 1 28 28 ALA HA H 431 4.106 4.106 4.578 -0.472 17858 127 1 1 . 1 1 28 28 ALA CA C 431 51.833 51.833 51.835 -0.002 17858 128 1 1 . 1 1 28 28 ALA CB C 431 18.291 18.291 19.609 -1.318 17858 129 1 1 . 1 1 28 28 ALA H H 431 8.061 8.061 8.847 -0.786 17858 130 1 1 . 1 1 29 29 ARG N N 432 121.538 121.538 122.448 -0.910 17858 131 1 1 . 1 1 29 29 ARG HA H 432 4.280 4.280 4.621 -0.341 17858 132 1 1 . 1 1 29 29 ARG CA C 432 55.492 55.492 56.092 -0.600 17858 133 1 1 . 1 1 29 29 ARG CB C 432 31.353 31.353 30.711 0.642 17858 134 1 1 . 1 1 29 29 ARG H H 432 8.630 8.630 9.004 -0.374 17858 135 1 1 . 1 1 30 30 SER N N 433 112.439 112.439 113.954 -1.515 17858 136 1 1 . 1 1 30 30 SER HA H 433 4.463 4.463 4.376 0.087 17858 137 1 1 . 1 1 30 30 SER CA C 433 56.566 56.566 57.598 -1.032 17858 138 1 1 . 1 1 30 30 SER CB C 433 64.803 64.803 64.428 0.375 17858 139 1 1 . 1 1 30 30 SER H H 433 7.450 7.450 7.733 -0.283 17858 140 1 1 . 1 1 31 31 HIS N N 434 121.494 121.494 118.280 3.214 17858 141 1 1 . 1 1 31 31 HIS HA H 434 4.279 4.279 4.536 -0.257 17858 142 1 1 . 1 1 31 31 HIS CA C 434 56.955 56.955 54.985 1.970 17858 143 1 1 . 1 1 31 31 HIS CB C 434 29.834 29.834 28.773 1.061 17858 144 1 1 . 1 1 31 31 HIS H H 434 8.132 8.132 8.331 -0.199 17858 145 1 1 . 1 1 32 32 ILE N N 435 123.851 123.851 123.531 0.320 17858 146 1 1 . 1 1 32 32 ILE HA H 435 3.506 3.506 3.875 -0.369 17858 147 1 1 . 1 1 32 32 ILE CA C 435 61.345 61.345 59.242 2.103 17858 148 1 1 . 1 1 32 32 ILE CB C 435 37.765 37.765 36.558 1.207 17858 149 1 1 . 1 1 32 32 ILE H H 435 7.858 7.858 7.976 -0.118 17858 150 1 1 . 1 1 33 33 MET N N 436 125.294 125.294 124.519 0.775 17858 151 1 1 . 1 1 33 33 MET HA H 436 4.050 4.050 4.697 -0.647 17858 152 1 1 . 1 1 33 33 MET CA C 436 54.733 54.733 55.925 -1.192 17858 153 1 1 . 1 1 33 33 MET CB C 436 31.934 31.934 33.786 -1.852 17858 154 1 1 . 1 1 33 33 MET H H 436 8.317 8.317 8.358 -0.041 17858 155 1 1 . 1 1 34 34 CYS N N 437 127.958 127.958 119.470 8.488 17858 156 1 1 . 1 1 34 34 CYS HA H 437 3.389 3.389 5.098 -1.709 17858 157 1 1 . 1 1 34 34 CYS CA C 437 61.544 61.544 58.250 3.294 17858 158 1 1 . 1 1 34 34 CYS CB C 437 31.325 31.325 29.637 1.688 17858 159 1 1 . 1 1 34 34 CYS H H 437 9.255 9.255 8.382 0.873 17858 160 1 1 . 1 1 35 35 ARG N N 438 131.582 131.582 127.462 4.120 17858 161 1 1 . 1 1 35 35 ARG HA H 438 3.887 3.887 4.161 -0.274 17858 162 1 1 . 1 1 35 35 ARG CA C 438 59.466 59.466 58.781 0.685 17858 163 1 1 . 1 1 35 35 ARG CB C 438 30.251 30.251 30.022 0.229 17858 164 1 1 . 1 1 35 35 ARG H H 438 8.645 8.645 9.128 -0.483 17858 165 1 1 . 1 1 36 36 GLU N N 439 117.530 117.530 118.246 -0.716 17858 166 1 1 . 1 1 36 36 GLU HA H 439 4.284 4.284 4.283 0.001 17858 167 1 1 . 1 1 36 36 GLU CA C 439 57.440 57.440 56.178 1.262 17858 168 1 1 . 1 1 36 36 GLU CB C 439 30.295 30.295 29.694 0.601 17858 169 1 1 . 1 1 36 36 GLU H H 439 8.302 8.302 8.232 0.070 17858 170 1 1 . 1 1 37 37 GLY N N 440 107.589 107.589 108.730 -1.141 17858 171 1 1 . 1 1 37 37 GLY CA C 440 47.353 47.353 45.668 1.685 17858 172 1 1 . 1 1 37 37 GLY H H 440 7.518 7.518 8.147 -0.629 17858 173 1 1 . 1 1 38 38 ALA N N 441 126.673 126.673 125.135 1.538 17858 174 1 1 . 1 1 38 38 ALA HA H 441 4.180 4.180 4.180 0.000 17858 175 1 1 . 1 1 38 38 ALA CA C 441 53.717 53.717 52.896 0.821 17858 176 1 1 . 1 1 38 38 ALA CB C 441 19.127 19.127 18.373 0.753 17858 177 1 1 . 1 1 38 38 ALA H H 441 9.114 9.114 8.483 0.631 17858 178 1 1 . 1 1 39 39 ASN N N 442 113.951 113.951 115.889 -1.938 17858 179 1 1 . 1 1 39 39 ASN HA H 442 4.655 4.655 4.776 -0.121 17858 180 1 1 . 1 1 39 39 ASN CA C 442 52.940 52.940 53.020 -0.080 17858 181 1 1 . 1 1 39 39 ASN CB C 442 39.264 39.264 39.660 -0.396 17858 182 1 1 . 1 1 39 39 ASN H H 442 8.072 8.072 7.714 0.358 17858 183 1 1 . 1 1 40 40 CYS N N 443 122.245 122.245 119.098 3.147 17858 184 1 1 . 1 1 40 40 CYS HA H 443 4.070 4.070 4.237 -0.167 17858 185 1 1 . 1 1 40 40 CYS CA C 443 60.661 60.661 59.773 0.888 17858 186 1 1 . 1 1 40 40 CYS CB C 443 31.037 31.037 27.993 3.044 17858 187 1 1 . 1 1 40 40 CYS H H 443 7.237 7.237 7.418 -0.181 17858 188 1 1 . 1 1 41 41 THR N N 444 120.684 120.684 119.343 1.341 17858 189 1 1 . 1 1 41 41 THR HA H 444 4.411 4.411 4.380 0.031 17858 190 1 1 . 1 1 41 41 THR CA C 444 61.110 61.110 61.500 -0.390 17858 191 1 1 . 1 1 41 41 THR CB C 444 68.937 68.937 68.729 0.208 17858 192 1 1 . 1 1 41 41 THR H H 444 9.033 9.033 8.391 0.642 17858 193 1 1 . 1 1 42 42 ARG N N 445 123.977 123.977 121.364 2.613 17858 194 1 1 . 1 1 42 42 ARG HA H 445 4.329 4.329 4.443 -0.114 17858 195 1 1 . 1 1 42 42 ARG CA C 445 56.416 56.416 55.079 1.337 17858 196 1 1 . 1 1 42 42 ARG CB C 445 30.604 30.604 32.739 -2.135 17858 197 1 1 . 1 1 42 42 ARG H H 445 7.927 7.927 7.321 0.606 17858 198 1 1 . 1 1 43 43 ILE N N 446 132.203 132.203 122.288 9.915 17858 199 1 1 . 1 1 43 43 ILE HA H 446 3.609 3.609 4.077 -0.468 17858 200 1 1 . 1 1 43 43 ILE CA C 446 63.023 63.023 61.711 1.312 17858 201 1 1 . 1 1 43 43 ILE CB C 446 38.463 38.463 38.794 -0.331 17858 202 1 1 . 1 1 43 43 ILE H H 446 9.010 9.010 8.608 0.402 17858 203 1 1 . 1 1 44 44 ASP N N 447 116.309 116.309 117.448 -1.139 17858 204 1 1 . 1 1 44 44 ASP HA H 447 4.555 4.555 4.617 -0.062 17858 205 1 1 . 1 1 44 44 ASP CA C 447 52.727 52.727 52.634 0.093 17858 206 1 1 . 1 1 44 44 ASP CB C 447 40.177 40.177 38.995 1.182 17858 207 1 1 . 1 1 44 44 ASP H H 447 8.191 8.191 8.104 0.087 17858 208 1 1 . 1 1 45 45 CYS N N 448 121.173 121.173 119.918 1.255 17858 209 1 1 . 1 1 45 45 CYS HA H 448 3.913 3.913 4.443 -0.530 17858 210 1 1 . 1 1 45 45 CYS CA C 448 62.082 62.082 59.130 2.951 17858 211 1 1 . 1 1 45 45 CYS CB C 448 31.510 31.510 27.638 3.872 17858 212 1 1 . 1 1 45 45 CYS H H 448 7.113 7.113 7.885 -0.772 17858 213 1 1 . 1 1 46 46 LEU N N 449 128.150 128.150 127.697 0.453 17858 214 1 1 . 1 1 46 46 LEU HA H 449 4.657 4.657 4.761 -0.104 17858 215 1 1 . 1 1 46 46 LEU CA C 449 55.144 55.144 53.928 1.216 17858 216 1 1 . 1 1 46 46 LEU CB C 449 43.004 43.004 41.303 1.701 17858 217 1 1 . 1 1 46 46 LEU H H 449 8.451 8.451 8.499 -0.048 17858 218 1 1 . 1 1 47 47 PHE N N 450 120.646 120.646 119.800 0.846 17858 219 1 1 . 1 1 47 47 PHE HA H 450 4.527 4.527 4.845 -0.318 17858 220 1 1 . 1 1 47 47 PHE CA C 450 58.198 58.198 54.607 3.591 17858 221 1 1 . 1 1 47 47 PHE CB C 450 39.901 39.901 40.835 -0.934 17858 222 1 1 . 1 1 47 47 PHE H H 450 8.390 8.390 7.227 1.163 17858 223 1 1 . 1 1 48 48 GLY N N 451 104.118 104.118 109.049 -4.931 17858 224 1 1 . 1 1 48 48 GLY CA C 451 47.675 47.675 44.883 2.792 17858 225 1 1 . 1 1 48 48 GLY H H 451 8.643 8.643 8.362 0.281 17858 226 1 1 . 1 1 49 49 HIS N N 452 119.710 119.710 125.315 -5.605 17858 227 1 1 . 1 1 49 49 HIS HA H 452 4.725 4.725 4.777 -0.052 17858 228 1 1 . 1 1 49 49 HIS CA C 452 54.408 54.408 52.721 1.687 17858 229 1 1 . 1 1 49 49 HIS CB C 452 29.515 29.515 31.676 -2.161 17858 230 1 1 . 1 1 49 49 HIS H H 452 6.951 6.951 8.011 -1.060 17858 231 1 1 . 1 1 50 50 PRO HA H 453 4.291 4.291 4.399 -0.108 17858 232 1 1 . 1 1 50 50 PRO CA C 453 63.872 63.872 63.038 0.835 17858 233 1 1 . 1 1 50 50 PRO CB C 453 32.724 32.724 32.691 0.033 17858 234 1 1 . 1 1 51 51 ILE N N 454 122.942 122.942 118.593 4.349 17858 235 1 1 . 1 1 51 51 ILE HA H 454 3.787 3.787 4.246 -0.459 17858 236 1 1 . 1 1 51 51 ILE CA C 454 61.010 61.010 60.098 0.912 17858 237 1 1 . 1 1 51 51 ILE CB C 454 40.204 40.204 42.898 -2.694 17858 238 1 1 . 1 1 51 51 ILE H H 454 8.189 8.189 8.028 0.161 17858 239 1 1 . 1 1 52 52 ASN N N 455 128.496 128.496 124.161 4.335 17858 240 1 1 . 1 1 52 52 ASN HA H 455 4.641 4.641 4.704 -0.063 17858 241 1 1 . 1 1 52 52 ASN CA C 455 52.832 52.832 54.179 -1.347 17858 242 1 1 . 1 1 52 52 ASN CB C 455 36.969 36.969 38.353 -1.384 17858 243 1 1 . 1 1 52 52 ASN H H 455 8.791 8.791 8.673 0.118 17858 244 1 1 . 1 1 53 53 GLU N N 456 120.059 120.059 122.481 -2.422 17858 245 1 1 . 1 1 53 53 GLU HA H 456 4.318 4.318 4.490 -0.172 17858 246 1 1 . 1 1 53 53 GLU CA C 456 55.588 55.588 54.857 0.731 17858 247 1 1 . 1 1 53 53 GLU CB C 456 33.826 33.826 34.382 -0.556 17858 248 1 1 . 1 1 53 53 GLU H H 456 8.177 8.177 7.936 0.241 17858 249 1 1 . 1 1 54 54 ASP N N 457 124.404 124.404 121.758 2.646 17858 250 1 1 . 1 1 54 54 ASP HA H 457 4.446 4.446 5.238 -0.792 17858 251 1 1 . 1 1 54 54 ASP CA C 457 55.594 55.594 53.420 2.174 17858 252 1 1 . 1 1 54 54 ASP CB C 457 41.033 41.033 41.898 -0.865 17858 253 1 1 . 1 1 54 54 ASP H H 457 8.923 8.923 8.413 0.510 17858 254 1 1 . 1 1 55 55 CYS N N 458 125.765 125.765 124.573 1.192 17858 255 1 1 . 1 1 55 55 CYS HA H 458 3.360 3.360 4.285 -0.925 17858 256 1 1 . 1 1 55 55 CYS CA C 458 61.284 61.284 59.507 1.777 17858 257 1 1 . 1 1 55 55 CYS CB C 458 31.125 31.125 29.326 1.799 17858 258 1 1 . 1 1 55 55 CYS H H 458 9.113 9.113 8.030 1.083 17858 259 1 1 . 1 1 56 56 ARG N N 459 130.790 130.790 123.592 7.198 17858 260 1 1 . 1 1 56 56 ARG HA H 459 3.875 3.875 4.099 -0.224 17858 261 1 1 . 1 1 56 56 ARG CA C 459 58.610 58.610 57.905 0.705 17858 262 1 1 . 1 1 56 56 ARG CB C 459 29.566 29.566 29.702 -0.136 17858 263 1 1 . 1 1 56 56 ARG H H 459 8.601 8.601 8.467 0.134 17858 264 1 1 . 1 1 57 57 PHE N N 460 119.175 119.175 118.297 0.878 17858 265 1 1 . 1 1 57 57 PHE HA H 460 4.560 4.560 4.491 0.069 17858 266 1 1 . 1 1 57 57 PHE CA C 460 58.367 58.367 58.349 0.018 17858 267 1 1 . 1 1 57 57 PHE CB C 460 39.049 39.049 39.687 -0.638 17858 268 1 1 . 1 1 57 57 PHE H H 460 8.589 8.589 7.722 0.867 17858 269 1 1 . 1 1 58 58 GLY N N 461 107.317 107.317 106.716 0.601 17858 270 1 1 . 1 1 58 58 GLY CA C 461 47.253 47.253 45.253 2.000 17858 271 1 1 . 1 1 58 58 GLY H H 461 7.386 7.386 8.534 -1.148 17858 272 1 1 . 1 1 59 59 VAL N N 462 120.829 120.829 117.641 3.188 17858 273 1 1 . 1 1 59 59 VAL HA H 462 3.674 3.674 4.330 -0.656 17858 274 1 1 . 1 1 59 59 VAL CA C 462 64.142 64.142 62.749 1.393 17858 275 1 1 . 1 1 59 59 VAL CB C 462 32.275 32.275 32.120 0.155 17858 276 1 1 . 1 1 59 59 VAL H H 462 8.881 8.881 8.268 0.613 17858 277 1 1 . 1 1 60 60 ASN N N 463 114.923 114.923 117.614 -2.691 17858 278 1 1 . 1 1 60 60 ASN HA H 463 4.667 4.667 4.721 -0.054 17858 279 1 1 . 1 1 60 60 ASN CA C 463 53.316 53.316 53.546 -0.230 17858 280 1 1 . 1 1 60 60 ASN CB C 463 39.355 39.355 38.939 0.416 17858 281 1 1 . 1 1 60 60 ASN H H 463 7.819 7.819 8.095 -0.276 17858 282 1 1 . 1 1 61 61 CYS N N 464 121.670 121.670 120.353 1.317 17858 283 1 1 . 1 1 61 61 CYS HA H 464 3.770 3.770 3.945 -0.175 17858 284 1 1 . 1 1 61 61 CYS CA C 464 61.725 61.725 60.096 1.629 17858 285 1 1 . 1 1 61 61 CYS CB C 464 30.891 30.891 26.780 4.111 17858 286 1 1 . 1 1 61 61 CYS H H 464 7.049 7.049 8.161 -1.112 17858 287 1 1 . 1 1 62 62 LYS N N 465 131.072 131.072 126.917 4.155 17858 288 1 1 . 1 1 62 62 LYS HA H 465 4.312 4.312 4.358 -0.046 17858 289 1 1 . 1 1 62 62 LYS CA C 465 55.230 55.230 55.899 -0.669 17858 290 1 1 . 1 1 62 62 LYS CB C 465 32.794 32.794 32.301 0.493 17858 291 1 1 . 1 1 62 62 LYS H H 465 8.836 8.836 8.331 0.505 17858 292 1 1 . 1 1 63 63 ASN N N 466 119.130 119.130 117.408 1.722 17858 293 1 1 . 1 1 63 63 ASN HA H 466 4.596 4.596 4.564 0.032 17858 294 1 1 . 1 1 63 63 ASN CA C 466 52.210 52.210 51.972 0.238 17858 295 1 1 . 1 1 63 63 ASN CB C 466 38.827 38.827 40.157 -1.330 17858 296 1 1 . 1 1 63 63 ASN H H 466 7.660 7.660 7.603 0.057 17858 297 1 1 . 1 1 64 64 ILE N N 467 125.111 125.111 118.557 6.554 17858 298 1 1 . 1 1 64 64 ILE HA H 467 3.539 3.539 4.224 -0.685 17858 299 1 1 . 1 1 64 64 ILE CA C 467 64.493 64.493 60.878 3.615 17858 300 1 1 . 1 1 64 64 ILE CB C 467 38.068 38.068 38.524 -0.456 17858 301 1 1 . 1 1 64 64 ILE H H 467 8.475 8.475 7.785 0.690 17858 302 1 1 . 1 1 65 65 TYR N N 468 118.920 118.920 117.304 1.616 17858 303 1 1 . 1 1 65 65 TYR HA H 468 4.538 4.538 4.797 -0.259 17858 304 1 1 . 1 1 65 65 TYR CA C 468 57.003 57.003 55.138 1.865 17858 305 1 1 . 1 1 65 65 TYR CB C 468 37.716 37.716 36.823 0.893 17858 306 1 1 . 1 1 65 65 TYR H H 468 7.462 7.462 7.078 0.384 17858 307 1 1 . 1 1 66 66 CYS N N 469 122.658 122.658 121.611 1.047 17858 308 1 1 . 1 1 66 66 CYS HA H 469 4.009 4.009 4.586 -0.577 17858 309 1 1 . 1 1 66 66 CYS CA C 469 62.039 62.039 58.221 3.817 17858 310 1 1 . 1 1 66 66 CYS CB C 469 31.455 31.455 28.118 3.337 17858 311 1 1 . 1 1 66 66 CYS H H 469 7.305 7.305 8.262 -0.957 17858 312 1 1 . 1 1 67 67 LEU N N 470 130.238 130.238 126.718 3.520 17858 313 1 1 . 1 1 67 67 LEU HA H 470 4.353 4.353 4.374 -0.021 17858 314 1 1 . 1 1 67 67 LEU CA C 470 55.947 55.947 54.233 1.714 17858 315 1 1 . 1 1 67 67 LEU CB C 470 42.125 42.125 41.460 0.665 17858 316 1 1 . 1 1 67 67 LEU H H 470 9.002 9.002 8.463 0.539 17858 317 1 1 . 1 1 68 68 PHE N N 471 120.946 120.946 117.935 3.011 17858 318 1 1 . 1 1 68 68 PHE HA H 471 4.576 4.576 4.552 0.024 17858 319 1 1 . 1 1 68 68 PHE CA C 471 59.242 59.242 55.654 3.588 17858 320 1 1 . 1 1 68 68 PHE CB C 471 39.865 39.865 40.337 -0.472 17858 321 1 1 . 1 1 68 68 PHE H H 471 8.519 8.519 7.059 1.460 17858 322 1 1 . 1 1 69 69 ARG N N 472 116.975 116.975 121.052 -4.077 17858 323 1 1 . 1 1 69 69 ARG HA H 472 4.331 4.331 4.338 -0.007 17858 324 1 1 . 1 1 69 69 ARG CA C 472 56.933 56.933 54.998 1.935 17858 325 1 1 . 1 1 69 69 ARG CB C 472 31.822 31.822 31.830 -0.008 17858 326 1 1 . 1 1 69 69 ARG H H 472 8.417 8.417 8.554 -0.137 17858 327 1 1 . 1 1 70 70 HIS N N 473 118.809 118.809 123.040 -4.231 17858 328 1 1 . 1 1 70 70 HIS HA H 473 4.991 4.991 4.819 0.172 17858 329 1 1 . 1 1 70 70 HIS CA C 473 55.311 55.311 53.826 1.485 17858 330 1 1 . 1 1 70 70 HIS CB C 473 30.613 30.613 30.484 0.129 17858 331 1 1 . 1 1 70 70 HIS H H 473 8.499 8.499 8.434 0.065 17858 332 1 1 . 1 1 71 71 PRO HA H 474 4.742 4.742 4.553 0.189 17858 333 1 1 . 1 1 71 71 PRO CA C 474 61.250 61.250 62.004 -0.754 17858 334 1 1 . 1 1 71 71 PRO CB C 474 30.743 30.743 31.113 -0.370 17858 335 1 1 . 1 1 72 72 PRO HA H 475 4.279 4.279 4.377 -0.098 17858 336 1 1 . 1 1 72 72 PRO CA C 475 63.941 63.941 63.508 0.433 17858 337 1 1 . 1 1 72 72 PRO CB C 475 32.122 32.122 31.409 0.713 17858 338 1 1 . 1 1 73 73 GLY N N 476 106.525 106.525 111.655 -5.130 17858 339 1 1 . 1 1 73 73 GLY CA C 476 45.142 45.142 44.743 0.399 17858 340 1 1 . 1 1 73 73 GLY H H 476 8.359 8.359 8.796 -0.437 17858 341 1 1 . 1 1 74 74 ARG N N 477 121.516 121.516 120.831 0.685 17858 342 1 1 . 1 1 74 74 ARG HA H 477 4.223 4.223 4.742 -0.519 17858 343 1 1 . 1 1 74 74 ARG CA C 477 57.021 57.021 55.421 1.600 17858 344 1 1 . 1 1 74 74 ARG CB C 477 31.388 31.388 31.576 -0.188 17858 345 1 1 . 1 1 74 74 ARG H H 477 7.255 7.255 7.735 -0.480 17858 346 1 1 . 1 1 75 75 VAL N N 478 128.411 128.411 119.328 9.083 17858 347 1 1 . 1 1 75 75 VAL HA H 478 4.054 4.054 4.424 -0.370 17858 348 1 1 . 1 1 75 75 VAL CA C 478 61.925 61.925 60.583 1.342 17858 349 1 1 . 1 1 75 75 VAL CB C 478 33.788 33.788 33.669 0.119 17858 350 1 1 . 1 1 75 75 VAL H H 478 8.569 8.569 8.314 0.255 17858 351 1 1 . 1 1 76 76 LEU N N 479 127.195 127.195 119.525 7.670 17858 352 1 1 . 1 1 76 76 LEU HA H 479 4.462 4.462 4.644 -0.182 17858 353 1 1 . 1 1 76 76 LEU CA C 479 52.474 52.474 52.036 0.438 17858 354 1 1 . 1 1 76 76 LEU CB C 479 42.068 42.068 44.446 -2.378 17858 355 1 1 . 1 1 76 76 LEU H H 479 8.338 8.338 8.092 0.246 17858 356 1 1 . 1 1 77 77 PRO HA H 480 4.251 4.251 4.415 -0.164 17858 357 1 1 . 1 1 77 77 PRO CA C 480 63.072 63.072 63.016 0.056 17858 358 1 1 . 1 1 77 77 PRO CB C 480 32.313 32.313 31.949 0.364 17858 359 1 1 . 1 1 78 78 GLU N N 481 120.828 120.828 123.357 -2.529 17858 360 1 1 . 1 1 78 78 GLU HA H 481 4.089 4.089 4.514 -0.425 17858 361 1 1 . 1 1 78 78 GLU CA C 481 56.521 56.521 55.850 0.671 17858 362 1 1 . 1 1 78 78 GLU CB C 481 31.032 31.032 32.170 -1.138 17858 363 1 1 . 1 1 78 78 GLU H H 481 8.328 8.328 8.487 -0.159 17858 364 1 1 . 1 1 79 79 LYS N N 482 123.778 123.778 123.169 0.609 17858 365 1 1 . 1 1 79 79 LYS HA H 482 4.166 4.166 4.578 -0.412 17858 366 1 1 . 1 1 79 79 LYS CA C 482 56.581 56.581 56.642 -0.061 17858 367 1 1 . 1 1 79 79 LYS CB C 482 33.279 33.279 33.286 -0.007 17858 368 1 1 . 1 1 79 79 LYS H H 482 8.332 8.332 8.504 -0.172 17858 369 1 2 . 1 1 2 2 PRO HA H 405 4.356 4.356 5.107 -0.751 17858 370 1 2 . 1 1 2 2 PRO CA C 405 63.329 63.329 62.706 0.622 17858 371 1 2 . 1 1 2 2 PRO CB C 405 32.603 32.603 33.641 -1.038 17858 372 1 2 . 1 1 3 3 LEU N N 406 122.497 122.497 119.626 2.871 17858 373 1 2 . 1 1 3 3 LEU HA H 406 4.231 4.231 4.687 -0.456 17858 374 1 2 . 1 1 3 3 LEU CA C 406 55.838 55.838 54.163 1.675 17858 375 1 2 . 1 1 3 3 LEU CB C 406 42.529 42.529 45.360 -2.831 17858 376 1 2 . 1 1 3 3 LEU H H 406 8.571 8.571 8.161 0.410 17858 377 1 2 . 1 1 4 4 GLY N N 407 110.132 110.132 107.203 2.929 17858 378 1 2 . 1 1 4 4 GLY CA C 407 45.746 45.746 44.464 1.282 17858 379 1 2 . 1 1 4 4 GLY H H 407 8.504 8.504 8.128 0.376 17858 380 1 2 . 1 1 5 5 SER N N 408 114.820 114.820 116.156 -1.336 17858 381 1 2 . 1 1 5 5 SER HA H 408 4.321 4.321 4.585 -0.264 17858 382 1 2 . 1 1 5 5 SER CA C 408 58.629 58.629 57.638 0.991 17858 383 1 2 . 1 1 5 5 SER CB C 408 64.171 64.171 63.858 0.313 17858 384 1 2 . 1 1 5 5 SER H H 408 8.087 8.087 8.196 -0.109 17858 385 1 2 . 1 1 6 6 GLU N N 409 122.539 122.539 124.777 -2.238 17858 386 1 2 . 1 1 6 6 GLU HA H 409 4.137 4.137 4.153 -0.016 17858 387 1 2 . 1 1 6 6 GLU CA C 409 57.076 57.076 57.411 -0.335 17858 388 1 2 . 1 1 6 6 GLU CB C 409 30.420 30.420 28.830 1.590 17858 389 1 2 . 1 1 6 6 GLU H H 409 8.483 8.483 8.048 0.435 17858 390 1 2 . 1 1 7 7 LYS N N 410 120.141 120.141 121.376 -1.235 17858 391 1 2 . 1 1 7 7 LYS HA H 410 4.332 4.332 4.460 -0.128 17858 392 1 2 . 1 1 7 7 LYS CA C 410 56.279 56.279 56.142 0.137 17858 393 1 2 . 1 1 7 7 LYS CB C 410 33.875 33.875 32.945 0.930 17858 394 1 2 . 1 1 7 7 LYS H H 410 7.997 7.997 8.360 -0.363 17858 395 1 2 . 1 1 8 8 SER N N 411 114.672 114.672 115.135 -0.463 17858 396 1 2 . 1 1 8 8 SER HA H 411 4.542 4.542 4.705 -0.163 17858 397 1 2 . 1 1 8 8 SER CA C 411 56.092 56.092 56.370 -0.278 17858 398 1 2 . 1 1 8 8 SER CB C 411 65.009 65.009 64.340 0.669 17858 399 1 2 . 1 1 8 8 SER H H 411 8.214 8.214 7.493 0.721 17858 400 1 2 . 1 1 9 9 LEU N N 412 122.535 122.535 122.047 0.488 17858 401 1 2 . 1 1 9 9 LEU HA H 412 3.938 3.938 4.497 -0.558 17858 402 1 2 . 1 1 9 9 LEU CA C 412 55.495 55.495 54.117 1.378 17858 403 1 2 . 1 1 9 9 LEU CB C 412 42.864 42.864 41.567 1.297 17858 404 1 2 . 1 1 9 9 LEU H H 412 8.487 8.487 8.563 -0.076 17858 405 1 2 . 1 1 10 10 GLU N N 413 121.582 121.582 119.484 2.098 17858 406 1 2 . 1 1 10 10 GLU HA H 413 3.804 3.804 4.535 -0.731 17858 407 1 2 . 1 1 10 10 GLU CA C 413 57.749 57.749 55.278 2.471 17858 408 1 2 . 1 1 10 10 GLU CB C 413 29.807 29.807 32.076 -2.269 17858 409 1 2 . 1 1 10 10 GLU H H 413 8.483 8.483 8.134 0.349 17858 410 1 2 . 1 1 11 11 GLN N N 414 124.052 124.052 118.914 5.138 17858 411 1 2 . 1 1 11 11 GLN HA H 414 3.768 3.768 4.771 -1.003 17858 412 1 2 . 1 1 11 11 GLN CA C 414 55.415 55.415 54.593 0.822 17858 413 1 2 . 1 1 11 11 GLN CB C 414 29.918 29.918 31.434 -1.516 17858 414 1 2 . 1 1 11 11 GLN H H 414 8.475 8.475 8.511 -0.036 17858 415 1 2 . 1 1 12 12 CYS N N 415 129.067 129.067 123.977 5.090 17858 416 1 2 . 1 1 12 12 CYS HA H 415 3.668 3.668 4.257 -0.589 17858 417 1 2 . 1 1 12 12 CYS CA C 415 61.173 61.173 60.632 0.541 17858 418 1 2 . 1 1 12 12 CYS CB C 415 30.342 30.342 28.473 1.869 17858 419 1 2 . 1 1 12 12 CYS H H 415 9.290 9.290 8.338 0.952 17858 420 1 2 . 1 1 13 13 LYS N N 416 129.282 129.282 121.792 7.490 17858 421 1 2 . 1 1 13 13 LYS HA H 416 3.814 3.814 4.681 -0.867 17858 422 1 2 . 1 1 13 13 LYS CA C 416 58.772 58.772 56.808 1.964 17858 423 1 2 . 1 1 13 13 LYS CB C 416 32.186 32.186 32.250 -0.064 17858 424 1 2 . 1 1 13 13 LYS H H 416 8.623 8.623 8.896 -0.273 17858 425 1 2 . 1 1 14 14 PHE N N 417 119.338 119.338 118.543 0.795 17858 426 1 2 . 1 1 14 14 PHE HA H 417 4.613 4.613 4.649 -0.036 17858 427 1 2 . 1 1 14 14 PHE CA C 417 58.971 58.971 58.867 0.104 17858 428 1 2 . 1 1 14 14 PHE CB C 417 39.352 39.352 40.527 -1.175 17858 429 1 2 . 1 1 14 14 PHE H H 417 8.603 8.603 7.836 0.767 17858 430 1 2 . 1 1 15 15 GLY N N 418 107.206 107.206 108.177 -0.971 17858 431 1 2 . 1 1 15 15 GLY CA C 418 47.937 47.937 46.440 1.497 17858 432 1 2 . 1 1 15 15 GLY H H 418 7.472 7.472 8.591 -1.119 17858 433 1 2 . 1 1 16 16 THR N N 419 117.234 117.234 117.193 0.041 17858 434 1 2 . 1 1 16 16 THR HA H 419 4.002 4.002 4.393 -0.391 17858 435 1 2 . 1 1 16 16 THR CA C 419 63.842 63.842 62.811 1.031 17858 436 1 2 . 1 1 16 16 THR CB C 419 68.778 68.778 69.163 -0.385 17858 437 1 2 . 1 1 16 16 THR H H 419 8.740 8.740 8.576 0.164 17858 438 1 2 . 1 1 17 17 HIS N N 420 118.028 118.028 121.641 -3.613 17858 439 1 2 . 1 1 17 17 HIS HA H 420 4.581 4.581 4.793 -0.212 17858 440 1 2 . 1 1 17 17 HIS CA C 420 55.612 55.612 55.613 -0.001 17858 441 1 2 . 1 1 17 17 HIS CB C 420 29.751 29.751 30.200 -0.449 17858 442 1 2 . 1 1 17 17 HIS H H 420 8.059 8.059 7.715 0.344 17858 443 1 2 . 1 1 18 18 CYS N N 421 122.824 122.824 120.409 2.415 17858 444 1 2 . 1 1 18 18 CYS HA H 421 3.849 3.849 4.202 -0.353 17858 445 1 2 . 1 1 18 18 CYS CA C 421 61.733 61.733 59.729 2.004 17858 446 1 2 . 1 1 18 18 CYS CB C 421 30.570 30.570 26.554 4.016 17858 447 1 2 . 1 1 18 18 CYS H H 421 7.288 7.288 8.390 -1.102 17858 448 1 2 . 1 1 19 19 THR N N 422 119.018 119.018 122.001 -2.983 17858 449 1 2 . 1 1 19 19 THR HA H 422 4.348 4.348 4.377 -0.029 17858 450 1 2 . 1 1 19 19 THR CA C 422 61.292 61.292 61.054 0.238 17858 451 1 2 . 1 1 19 19 THR CB C 422 69.612 69.612 68.158 1.454 17858 452 1 2 . 1 1 19 19 THR H H 422 8.435 8.435 8.084 0.351 17858 453 1 2 . 1 1 20 20 ASN N N 423 121.923 121.923 120.300 1.623 17858 454 1 2 . 1 1 20 20 ASN HA H 423 4.690 4.690 4.850 -0.160 17858 455 1 2 . 1 1 20 20 ASN CA C 423 52.203 52.203 52.763 -0.560 17858 456 1 2 . 1 1 20 20 ASN CB C 423 38.747 38.747 40.882 -2.135 17858 457 1 2 . 1 1 20 20 ASN H H 423 7.924 7.924 7.906 0.018 17858 458 1 2 . 1 1 21 21 LYS N N 424 127.775 127.775 123.661 4.114 17858 459 1 2 . 1 1 21 21 LYS HA H 424 3.922 3.922 4.141 -0.219 17858 460 1 2 . 1 1 21 21 LYS CA C 424 58.647 58.647 57.761 0.886 17858 461 1 2 . 1 1 21 21 LYS CB C 424 32.289 32.289 32.904 -0.615 17858 462 1 2 . 1 1 21 21 LYS H H 424 9.094 9.094 8.626 0.468 17858 463 1 2 . 1 1 22 22 ARG N N 425 116.206 116.206 117.744 -1.538 17858 464 1 2 . 1 1 22 22 ARG HA H 425 4.270 4.270 4.503 -0.233 17858 465 1 2 . 1 1 22 22 ARG CA C 425 54.832 54.832 54.711 0.121 17858 466 1 2 . 1 1 22 22 ARG CB C 425 29.549 29.549 29.737 -0.188 17858 467 1 2 . 1 1 22 22 ARG H H 425 7.825 7.825 7.795 0.030 17858 468 1 2 . 1 1 23 23 CYS N N 426 123.387 123.387 120.136 3.251 17858 469 1 2 . 1 1 23 23 CYS HA H 426 3.867 3.867 4.389 -0.522 17858 470 1 2 . 1 1 23 23 CYS CA C 426 62.205 62.205 60.592 1.613 17858 471 1 2 . 1 1 23 23 CYS CB C 426 30.940 30.940 28.877 2.063 17858 472 1 2 . 1 1 23 23 CYS H H 426 7.273 7.273 8.268 -0.995 17858 473 1 2 . 1 1 24 24 LYS N N 427 128.443 128.443 127.147 1.296 17858 474 1 2 . 1 1 24 24 LYS HA H 427 4.299 4.299 4.232 0.067 17858 475 1 2 . 1 1 24 24 LYS CA C 427 57.047 57.047 55.555 1.492 17858 476 1 2 . 1 1 24 24 LYS CB C 427 33.275 33.275 31.828 1.447 17858 477 1 2 . 1 1 24 24 LYS H H 427 8.525 8.525 8.512 0.013 17858 478 1 2 . 1 1 25 25 TYR N N 428 123.059 123.059 115.701 7.358 17858 479 1 2 . 1 1 25 25 TYR HA H 428 4.569 4.569 4.551 0.018 17858 480 1 2 . 1 1 25 25 TYR CA C 428 58.470 58.470 56.752 1.718 17858 481 1 2 . 1 1 25 25 TYR CB C 428 39.830 39.830 41.658 -1.828 17858 482 1 2 . 1 1 25 25 TYR H H 428 8.066 8.066 7.448 0.618 17858 483 1 2 . 1 1 26 26 ARG N N 429 116.840 116.840 118.246 -1.406 17858 484 1 2 . 1 1 26 26 ARG HA H 429 4.429 4.429 4.493 -0.064 17858 485 1 2 . 1 1 26 26 ARG CA C 429 58.979 58.979 54.633 4.346 17858 486 1 2 . 1 1 26 26 ARG CB C 429 33.073 33.073 32.029 1.044 17858 487 1 2 . 1 1 26 26 ARG H H 429 8.275 8.275 8.740 -0.465 17858 488 1 2 . 1 1 27 27 HIS N N 430 117.522 117.522 119.632 -2.110 17858 489 1 2 . 1 1 27 27 HIS HA H 430 4.553 4.553 4.856 -0.303 17858 490 1 2 . 1 1 27 27 HIS CA C 430 56.912 56.912 55.060 1.852 17858 491 1 2 . 1 1 27 27 HIS CB C 430 30.715 30.715 33.889 -3.174 17858 492 1 2 . 1 1 27 27 HIS H H 430 8.154 8.154 8.833 -0.679 17858 493 1 2 . 1 1 28 28 ALA N N 431 126.087 126.087 126.310 -0.223 17858 494 1 2 . 1 1 28 28 ALA HA H 431 4.106 4.106 4.539 -0.433 17858 495 1 2 . 1 1 28 28 ALA CA C 431 51.833 51.833 51.792 0.041 17858 496 1 2 . 1 1 28 28 ALA CB C 431 18.291 18.291 19.541 -1.250 17858 497 1 2 . 1 1 28 28 ALA H H 431 8.061 8.061 8.724 -0.663 17858 498 1 2 . 1 1 29 29 ARG N N 432 121.538 121.538 122.635 -1.097 17858 499 1 2 . 1 1 29 29 ARG HA H 432 4.280 4.280 4.562 -0.282 17858 500 1 2 . 1 1 29 29 ARG CA C 432 55.492 55.492 55.880 -0.388 17858 501 1 2 . 1 1 29 29 ARG CB C 432 31.353 31.353 30.410 0.943 17858 502 1 2 . 1 1 29 29 ARG H H 432 8.630 8.630 8.808 -0.178 17858 503 1 2 . 1 1 30 30 SER N N 433 112.439 112.439 114.507 -2.068 17858 504 1 2 . 1 1 30 30 SER HA H 433 4.463 4.463 4.366 0.097 17858 505 1 2 . 1 1 30 30 SER CA C 433 56.566 56.566 57.205 -0.639 17858 506 1 2 . 1 1 30 30 SER CB C 433 64.803 64.803 65.132 -0.329 17858 507 1 2 . 1 1 30 30 SER H H 433 7.450 7.450 7.568 -0.118 17858 508 1 2 . 1 1 31 31 HIS N N 434 121.494 121.494 116.397 5.097 17858 509 1 2 . 1 1 31 31 HIS HA H 434 4.279 4.279 4.621 -0.342 17858 510 1 2 . 1 1 31 31 HIS CA C 434 56.955 56.955 55.011 1.944 17858 511 1 2 . 1 1 31 31 HIS CB C 434 29.834 29.834 28.948 0.886 17858 512 1 2 . 1 1 31 31 HIS H H 434 8.132 8.132 7.815 0.317 17858 513 1 2 . 1 1 32 32 ILE N N 435 123.851 123.851 122.570 1.281 17858 514 1 2 . 1 1 32 32 ILE HA H 435 3.506 3.506 4.027 -0.521 17858 515 1 2 . 1 1 32 32 ILE CA C 435 61.345 61.345 58.798 2.547 17858 516 1 2 . 1 1 32 32 ILE CB C 435 37.765 37.765 36.132 1.633 17858 517 1 2 . 1 1 32 32 ILE H H 435 7.858 7.858 7.854 0.004 17858 518 1 2 . 1 1 33 33 MET N N 436 125.294 125.294 124.532 0.762 17858 519 1 2 . 1 1 33 33 MET HA H 436 4.050 4.050 4.728 -0.678 17858 520 1 2 . 1 1 33 33 MET CA C 436 54.733 54.733 56.026 -1.293 17858 521 1 2 . 1 1 33 33 MET CB C 436 31.934 31.934 33.877 -1.943 17858 522 1 2 . 1 1 33 33 MET H H 436 8.317 8.317 8.435 -0.118 17858 523 1 2 . 1 1 34 34 CYS N N 437 127.958 127.958 119.333 8.625 17858 524 1 2 . 1 1 34 34 CYS HA H 437 3.389 3.389 5.102 -1.713 17858 525 1 2 . 1 1 34 34 CYS CA C 437 61.544 61.544 58.483 3.061 17858 526 1 2 . 1 1 34 34 CYS CB C 437 31.325 31.325 29.312 2.013 17858 527 1 2 . 1 1 34 34 CYS H H 437 9.255 9.255 8.433 0.822 17858 528 1 2 . 1 1 35 35 ARG N N 438 131.582 131.582 126.666 4.916 17858 529 1 2 . 1 1 35 35 ARG HA H 438 3.887 3.887 4.179 -0.292 17858 530 1 2 . 1 1 35 35 ARG CA C 438 59.466 59.466 58.819 0.647 17858 531 1 2 . 1 1 35 35 ARG CB C 438 30.251 30.251 30.131 0.120 17858 532 1 2 . 1 1 35 35 ARG H H 438 8.645 8.645 9.171 -0.526 17858 533 1 2 . 1 1 36 36 GLU N N 439 117.530 117.530 118.573 -1.043 17858 534 1 2 . 1 1 36 36 GLU HA H 439 4.284 4.284 4.292 -0.008 17858 535 1 2 . 1 1 36 36 GLU CA C 439 57.440 57.440 56.067 1.373 17858 536 1 2 . 1 1 36 36 GLU CB C 439 30.295 30.295 29.749 0.546 17858 537 1 2 . 1 1 36 36 GLU H H 439 8.302 8.302 8.274 0.028 17858 538 1 2 . 1 1 37 37 GLY N N 440 107.589 107.589 108.705 -1.116 17858 539 1 2 . 1 1 37 37 GLY CA C 440 47.353 47.353 45.774 1.579 17858 540 1 2 . 1 1 37 37 GLY H H 440 7.518 7.518 8.169 -0.651 17858 541 1 2 . 1 1 38 38 ALA N N 441 126.673 126.673 126.090 0.583 17858 542 1 2 . 1 1 38 38 ALA HA H 441 4.180 4.180 4.273 -0.093 17858 543 1 2 . 1 1 38 38 ALA CA C 441 53.717 53.717 52.886 0.831 17858 544 1 2 . 1 1 38 38 ALA CB C 441 19.127 19.127 18.545 0.582 17858 545 1 2 . 1 1 38 38 ALA H H 441 9.114 9.114 8.536 0.578 17858 546 1 2 . 1 1 39 39 ASN N N 442 113.951 113.951 115.801 -1.850 17858 547 1 2 . 1 1 39 39 ASN HA H 442 4.655 4.655 4.826 -0.171 17858 548 1 2 . 1 1 39 39 ASN CA C 442 52.940 52.940 52.967 -0.027 17858 549 1 2 . 1 1 39 39 ASN CB C 442 39.264 39.264 39.348 -0.084 17858 550 1 2 . 1 1 39 39 ASN H H 442 8.072 8.072 7.742 0.330 17858 551 1 2 . 1 1 40 40 CYS N N 443 122.245 122.245 119.722 2.523 17858 552 1 2 . 1 1 40 40 CYS HA H 443 4.070 4.070 4.317 -0.247 17858 553 1 2 . 1 1 40 40 CYS CA C 443 60.661 60.661 60.344 0.317 17858 554 1 2 . 1 1 40 40 CYS CB C 443 31.037 31.037 28.001 3.036 17858 555 1 2 . 1 1 40 40 CYS H H 443 7.237 7.237 7.463 -0.226 17858 556 1 2 . 1 1 41 41 THR N N 444 120.684 120.684 115.631 5.053 17858 557 1 2 . 1 1 41 41 THR HA H 444 4.411 4.411 4.387 0.024 17858 558 1 2 . 1 1 41 41 THR CA C 444 61.110 61.110 61.713 -0.603 17858 559 1 2 . 1 1 41 41 THR CB C 444 68.937 68.937 68.880 0.057 17858 560 1 2 . 1 1 41 41 THR H H 444 9.033 9.033 8.568 0.465 17858 561 1 2 . 1 1 42 42 ARG N N 445 123.977 123.977 121.073 2.904 17858 562 1 2 . 1 1 42 42 ARG HA H 445 4.329 4.329 4.490 -0.162 17858 563 1 2 . 1 1 42 42 ARG CA C 445 56.416 56.416 55.115 1.301 17858 564 1 2 . 1 1 42 42 ARG CB C 445 30.604 30.604 32.994 -2.390 17858 565 1 2 . 1 1 42 42 ARG H H 445 7.927 7.927 7.509 0.418 17858 566 1 2 . 1 1 43 43 ILE N N 446 132.203 132.203 123.080 9.123 17858 567 1 2 . 1 1 43 43 ILE HA H 446 3.609 3.609 4.307 -0.698 17858 568 1 2 . 1 1 43 43 ILE CA C 446 63.023 63.023 61.729 1.294 17858 569 1 2 . 1 1 43 43 ILE CB C 446 38.463 38.463 38.751 -0.288 17858 570 1 2 . 1 1 43 43 ILE H H 446 9.010 9.010 8.633 0.377 17858 571 1 2 . 1 1 44 44 ASP N N 447 116.309 116.309 118.834 -2.525 17858 572 1 2 . 1 1 44 44 ASP HA H 447 4.555 4.555 4.711 -0.156 17858 573 1 2 . 1 1 44 44 ASP CA C 447 52.727 52.727 54.154 -1.427 17858 574 1 2 . 1 1 44 44 ASP CB C 447 40.177 40.177 40.591 -0.414 17858 575 1 2 . 1 1 44 44 ASP H H 447 8.191 8.191 7.992 0.199 17858 576 1 2 . 1 1 45 45 CYS N N 448 121.173 121.173 119.557 1.616 17858 577 1 2 . 1 1 45 45 CYS HA H 448 3.913 3.913 4.479 -0.566 17858 578 1 2 . 1 1 45 45 CYS CA C 448 62.082 62.082 58.849 3.233 17858 579 1 2 . 1 1 45 45 CYS CB C 448 31.510 31.510 27.003 4.507 17858 580 1 2 . 1 1 45 45 CYS H H 448 7.113 7.113 8.036 -0.923 17858 581 1 2 . 1 1 46 46 LEU N N 449 128.150 128.150 127.864 0.286 17858 582 1 2 . 1 1 46 46 LEU HA H 449 4.657 4.657 4.724 -0.067 17858 583 1 2 . 1 1 46 46 LEU CA C 449 55.144 55.144 53.952 1.192 17858 584 1 2 . 1 1 46 46 LEU CB C 449 43.004 43.004 41.264 1.740 17858 585 1 2 . 1 1 46 46 LEU H H 449 8.451 8.451 8.485 -0.034 17858 586 1 2 . 1 1 47 47 PHE N N 450 120.646 120.646 119.745 0.901 17858 587 1 2 . 1 1 47 47 PHE HA H 450 4.527 4.527 4.817 -0.290 17858 588 1 2 . 1 1 47 47 PHE CA C 450 58.198 58.198 54.741 3.457 17858 589 1 2 . 1 1 47 47 PHE CB C 450 39.901 39.901 41.221 -1.320 17858 590 1 2 . 1 1 47 47 PHE H H 450 8.390 8.390 7.210 1.180 17858 591 1 2 . 1 1 48 48 GLY N N 451 104.118 104.118 109.170 -5.052 17858 592 1 2 . 1 1 48 48 GLY CA C 451 47.675 47.675 44.898 2.776 17858 593 1 2 . 1 1 48 48 GLY H H 451 8.643 8.643 8.425 0.218 17858 594 1 2 . 1 1 49 49 HIS N N 452 119.710 119.710 124.769 -5.059 17858 595 1 2 . 1 1 49 49 HIS HA H 452 4.725 4.725 4.758 -0.033 17858 596 1 2 . 1 1 49 49 HIS CA C 452 54.408 54.408 52.572 1.836 17858 597 1 2 . 1 1 49 49 HIS CB C 452 29.515 29.515 31.509 -1.994 17858 598 1 2 . 1 1 49 49 HIS H H 452 6.951 6.951 8.003 -1.052 17858 599 1 2 . 1 1 50 50 PRO HA H 453 4.291 4.291 4.382 -0.091 17858 600 1 2 . 1 1 50 50 PRO CA C 453 63.872 63.872 63.060 0.812 17858 601 1 2 . 1 1 50 50 PRO CB C 453 32.724 32.724 32.692 0.032 17858 602 1 2 . 1 1 51 51 ILE N N 454 122.942 122.942 118.908 4.034 17858 603 1 2 . 1 1 51 51 ILE HA H 454 3.787 3.787 4.253 -0.466 17858 604 1 2 . 1 1 51 51 ILE CA C 454 61.010 61.010 60.169 0.841 17858 605 1 2 . 1 1 51 51 ILE CB C 454 40.204 40.204 42.984 -2.780 17858 606 1 2 . 1 1 51 51 ILE H H 454 8.189 8.189 7.860 0.329 17858 607 1 2 . 1 1 52 52 ASN N N 455 128.496 128.496 124.909 3.587 17858 608 1 2 . 1 1 52 52 ASN HA H 455 4.641 4.641 4.703 -0.062 17858 609 1 2 . 1 1 52 52 ASN CA C 455 52.832 52.832 53.689 -0.857 17858 610 1 2 . 1 1 52 52 ASN CB C 455 36.969 36.969 38.312 -1.343 17858 611 1 2 . 1 1 52 52 ASN H H 455 8.791 8.791 8.685 0.106 17858 612 1 2 . 1 1 53 53 GLU N N 456 120.059 120.059 122.433 -2.374 17858 613 1 2 . 1 1 53 53 GLU HA H 456 4.318 4.318 4.566 -0.248 17858 614 1 2 . 1 1 53 53 GLU CA C 456 55.588 55.588 55.244 0.344 17858 615 1 2 . 1 1 53 53 GLU CB C 456 33.826 33.826 34.223 -0.397 17858 616 1 2 . 1 1 53 53 GLU H H 456 8.177 8.177 8.025 0.152 17858 617 1 2 . 1 1 54 54 ASP N N 457 124.404 124.404 122.642 1.762 17858 618 1 2 . 1 1 54 54 ASP HA H 457 4.446 4.446 5.199 -0.753 17858 619 1 2 . 1 1 54 54 ASP CA C 457 55.594 55.594 53.411 2.183 17858 620 1 2 . 1 1 54 54 ASP CB C 457 41.033 41.033 41.429 -0.396 17858 621 1 2 . 1 1 54 54 ASP H H 457 8.923 8.923 8.425 0.498 17858 622 1 2 . 1 1 55 55 CYS N N 458 125.765 125.765 123.683 2.082 17858 623 1 2 . 1 1 55 55 CYS HA H 458 3.360 3.360 4.206 -0.846 17858 624 1 2 . 1 1 55 55 CYS CA C 458 61.284 61.284 59.698 1.586 17858 625 1 2 . 1 1 55 55 CYS CB C 458 31.125 31.125 28.859 2.266 17858 626 1 2 . 1 1 55 55 CYS H H 458 9.113 9.113 7.936 1.177 17858 627 1 2 . 1 1 56 56 ARG N N 459 130.790 130.790 123.166 7.624 17858 628 1 2 . 1 1 56 56 ARG HA H 459 3.875 3.875 4.152 -0.277 17858 629 1 2 . 1 1 56 56 ARG CA C 459 58.610 58.610 57.816 0.794 17858 630 1 2 . 1 1 56 56 ARG CB C 459 29.566 29.566 29.749 -0.183 17858 631 1 2 . 1 1 56 56 ARG H H 459 8.601 8.601 8.598 0.003 17858 632 1 2 . 1 1 57 57 PHE N N 460 119.175 119.175 118.946 0.229 17858 633 1 2 . 1 1 57 57 PHE HA H 460 4.560 4.560 4.428 0.132 17858 634 1 2 . 1 1 57 57 PHE CA C 460 58.367 58.367 58.690 -0.323 17858 635 1 2 . 1 1 57 57 PHE CB C 460 39.049 39.049 40.059 -1.010 17858 636 1 2 . 1 1 57 57 PHE H H 460 8.589 8.589 7.693 0.896 17858 637 1 2 . 1 1 58 58 GLY N N 461 107.317 107.317 106.355 0.962 17858 638 1 2 . 1 1 58 58 GLY CA C 461 47.253 47.253 45.215 2.038 17858 639 1 2 . 1 1 58 58 GLY H H 461 7.386 7.386 8.541 -1.155 17858 640 1 2 . 1 1 59 59 VAL N N 462 120.829 120.829 118.095 2.734 17858 641 1 2 . 1 1 59 59 VAL HA H 462 3.674 3.674 4.325 -0.651 17858 642 1 2 . 1 1 59 59 VAL CA C 462 64.142 64.142 62.626 1.516 17858 643 1 2 . 1 1 59 59 VAL CB C 462 32.275 32.275 31.985 0.290 17858 644 1 2 . 1 1 59 59 VAL H H 462 8.881 8.881 8.306 0.575 17858 645 1 2 . 1 1 60 60 ASN N N 463 114.923 114.923 117.948 -3.025 17858 646 1 2 . 1 1 60 60 ASN HA H 463 4.667 4.667 4.669 -0.002 17858 647 1 2 . 1 1 60 60 ASN CA C 463 53.316 53.316 53.713 -0.397 17858 648 1 2 . 1 1 60 60 ASN CB C 463 39.355 39.355 38.660 0.695 17858 649 1 2 . 1 1 60 60 ASN H H 463 7.819 7.819 8.305 -0.486 17858 650 1 2 . 1 1 61 61 CYS N N 464 121.670 121.670 120.928 0.742 17858 651 1 2 . 1 1 61 61 CYS HA H 464 3.770 3.770 3.932 -0.162 17858 652 1 2 . 1 1 61 61 CYS CA C 464 61.725 61.725 60.219 1.506 17858 653 1 2 . 1 1 61 61 CYS CB C 464 30.891 30.891 26.825 4.066 17858 654 1 2 . 1 1 61 61 CYS H H 464 7.049 7.049 8.124 -1.075 17858 655 1 2 . 1 1 62 62 LYS N N 465 131.072 131.072 126.090 4.982 17858 656 1 2 . 1 1 62 62 LYS HA H 465 4.312 4.312 4.430 -0.118 17858 657 1 2 . 1 1 62 62 LYS CA C 465 55.230 55.230 55.642 -0.412 17858 658 1 2 . 1 1 62 62 LYS CB C 465 32.794 32.794 32.215 0.579 17858 659 1 2 . 1 1 62 62 LYS H H 465 8.836 8.836 8.312 0.524 17858 660 1 2 . 1 1 63 63 ASN N N 466 119.130 119.130 117.175 1.955 17858 661 1 2 . 1 1 63 63 ASN HA H 466 4.596 4.596 4.563 0.033 17858 662 1 2 . 1 1 63 63 ASN CA C 466 52.210 52.210 51.852 0.358 17858 663 1 2 . 1 1 63 63 ASN CB C 466 38.827 38.827 40.064 -1.237 17858 664 1 2 . 1 1 63 63 ASN H H 466 7.660 7.660 7.643 0.017 17858 665 1 2 . 1 1 64 64 ILE N N 467 125.111 125.111 117.542 7.569 17858 666 1 2 . 1 1 64 64 ILE HA H 467 3.539 3.539 4.253 -0.714 17858 667 1 2 . 1 1 64 64 ILE CA C 467 64.493 64.493 60.125 4.368 17858 668 1 2 . 1 1 64 64 ILE CB C 467 38.068 38.068 37.536 0.532 17858 669 1 2 . 1 1 64 64 ILE H H 467 8.475 8.475 7.643 0.832 17858 670 1 2 . 1 1 65 65 TYR N N 468 118.920 118.920 115.259 3.661 17858 671 1 2 . 1 1 65 65 TYR HA H 468 4.538 4.538 4.761 -0.223 17858 672 1 2 . 1 1 65 65 TYR CA C 468 57.003 57.003 54.364 2.639 17858 673 1 2 . 1 1 65 65 TYR CB C 468 37.716 37.716 37.327 0.389 17858 674 1 2 . 1 1 65 65 TYR H H 468 7.462 7.462 7.047 0.415 17858 675 1 2 . 1 1 66 66 CYS N N 469 122.658 122.658 121.320 1.338 17858 676 1 2 . 1 1 66 66 CYS HA H 469 4.009 4.009 4.589 -0.580 17858 677 1 2 . 1 1 66 66 CYS CA C 469 62.039 62.039 58.270 3.769 17858 678 1 2 . 1 1 66 66 CYS CB C 469 31.455 31.455 27.771 3.684 17858 679 1 2 . 1 1 66 66 CYS H H 469 7.305 7.305 8.288 -0.983 17858 680 1 2 . 1 1 67 67 LEU N N 470 130.238 130.238 127.726 2.512 17858 681 1 2 . 1 1 67 67 LEU HA H 470 4.353 4.353 4.474 -0.121 17858 682 1 2 . 1 1 67 67 LEU CA C 470 55.947 55.947 54.220 1.727 17858 683 1 2 . 1 1 67 67 LEU CB C 470 42.125 42.125 41.353 0.772 17858 684 1 2 . 1 1 67 67 LEU H H 470 9.002 9.002 8.406 0.596 17858 685 1 2 . 1 1 68 68 PHE N N 471 120.946 120.946 117.680 3.266 17858 686 1 2 . 1 1 68 68 PHE HA H 471 4.576 4.576 4.579 -0.003 17858 687 1 2 . 1 1 68 68 PHE CA C 471 59.242 59.242 55.708 3.534 17858 688 1 2 . 1 1 68 68 PHE CB C 471 39.865 39.865 40.543 -0.678 17858 689 1 2 . 1 1 68 68 PHE H H 471 8.519 8.519 7.038 1.481 17858 690 1 2 . 1 1 69 69 ARG N N 472 116.975 116.975 120.553 -3.578 17858 691 1 2 . 1 1 69 69 ARG HA H 472 4.331 4.331 4.370 -0.039 17858 692 1 2 . 1 1 69 69 ARG CA C 472 56.933 56.933 54.622 2.311 17858 693 1 2 . 1 1 69 69 ARG CB C 472 31.822 31.822 31.356 0.466 17858 694 1 2 . 1 1 69 69 ARG H H 472 8.417 8.417 8.851 -0.434 17858 695 1 2 . 1 1 70 70 HIS N N 473 118.809 118.809 123.855 -5.046 17858 696 1 2 . 1 1 70 70 HIS HA H 473 4.991 4.991 4.836 0.155 17858 697 1 2 . 1 1 70 70 HIS CA C 473 55.311 55.311 54.005 1.306 17858 698 1 2 . 1 1 70 70 HIS CB C 473 30.613 30.613 30.309 0.304 17858 699 1 2 . 1 1 70 70 HIS H H 473 8.499 8.499 8.417 0.082 17858 700 1 2 . 1 1 71 71 PRO HA H 474 4.742 4.742 4.606 0.136 17858 701 1 2 . 1 1 71 71 PRO CA C 474 61.250 61.250 62.014 -0.764 17858 702 1 2 . 1 1 71 71 PRO CB C 474 30.743 30.743 31.192 -0.449 17858 703 1 2 . 1 1 72 72 PRO HA H 475 4.279 4.279 4.403 -0.124 17858 704 1 2 . 1 1 72 72 PRO CA C 475 63.941 63.941 63.368 0.573 17858 705 1 2 . 1 1 72 72 PRO CB C 475 32.122 32.122 31.401 0.721 17858 706 1 2 . 1 1 73 73 GLY N N 476 106.525 106.525 112.297 -5.772 17858 707 1 2 . 1 1 73 73 GLY CA C 476 45.142 45.142 44.850 0.291 17858 708 1 2 . 1 1 73 73 GLY H H 476 8.359 8.359 8.805 -0.446 17858 709 1 2 . 1 1 74 74 ARG N N 477 121.516 121.516 120.244 1.272 17858 710 1 2 . 1 1 74 74 ARG HA H 477 4.223 4.223 4.416 -0.193 17858 711 1 2 . 1 1 74 74 ARG CA C 477 57.021 57.021 55.758 1.263 17858 712 1 2 . 1 1 74 74 ARG CB C 477 31.388 31.388 31.623 -0.235 17858 713 1 2 . 1 1 74 74 ARG H H 477 7.255 7.255 7.826 -0.571 17858 714 1 2 . 1 1 75 75 VAL N N 478 128.411 128.411 114.124 14.287 17858 715 1 2 . 1 1 75 75 VAL HA H 478 4.054 4.054 4.455 -0.401 17858 716 1 2 . 1 1 75 75 VAL CA C 478 61.925 61.925 61.874 0.051 17858 717 1 2 . 1 1 75 75 VAL CB C 478 33.788 33.788 33.319 0.469 17858 718 1 2 . 1 1 75 75 VAL H H 478 8.569 8.569 8.094 0.475 17858 719 1 2 . 1 1 76 76 LEU N N 479 127.195 127.195 119.807 7.388 17858 720 1 2 . 1 1 76 76 LEU HA H 479 4.462 4.462 4.788 -0.326 17858 721 1 2 . 1 1 76 76 LEU CA C 479 52.474 52.474 52.532 -0.058 17858 722 1 2 . 1 1 76 76 LEU CB C 479 42.068 42.068 45.216 -3.148 17858 723 1 2 . 1 1 76 76 LEU H H 479 8.338 8.338 8.433 -0.095 17858 724 1 2 . 1 1 77 77 PRO HA H 480 4.251 4.251 4.383 -0.132 17858 725 1 2 . 1 1 77 77 PRO CA C 480 63.072 63.072 62.904 0.168 17858 726 1 2 . 1 1 77 77 PRO CB C 480 32.313 32.313 31.875 0.438 17858 727 1 2 . 1 1 78 78 GLU N N 481 120.828 120.828 123.328 -2.500 17858 728 1 2 . 1 1 78 78 GLU HA H 481 4.089 4.089 4.477 -0.388 17858 729 1 2 . 1 1 78 78 GLU CA C 481 56.521 56.521 56.203 0.318 17858 730 1 2 . 1 1 78 78 GLU CB C 481 31.032 31.032 31.709 -0.677 17858 731 1 2 . 1 1 78 78 GLU H H 481 8.328 8.328 8.562 -0.234 17858 732 1 2 . 1 1 79 79 LYS N N 482 123.778 123.778 123.328 0.450 17858 733 1 2 . 1 1 79 79 LYS HA H 482 4.166 4.166 4.563 -0.397 17858 734 1 2 . 1 1 79 79 LYS CA C 482 56.581 56.581 56.345 0.236 17858 735 1 2 . 1 1 79 79 LYS CB C 482 33.279 33.279 32.945 0.334 17858 736 1 2 . 1 1 79 79 LYS H H 482 8.332 8.332 8.486 -0.154 17858 737 1 3 . 1 1 2 2 PRO HA H 405 4.356 4.356 4.573 -0.217 17858 738 1 3 . 1 1 2 2 PRO CA C 405 63.329 63.329 62.851 0.478 17858 739 1 3 . 1 1 2 2 PRO CB C 405 32.603 32.603 31.735 0.868 17858 740 1 3 . 1 1 3 3 LEU N N 406 122.497 122.497 125.349 -2.852 17858 741 1 3 . 1 1 3 3 LEU HA H 406 4.231 4.231 4.547 -0.316 17858 742 1 3 . 1 1 3 3 LEU CA C 406 55.838 55.838 55.019 0.819 17858 743 1 3 . 1 1 3 3 LEU CB C 406 42.529 42.529 43.818 -1.289 17858 744 1 3 . 1 1 3 3 LEU H H 406 8.571 8.571 8.188 0.383 17858 745 1 3 . 1 1 4 4 GLY N N 407 110.132 110.132 110.631 -0.499 17858 746 1 3 . 1 1 4 4 GLY CA C 407 45.746 45.746 44.527 1.219 17858 747 1 3 . 1 1 4 4 GLY H H 407 8.504 8.504 8.220 0.284 17858 748 1 3 . 1 1 5 5 SER N N 408 114.820 114.820 117.651 -2.831 17858 749 1 3 . 1 1 5 5 SER HA H 408 4.321 4.321 4.665 -0.344 17858 750 1 3 . 1 1 5 5 SER CA C 408 58.629 58.629 57.768 0.861 17858 751 1 3 . 1 1 5 5 SER CB C 408 64.171 64.171 63.563 0.608 17858 752 1 3 . 1 1 5 5 SER H H 408 8.087 8.087 8.412 -0.325 17858 753 1 3 . 1 1 6 6 GLU N N 409 122.539 122.539 116.861 5.678 17858 754 1 3 . 1 1 6 6 GLU HA H 409 4.137 4.137 4.600 -0.463 17858 755 1 3 . 1 1 6 6 GLU CA C 409 57.076 57.076 56.663 0.413 17858 756 1 3 . 1 1 6 6 GLU CB C 409 30.420 30.420 30.155 0.265 17858 757 1 3 . 1 1 6 6 GLU H H 409 8.483 8.483 7.745 0.738 17858 758 1 3 . 1 1 7 7 LYS N N 410 120.141 120.141 123.106 -2.965 17858 759 1 3 . 1 1 7 7 LYS HA H 410 4.332 4.332 4.434 -0.102 17858 760 1 3 . 1 1 7 7 LYS CA C 410 56.279 56.279 56.231 0.048 17858 761 1 3 . 1 1 7 7 LYS CB C 410 33.875 33.875 33.035 0.840 17858 762 1 3 . 1 1 7 7 LYS H H 410 7.997 7.997 8.278 -0.281 17858 763 1 3 . 1 1 8 8 SER N N 411 114.672 114.672 115.522 -0.850 17858 764 1 3 . 1 1 8 8 SER HA H 411 4.542 4.542 4.513 0.029 17858 765 1 3 . 1 1 8 8 SER CA C 411 56.092 56.092 56.563 -0.471 17858 766 1 3 . 1 1 8 8 SER CB C 411 65.009 65.009 64.156 0.853 17858 767 1 3 . 1 1 8 8 SER H H 411 8.214 8.214 7.737 0.477 17858 768 1 3 . 1 1 9 9 LEU N N 412 122.535 122.535 126.932 -4.397 17858 769 1 3 . 1 1 9 9 LEU HA H 412 3.938 3.938 4.114 -0.176 17858 770 1 3 . 1 1 9 9 LEU CA C 412 55.495 55.495 56.057 -0.562 17858 771 1 3 . 1 1 9 9 LEU CB C 412 42.864 42.864 42.498 0.366 17858 772 1 3 . 1 1 9 9 LEU H H 412 8.487 8.487 8.822 -0.335 17858 773 1 3 . 1 1 10 10 GLU N N 413 121.582 121.582 117.163 4.419 17858 774 1 3 . 1 1 10 10 GLU HA H 413 3.804 3.804 4.108 -0.304 17858 775 1 3 . 1 1 10 10 GLU CA C 413 57.749 57.749 58.156 -0.407 17858 776 1 3 . 1 1 10 10 GLU CB C 413 29.807 29.807 30.209 -0.402 17858 777 1 3 . 1 1 10 10 GLU H H 413 8.483 8.483 8.149 0.334 17858 778 1 3 . 1 1 11 11 GLN N N 414 124.052 124.052 119.172 4.880 17858 779 1 3 . 1 1 11 11 GLN HA H 414 3.768 3.768 4.613 -0.845 17858 780 1 3 . 1 1 11 11 GLN CA C 414 55.415 55.415 54.651 0.764 17858 781 1 3 . 1 1 11 11 GLN CB C 414 29.918 29.918 30.733 -0.815 17858 782 1 3 . 1 1 11 11 GLN H H 414 8.475 8.475 8.528 -0.053 17858 783 1 3 . 1 1 12 12 CYS N N 415 129.067 129.067 125.460 3.607 17858 784 1 3 . 1 1 12 12 CYS HA H 415 3.668 3.668 4.217 -0.549 17858 785 1 3 . 1 1 12 12 CYS CA C 415 61.173 61.173 60.816 0.358 17858 786 1 3 . 1 1 12 12 CYS CB C 415 30.342 30.342 28.652 1.690 17858 787 1 3 . 1 1 12 12 CYS H H 415 9.290 9.290 8.469 0.821 17858 788 1 3 . 1 1 13 13 LYS N N 416 129.282 129.282 122.476 6.806 17858 789 1 3 . 1 1 13 13 LYS HA H 416 3.814 3.814 4.701 -0.887 17858 790 1 3 . 1 1 13 13 LYS CA C 416 58.772 58.772 56.716 2.056 17858 791 1 3 . 1 1 13 13 LYS CB C 416 32.186 32.186 32.202 -0.016 17858 792 1 3 . 1 1 13 13 LYS H H 416 8.623 8.623 8.910 -0.287 17858 793 1 3 . 1 1 14 14 PHE N N 417 119.338 119.338 118.683 0.655 17858 794 1 3 . 1 1 14 14 PHE HA H 417 4.613 4.613 4.663 -0.050 17858 795 1 3 . 1 1 14 14 PHE CA C 417 58.971 58.971 58.106 0.865 17858 796 1 3 . 1 1 14 14 PHE CB C 417 39.352 39.352 40.126 -0.774 17858 797 1 3 . 1 1 14 14 PHE H H 417 8.603 8.603 7.763 0.840 17858 798 1 3 . 1 1 15 15 GLY N N 418 107.206 107.206 109.097 -1.891 17858 799 1 3 . 1 1 15 15 GLY CA C 418 47.937 47.937 46.143 1.794 17858 800 1 3 . 1 1 15 15 GLY H H 418 7.472 7.472 8.358 -0.886 17858 801 1 3 . 1 1 16 16 THR N N 419 117.234 117.234 115.607 1.627 17858 802 1 3 . 1 1 16 16 THR HA H 419 4.002 4.002 4.489 -0.487 17858 803 1 3 . 1 1 16 16 THR CA C 419 63.842 63.842 61.950 1.892 17858 804 1 3 . 1 1 16 16 THR CB C 419 68.778 68.778 68.171 0.607 17858 805 1 3 . 1 1 16 16 THR H H 419 8.740 8.740 8.454 0.286 17858 806 1 3 . 1 1 17 17 HIS N N 420 118.028 118.028 120.843 -2.815 17858 807 1 3 . 1 1 17 17 HIS HA H 420 4.581 4.581 4.583 -0.002 17858 808 1 3 . 1 1 17 17 HIS CA C 420 55.612 55.612 56.383 -0.771 17858 809 1 3 . 1 1 17 17 HIS CB C 420 29.751 29.751 30.962 -1.211 17858 810 1 3 . 1 1 17 17 HIS H H 420 8.059 8.059 8.012 0.047 17858 811 1 3 . 1 1 18 18 CYS N N 421 122.824 122.824 120.638 2.186 17858 812 1 3 . 1 1 18 18 CYS HA H 421 3.849 3.849 4.558 -0.709 17858 813 1 3 . 1 1 18 18 CYS CA C 421 61.733 61.733 58.871 2.862 17858 814 1 3 . 1 1 18 18 CYS CB C 421 30.570 30.570 26.535 4.035 17858 815 1 3 . 1 1 18 18 CYS H H 421 7.288 7.288 8.609 -1.321 17858 816 1 3 . 1 1 19 19 THR N N 422 119.018 119.018 121.848 -2.830 17858 817 1 3 . 1 1 19 19 THR HA H 422 4.348 4.348 4.469 -0.121 17858 818 1 3 . 1 1 19 19 THR CA C 422 61.292 61.292 61.244 0.048 17858 819 1 3 . 1 1 19 19 THR CB C 422 69.612 69.612 68.534 1.078 17858 820 1 3 . 1 1 19 19 THR H H 422 8.435 8.435 8.266 0.169 17858 821 1 3 . 1 1 20 20 ASN N N 423 121.923 121.923 119.916 2.007 17858 822 1 3 . 1 1 20 20 ASN HA H 423 4.690 4.690 4.850 -0.160 17858 823 1 3 . 1 1 20 20 ASN CA C 423 52.203 52.203 52.400 -0.197 17858 824 1 3 . 1 1 20 20 ASN CB C 423 38.747 38.747 40.618 -1.871 17858 825 1 3 . 1 1 20 20 ASN H H 423 7.924 7.924 7.995 -0.071 17858 826 1 3 . 1 1 21 21 LYS N N 424 127.775 127.775 122.715 5.060 17858 827 1 3 . 1 1 21 21 LYS HA H 424 3.922 3.922 4.113 -0.191 17858 828 1 3 . 1 1 21 21 LYS CA C 424 58.647 58.647 57.917 0.730 17858 829 1 3 . 1 1 21 21 LYS CB C 424 32.289 32.289 32.892 -0.603 17858 830 1 3 . 1 1 21 21 LYS H H 424 9.094 9.094 8.621 0.473 17858 831 1 3 . 1 1 22 22 ARG N N 425 116.206 116.206 115.387 0.819 17858 832 1 3 . 1 1 22 22 ARG HA H 425 4.270 4.270 4.521 -0.251 17858 833 1 3 . 1 1 22 22 ARG CA C 425 54.832 54.832 54.493 0.339 17858 834 1 3 . 1 1 22 22 ARG CB C 425 29.549 29.549 28.889 0.660 17858 835 1 3 . 1 1 22 22 ARG H H 425 7.825 7.825 7.613 0.212 17858 836 1 3 . 1 1 23 23 CYS N N 426 123.387 123.387 121.472 1.915 17858 837 1 3 . 1 1 23 23 CYS HA H 426 3.867 3.867 4.452 -0.585 17858 838 1 3 . 1 1 23 23 CYS CA C 426 62.205 62.205 60.665 1.540 17858 839 1 3 . 1 1 23 23 CYS CB C 426 30.940 30.940 28.944 1.996 17858 840 1 3 . 1 1 23 23 CYS H H 426 7.273 7.273 8.250 -0.977 17858 841 1 3 . 1 1 24 24 LYS N N 427 128.443 128.443 128.603 -0.160 17858 842 1 3 . 1 1 24 24 LYS HA H 427 4.299 4.299 4.200 0.099 17858 843 1 3 . 1 1 24 24 LYS CA C 427 57.047 57.047 55.162 1.885 17858 844 1 3 . 1 1 24 24 LYS CB C 427 33.275 33.275 31.681 1.594 17858 845 1 3 . 1 1 24 24 LYS H H 427 8.525 8.525 8.569 -0.044 17858 846 1 3 . 1 1 25 25 TYR N N 428 123.059 123.059 115.500 7.559 17858 847 1 3 . 1 1 25 25 TYR HA H 428 4.569 4.569 4.637 -0.068 17858 848 1 3 . 1 1 25 25 TYR CA C 428 58.470 58.470 56.495 1.975 17858 849 1 3 . 1 1 25 25 TYR CB C 428 39.830 39.830 41.532 -1.702 17858 850 1 3 . 1 1 25 25 TYR H H 428 8.066 8.066 7.176 0.890 17858 851 1 3 . 1 1 26 26 ARG N N 429 116.840 116.840 117.487 -0.647 17858 852 1 3 . 1 1 26 26 ARG HA H 429 4.429 4.429 4.508 -0.079 17858 853 1 3 . 1 1 26 26 ARG CA C 429 58.979 58.979 55.173 3.806 17858 854 1 3 . 1 1 26 26 ARG CB C 429 33.073 33.073 32.040 1.033 17858 855 1 3 . 1 1 26 26 ARG H H 429 8.275 8.275 8.322 -0.047 17858 856 1 3 . 1 1 27 27 HIS N N 430 117.522 117.522 119.433 -1.911 17858 857 1 3 . 1 1 27 27 HIS HA H 430 4.553 4.553 4.874 -0.321 17858 858 1 3 . 1 1 27 27 HIS CA C 430 56.912 56.912 55.106 1.806 17858 859 1 3 . 1 1 27 27 HIS CB C 430 30.715 30.715 34.111 -3.396 17858 860 1 3 . 1 1 27 27 HIS H H 430 8.154 8.154 8.827 -0.673 17858 861 1 3 . 1 1 28 28 ALA N N 431 126.087 126.087 125.925 0.162 17858 862 1 3 . 1 1 28 28 ALA HA H 431 4.106 4.106 4.576 -0.470 17858 863 1 3 . 1 1 28 28 ALA CA C 431 51.833 51.833 51.762 0.071 17858 864 1 3 . 1 1 28 28 ALA CB C 431 18.291 18.291 19.647 -1.356 17858 865 1 3 . 1 1 28 28 ALA H H 431 8.061 8.061 8.757 -0.696 17858 866 1 3 . 1 1 29 29 ARG N N 432 121.538 121.538 122.516 -0.978 17858 867 1 3 . 1 1 29 29 ARG HA H 432 4.280 4.280 4.646 -0.366 17858 868 1 3 . 1 1 29 29 ARG CA C 432 55.492 55.492 56.005 -0.513 17858 869 1 3 . 1 1 29 29 ARG CB C 432 31.353 31.353 30.274 1.079 17858 870 1 3 . 1 1 29 29 ARG H H 432 8.630 8.630 8.836 -0.206 17858 871 1 3 . 1 1 30 30 SER N N 433 112.439 112.439 114.751 -2.312 17858 872 1 3 . 1 1 30 30 SER HA H 433 4.463 4.463 4.418 0.045 17858 873 1 3 . 1 1 30 30 SER CA C 433 56.566 56.566 57.695 -1.129 17858 874 1 3 . 1 1 30 30 SER CB C 433 64.803 64.803 64.421 0.382 17858 875 1 3 . 1 1 30 30 SER H H 433 7.450 7.450 7.769 -0.319 17858 876 1 3 . 1 1 31 31 HIS N N 434 121.494 121.494 118.009 3.485 17858 877 1 3 . 1 1 31 31 HIS HA H 434 4.279 4.279 4.429 -0.150 17858 878 1 3 . 1 1 31 31 HIS CA C 434 56.955 56.955 55.208 1.747 17858 879 1 3 . 1 1 31 31 HIS CB C 434 29.834 29.834 28.747 1.087 17858 880 1 3 . 1 1 31 31 HIS H H 434 8.132 8.132 8.347 -0.215 17858 881 1 3 . 1 1 32 32 ILE N N 435 123.851 123.851 123.415 0.436 17858 882 1 3 . 1 1 32 32 ILE HA H 435 3.506 3.506 3.843 -0.337 17858 883 1 3 . 1 1 32 32 ILE CA C 435 61.345 61.345 59.173 2.172 17858 884 1 3 . 1 1 32 32 ILE CB C 435 37.765 37.765 36.534 1.231 17858 885 1 3 . 1 1 32 32 ILE H H 435 7.858 7.858 7.960 -0.102 17858 886 1 3 . 1 1 33 33 MET N N 436 125.294 125.294 124.526 0.768 17858 887 1 3 . 1 1 33 33 MET HA H 436 4.050 4.050 4.644 -0.594 17858 888 1 3 . 1 1 33 33 MET CA C 436 54.733 54.733 56.074 -1.341 17858 889 1 3 . 1 1 33 33 MET CB C 436 31.934 31.934 33.806 -1.872 17858 890 1 3 . 1 1 33 33 MET H H 436 8.317 8.317 8.336 -0.019 17858 891 1 3 . 1 1 34 34 CYS N N 437 127.958 127.958 119.261 8.697 17858 892 1 3 . 1 1 34 34 CYS HA H 437 3.389 3.389 5.094 -1.705 17858 893 1 3 . 1 1 34 34 CYS CA C 437 61.544 61.544 58.228 3.316 17858 894 1 3 . 1 1 34 34 CYS CB C 437 31.325 31.325 29.681 1.644 17858 895 1 3 . 1 1 34 34 CYS H H 437 9.255 9.255 8.374 0.881 17858 896 1 3 . 1 1 35 35 ARG N N 438 131.582 131.582 126.800 4.782 17858 897 1 3 . 1 1 35 35 ARG HA H 438 3.887 3.887 4.152 -0.265 17858 898 1 3 . 1 1 35 35 ARG CA C 438 59.466 59.466 58.864 0.602 17858 899 1 3 . 1 1 35 35 ARG CB C 438 30.251 30.251 30.120 0.131 17858 900 1 3 . 1 1 35 35 ARG H H 438 8.645 8.645 9.148 -0.503 17858 901 1 3 . 1 1 36 36 GLU N N 439 117.530 117.530 118.452 -0.922 17858 902 1 3 . 1 1 36 36 GLU HA H 439 4.284 4.284 4.309 -0.025 17858 903 1 3 . 1 1 36 36 GLU CA C 439 57.440 57.440 55.914 1.526 17858 904 1 3 . 1 1 36 36 GLU CB C 439 30.295 30.295 29.576 0.719 17858 905 1 3 . 1 1 36 36 GLU H H 439 8.302 8.302 8.219 0.083 17858 906 1 3 . 1 1 37 37 GLY N N 440 107.589 107.589 108.774 -1.185 17858 907 1 3 . 1 1 37 37 GLY CA C 440 47.353 47.353 45.791 1.562 17858 908 1 3 . 1 1 37 37 GLY H H 440 7.518 7.518 8.171 -0.653 17858 909 1 3 . 1 1 38 38 ALA N N 441 126.673 126.673 125.208 1.465 17858 910 1 3 . 1 1 38 38 ALA HA H 441 4.180 4.180 4.241 -0.061 17858 911 1 3 . 1 1 38 38 ALA CA C 441 53.717 53.717 52.962 0.754 17858 912 1 3 . 1 1 38 38 ALA CB C 441 19.127 19.127 18.761 0.366 17858 913 1 3 . 1 1 38 38 ALA H H 441 9.114 9.114 8.558 0.556 17858 914 1 3 . 1 1 39 39 ASN N N 442 113.951 113.951 114.921 -0.970 17858 915 1 3 . 1 1 39 39 ASN HA H 442 4.655 4.655 4.867 -0.212 17858 916 1 3 . 1 1 39 39 ASN CA C 442 52.940 52.940 53.484 -0.545 17858 917 1 3 . 1 1 39 39 ASN CB C 442 39.264 39.264 39.215 0.049 17858 918 1 3 . 1 1 39 39 ASN H H 442 8.072 8.072 7.688 0.384 17858 919 1 3 . 1 1 40 40 CYS N N 443 122.245 122.245 119.813 2.432 17858 920 1 3 . 1 1 40 40 CYS HA H 443 4.070 4.070 4.217 -0.147 17858 921 1 3 . 1 1 40 40 CYS CA C 443 60.661 60.661 60.395 0.266 17858 922 1 3 . 1 1 40 40 CYS CB C 443 31.037 31.037 27.980 3.057 17858 923 1 3 . 1 1 40 40 CYS H H 443 7.237 7.237 7.256 -0.019 17858 924 1 3 . 1 1 41 41 THR N N 444 120.684 120.684 115.949 4.735 17858 925 1 3 . 1 1 41 41 THR HA H 444 4.411 4.411 4.385 0.026 17858 926 1 3 . 1 1 41 41 THR CA C 444 61.110 61.110 61.373 -0.263 17858 927 1 3 . 1 1 41 41 THR CB C 444 68.937 68.937 68.632 0.305 17858 928 1 3 . 1 1 41 41 THR H H 444 9.033 9.033 8.351 0.682 17858 929 1 3 . 1 1 42 42 ARG N N 445 123.977 123.977 120.874 3.103 17858 930 1 3 . 1 1 42 42 ARG HA H 445 4.329 4.329 4.467 -0.138 17858 931 1 3 . 1 1 42 42 ARG CA C 445 56.416 56.416 55.196 1.220 17858 932 1 3 . 1 1 42 42 ARG CB C 445 30.604 30.604 32.962 -2.358 17858 933 1 3 . 1 1 42 42 ARG H H 445 7.927 7.927 7.483 0.444 17858 934 1 3 . 1 1 43 43 ILE N N 446 132.203 132.203 121.804 10.399 17858 935 1 3 . 1 1 43 43 ILE HA H 446 3.609 3.609 4.135 -0.526 17858 936 1 3 . 1 1 43 43 ILE CA C 446 63.023 63.023 62.139 0.883 17858 937 1 3 . 1 1 43 43 ILE CB C 446 38.463 38.463 38.754 -0.291 17858 938 1 3 . 1 1 43 43 ILE H H 446 9.010 9.010 8.507 0.503 17858 939 1 3 . 1 1 44 44 ASP N N 447 116.309 116.309 119.175 -2.866 17858 940 1 3 . 1 1 44 44 ASP HA H 447 4.555 4.555 4.714 -0.159 17858 941 1 3 . 1 1 44 44 ASP CA C 447 52.727 52.727 53.436 -0.709 17858 942 1 3 . 1 1 44 44 ASP CB C 447 40.177 40.177 40.608 -0.431 17858 943 1 3 . 1 1 44 44 ASP H H 447 8.191 8.191 8.136 0.055 17858 944 1 3 . 1 1 45 45 CYS N N 448 121.173 121.173 119.371 1.802 17858 945 1 3 . 1 1 45 45 CYS HA H 448 3.913 3.913 4.434 -0.521 17858 946 1 3 . 1 1 45 45 CYS CA C 448 62.082 62.082 58.534 3.548 17858 947 1 3 . 1 1 45 45 CYS CB C 448 31.510 31.510 28.016 3.494 17858 948 1 3 . 1 1 45 45 CYS H H 448 7.113 7.113 7.961 -0.848 17858 949 1 3 . 1 1 46 46 LEU N N 449 128.150 128.150 127.656 0.494 17858 950 1 3 . 1 1 46 46 LEU HA H 449 4.657 4.657 4.769 -0.112 17858 951 1 3 . 1 1 46 46 LEU CA C 449 55.144 55.144 53.984 1.160 17858 952 1 3 . 1 1 46 46 LEU CB C 449 43.004 43.004 41.326 1.678 17858 953 1 3 . 1 1 46 46 LEU H H 449 8.451 8.451 8.472 -0.021 17858 954 1 3 . 1 1 47 47 PHE N N 450 120.646 120.646 119.747 0.899 17858 955 1 3 . 1 1 47 47 PHE HA H 450 4.527 4.527 4.854 -0.327 17858 956 1 3 . 1 1 47 47 PHE CA C 450 58.198 58.198 54.592 3.606 17858 957 1 3 . 1 1 47 47 PHE CB C 450 39.901 39.901 41.206 -1.306 17858 958 1 3 . 1 1 47 47 PHE H H 450 8.390 8.390 7.232 1.158 17858 959 1 3 . 1 1 48 48 GLY N N 451 104.118 104.118 108.983 -4.865 17858 960 1 3 . 1 1 48 48 GLY CA C 451 47.675 47.675 44.802 2.873 17858 961 1 3 . 1 1 48 48 GLY H H 451 8.643 8.643 8.294 0.349 17858 962 1 3 . 1 1 49 49 HIS N N 452 119.710 119.710 124.521 -4.811 17858 963 1 3 . 1 1 49 49 HIS HA H 452 4.725 4.725 4.814 -0.089 17858 964 1 3 . 1 1 49 49 HIS CA C 452 54.408 54.408 52.584 1.824 17858 965 1 3 . 1 1 49 49 HIS CB C 452 29.515 29.515 31.760 -2.245 17858 966 1 3 . 1 1 49 49 HIS H H 452 6.951 6.951 8.079 -1.128 17858 967 1 3 . 1 1 50 50 PRO HA H 453 4.291 4.291 4.398 -0.107 17858 968 1 3 . 1 1 50 50 PRO CA C 453 63.872 63.872 63.005 0.868 17858 969 1 3 . 1 1 50 50 PRO CB C 453 32.724 32.724 32.639 0.085 17858 970 1 3 . 1 1 51 51 ILE N N 454 122.942 122.942 118.481 4.461 17858 971 1 3 . 1 1 51 51 ILE HA H 454 3.787 3.787 4.205 -0.418 17858 972 1 3 . 1 1 51 51 ILE CA C 454 61.010 61.010 60.290 0.720 17858 973 1 3 . 1 1 51 51 ILE CB C 454 40.204 40.204 42.964 -2.760 17858 974 1 3 . 1 1 51 51 ILE H H 454 8.189 8.189 7.905 0.284 17858 975 1 3 . 1 1 52 52 ASN N N 455 128.496 128.496 124.389 4.107 17858 976 1 3 . 1 1 52 52 ASN HA H 455 4.641 4.641 4.707 -0.066 17858 977 1 3 . 1 1 52 52 ASN CA C 455 52.832 52.832 53.461 -0.629 17858 978 1 3 . 1 1 52 52 ASN CB C 455 36.969 36.969 38.131 -1.162 17858 979 1 3 . 1 1 52 52 ASN H H 455 8.791 8.791 8.608 0.183 17858 980 1 3 . 1 1 53 53 GLU N N 456 120.059 120.059 122.399 -2.340 17858 981 1 3 . 1 1 53 53 GLU HA H 456 4.318 4.318 4.484 -0.166 17858 982 1 3 . 1 1 53 53 GLU CA C 456 55.588 55.588 55.333 0.255 17858 983 1 3 . 1 1 53 53 GLU CB C 456 33.826 33.826 34.048 -0.222 17858 984 1 3 . 1 1 53 53 GLU H H 456 8.177 8.177 8.041 0.136 17858 985 1 3 . 1 1 54 54 ASP N N 457 124.404 124.404 123.206 1.198 17858 986 1 3 . 1 1 54 54 ASP HA H 457 4.446 4.446 5.116 -0.670 17858 987 1 3 . 1 1 54 54 ASP CA C 457 55.594 55.594 52.696 2.898 17858 988 1 3 . 1 1 54 54 ASP CB C 457 41.033 41.033 41.483 -0.449 17858 989 1 3 . 1 1 54 54 ASP H H 457 8.923 8.923 8.365 0.558 17858 990 1 3 . 1 1 55 55 CYS N N 458 125.765 125.765 124.398 1.367 17858 991 1 3 . 1 1 55 55 CYS HA H 458 3.360 3.360 4.266 -0.906 17858 992 1 3 . 1 1 55 55 CYS CA C 458 61.284 61.284 60.033 1.251 17858 993 1 3 . 1 1 55 55 CYS CB C 458 31.125 31.125 29.119 2.006 17858 994 1 3 . 1 1 55 55 CYS H H 458 9.113 9.113 8.132 0.981 17858 995 1 3 . 1 1 56 56 ARG N N 459 130.790 130.790 123.441 7.349 17858 996 1 3 . 1 1 56 56 ARG HA H 459 3.875 3.875 4.158 -0.283 17858 997 1 3 . 1 1 56 56 ARG CA C 459 58.610 58.610 58.118 0.492 17858 998 1 3 . 1 1 56 56 ARG CB C 459 29.566 29.566 29.928 -0.362 17858 999 1 3 . 1 1 56 56 ARG H H 459 8.601 8.601 8.661 -0.060 17858 1000 1 3 . 1 1 57 57 PHE N N 460 119.175 119.175 118.413 0.762 17858 1001 1 3 . 1 1 57 57 PHE HA H 460 4.560 4.560 4.425 0.135 17858 1002 1 3 . 1 1 57 57 PHE CA C 460 58.367 58.367 59.085 -0.718 17858 1003 1 3 . 1 1 57 57 PHE CB C 460 39.049 39.049 39.699 -0.650 17858 1004 1 3 . 1 1 57 57 PHE H H 460 8.589 8.589 7.995 0.594 17858 1005 1 3 . 1 1 58 58 GLY N N 461 107.317 107.317 106.356 0.961 17858 1006 1 3 . 1 1 58 58 GLY CA C 461 47.253 47.253 45.271 1.982 17858 1007 1 3 . 1 1 58 58 GLY H H 461 7.386 7.386 8.519 -1.133 17858 1008 1 3 . 1 1 59 59 VAL N N 462 120.829 120.829 118.585 2.244 17858 1009 1 3 . 1 1 59 59 VAL HA H 462 3.674 3.674 4.275 -0.601 17858 1010 1 3 . 1 1 59 59 VAL CA C 462 64.142 64.142 62.499 1.643 17858 1011 1 3 . 1 1 59 59 VAL CB C 462 32.275 32.275 31.941 0.334 17858 1012 1 3 . 1 1 59 59 VAL H H 462 8.881 8.881 8.324 0.557 17858 1013 1 3 . 1 1 60 60 ASN N N 463 114.923 114.923 117.019 -2.096 17858 1014 1 3 . 1 1 60 60 ASN HA H 463 4.667 4.667 4.707 -0.040 17858 1015 1 3 . 1 1 60 60 ASN CA C 463 53.316 53.316 53.980 -0.664 17858 1016 1 3 . 1 1 60 60 ASN CB C 463 39.355 39.355 38.918 0.437 17858 1017 1 3 . 1 1 60 60 ASN H H 463 7.819 7.819 7.975 -0.156 17858 1018 1 3 . 1 1 61 61 CYS N N 464 121.670 121.670 120.726 0.944 17858 1019 1 3 . 1 1 61 61 CYS HA H 464 3.770 3.770 3.801 -0.031 17858 1020 1 3 . 1 1 61 61 CYS CA C 464 61.725 61.725 59.986 1.739 17858 1021 1 3 . 1 1 61 61 CYS CB C 464 30.891 30.891 26.608 4.283 17858 1022 1 3 . 1 1 61 61 CYS H H 464 7.049 7.049 8.201 -1.152 17858 1023 1 3 . 1 1 62 62 LYS N N 465 131.072 131.072 126.614 4.458 17858 1024 1 3 . 1 1 62 62 LYS HA H 465 4.312 4.312 4.348 -0.036 17858 1025 1 3 . 1 1 62 62 LYS CA C 465 55.230 55.230 55.974 -0.744 17858 1026 1 3 . 1 1 62 62 LYS CB C 465 32.794 32.794 32.306 0.487 17858 1027 1 3 . 1 1 62 62 LYS H H 465 8.836 8.836 8.241 0.595 17858 1028 1 3 . 1 1 63 63 ASN N N 466 119.130 119.130 117.352 1.778 17858 1029 1 3 . 1 1 63 63 ASN HA H 466 4.596 4.596 4.522 0.074 17858 1030 1 3 . 1 1 63 63 ASN CA C 466 52.210 52.210 51.885 0.325 17858 1031 1 3 . 1 1 63 63 ASN CB C 466 38.827 38.827 40.041 -1.214 17858 1032 1 3 . 1 1 63 63 ASN H H 466 7.660 7.660 7.501 0.159 17858 1033 1 3 . 1 1 64 64 ILE N N 467 125.111 125.111 118.373 6.738 17858 1034 1 3 . 1 1 64 64 ILE HA H 467 3.539 3.539 4.199 -0.660 17858 1035 1 3 . 1 1 64 64 ILE CA C 467 64.493 64.493 60.888 3.605 17858 1036 1 3 . 1 1 64 64 ILE CB C 467 38.068 38.068 38.499 -0.431 17858 1037 1 3 . 1 1 64 64 ILE H H 467 8.475 8.475 7.676 0.799 17858 1038 1 3 . 1 1 65 65 TYR N N 468 118.920 118.920 117.461 1.459 17858 1039 1 3 . 1 1 65 65 TYR HA H 468 4.538 4.538 4.782 -0.244 17858 1040 1 3 . 1 1 65 65 TYR CA C 468 57.003 57.003 55.114 1.889 17858 1041 1 3 . 1 1 65 65 TYR CB C 468 37.716 37.716 36.793 0.923 17858 1042 1 3 . 1 1 65 65 TYR H H 468 7.462 7.462 7.066 0.396 17858 1043 1 3 . 1 1 66 66 CYS N N 469 122.658 122.658 121.507 1.151 17858 1044 1 3 . 1 1 66 66 CYS HA H 469 4.009 4.009 4.574 -0.565 17858 1045 1 3 . 1 1 66 66 CYS CA C 469 62.039 62.039 58.159 3.880 17858 1046 1 3 . 1 1 66 66 CYS CB C 469 31.455 31.455 28.261 3.194 17858 1047 1 3 . 1 1 66 66 CYS H H 469 7.305 7.305 8.235 -0.930 17858 1048 1 3 . 1 1 67 67 LEU N N 470 130.238 130.238 126.576 3.662 17858 1049 1 3 . 1 1 67 67 LEU HA H 470 4.353 4.353 4.386 -0.033 17858 1050 1 3 . 1 1 67 67 LEU CA C 470 55.947 55.947 54.121 1.826 17858 1051 1 3 . 1 1 67 67 LEU CB C 470 42.125 42.125 41.430 0.695 17858 1052 1 3 . 1 1 67 67 LEU H H 470 9.002 9.002 8.408 0.594 17858 1053 1 3 . 1 1 68 68 PHE N N 471 120.946 120.946 117.935 3.011 17858 1054 1 3 . 1 1 68 68 PHE HA H 471 4.576 4.576 4.569 0.007 17858 1055 1 3 . 1 1 68 68 PHE CA C 471 59.242 59.242 55.639 3.603 17858 1056 1 3 . 1 1 68 68 PHE CB C 471 39.865 39.865 40.522 -0.657 17858 1057 1 3 . 1 1 68 68 PHE H H 471 8.519 8.519 7.047 1.472 17858 1058 1 3 . 1 1 69 69 ARG N N 472 116.975 116.975 120.831 -3.856 17858 1059 1 3 . 1 1 69 69 ARG HA H 472 4.331 4.331 4.333 -0.002 17858 1060 1 3 . 1 1 69 69 ARG CA C 472 56.933 56.933 54.895 2.038 17858 1061 1 3 . 1 1 69 69 ARG CB C 472 31.822 31.822 31.895 -0.073 17858 1062 1 3 . 1 1 69 69 ARG H H 472 8.417 8.417 8.775 -0.358 17858 1063 1 3 . 1 1 70 70 HIS N N 473 118.809 118.809 122.862 -4.053 17858 1064 1 3 . 1 1 70 70 HIS HA H 473 4.991 4.991 4.875 0.116 17858 1065 1 3 . 1 1 70 70 HIS CA C 473 55.311 55.311 53.681 1.630 17858 1066 1 3 . 1 1 70 70 HIS CB C 473 30.613 30.613 30.481 0.132 17858 1067 1 3 . 1 1 70 70 HIS H H 473 8.499 8.499 8.417 0.082 17858 1068 1 3 . 1 1 71 71 PRO HA H 474 4.742 4.742 4.538 0.204 17858 1069 1 3 . 1 1 71 71 PRO CA C 474 61.250 61.250 62.049 -0.799 17858 1070 1 3 . 1 1 71 71 PRO CB C 474 30.743 30.743 31.111 -0.368 17858 1071 1 3 . 1 1 72 72 PRO HA H 475 4.279 4.279 4.388 -0.109 17858 1072 1 3 . 1 1 72 72 PRO CA C 475 63.941 63.941 63.401 0.540 17858 1073 1 3 . 1 1 72 72 PRO CB C 475 32.122 32.122 31.416 0.707 17858 1074 1 3 . 1 1 73 73 GLY N N 476 106.525 106.525 112.029 -5.504 17858 1075 1 3 . 1 1 73 73 GLY CA C 476 45.142 45.142 44.862 0.280 17858 1076 1 3 . 1 1 73 73 GLY H H 476 8.359 8.359 8.806 -0.447 17858 1077 1 3 . 1 1 74 74 ARG N N 477 121.516 121.516 119.736 1.780 17858 1078 1 3 . 1 1 74 74 ARG HA H 477 4.223 4.223 4.461 -0.238 17858 1079 1 3 . 1 1 74 74 ARG CA C 477 57.021 57.021 55.645 1.376 17858 1080 1 3 . 1 1 74 74 ARG CB C 477 31.388 31.388 31.596 -0.208 17858 1081 1 3 . 1 1 74 74 ARG H H 477 7.255 7.255 7.832 -0.577 17858 1082 1 3 . 1 1 75 75 VAL N N 478 128.411 128.411 114.713 13.698 17858 1083 1 3 . 1 1 75 75 VAL HA H 478 4.054 4.054 4.334 -0.280 17858 1084 1 3 . 1 1 75 75 VAL CA C 478 61.925 61.925 61.085 0.840 17858 1085 1 3 . 1 1 75 75 VAL CB C 478 33.788 33.788 32.840 0.948 17858 1086 1 3 . 1 1 75 75 VAL H H 478 8.569 8.569 8.335 0.234 17858 1087 1 3 . 1 1 76 76 LEU N N 479 127.195 127.195 120.743 6.452 17858 1088 1 3 . 1 1 76 76 LEU HA H 479 4.462 4.462 4.703 -0.241 17858 1089 1 3 . 1 1 76 76 LEU CA C 479 52.474 52.474 52.469 0.005 17858 1090 1 3 . 1 1 76 76 LEU CB C 479 42.068 42.068 44.140 -2.072 17858 1091 1 3 . 1 1 76 76 LEU H H 479 8.338 8.338 8.106 0.232 17858 1092 1 3 . 1 1 77 77 PRO HA H 480 4.251 4.251 4.430 -0.179 17858 1093 1 3 . 1 1 77 77 PRO CA C 480 63.072 63.072 62.682 0.390 17858 1094 1 3 . 1 1 77 77 PRO CB C 480 32.313 32.313 32.077 0.236 17858 1095 1 3 . 1 1 78 78 GLU N N 481 120.828 120.828 122.601 -1.773 17858 1096 1 3 . 1 1 78 78 GLU HA H 481 4.089 4.089 4.449 -0.360 17858 1097 1 3 . 1 1 78 78 GLU CA C 481 56.521 56.521 56.036 0.485 17858 1098 1 3 . 1 1 78 78 GLU CB C 481 31.032 31.032 31.556 -0.524 17858 1099 1 3 . 1 1 78 78 GLU H H 481 8.328 8.328 8.548 -0.220 17858 1100 1 3 . 1 1 79 79 LYS N N 482 123.778 123.778 123.717 0.061 17858 1101 1 3 . 1 1 79 79 LYS HA H 482 4.166 4.166 4.526 -0.360 17858 1102 1 3 . 1 1 79 79 LYS CA C 482 56.581 56.581 56.504 0.077 17858 1103 1 3 . 1 1 79 79 LYS CB C 482 33.279 33.279 32.598 0.681 17858 1104 1 3 . 1 1 79 79 LYS H H 482 8.332 8.332 8.541 -0.209 17858 1105 1 4 . 1 1 2 2 PRO HA H 405 4.356 4.356 4.504 -0.148 17858 1106 1 4 . 1 1 2 2 PRO CA C 405 63.329 63.329 62.332 0.997 17858 1107 1 4 . 1 1 2 2 PRO CB C 405 32.603 32.603 30.964 1.639 17858 1108 1 4 . 1 1 3 3 LEU N N 406 122.497 122.497 120.957 1.540 17858 1109 1 4 . 1 1 3 3 LEU HA H 406 4.231 4.231 3.978 0.253 17858 1110 1 4 . 1 1 3 3 LEU CA C 406 55.838 55.838 54.962 0.876 17858 1111 1 4 . 1 1 3 3 LEU CB C 406 42.529 42.529 41.334 1.196 17858 1112 1 4 . 1 1 3 3 LEU H H 406 8.571 8.571 8.023 0.548 17858 1113 1 4 . 1 1 4 4 GLY N N 407 110.132 110.132 106.588 3.544 17858 1114 1 4 . 1 1 4 4 GLY CA C 407 45.746 45.746 44.999 0.747 17858 1115 1 4 . 1 1 4 4 GLY H H 407 8.504 8.504 8.050 0.454 17858 1116 1 4 . 1 1 5 5 SER N N 408 114.820 114.820 116.532 -1.712 17858 1117 1 4 . 1 1 5 5 SER HA H 408 4.321 4.321 4.589 -0.268 17858 1118 1 4 . 1 1 5 5 SER CA C 408 58.629 58.629 56.871 1.758 17858 1119 1 4 . 1 1 5 5 SER CB C 408 64.171 64.171 63.310 0.861 17858 1120 1 4 . 1 1 5 5 SER H H 408 8.087 8.087 8.222 -0.135 17858 1121 1 4 . 1 1 6 6 GLU N N 409 122.539 122.539 116.916 5.623 17858 1122 1 4 . 1 1 6 6 GLU HA H 409 4.137 4.137 4.586 -0.449 17858 1123 1 4 . 1 1 6 6 GLU CA C 409 57.076 57.076 56.501 0.575 17858 1124 1 4 . 1 1 6 6 GLU CB C 409 30.420 30.420 29.487 0.933 17858 1125 1 4 . 1 1 6 6 GLU H H 409 8.483 8.483 7.828 0.655 17858 1126 1 4 . 1 1 7 7 LYS N N 410 120.141 120.141 122.791 -2.650 17858 1127 1 4 . 1 1 7 7 LYS HA H 410 4.332 4.332 4.460 -0.128 17858 1128 1 4 . 1 1 7 7 LYS CA C 410 56.279 56.279 56.589 -0.310 17858 1129 1 4 . 1 1 7 7 LYS CB C 410 33.875 33.875 32.792 1.083 17858 1130 1 4 . 1 1 7 7 LYS H H 410 7.997 7.997 8.316 -0.319 17858 1131 1 4 . 1 1 8 8 SER N N 411 114.672 114.672 115.031 -0.359 17858 1132 1 4 . 1 1 8 8 SER HA H 411 4.542 4.542 4.744 -0.202 17858 1133 1 4 . 1 1 8 8 SER CA C 411 56.092 56.092 56.641 -0.549 17858 1134 1 4 . 1 1 8 8 SER CB C 411 65.009 65.009 64.589 0.420 17858 1135 1 4 . 1 1 8 8 SER H H 411 8.214 8.214 7.728 0.486 17858 1136 1 4 . 1 1 9 9 LEU N N 412 122.535 122.535 122.141 0.394 17858 1137 1 4 . 1 1 9 9 LEU HA H 412 3.938 3.938 4.622 -0.684 17858 1138 1 4 . 1 1 9 9 LEU CA C 412 55.495 55.495 53.576 1.919 17858 1139 1 4 . 1 1 9 9 LEU CB C 412 42.864 42.864 40.066 2.798 17858 1140 1 4 . 1 1 9 9 LEU H H 412 8.487 8.487 8.606 -0.119 17858 1141 1 4 . 1 1 10 10 GLU N N 413 121.582 121.582 118.129 3.453 17858 1142 1 4 . 1 1 10 10 GLU HA H 413 3.804 3.804 4.516 -0.712 17858 1143 1 4 . 1 1 10 10 GLU CA C 413 57.749 57.749 55.412 2.337 17858 1144 1 4 . 1 1 10 10 GLU CB C 413 29.807 29.807 32.409 -2.602 17858 1145 1 4 . 1 1 10 10 GLU H H 413 8.483 8.483 7.987 0.496 17858 1146 1 4 . 1 1 11 11 GLN N N 414 124.052 124.052 118.860 5.192 17858 1147 1 4 . 1 1 11 11 GLN HA H 414 3.768 3.768 4.674 -0.906 17858 1148 1 4 . 1 1 11 11 GLN CA C 414 55.415 55.415 54.858 0.557 17858 1149 1 4 . 1 1 11 11 GLN CB C 414 29.918 29.918 31.519 -1.601 17858 1150 1 4 . 1 1 11 11 GLN H H 414 8.475 8.475 8.458 0.017 17858 1151 1 4 . 1 1 12 12 CYS N N 415 129.067 129.067 124.372 4.695 17858 1152 1 4 . 1 1 12 12 CYS HA H 415 3.668 3.668 4.413 -0.745 17858 1153 1 4 . 1 1 12 12 CYS CA C 415 61.173 61.173 60.707 0.466 17858 1154 1 4 . 1 1 12 12 CYS CB C 415 30.342 30.342 28.617 1.725 17858 1155 1 4 . 1 1 12 12 CYS H H 415 9.290 9.290 8.388 0.902 17858 1156 1 4 . 1 1 13 13 LYS N N 416 129.282 129.282 122.126 7.156 17858 1157 1 4 . 1 1 13 13 LYS HA H 416 3.814 3.814 4.786 -0.972 17858 1158 1 4 . 1 1 13 13 LYS CA C 416 58.772 58.772 56.874 1.898 17858 1159 1 4 . 1 1 13 13 LYS CB C 416 32.186 32.186 32.454 -0.268 17858 1160 1 4 . 1 1 13 13 LYS H H 416 8.623 8.623 8.887 -0.264 17858 1161 1 4 . 1 1 14 14 PHE N N 417 119.338 119.338 119.011 0.327 17858 1162 1 4 . 1 1 14 14 PHE HA H 417 4.613 4.613 4.618 -0.005 17858 1163 1 4 . 1 1 14 14 PHE CA C 417 58.971 58.971 59.288 -0.317 17858 1164 1 4 . 1 1 14 14 PHE CB C 417 39.352 39.352 40.589 -1.237 17858 1165 1 4 . 1 1 14 14 PHE H H 417 8.603 8.603 7.943 0.660 17858 1166 1 4 . 1 1 15 15 GLY N N 418 107.206 107.206 107.984 -0.778 17858 1167 1 4 . 1 1 15 15 GLY CA C 418 47.937 47.937 46.374 1.563 17858 1168 1 4 . 1 1 15 15 GLY H H 418 7.472 7.472 8.632 -1.160 17858 1169 1 4 . 1 1 16 16 THR N N 419 117.234 117.234 116.414 0.820 17858 1170 1 4 . 1 1 16 16 THR HA H 419 4.002 4.002 4.341 -0.339 17858 1171 1 4 . 1 1 16 16 THR CA C 419 63.842 63.842 62.020 1.821 17858 1172 1 4 . 1 1 16 16 THR CB C 419 68.778 68.778 69.078 -0.300 17858 1173 1 4 . 1 1 16 16 THR H H 419 8.740 8.740 8.540 0.200 17858 1174 1 4 . 1 1 17 17 HIS N N 420 118.028 118.028 120.941 -2.913 17858 1175 1 4 . 1 1 17 17 HIS HA H 420 4.581 4.581 4.867 -0.286 17858 1176 1 4 . 1 1 17 17 HIS CA C 420 55.612 55.612 55.570 0.042 17858 1177 1 4 . 1 1 17 17 HIS CB C 420 29.751 29.751 30.406 -0.655 17858 1178 1 4 . 1 1 17 17 HIS H H 420 8.059 8.059 7.613 0.446 17858 1179 1 4 . 1 1 18 18 CYS N N 421 122.824 122.824 120.179 2.645 17858 1180 1 4 . 1 1 18 18 CYS HA H 421 3.849 3.849 4.217 -0.368 17858 1181 1 4 . 1 1 18 18 CYS CA C 421 61.733 61.733 59.760 1.973 17858 1182 1 4 . 1 1 18 18 CYS CB C 421 30.570 30.570 26.665 3.905 17858 1183 1 4 . 1 1 18 18 CYS H H 421 7.288 7.288 8.469 -1.181 17858 1184 1 4 . 1 1 19 19 THR N N 422 119.018 119.018 121.507 -2.489 17858 1185 1 4 . 1 1 19 19 THR HA H 422 4.348 4.348 4.351 -0.003 17858 1186 1 4 . 1 1 19 19 THR CA C 422 61.292 61.292 61.110 0.182 17858 1187 1 4 . 1 1 19 19 THR CB C 422 69.612 69.612 68.357 1.255 17858 1188 1 4 . 1 1 19 19 THR H H 422 8.435 8.435 8.015 0.420 17858 1189 1 4 . 1 1 20 20 ASN N N 423 121.923 121.923 120.326 1.597 17858 1190 1 4 . 1 1 20 20 ASN HA H 423 4.690 4.690 4.853 -0.163 17858 1191 1 4 . 1 1 20 20 ASN CA C 423 52.203 52.203 52.595 -0.392 17858 1192 1 4 . 1 1 20 20 ASN CB C 423 38.747 38.747 40.864 -2.117 17858 1193 1 4 . 1 1 20 20 ASN H H 423 7.924 7.924 7.934 -0.010 17858 1194 1 4 . 1 1 21 21 LYS N N 424 127.775 127.775 122.526 5.249 17858 1195 1 4 . 1 1 21 21 LYS HA H 424 3.922 3.922 4.137 -0.215 17858 1196 1 4 . 1 1 21 21 LYS CA C 424 58.647 58.647 57.968 0.679 17858 1197 1 4 . 1 1 21 21 LYS CB C 424 32.289 32.289 33.035 -0.746 17858 1198 1 4 . 1 1 21 21 LYS H H 424 9.094 9.094 8.620 0.474 17858 1199 1 4 . 1 1 22 22 ARG N N 425 116.206 116.206 115.899 0.307 17858 1200 1 4 . 1 1 22 22 ARG HA H 425 4.270 4.270 4.495 -0.225 17858 1201 1 4 . 1 1 22 22 ARG CA C 425 54.832 54.832 54.838 -0.006 17858 1202 1 4 . 1 1 22 22 ARG CB C 425 29.549 29.549 29.114 0.435 17858 1203 1 4 . 1 1 22 22 ARG H H 425 7.825 7.825 7.647 0.178 17858 1204 1 4 . 1 1 23 23 CYS N N 426 123.387 123.387 121.266 2.121 17858 1205 1 4 . 1 1 23 23 CYS HA H 426 3.867 3.867 4.359 -0.492 17858 1206 1 4 . 1 1 23 23 CYS CA C 426 62.205 62.205 60.190 2.015 17858 1207 1 4 . 1 1 23 23 CYS CB C 426 30.940 30.940 29.171 1.769 17858 1208 1 4 . 1 1 23 23 CYS H H 426 7.273 7.273 8.341 -1.068 17858 1209 1 4 . 1 1 24 24 LYS N N 427 128.443 128.443 127.602 0.841 17858 1210 1 4 . 1 1 24 24 LYS HA H 427 4.299 4.299 4.133 0.166 17858 1211 1 4 . 1 1 24 24 LYS CA C 427 57.047 57.047 55.099 1.948 17858 1212 1 4 . 1 1 24 24 LYS CB C 427 33.275 33.275 31.750 1.525 17858 1213 1 4 . 1 1 24 24 LYS H H 427 8.525 8.525 7.904 0.621 17858 1214 1 4 . 1 1 25 25 TYR N N 428 123.059 123.059 116.311 6.748 17858 1215 1 4 . 1 1 25 25 TYR HA H 428 4.569 4.569 4.653 -0.084 17858 1216 1 4 . 1 1 25 25 TYR CA C 428 58.470 58.470 56.167 2.303 17858 1217 1 4 . 1 1 25 25 TYR CB C 428 39.830 39.830 40.741 -0.911 17858 1218 1 4 . 1 1 25 25 TYR H H 428 8.066 8.066 7.025 1.041 17858 1219 1 4 . 1 1 26 26 ARG N N 429 116.840 116.840 118.322 -1.482 17858 1220 1 4 . 1 1 26 26 ARG HA H 429 4.429 4.429 4.462 -0.033 17858 1221 1 4 . 1 1 26 26 ARG CA C 429 58.979 58.979 55.014 3.965 17858 1222 1 4 . 1 1 26 26 ARG CB C 429 33.073 33.073 31.905 1.167 17858 1223 1 4 . 1 1 26 26 ARG H H 429 8.275 8.275 8.707 -0.432 17858 1224 1 4 . 1 1 27 27 HIS N N 430 117.522 117.522 119.105 -1.583 17858 1225 1 4 . 1 1 27 27 HIS HA H 430 4.553 4.553 4.861 -0.308 17858 1226 1 4 . 1 1 27 27 HIS CA C 430 56.912 56.912 55.114 1.798 17858 1227 1 4 . 1 1 27 27 HIS CB C 430 30.715 30.715 33.680 -2.965 17858 1228 1 4 . 1 1 27 27 HIS H H 430 8.154 8.154 8.847 -0.693 17858 1229 1 4 . 1 1 28 28 ALA N N 431 126.087 126.087 126.981 -0.894 17858 1230 1 4 . 1 1 28 28 ALA HA H 431 4.106 4.106 4.450 -0.344 17858 1231 1 4 . 1 1 28 28 ALA CA C 431 51.833 51.833 52.057 -0.224 17858 1232 1 4 . 1 1 28 28 ALA CB C 431 18.291 18.291 19.256 -0.965 17858 1233 1 4 . 1 1 28 28 ALA H H 431 8.061 8.061 8.757 -0.696 17858 1234 1 4 . 1 1 29 29 ARG N N 432 121.538 121.538 122.274 -0.736 17858 1235 1 4 . 1 1 29 29 ARG HA H 432 4.280 4.280 4.592 -0.312 17858 1236 1 4 . 1 1 29 29 ARG CA C 432 55.492 55.492 56.191 -0.699 17858 1237 1 4 . 1 1 29 29 ARG CB C 432 31.353 31.353 30.592 0.761 17858 1238 1 4 . 1 1 29 29 ARG H H 432 8.630 8.630 8.898 -0.268 17858 1239 1 4 . 1 1 30 30 SER N N 433 112.439 112.439 113.733 -1.294 17858 1240 1 4 . 1 1 30 30 SER HA H 433 4.463 4.463 4.540 -0.077 17858 1241 1 4 . 1 1 30 30 SER CA C 433 56.566 56.566 57.740 -1.174 17858 1242 1 4 . 1 1 30 30 SER CB C 433 64.803 64.803 64.707 0.096 17858 1243 1 4 . 1 1 30 30 SER H H 433 7.450 7.450 7.657 -0.207 17858 1244 1 4 . 1 1 31 31 HIS N N 434 121.494 121.494 117.954 3.540 17858 1245 1 4 . 1 1 31 31 HIS HA H 434 4.279 4.279 4.365 -0.086 17858 1246 1 4 . 1 1 31 31 HIS CA C 434 56.955 56.955 55.233 1.722 17858 1247 1 4 . 1 1 31 31 HIS CB C 434 29.834 29.834 28.904 0.930 17858 1248 1 4 . 1 1 31 31 HIS H H 434 8.132 8.132 8.399 -0.267 17858 1249 1 4 . 1 1 32 32 ILE N N 435 123.851 123.851 123.504 0.347 17858 1250 1 4 . 1 1 32 32 ILE HA H 435 3.506 3.506 3.831 -0.325 17858 1251 1 4 . 1 1 32 32 ILE CA C 435 61.345 61.345 59.191 2.154 17858 1252 1 4 . 1 1 32 32 ILE CB C 435 37.765 37.765 36.393 1.372 17858 1253 1 4 . 1 1 32 32 ILE H H 435 7.858 7.858 7.957 -0.099 17858 1254 1 4 . 1 1 33 33 MET N N 436 125.294 125.294 124.573 0.721 17858 1255 1 4 . 1 1 33 33 MET HA H 436 4.050 4.050 4.652 -0.602 17858 1256 1 4 . 1 1 33 33 MET CA C 436 54.733 54.733 56.196 -1.462 17858 1257 1 4 . 1 1 33 33 MET CB C 436 31.934 31.934 33.836 -1.902 17858 1258 1 4 . 1 1 33 33 MET H H 436 8.317 8.317 8.339 -0.022 17858 1259 1 4 . 1 1 34 34 CYS N N 437 127.958 127.958 119.257 8.701 17858 1260 1 4 . 1 1 34 34 CYS HA H 437 3.389 3.389 5.093 -1.704 17858 1261 1 4 . 1 1 34 34 CYS CA C 437 61.544 61.544 58.231 3.313 17858 1262 1 4 . 1 1 34 34 CYS CB C 437 31.325 31.325 29.655 1.669 17858 1263 1 4 . 1 1 34 34 CYS H H 437 9.255 9.255 8.369 0.886 17858 1264 1 4 . 1 1 35 35 ARG N N 438 131.582 131.582 126.798 4.784 17858 1265 1 4 . 1 1 35 35 ARG HA H 438 3.887 3.887 4.162 -0.275 17858 1266 1 4 . 1 1 35 35 ARG CA C 438 59.466 59.466 58.826 0.640 17858 1267 1 4 . 1 1 35 35 ARG CB C 438 30.251 30.251 30.122 0.129 17858 1268 1 4 . 1 1 35 35 ARG H H 438 8.645 8.645 9.148 -0.503 17858 1269 1 4 . 1 1 36 36 GLU N N 439 117.530 117.530 118.476 -0.946 17858 1270 1 4 . 1 1 36 36 GLU HA H 439 4.284 4.284 4.309 -0.025 17858 1271 1 4 . 1 1 36 36 GLU CA C 439 57.440 57.440 55.948 1.492 17858 1272 1 4 . 1 1 36 36 GLU CB C 439 30.295 30.295 29.710 0.584 17858 1273 1 4 . 1 1 36 36 GLU H H 439 8.302 8.302 8.209 0.093 17858 1274 1 4 . 1 1 37 37 GLY N N 440 107.589 107.589 108.776 -1.187 17858 1275 1 4 . 1 1 37 37 GLY CA C 440 47.353 47.353 45.873 1.480 17858 1276 1 4 . 1 1 37 37 GLY H H 440 7.518 7.518 8.161 -0.643 17858 1277 1 4 . 1 1 38 38 ALA N N 441 126.673 126.673 125.419 1.254 17858 1278 1 4 . 1 1 38 38 ALA HA H 441 4.180 4.180 4.279 -0.099 17858 1279 1 4 . 1 1 38 38 ALA CA C 441 53.717 53.717 52.693 1.024 17858 1280 1 4 . 1 1 38 38 ALA CB C 441 19.127 19.127 18.677 0.450 17858 1281 1 4 . 1 1 38 38 ALA H H 441 9.114 9.114 8.532 0.582 17858 1282 1 4 . 1 1 39 39 ASN N N 442 113.951 113.951 116.217 -2.266 17858 1283 1 4 . 1 1 39 39 ASN HA H 442 4.655 4.655 4.768 -0.113 17858 1284 1 4 . 1 1 39 39 ASN CA C 442 52.940 52.940 53.623 -0.683 17858 1285 1 4 . 1 1 39 39 ASN CB C 442 39.264 39.264 39.367 -0.103 17858 1286 1 4 . 1 1 39 39 ASN H H 442 8.072 8.072 7.748 0.324 17858 1287 1 4 . 1 1 40 40 CYS N N 443 122.245 122.245 119.398 2.847 17858 1288 1 4 . 1 1 40 40 CYS HA H 443 4.070 4.070 4.230 -0.160 17858 1289 1 4 . 1 1 40 40 CYS CA C 443 60.661 60.661 60.132 0.529 17858 1290 1 4 . 1 1 40 40 CYS CB C 443 31.037 31.037 27.994 3.043 17858 1291 1 4 . 1 1 40 40 CYS H H 443 7.237 7.237 7.306 -0.069 17858 1292 1 4 . 1 1 41 41 THR N N 444 120.684 120.684 116.680 4.004 17858 1293 1 4 . 1 1 41 41 THR HA H 444 4.411 4.411 4.374 0.037 17858 1294 1 4 . 1 1 41 41 THR CA C 444 61.110 61.110 61.145 -0.035 17858 1295 1 4 . 1 1 41 41 THR CB C 444 68.937 68.937 68.797 0.140 17858 1296 1 4 . 1 1 41 41 THR H H 444 9.033 9.033 8.295 0.738 17858 1297 1 4 . 1 1 42 42 ARG N N 445 123.977 123.977 121.175 2.802 17858 1298 1 4 . 1 1 42 42 ARG HA H 445 4.329 4.329 4.443 -0.114 17858 1299 1 4 . 1 1 42 42 ARG CA C 445 56.416 56.416 55.353 1.063 17858 1300 1 4 . 1 1 42 42 ARG CB C 445 30.604 30.604 32.850 -2.246 17858 1301 1 4 . 1 1 42 42 ARG H H 445 7.927 7.927 7.546 0.381 17858 1302 1 4 . 1 1 43 43 ILE N N 446 132.203 132.203 122.512 9.691 17858 1303 1 4 . 1 1 43 43 ILE HA H 446 3.609 3.609 4.228 -0.619 17858 1304 1 4 . 1 1 43 43 ILE CA C 446 63.023 63.023 61.549 1.474 17858 1305 1 4 . 1 1 43 43 ILE CB C 446 38.463 38.463 38.676 -0.213 17858 1306 1 4 . 1 1 43 43 ILE H H 446 9.010 9.010 8.585 0.425 17858 1307 1 4 . 1 1 44 44 ASP N N 447 116.309 116.309 119.298 -2.989 17858 1308 1 4 . 1 1 44 44 ASP HA H 447 4.555 4.555 4.701 -0.146 17858 1309 1 4 . 1 1 44 44 ASP CA C 447 52.727 52.727 54.167 -1.440 17858 1310 1 4 . 1 1 44 44 ASP CB C 447 40.177 40.177 40.830 -0.653 17858 1311 1 4 . 1 1 44 44 ASP H H 447 8.191 8.191 7.948 0.243 17858 1312 1 4 . 1 1 45 45 CYS N N 448 121.173 121.173 119.713 1.460 17858 1313 1 4 . 1 1 45 45 CYS HA H 448 3.913 3.913 4.460 -0.547 17858 1314 1 4 . 1 1 45 45 CYS CA C 448 62.082 62.082 58.824 3.258 17858 1315 1 4 . 1 1 45 45 CYS CB C 448 31.510 31.510 26.980 4.530 17858 1316 1 4 . 1 1 45 45 CYS H H 448 7.113 7.113 8.036 -0.923 17858 1317 1 4 . 1 1 46 46 LEU N N 449 128.150 128.150 128.172 -0.022 17858 1318 1 4 . 1 1 46 46 LEU HA H 449 4.657 4.657 4.710 -0.053 17858 1319 1 4 . 1 1 46 46 LEU CA C 449 55.144 55.144 54.033 1.111 17858 1320 1 4 . 1 1 46 46 LEU CB C 449 43.004 43.004 41.344 1.660 17858 1321 1 4 . 1 1 46 46 LEU H H 449 8.451 8.451 8.451 -0.000 17858 1322 1 4 . 1 1 47 47 PHE N N 450 120.646 120.646 119.124 1.522 17858 1323 1 4 . 1 1 47 47 PHE HA H 450 4.527 4.527 4.821 -0.294 17858 1324 1 4 . 1 1 47 47 PHE CA C 450 58.198 58.198 54.726 3.472 17858 1325 1 4 . 1 1 47 47 PHE CB C 450 39.901 39.901 41.034 -1.133 17858 1326 1 4 . 1 1 47 47 PHE H H 450 8.390 8.390 7.207 1.183 17858 1327 1 4 . 1 1 48 48 GLY N N 451 104.118 104.118 108.975 -4.857 17858 1328 1 4 . 1 1 48 48 GLY CA C 451 47.675 47.675 44.732 2.943 17858 1329 1 4 . 1 1 48 48 GLY H H 451 8.643 8.643 8.286 0.357 17858 1330 1 4 . 1 1 49 49 HIS N N 452 119.710 119.710 124.592 -4.882 17858 1331 1 4 . 1 1 49 49 HIS HA H 452 4.725 4.725 4.797 -0.072 17858 1332 1 4 . 1 1 49 49 HIS CA C 452 54.408 54.408 52.582 1.826 17858 1333 1 4 . 1 1 49 49 HIS CB C 452 29.515 29.515 32.052 -2.537 17858 1334 1 4 . 1 1 49 49 HIS H H 452 6.951 6.951 8.161 -1.210 17858 1335 1 4 . 1 1 50 50 PRO HA H 453 4.291 4.291 4.400 -0.109 17858 1336 1 4 . 1 1 50 50 PRO CA C 453 63.872 63.872 62.935 0.937 17858 1337 1 4 . 1 1 50 50 PRO CB C 453 32.724 32.724 32.725 -0.001 17858 1338 1 4 . 1 1 51 51 ILE N N 454 122.942 122.942 117.913 5.029 17858 1339 1 4 . 1 1 51 51 ILE HA H 454 3.787 3.787 4.242 -0.455 17858 1340 1 4 . 1 1 51 51 ILE CA C 454 61.010 61.010 60.279 0.731 17858 1341 1 4 . 1 1 51 51 ILE CB C 454 40.204 40.204 42.825 -2.620 17858 1342 1 4 . 1 1 51 51 ILE H H 454 8.189 8.189 7.964 0.225 17858 1343 1 4 . 1 1 52 52 ASN N N 455 128.496 128.496 123.470 5.026 17858 1344 1 4 . 1 1 52 52 ASN HA H 455 4.641 4.641 4.673 -0.032 17858 1345 1 4 . 1 1 52 52 ASN CA C 455 52.832 52.832 54.179 -1.347 17858 1346 1 4 . 1 1 52 52 ASN CB C 455 36.969 36.969 38.341 -1.372 17858 1347 1 4 . 1 1 52 52 ASN H H 455 8.791 8.791 8.624 0.167 17858 1348 1 4 . 1 1 53 53 GLU N N 456 120.059 120.059 123.782 -3.723 17858 1349 1 4 . 1 1 53 53 GLU HA H 456 4.318 4.318 4.400 -0.082 17858 1350 1 4 . 1 1 53 53 GLU CA C 456 55.588 55.588 55.279 0.309 17858 1351 1 4 . 1 1 53 53 GLU CB C 456 33.826 33.826 34.258 -0.432 17858 1352 1 4 . 1 1 53 53 GLU H H 456 8.177 8.177 7.977 0.200 17858 1353 1 4 . 1 1 54 54 ASP N N 457 124.404 124.404 122.648 1.756 17858 1354 1 4 . 1 1 54 54 ASP HA H 457 4.446 4.446 5.258 -0.812 17858 1355 1 4 . 1 1 54 54 ASP CA C 457 55.594 55.594 53.174 2.420 17858 1356 1 4 . 1 1 54 54 ASP CB C 457 41.033 41.033 41.517 -0.484 17858 1357 1 4 . 1 1 54 54 ASP H H 457 8.923 8.923 8.415 0.508 17858 1358 1 4 . 1 1 55 55 CYS N N 458 125.765 125.765 125.091 0.674 17858 1359 1 4 . 1 1 55 55 CYS HA H 458 3.360 3.360 4.354 -0.994 17858 1360 1 4 . 1 1 55 55 CYS CA C 458 61.284 61.284 60.242 1.042 17858 1361 1 4 . 1 1 55 55 CYS CB C 458 31.125 31.125 28.964 2.161 17858 1362 1 4 . 1 1 55 55 CYS H H 458 9.113 9.113 8.051 1.062 17858 1363 1 4 . 1 1 56 56 ARG N N 459 130.790 130.790 123.841 6.949 17858 1364 1 4 . 1 1 56 56 ARG HA H 459 3.875 3.875 4.312 -0.437 17858 1365 1 4 . 1 1 56 56 ARG CA C 459 58.610 58.610 57.993 0.617 17858 1366 1 4 . 1 1 56 56 ARG CB C 459 29.566 29.566 30.238 -0.671 17858 1367 1 4 . 1 1 56 56 ARG H H 459 8.601 8.601 8.840 -0.239 17858 1368 1 4 . 1 1 57 57 PHE N N 460 119.175 119.175 118.169 1.006 17858 1369 1 4 . 1 1 57 57 PHE HA H 460 4.560 4.560 4.418 0.142 17858 1370 1 4 . 1 1 57 57 PHE CA C 460 58.367 58.367 58.795 -0.428 17858 1371 1 4 . 1 1 57 57 PHE CB C 460 39.049 39.049 39.829 -0.780 17858 1372 1 4 . 1 1 57 57 PHE H H 460 8.589 8.589 8.024 0.565 17858 1373 1 4 . 1 1 58 58 GLY N N 461 107.317 107.317 106.376 0.941 17858 1374 1 4 . 1 1 58 58 GLY CA C 461 47.253 47.253 45.215 2.038 17858 1375 1 4 . 1 1 58 58 GLY H H 461 7.386 7.386 8.516 -1.130 17858 1376 1 4 . 1 1 59 59 VAL N N 462 120.829 120.829 118.851 1.978 17858 1377 1 4 . 1 1 59 59 VAL HA H 462 3.674 3.674 4.275 -0.601 17858 1378 1 4 . 1 1 59 59 VAL CA C 462 64.142 64.142 62.479 1.663 17858 1379 1 4 . 1 1 59 59 VAL CB C 462 32.275 32.275 31.977 0.298 17858 1380 1 4 . 1 1 59 59 VAL H H 462 8.881 8.881 8.348 0.533 17858 1381 1 4 . 1 1 60 60 ASN N N 463 114.923 114.923 117.054 -2.131 17858 1382 1 4 . 1 1 60 60 ASN HA H 463 4.667 4.667 4.734 -0.067 17858 1383 1 4 . 1 1 60 60 ASN CA C 463 53.316 53.316 54.099 -0.783 17858 1384 1 4 . 1 1 60 60 ASN CB C 463 39.355 39.355 38.750 0.605 17858 1385 1 4 . 1 1 60 60 ASN H H 463 7.819 7.819 7.998 -0.179 17858 1386 1 4 . 1 1 61 61 CYS N N 464 121.670 121.670 121.355 0.315 17858 1387 1 4 . 1 1 61 61 CYS HA H 464 3.770 3.770 3.968 -0.198 17858 1388 1 4 . 1 1 61 61 CYS CA C 464 61.725 61.725 59.936 1.789 17858 1389 1 4 . 1 1 61 61 CYS CB C 464 30.891 30.891 26.846 4.045 17858 1390 1 4 . 1 1 61 61 CYS H H 464 7.049 7.049 8.232 -1.183 17858 1391 1 4 . 1 1 62 62 LYS N N 465 131.072 131.072 125.775 5.297 17858 1392 1 4 . 1 1 62 62 LYS HA H 465 4.312 4.312 4.479 -0.167 17858 1393 1 4 . 1 1 62 62 LYS CA C 465 55.230 55.230 55.839 -0.609 17858 1394 1 4 . 1 1 62 62 LYS CB C 465 32.794 32.794 32.167 0.627 17858 1395 1 4 . 1 1 62 62 LYS H H 465 8.836 8.836 8.228 0.608 17858 1396 1 4 . 1 1 63 63 ASN N N 466 119.130 119.130 117.919 1.211 17858 1397 1 4 . 1 1 63 63 ASN HA H 466 4.596 4.596 4.519 0.077 17858 1398 1 4 . 1 1 63 63 ASN CA C 466 52.210 52.210 51.982 0.228 17858 1399 1 4 . 1 1 63 63 ASN CB C 466 38.827 38.827 39.876 -1.049 17858 1400 1 4 . 1 1 63 63 ASN H H 466 7.660 7.660 7.516 0.144 17858 1401 1 4 . 1 1 64 64 ILE N N 467 125.111 125.111 117.366 7.745 17858 1402 1 4 . 1 1 64 64 ILE HA H 467 3.539 3.539 4.128 -0.589 17858 1403 1 4 . 1 1 64 64 ILE CA C 467 64.493 64.493 60.433 4.060 17858 1404 1 4 . 1 1 64 64 ILE CB C 467 38.068 38.068 38.578 -0.509 17858 1405 1 4 . 1 1 64 64 ILE H H 467 8.475 8.475 7.355 1.120 17858 1406 1 4 . 1 1 65 65 TYR N N 468 118.920 118.920 117.973 0.947 17858 1407 1 4 . 1 1 65 65 TYR HA H 468 4.538 4.538 4.782 -0.244 17858 1408 1 4 . 1 1 65 65 TYR CA C 468 57.003 57.003 54.907 2.096 17858 1409 1 4 . 1 1 65 65 TYR CB C 468 37.716 37.716 36.634 1.082 17858 1410 1 4 . 1 1 65 65 TYR H H 468 7.462 7.462 7.154 0.308 17858 1411 1 4 . 1 1 66 66 CYS N N 469 122.658 122.658 121.268 1.390 17858 1412 1 4 . 1 1 66 66 CYS HA H 469 4.009 4.009 4.514 -0.505 17858 1413 1 4 . 1 1 66 66 CYS CA C 469 62.039 62.039 58.168 3.871 17858 1414 1 4 . 1 1 66 66 CYS CB C 469 31.455 31.455 28.207 3.248 17858 1415 1 4 . 1 1 66 66 CYS H H 469 7.305 7.305 8.253 -0.948 17858 1416 1 4 . 1 1 67 67 LEU N N 470 130.238 130.238 126.621 3.617 17858 1417 1 4 . 1 1 67 67 LEU HA H 470 4.353 4.353 4.442 -0.089 17858 1418 1 4 . 1 1 67 67 LEU CA C 470 55.947 55.947 54.100 1.847 17858 1419 1 4 . 1 1 67 67 LEU CB C 470 42.125 42.125 41.353 0.772 17858 1420 1 4 . 1 1 67 67 LEU H H 470 9.002 9.002 8.375 0.627 17858 1421 1 4 . 1 1 68 68 PHE N N 471 120.946 120.946 118.631 2.315 17858 1422 1 4 . 1 1 68 68 PHE HA H 471 4.576 4.576 4.632 -0.056 17858 1423 1 4 . 1 1 68 68 PHE CA C 471 59.242 59.242 55.198 4.044 17858 1424 1 4 . 1 1 68 68 PHE CB C 471 39.865 39.865 40.953 -1.088 17858 1425 1 4 . 1 1 68 68 PHE H H 471 8.519 8.519 7.068 1.451 17858 1426 1 4 . 1 1 69 69 ARG N N 472 116.975 116.975 120.800 -3.825 17858 1427 1 4 . 1 1 69 69 ARG HA H 472 4.331 4.331 4.330 0.001 17858 1428 1 4 . 1 1 69 69 ARG CA C 472 56.933 56.933 54.949 1.984 17858 1429 1 4 . 1 1 69 69 ARG CB C 472 31.822 31.822 31.877 -0.055 17858 1430 1 4 . 1 1 69 69 ARG H H 472 8.417 8.417 8.852 -0.435 17858 1431 1 4 . 1 1 70 70 HIS N N 473 118.809 118.809 122.830 -4.021 17858 1432 1 4 . 1 1 70 70 HIS HA H 473 4.991 4.991 4.817 0.174 17858 1433 1 4 . 1 1 70 70 HIS CA C 473 55.311 55.311 53.630 1.681 17858 1434 1 4 . 1 1 70 70 HIS CB C 473 30.613 30.613 30.484 0.129 17858 1435 1 4 . 1 1 70 70 HIS H H 473 8.499 8.499 8.348 0.151 17858 1436 1 4 . 1 1 71 71 PRO HA H 474 4.742 4.742 4.581 0.161 17858 1437 1 4 . 1 1 71 71 PRO CA C 474 61.250 61.250 62.003 -0.753 17858 1438 1 4 . 1 1 71 71 PRO CB C 474 30.743 30.743 31.156 -0.413 17858 1439 1 4 . 1 1 72 72 PRO HA H 475 4.279 4.279 4.365 -0.086 17858 1440 1 4 . 1 1 72 72 PRO CA C 475 63.941 63.941 63.585 0.356 17858 1441 1 4 . 1 1 72 72 PRO CB C 475 32.122 32.122 31.262 0.860 17858 1442 1 4 . 1 1 73 73 GLY N N 476 106.525 106.525 112.448 -5.923 17858 1443 1 4 . 1 1 73 73 GLY CA C 476 45.142 45.142 44.813 0.329 17858 1444 1 4 . 1 1 73 73 GLY H H 476 8.359 8.359 8.796 -0.437 17858 1445 1 4 . 1 1 74 74 ARG N N 477 121.516 121.516 119.605 1.911 17858 1446 1 4 . 1 1 74 74 ARG HA H 477 4.223 4.223 4.446 -0.223 17858 1447 1 4 . 1 1 74 74 ARG CA C 477 57.021 57.021 55.526 1.495 17858 1448 1 4 . 1 1 74 74 ARG CB C 477 31.388 31.388 31.611 -0.223 17858 1449 1 4 . 1 1 74 74 ARG H H 477 7.255 7.255 7.679 -0.424 17858 1450 1 4 . 1 1 75 75 VAL N N 478 128.411 128.411 117.378 11.033 17858 1451 1 4 . 1 1 75 75 VAL HA H 478 4.054 4.054 4.286 -0.232 17858 1452 1 4 . 1 1 75 75 VAL CA C 478 61.925 61.925 61.265 0.660 17858 1453 1 4 . 1 1 75 75 VAL CB C 478 33.788 33.788 33.449 0.339 17858 1454 1 4 . 1 1 75 75 VAL H H 478 8.569 8.569 8.428 0.141 17858 1455 1 4 . 1 1 76 76 LEU N N 479 127.195 127.195 122.315 4.880 17858 1456 1 4 . 1 1 76 76 LEU HA H 479 4.462 4.462 4.726 -0.264 17858 1457 1 4 . 1 1 76 76 LEU CA C 479 52.474 52.474 52.441 0.033 17858 1458 1 4 . 1 1 76 76 LEU CB C 479 42.068 42.068 44.499 -2.431 17858 1459 1 4 . 1 1 76 76 LEU H H 479 8.338 8.338 8.181 0.157 17858 1460 1 4 . 1 1 77 77 PRO HA H 480 4.251 4.251 4.455 -0.204 17858 1461 1 4 . 1 1 77 77 PRO CA C 480 63.072 63.072 62.773 0.299 17858 1462 1 4 . 1 1 77 77 PRO CB C 480 32.313 32.313 31.871 0.442 17858 1463 1 4 . 1 1 78 78 GLU N N 481 120.828 120.828 122.705 -1.877 17858 1464 1 4 . 1 1 78 78 GLU HA H 481 4.089 4.089 4.517 -0.428 17858 1465 1 4 . 1 1 78 78 GLU CA C 481 56.521 56.521 55.648 0.873 17858 1466 1 4 . 1 1 78 78 GLU CB C 481 31.032 31.032 31.845 -0.813 17858 1467 1 4 . 1 1 78 78 GLU H H 481 8.328 8.328 8.600 -0.272 17858 1468 1 4 . 1 1 79 79 LYS N N 482 123.778 123.778 122.484 1.294 17858 1469 1 4 . 1 1 79 79 LYS HA H 482 4.166 4.166 4.598 -0.432 17858 1470 1 4 . 1 1 79 79 LYS CA C 482 56.581 56.581 56.400 0.181 17858 1471 1 4 . 1 1 79 79 LYS CB C 482 33.279 33.279 33.458 -0.179 17858 1472 1 4 . 1 1 79 79 LYS H H 482 8.332 8.332 8.558 -0.226 17858 1473 1 5 . 1 1 2 2 PRO HA H 405 4.356 4.356 4.527 -0.171 17858 1474 1 5 . 1 1 2 2 PRO CA C 405 63.329 63.329 62.738 0.591 17858 1475 1 5 . 1 1 2 2 PRO CB C 405 32.603 32.603 31.135 1.468 17858 1476 1 5 . 1 1 3 3 LEU N N 406 122.497 122.497 125.819 -3.322 17858 1477 1 5 . 1 1 3 3 LEU HA H 406 4.231 4.231 4.501 -0.270 17858 1478 1 5 . 1 1 3 3 LEU CA C 406 55.838 55.838 54.280 1.558 17858 1479 1 5 . 1 1 3 3 LEU CB C 406 42.529 42.529 41.871 0.658 17858 1480 1 5 . 1 1 3 3 LEU H H 406 8.571 8.571 7.855 0.716 17858 1481 1 5 . 1 1 4 4 GLY N N 407 110.132 110.132 110.297 -0.165 17858 1482 1 5 . 1 1 4 4 GLY CA C 407 45.746 45.746 44.985 0.761 17858 1483 1 5 . 1 1 4 4 GLY H H 407 8.504 8.504 8.202 0.302 17858 1484 1 5 . 1 1 5 5 SER N N 408 114.820 114.820 116.600 -1.780 17858 1485 1 5 . 1 1 5 5 SER HA H 408 4.321 4.321 4.613 -0.292 17858 1486 1 5 . 1 1 5 5 SER CA C 408 58.629 58.629 58.300 0.329 17858 1487 1 5 . 1 1 5 5 SER CB C 408 64.171 64.171 64.359 -0.188 17858 1488 1 5 . 1 1 5 5 SER H H 408 8.087 8.087 8.291 -0.204 17858 1489 1 5 . 1 1 6 6 GLU N N 409 122.539 122.539 116.456 6.083 17858 1490 1 5 . 1 1 6 6 GLU HA H 409 4.137 4.137 4.542 -0.405 17858 1491 1 5 . 1 1 6 6 GLU CA C 409 57.076 57.076 56.571 0.505 17858 1492 1 5 . 1 1 6 6 GLU CB C 409 30.420 30.420 30.246 0.174 17858 1493 1 5 . 1 1 6 6 GLU H H 409 8.483 8.483 7.805 0.678 17858 1494 1 5 . 1 1 7 7 LYS N N 410 120.141 120.141 122.260 -2.119 17858 1495 1 5 . 1 1 7 7 LYS HA H 410 4.332 4.332 4.488 -0.156 17858 1496 1 5 . 1 1 7 7 LYS CA C 410 56.279 56.279 56.033 0.246 17858 1497 1 5 . 1 1 7 7 LYS CB C 410 33.875 33.875 33.156 0.719 17858 1498 1 5 . 1 1 7 7 LYS H H 410 7.997 7.997 8.345 -0.348 17858 1499 1 5 . 1 1 8 8 SER N N 411 114.672 114.672 115.080 -0.408 17858 1500 1 5 . 1 1 8 8 SER HA H 411 4.542 4.542 4.509 0.033 17858 1501 1 5 . 1 1 8 8 SER CA C 411 56.092 56.092 56.605 -0.513 17858 1502 1 5 . 1 1 8 8 SER CB C 411 65.009 65.009 64.526 0.483 17858 1503 1 5 . 1 1 8 8 SER H H 411 8.214 8.214 7.708 0.506 17858 1504 1 5 . 1 1 9 9 LEU N N 412 122.535 122.535 125.347 -2.812 17858 1505 1 5 . 1 1 9 9 LEU HA H 412 3.938 3.938 4.235 -0.297 17858 1506 1 5 . 1 1 9 9 LEU CA C 412 55.495 55.495 55.685 -0.190 17858 1507 1 5 . 1 1 9 9 LEU CB C 412 42.864 42.864 42.545 0.319 17858 1508 1 5 . 1 1 9 9 LEU H H 412 8.487 8.487 8.716 -0.229 17858 1509 1 5 . 1 1 10 10 GLU N N 413 121.582 121.582 117.693 3.889 17858 1510 1 5 . 1 1 10 10 GLU HA H 413 3.804 3.804 4.125 -0.321 17858 1511 1 5 . 1 1 10 10 GLU CA C 413 57.749 57.749 57.931 -0.182 17858 1512 1 5 . 1 1 10 10 GLU CB C 413 29.807 29.807 30.207 -0.400 17858 1513 1 5 . 1 1 10 10 GLU H H 413 8.483 8.483 8.183 0.300 17858 1514 1 5 . 1 1 11 11 GLN N N 414 124.052 124.052 118.523 5.529 17858 1515 1 5 . 1 1 11 11 GLN HA H 414 3.768 3.768 4.634 -0.866 17858 1516 1 5 . 1 1 11 11 GLN CA C 414 55.415 55.415 54.628 0.787 17858 1517 1 5 . 1 1 11 11 GLN CB C 414 29.918 29.918 31.031 -1.113 17858 1518 1 5 . 1 1 11 11 GLN H H 414 8.475 8.475 8.489 -0.014 17858 1519 1 5 . 1 1 12 12 CYS N N 415 129.067 129.067 125.035 4.032 17858 1520 1 5 . 1 1 12 12 CYS HA H 415 3.668 3.668 4.263 -0.595 17858 1521 1 5 . 1 1 12 12 CYS CA C 415 61.173 61.173 60.796 0.377 17858 1522 1 5 . 1 1 12 12 CYS CB C 415 30.342 30.342 28.757 1.585 17858 1523 1 5 . 1 1 12 12 CYS H H 415 9.290 9.290 8.412 0.878 17858 1524 1 5 . 1 1 13 13 LYS N N 416 129.282 129.282 122.634 6.648 17858 1525 1 5 . 1 1 13 13 LYS HA H 416 3.814 3.814 4.739 -0.925 17858 1526 1 5 . 1 1 13 13 LYS CA C 416 58.772 58.772 56.745 2.027 17858 1527 1 5 . 1 1 13 13 LYS CB C 416 32.186 32.186 32.370 -0.184 17858 1528 1 5 . 1 1 13 13 LYS H H 416 8.623 8.623 8.836 -0.213 17858 1529 1 5 . 1 1 14 14 PHE N N 417 119.338 119.338 119.255 0.083 17858 1530 1 5 . 1 1 14 14 PHE HA H 417 4.613 4.613 4.566 0.047 17858 1531 1 5 . 1 1 14 14 PHE CA C 417 58.971 58.971 59.356 -0.385 17858 1532 1 5 . 1 1 14 14 PHE CB C 417 39.352 39.352 40.448 -1.096 17858 1533 1 5 . 1 1 14 14 PHE H H 417 8.603 8.603 7.860 0.743 17858 1534 1 5 . 1 1 15 15 GLY N N 418 107.206 107.206 107.419 -0.213 17858 1535 1 5 . 1 1 15 15 GLY CA C 418 47.937 47.937 46.514 1.423 17858 1536 1 5 . 1 1 15 15 GLY H H 418 7.472 7.472 8.629 -1.157 17858 1537 1 5 . 1 1 16 16 THR N N 419 117.234 117.234 117.835 -0.601 17858 1538 1 5 . 1 1 16 16 THR HA H 419 4.002 4.002 4.434 -0.432 17858 1539 1 5 . 1 1 16 16 THR CA C 419 63.842 63.842 62.553 1.289 17858 1540 1 5 . 1 1 16 16 THR CB C 419 68.778 68.778 68.828 -0.049 17858 1541 1 5 . 1 1 16 16 THR H H 419 8.740 8.740 8.602 0.138 17858 1542 1 5 . 1 1 17 17 HIS N N 420 118.028 118.028 121.231 -3.203 17858 1543 1 5 . 1 1 17 17 HIS HA H 420 4.581 4.581 4.816 -0.235 17858 1544 1 5 . 1 1 17 17 HIS CA C 420 55.612 55.612 55.642 -0.029 17858 1545 1 5 . 1 1 17 17 HIS CB C 420 29.751 29.751 30.246 -0.495 17858 1546 1 5 . 1 1 17 17 HIS H H 420 8.059 8.059 7.714 0.345 17858 1547 1 5 . 1 1 18 18 CYS N N 421 122.824 122.824 120.495 2.329 17858 1548 1 5 . 1 1 18 18 CYS HA H 421 3.849 3.849 4.256 -0.407 17858 1549 1 5 . 1 1 18 18 CYS CA C 421 61.733 61.733 59.881 1.852 17858 1550 1 5 . 1 1 18 18 CYS CB C 421 30.570 30.570 26.779 3.791 17858 1551 1 5 . 1 1 18 18 CYS H H 421 7.288 7.288 8.467 -1.179 17858 1552 1 5 . 1 1 19 19 THR N N 422 119.018 119.018 121.380 -2.362 17858 1553 1 5 . 1 1 19 19 THR HA H 422 4.348 4.348 4.391 -0.043 17858 1554 1 5 . 1 1 19 19 THR CA C 422 61.292 61.292 60.759 0.533 17858 1555 1 5 . 1 1 19 19 THR CB C 422 69.612 69.612 68.352 1.260 17858 1556 1 5 . 1 1 19 19 THR H H 422 8.435 8.435 7.985 0.450 17858 1557 1 5 . 1 1 20 20 ASN N N 423 121.923 121.923 119.743 2.180 17858 1558 1 5 . 1 1 20 20 ASN HA H 423 4.690 4.690 4.815 -0.125 17858 1559 1 5 . 1 1 20 20 ASN CA C 423 52.203 52.203 52.382 -0.179 17858 1560 1 5 . 1 1 20 20 ASN CB C 423 38.747 38.747 40.678 -1.931 17858 1561 1 5 . 1 1 20 20 ASN H H 423 7.924 7.924 7.901 0.023 17858 1562 1 5 . 1 1 21 21 LYS N N 424 127.775 127.775 123.048 4.727 17858 1563 1 5 . 1 1 21 21 LYS HA H 424 3.922 3.922 4.103 -0.181 17858 1564 1 5 . 1 1 21 21 LYS CA C 424 58.647 58.647 58.072 0.575 17858 1565 1 5 . 1 1 21 21 LYS CB C 424 32.289 32.289 33.025 -0.736 17858 1566 1 5 . 1 1 21 21 LYS H H 424 9.094 9.094 8.727 0.367 17858 1567 1 5 . 1 1 22 22 ARG N N 425 116.206 116.206 115.228 0.978 17858 1568 1 5 . 1 1 22 22 ARG HA H 425 4.270 4.270 4.533 -0.263 17858 1569 1 5 . 1 1 22 22 ARG CA C 425 54.832 54.832 54.779 0.053 17858 1570 1 5 . 1 1 22 22 ARG CB C 425 29.549 29.549 29.104 0.445 17858 1571 1 5 . 1 1 22 22 ARG H H 425 7.825 7.825 7.729 0.096 17858 1572 1 5 . 1 1 23 23 CYS N N 426 123.387 123.387 121.636 1.751 17858 1573 1 5 . 1 1 23 23 CYS HA H 426 3.867 3.867 4.493 -0.626 17858 1574 1 5 . 1 1 23 23 CYS CA C 426 62.205 62.205 60.538 1.667 17858 1575 1 5 . 1 1 23 23 CYS CB C 426 30.940 30.940 29.023 1.917 17858 1576 1 5 . 1 1 23 23 CYS H H 426 7.273 7.273 8.273 -1.000 17858 1577 1 5 . 1 1 24 24 LYS N N 427 128.443 128.443 128.269 0.174 17858 1578 1 5 . 1 1 24 24 LYS HA H 427 4.299 4.299 4.282 0.017 17858 1579 1 5 . 1 1 24 24 LYS CA C 427 57.047 57.047 55.333 1.714 17858 1580 1 5 . 1 1 24 24 LYS CB C 427 33.275 33.275 31.709 1.566 17858 1581 1 5 . 1 1 24 24 LYS H H 427 8.525 8.525 8.629 -0.104 17858 1582 1 5 . 1 1 25 25 TYR N N 428 123.059 123.059 115.619 7.440 17858 1583 1 5 . 1 1 25 25 TYR HA H 428 4.569 4.569 4.533 0.036 17858 1584 1 5 . 1 1 25 25 TYR CA C 428 58.470 58.470 56.536 1.934 17858 1585 1 5 . 1 1 25 25 TYR CB C 428 39.830 39.830 41.853 -2.023 17858 1586 1 5 . 1 1 25 25 TYR H H 428 8.066 8.066 7.524 0.542 17858 1587 1 5 . 1 1 26 26 ARG N N 429 116.840 116.840 118.656 -1.816 17858 1588 1 5 . 1 1 26 26 ARG HA H 429 4.429 4.429 4.497 -0.068 17858 1589 1 5 . 1 1 26 26 ARG CA C 429 58.979 58.979 55.328 3.651 17858 1590 1 5 . 1 1 26 26 ARG CB C 429 33.073 33.073 31.976 1.097 17858 1591 1 5 . 1 1 26 26 ARG H H 429 8.275 8.275 8.370 -0.095 17858 1592 1 5 . 1 1 27 27 HIS N N 430 117.522 117.522 118.948 -1.426 17858 1593 1 5 . 1 1 27 27 HIS HA H 430 4.553 4.553 4.866 -0.313 17858 1594 1 5 . 1 1 27 27 HIS CA C 430 56.912 56.912 55.124 1.788 17858 1595 1 5 . 1 1 27 27 HIS CB C 430 30.715 30.715 33.813 -3.099 17858 1596 1 5 . 1 1 27 27 HIS H H 430 8.154 8.154 8.773 -0.619 17858 1597 1 5 . 1 1 28 28 ALA N N 431 126.087 126.087 126.787 -0.700 17858 1598 1 5 . 1 1 28 28 ALA HA H 431 4.106 4.106 4.559 -0.453 17858 1599 1 5 . 1 1 28 28 ALA CA C 431 51.833 51.833 51.765 0.068 17858 1600 1 5 . 1 1 28 28 ALA CB C 431 18.291 18.291 19.447 -1.156 17858 1601 1 5 . 1 1 28 28 ALA H H 431 8.061 8.061 8.742 -0.681 17858 1602 1 5 . 1 1 29 29 ARG N N 432 121.538 121.538 123.252 -1.714 17858 1603 1 5 . 1 1 29 29 ARG HA H 432 4.280 4.280 4.554 -0.274 17858 1604 1 5 . 1 1 29 29 ARG CA C 432 55.492 55.492 56.231 -0.739 17858 1605 1 5 . 1 1 29 29 ARG CB C 432 31.353 31.353 30.630 0.723 17858 1606 1 5 . 1 1 29 29 ARG H H 432 8.630 8.630 8.903 -0.273 17858 1607 1 5 . 1 1 30 30 SER N N 433 112.439 112.439 113.659 -1.220 17858 1608 1 5 . 1 1 30 30 SER HA H 433 4.463 4.463 4.483 -0.020 17858 1609 1 5 . 1 1 30 30 SER CA C 433 56.566 56.566 57.303 -0.737 17858 1610 1 5 . 1 1 30 30 SER CB C 433 64.803 64.803 64.311 0.492 17858 1611 1 5 . 1 1 30 30 SER H H 433 7.450 7.450 7.715 -0.265 17858 1612 1 5 . 1 1 31 31 HIS N N 434 121.494 121.494 118.289 3.205 17858 1613 1 5 . 1 1 31 31 HIS HA H 434 4.279 4.279 4.352 -0.073 17858 1614 1 5 . 1 1 31 31 HIS CA C 434 56.955 56.955 55.096 1.859 17858 1615 1 5 . 1 1 31 31 HIS CB C 434 29.834 29.834 28.734 1.100 17858 1616 1 5 . 1 1 31 31 HIS H H 434 8.132 8.132 8.372 -0.240 17858 1617 1 5 . 1 1 32 32 ILE N N 435 123.851 123.851 123.444 0.407 17858 1618 1 5 . 1 1 32 32 ILE HA H 435 3.506 3.506 3.858 -0.352 17858 1619 1 5 . 1 1 32 32 ILE CA C 435 61.345 61.345 59.228 2.117 17858 1620 1 5 . 1 1 32 32 ILE CB C 435 37.765 37.765 36.541 1.224 17858 1621 1 5 . 1 1 32 32 ILE H H 435 7.858 7.858 7.975 -0.117 17858 1622 1 5 . 1 1 33 33 MET N N 436 125.294 125.294 124.590 0.704 17858 1623 1 5 . 1 1 33 33 MET HA H 436 4.050 4.050 4.666 -0.616 17858 1624 1 5 . 1 1 33 33 MET CA C 436 54.733 54.733 56.111 -1.378 17858 1625 1 5 . 1 1 33 33 MET CB C 436 31.934 31.934 33.903 -1.969 17858 1626 1 5 . 1 1 33 33 MET H H 436 8.317 8.317 8.350 -0.033 17858 1627 1 5 . 1 1 34 34 CYS N N 437 127.958 127.958 119.295 8.663 17858 1628 1 5 . 1 1 34 34 CYS HA H 437 3.389 3.389 5.087 -1.698 17858 1629 1 5 . 1 1 34 34 CYS CA C 437 61.544 61.544 58.216 3.328 17858 1630 1 5 . 1 1 34 34 CYS CB C 437 31.325 31.325 29.518 1.807 17858 1631 1 5 . 1 1 34 34 CYS H H 437 9.255 9.255 8.371 0.884 17858 1632 1 5 . 1 1 35 35 ARG N N 438 131.582 131.582 126.842 4.740 17858 1633 1 5 . 1 1 35 35 ARG HA H 438 3.887 3.887 4.165 -0.278 17858 1634 1 5 . 1 1 35 35 ARG CA C 438 59.466 59.466 58.888 0.578 17858 1635 1 5 . 1 1 35 35 ARG CB C 438 30.251 30.251 30.046 0.205 17858 1636 1 5 . 1 1 35 35 ARG H H 438 8.645 8.645 9.211 -0.566 17858 1637 1 5 . 1 1 36 36 GLU N N 439 117.530 117.530 117.957 -0.427 17858 1638 1 5 . 1 1 36 36 GLU HA H 439 4.284 4.284 4.430 -0.146 17858 1639 1 5 . 1 1 36 36 GLU CA C 439 57.440 57.440 55.995 1.445 17858 1640 1 5 . 1 1 36 36 GLU CB C 439 30.295 30.295 29.559 0.736 17858 1641 1 5 . 1 1 36 36 GLU H H 439 8.302 8.302 8.028 0.274 17858 1642 1 5 . 1 1 37 37 GLY N N 440 107.589 107.589 108.864 -1.275 17858 1643 1 5 . 1 1 37 37 GLY CA C 440 47.353 47.353 45.806 1.546 17858 1644 1 5 . 1 1 37 37 GLY H H 440 7.518 7.518 8.202 -0.684 17858 1645 1 5 . 1 1 38 38 ALA N N 441 126.673 126.673 125.519 1.154 17858 1646 1 5 . 1 1 38 38 ALA HA H 441 4.180 4.180 4.294 -0.114 17858 1647 1 5 . 1 1 38 38 ALA CA C 441 53.717 53.717 53.048 0.669 17858 1648 1 5 . 1 1 38 38 ALA CB C 441 19.127 19.127 18.385 0.742 17858 1649 1 5 . 1 1 38 38 ALA H H 441 9.114 9.114 8.584 0.530 17858 1650 1 5 . 1 1 39 39 ASN N N 442 113.951 113.951 115.476 -1.525 17858 1651 1 5 . 1 1 39 39 ASN HA H 442 4.655 4.655 4.739 -0.084 17858 1652 1 5 . 1 1 39 39 ASN CA C 442 52.940 52.940 53.390 -0.450 17858 1653 1 5 . 1 1 39 39 ASN CB C 442 39.264 39.264 39.327 -0.063 17858 1654 1 5 . 1 1 39 39 ASN H H 442 8.072 8.072 7.721 0.351 17858 1655 1 5 . 1 1 40 40 CYS N N 443 122.245 122.245 120.365 1.880 17858 1656 1 5 . 1 1 40 40 CYS HA H 443 4.070 4.070 4.217 -0.147 17858 1657 1 5 . 1 1 40 40 CYS CA C 443 60.661 60.661 60.078 0.583 17858 1658 1 5 . 1 1 40 40 CYS CB C 443 31.037 31.037 27.962 3.075 17858 1659 1 5 . 1 1 40 40 CYS H H 443 7.237 7.237 7.321 -0.084 17858 1660 1 5 . 1 1 41 41 THR N N 444 120.684 120.684 116.833 3.851 17858 1661 1 5 . 1 1 41 41 THR HA H 444 4.411 4.411 4.357 0.054 17858 1662 1 5 . 1 1 41 41 THR CA C 444 61.110 61.110 61.446 -0.336 17858 1663 1 5 . 1 1 41 41 THR CB C 444 68.937 68.937 68.616 0.321 17858 1664 1 5 . 1 1 41 41 THR H H 444 9.033 9.033 8.356 0.677 17858 1665 1 5 . 1 1 42 42 ARG N N 445 123.977 123.977 121.022 2.955 17858 1666 1 5 . 1 1 42 42 ARG HA H 445 4.329 4.329 4.429 -0.100 17858 1667 1 5 . 1 1 42 42 ARG CA C 445 56.416 56.416 55.378 1.038 17858 1668 1 5 . 1 1 42 42 ARG CB C 445 30.604 30.604 32.840 -2.236 17858 1669 1 5 . 1 1 42 42 ARG H H 445 7.927 7.927 7.480 0.447 17858 1670 1 5 . 1 1 43 43 ILE N N 446 132.203 132.203 121.400 10.803 17858 1671 1 5 . 1 1 43 43 ILE HA H 446 3.609 3.609 4.185 -0.576 17858 1672 1 5 . 1 1 43 43 ILE CA C 446 63.023 63.023 61.937 1.086 17858 1673 1 5 . 1 1 43 43 ILE CB C 446 38.463 38.463 38.717 -0.254 17858 1674 1 5 . 1 1 43 43 ILE H H 446 9.010 9.010 8.396 0.614 17858 1675 1 5 . 1 1 44 44 ASP N N 447 116.309 116.309 119.796 -3.487 17858 1676 1 5 . 1 1 44 44 ASP HA H 447 4.555 4.555 4.879 -0.324 17858 1677 1 5 . 1 1 44 44 ASP CA C 447 52.727 52.727 53.346 -0.619 17858 1678 1 5 . 1 1 44 44 ASP CB C 447 40.177 40.177 39.790 0.387 17858 1679 1 5 . 1 1 44 44 ASP H H 447 8.191 8.191 8.092 0.099 17858 1680 1 5 . 1 1 45 45 CYS N N 448 121.173 121.173 119.279 1.894 17858 1681 1 5 . 1 1 45 45 CYS HA H 448 3.913 3.913 4.447 -0.534 17858 1682 1 5 . 1 1 45 45 CYS CA C 448 62.082 62.082 58.549 3.533 17858 1683 1 5 . 1 1 45 45 CYS CB C 448 31.510 31.510 27.983 3.527 17858 1684 1 5 . 1 1 45 45 CYS H H 448 7.113 7.113 7.912 -0.799 17858 1685 1 5 . 1 1 46 46 LEU N N 449 128.150 128.150 127.592 0.558 17858 1686 1 5 . 1 1 46 46 LEU HA H 449 4.657 4.657 4.744 -0.087 17858 1687 1 5 . 1 1 46 46 LEU CA C 449 55.144 55.144 54.055 1.089 17858 1688 1 5 . 1 1 46 46 LEU CB C 449 43.004 43.004 41.251 1.753 17858 1689 1 5 . 1 1 46 46 LEU H H 449 8.451 8.451 8.479 -0.028 17858 1690 1 5 . 1 1 47 47 PHE N N 450 120.646 120.646 119.536 1.110 17858 1691 1 5 . 1 1 47 47 PHE HA H 450 4.527 4.527 4.858 -0.331 17858 1692 1 5 . 1 1 47 47 PHE CA C 450 58.198 58.198 54.617 3.581 17858 1693 1 5 . 1 1 47 47 PHE CB C 450 39.901 39.901 40.977 -1.077 17858 1694 1 5 . 1 1 47 47 PHE H H 450 8.390 8.390 7.235 1.155 17858 1695 1 5 . 1 1 48 48 GLY N N 451 104.118 104.118 108.973 -4.855 17858 1696 1 5 . 1 1 48 48 GLY CA C 451 47.675 47.675 44.763 2.912 17858 1697 1 5 . 1 1 48 48 GLY H H 451 8.643 8.643 8.272 0.371 17858 1698 1 5 . 1 1 49 49 HIS N N 452 119.710 119.710 123.910 -4.200 17858 1699 1 5 . 1 1 49 49 HIS HA H 452 4.725 4.725 4.836 -0.111 17858 1700 1 5 . 1 1 49 49 HIS CA C 452 54.408 54.408 52.562 1.846 17858 1701 1 5 . 1 1 49 49 HIS CB C 452 29.515 29.515 32.116 -2.601 17858 1702 1 5 . 1 1 49 49 HIS H H 452 6.951 6.951 8.179 -1.228 17858 1703 1 5 . 1 1 50 50 PRO HA H 453 4.291 4.291 4.417 -0.126 17858 1704 1 5 . 1 1 50 50 PRO CA C 453 63.872 63.872 63.121 0.751 17858 1705 1 5 . 1 1 50 50 PRO CB C 453 32.724 32.724 32.750 -0.026 17858 1706 1 5 . 1 1 51 51 ILE N N 454 122.942 122.942 117.638 5.304 17858 1707 1 5 . 1 1 51 51 ILE HA H 454 3.787 3.787 4.320 -0.533 17858 1708 1 5 . 1 1 51 51 ILE CA C 454 61.010 61.010 60.512 0.498 17858 1709 1 5 . 1 1 51 51 ILE CB C 454 40.204 40.204 42.908 -2.704 17858 1710 1 5 . 1 1 51 51 ILE H H 454 8.189 8.189 7.911 0.278 17858 1711 1 5 . 1 1 52 52 ASN N N 455 128.496 128.496 125.322 3.174 17858 1712 1 5 . 1 1 52 52 ASN HA H 455 4.641 4.641 4.725 -0.084 17858 1713 1 5 . 1 1 52 52 ASN CA C 455 52.832 52.832 53.944 -1.113 17858 1714 1 5 . 1 1 52 52 ASN CB C 455 36.969 36.969 38.263 -1.294 17858 1715 1 5 . 1 1 52 52 ASN H H 455 8.791 8.791 8.711 0.080 17858 1716 1 5 . 1 1 53 53 GLU N N 456 120.059 120.059 123.840 -3.781 17858 1717 1 5 . 1 1 53 53 GLU HA H 456 4.318 4.318 4.536 -0.218 17858 1718 1 5 . 1 1 53 53 GLU CA C 456 55.588 55.588 55.145 0.443 17858 1719 1 5 . 1 1 53 53 GLU CB C 456 33.826 33.826 33.724 0.102 17858 1720 1 5 . 1 1 53 53 GLU H H 456 8.177 8.177 8.110 0.067 17858 1721 1 5 . 1 1 54 54 ASP N N 457 124.404 124.404 123.193 1.211 17858 1722 1 5 . 1 1 54 54 ASP HA H 457 4.446 4.446 5.171 -0.725 17858 1723 1 5 . 1 1 54 54 ASP CA C 457 55.594 55.594 53.693 1.901 17858 1724 1 5 . 1 1 54 54 ASP CB C 457 41.033 41.033 41.256 -0.223 17858 1725 1 5 . 1 1 54 54 ASP H H 457 8.923 8.923 8.449 0.474 17858 1726 1 5 . 1 1 55 55 CYS N N 458 125.765 125.765 123.536 2.229 17858 1727 1 5 . 1 1 55 55 CYS HA H 458 3.360 3.360 4.274 -0.914 17858 1728 1 5 . 1 1 55 55 CYS CA C 458 61.284 61.284 59.757 1.527 17858 1729 1 5 . 1 1 55 55 CYS CB C 458 31.125 31.125 28.772 2.353 17858 1730 1 5 . 1 1 55 55 CYS H H 458 9.113 9.113 8.067 1.046 17858 1731 1 5 . 1 1 56 56 ARG N N 459 130.790 130.790 123.396 7.394 17858 1732 1 5 . 1 1 56 56 ARG HA H 459 3.875 3.875 4.160 -0.285 17858 1733 1 5 . 1 1 56 56 ARG CA C 459 58.610 58.610 57.922 0.688 17858 1734 1 5 . 1 1 56 56 ARG CB C 459 29.566 29.566 29.743 -0.177 17858 1735 1 5 . 1 1 56 56 ARG H H 459 8.601 8.601 8.666 -0.065 17858 1736 1 5 . 1 1 57 57 PHE N N 460 119.175 119.175 118.630 0.545 17858 1737 1 5 . 1 1 57 57 PHE HA H 460 4.560 4.560 4.409 0.151 17858 1738 1 5 . 1 1 57 57 PHE CA C 460 58.367 58.367 59.093 -0.726 17858 1739 1 5 . 1 1 57 57 PHE CB C 460 39.049 39.049 39.953 -0.904 17858 1740 1 5 . 1 1 57 57 PHE H H 460 8.589 8.589 7.785 0.804 17858 1741 1 5 . 1 1 58 58 GLY N N 461 107.317 107.317 106.392 0.925 17858 1742 1 5 . 1 1 58 58 GLY CA C 461 47.253 47.253 45.319 1.935 17858 1743 1 5 . 1 1 58 58 GLY H H 461 7.386 7.386 8.490 -1.104 17858 1744 1 5 . 1 1 59 59 VAL N N 462 120.829 120.829 118.082 2.747 17858 1745 1 5 . 1 1 59 59 VAL HA H 462 3.674 3.674 4.303 -0.629 17858 1746 1 5 . 1 1 59 59 VAL CA C 462 64.142 64.142 62.795 1.347 17858 1747 1 5 . 1 1 59 59 VAL CB C 462 32.275 32.275 31.943 0.332 17858 1748 1 5 . 1 1 59 59 VAL H H 462 8.881 8.881 8.279 0.602 17858 1749 1 5 . 1 1 60 60 ASN N N 463 114.923 114.923 117.775 -2.852 17858 1750 1 5 . 1 1 60 60 ASN HA H 463 4.667 4.667 4.704 -0.037 17858 1751 1 5 . 1 1 60 60 ASN CA C 463 53.316 53.316 53.783 -0.467 17858 1752 1 5 . 1 1 60 60 ASN CB C 463 39.355 39.355 38.809 0.545 17858 1753 1 5 . 1 1 60 60 ASN H H 463 7.819 7.819 8.255 -0.436 17858 1754 1 5 . 1 1 61 61 CYS N N 464 121.670 121.670 120.922 0.748 17858 1755 1 5 . 1 1 61 61 CYS HA H 464 3.770 3.770 3.845 -0.075 17858 1756 1 5 . 1 1 61 61 CYS CA C 464 61.725 61.725 59.966 1.759 17858 1757 1 5 . 1 1 61 61 CYS CB C 464 30.891 30.891 26.563 4.328 17858 1758 1 5 . 1 1 61 61 CYS H H 464 7.049 7.049 8.146 -1.097 17858 1759 1 5 . 1 1 62 62 LYS N N 465 131.072 131.072 126.141 4.931 17858 1760 1 5 . 1 1 62 62 LYS HA H 465 4.312 4.312 4.388 -0.076 17858 1761 1 5 . 1 1 62 62 LYS CA C 465 55.230 55.230 55.678 -0.448 17858 1762 1 5 . 1 1 62 62 LYS CB C 465 32.794 32.794 32.152 0.642 17858 1763 1 5 . 1 1 62 62 LYS H H 465 8.836 8.836 8.278 0.558 17858 1764 1 5 . 1 1 63 63 ASN N N 466 119.130 119.130 117.193 1.937 17858 1765 1 5 . 1 1 63 63 ASN HA H 466 4.596 4.596 4.512 0.084 17858 1766 1 5 . 1 1 63 63 ASN CA C 466 52.210 52.210 51.739 0.471 17858 1767 1 5 . 1 1 63 63 ASN CB C 466 38.827 38.827 39.713 -0.886 17858 1768 1 5 . 1 1 63 63 ASN H H 466 7.660 7.660 7.536 0.124 17858 1769 1 5 . 1 1 64 64 ILE N N 467 125.111 125.111 119.106 6.005 17858 1770 1 5 . 1 1 64 64 ILE HA H 467 3.539 3.539 4.197 -0.658 17858 1771 1 5 . 1 1 64 64 ILE CA C 467 64.493 64.493 61.673 2.820 17858 1772 1 5 . 1 1 64 64 ILE CB C 467 38.068 38.068 37.558 0.510 17858 1773 1 5 . 1 1 64 64 ILE H H 467 8.475 8.475 7.818 0.657 17858 1774 1 5 . 1 1 65 65 TYR N N 468 118.920 118.920 116.104 2.816 17858 1775 1 5 . 1 1 65 65 TYR HA H 468 4.538 4.538 4.664 -0.126 17858 1776 1 5 . 1 1 65 65 TYR CA C 468 57.003 57.003 55.109 1.894 17858 1777 1 5 . 1 1 65 65 TYR CB C 468 37.716 37.716 36.593 1.123 17858 1778 1 5 . 1 1 65 65 TYR H H 468 7.462 7.462 7.031 0.431 17858 1779 1 5 . 1 1 66 66 CYS N N 469 122.658 122.658 121.165 1.493 17858 1780 1 5 . 1 1 66 66 CYS HA H 469 4.009 4.009 4.577 -0.568 17858 1781 1 5 . 1 1 66 66 CYS CA C 469 62.039 62.039 58.138 3.901 17858 1782 1 5 . 1 1 66 66 CYS CB C 469 31.455 31.455 28.234 3.221 17858 1783 1 5 . 1 1 66 66 CYS H H 469 7.305 7.305 8.233 -0.928 17858 1784 1 5 . 1 1 67 67 LEU N N 470 130.238 130.238 127.074 3.164 17858 1785 1 5 . 1 1 67 67 LEU HA H 470 4.353 4.353 4.446 -0.093 17858 1786 1 5 . 1 1 67 67 LEU CA C 470 55.947 55.947 54.512 1.435 17858 1787 1 5 . 1 1 67 67 LEU CB C 470 42.125 42.125 41.395 0.730 17858 1788 1 5 . 1 1 67 67 LEU H H 470 9.002 9.002 8.305 0.697 17858 1789 1 5 . 1 1 68 68 PHE N N 471 120.946 120.946 117.052 3.894 17858 1790 1 5 . 1 1 68 68 PHE HA H 471 4.576 4.576 4.573 0.003 17858 1791 1 5 . 1 1 68 68 PHE CA C 471 59.242 59.242 55.613 3.629 17858 1792 1 5 . 1 1 68 68 PHE CB C 471 39.865 39.865 40.414 -0.549 17858 1793 1 5 . 1 1 68 68 PHE H H 471 8.519 8.519 6.999 1.520 17858 1794 1 5 . 1 1 69 69 ARG N N 472 116.975 116.975 120.716 -3.741 17858 1795 1 5 . 1 1 69 69 ARG HA H 472 4.331 4.331 4.366 -0.035 17858 1796 1 5 . 1 1 69 69 ARG CA C 472 56.933 56.933 54.152 2.781 17858 1797 1 5 . 1 1 69 69 ARG CB C 472 31.822 31.822 31.891 -0.069 17858 1798 1 5 . 1 1 69 69 ARG H H 472 8.417 8.417 8.922 -0.505 17858 1799 1 5 . 1 1 70 70 HIS N N 473 118.809 118.809 122.397 -3.588 17858 1800 1 5 . 1 1 70 70 HIS HA H 473 4.991 4.991 4.856 0.135 17858 1801 1 5 . 1 1 70 70 HIS CA C 473 55.311 55.311 53.557 1.754 17858 1802 1 5 . 1 1 70 70 HIS CB C 473 30.613 30.613 30.762 -0.149 17858 1803 1 5 . 1 1 70 70 HIS H H 473 8.499 8.499 8.399 0.100 17858 1804 1 5 . 1 1 71 71 PRO HA H 474 4.742 4.742 4.591 0.151 17858 1805 1 5 . 1 1 71 71 PRO CA C 474 61.250 61.250 61.993 -0.743 17858 1806 1 5 . 1 1 71 71 PRO CB C 474 30.743 30.743 31.262 -0.519 17858 1807 1 5 . 1 1 72 72 PRO HA H 475 4.279 4.279 4.388 -0.109 17858 1808 1 5 . 1 1 72 72 PRO CA C 475 63.941 63.941 63.419 0.522 17858 1809 1 5 . 1 1 72 72 PRO CB C 475 32.122 32.122 31.487 0.635 17858 1810 1 5 . 1 1 73 73 GLY N N 476 106.525 106.525 111.921 -5.396 17858 1811 1 5 . 1 1 73 73 GLY CA C 476 45.142 45.142 44.836 0.306 17858 1812 1 5 . 1 1 73 73 GLY H H 476 8.359 8.359 8.811 -0.452 17858 1813 1 5 . 1 1 74 74 ARG N N 477 121.516 121.516 119.285 2.231 17858 1814 1 5 . 1 1 74 74 ARG HA H 477 4.223 4.223 4.467 -0.244 17858 1815 1 5 . 1 1 74 74 ARG CA C 477 57.021 57.021 55.549 1.472 17858 1816 1 5 . 1 1 74 74 ARG CB C 477 31.388 31.388 31.516 -0.128 17858 1817 1 5 . 1 1 74 74 ARG H H 477 7.255 7.255 7.751 -0.496 17858 1818 1 5 . 1 1 75 75 VAL N N 478 128.411 128.411 117.849 10.562 17858 1819 1 5 . 1 1 75 75 VAL HA H 478 4.054 4.054 4.234 -0.180 17858 1820 1 5 . 1 1 75 75 VAL CA C 478 61.925 61.925 61.876 0.049 17858 1821 1 5 . 1 1 75 75 VAL CB C 478 33.788 33.788 33.699 0.089 17858 1822 1 5 . 1 1 75 75 VAL H H 478 8.569 8.569 8.274 0.295 17858 1823 1 5 . 1 1 76 76 LEU N N 479 127.195 127.195 122.868 4.327 17858 1824 1 5 . 1 1 76 76 LEU HA H 479 4.462 4.462 4.812 -0.350 17858 1825 1 5 . 1 1 76 76 LEU CA C 479 52.474 52.474 52.509 -0.035 17858 1826 1 5 . 1 1 76 76 LEU CB C 479 42.068 42.068 44.529 -2.461 17858 1827 1 5 . 1 1 76 76 LEU H H 479 8.338 8.338 8.334 0.004 17858 1828 1 5 . 1 1 77 77 PRO HA H 480 4.251 4.251 4.464 -0.213 17858 1829 1 5 . 1 1 77 77 PRO CA C 480 63.072 63.072 62.827 0.245 17858 1830 1 5 . 1 1 77 77 PRO CB C 480 32.313 32.313 32.079 0.234 17858 1831 1 5 . 1 1 78 78 GLU N N 481 120.828 120.828 122.229 -1.401 17858 1832 1 5 . 1 1 78 78 GLU HA H 481 4.089 4.089 4.479 -0.390 17858 1833 1 5 . 1 1 78 78 GLU CA C 481 56.521 56.521 55.767 0.754 17858 1834 1 5 . 1 1 78 78 GLU CB C 481 31.032 31.032 31.276 -0.244 17858 1835 1 5 . 1 1 78 78 GLU H H 481 8.328 8.328 8.443 -0.115 17858 1836 1 5 . 1 1 79 79 LYS N N 482 123.778 123.778 123.437 0.341 17858 1837 1 5 . 1 1 79 79 LYS HA H 482 4.166 4.166 4.564 -0.398 17858 1838 1 5 . 1 1 79 79 LYS CA C 482 56.581 56.581 56.494 0.087 17858 1839 1 5 . 1 1 79 79 LYS CB C 482 33.279 33.279 33.157 0.121 17858 1840 1 5 . 1 1 79 79 LYS H H 482 8.332 8.332 8.597 -0.265 17858 1841 1 6 . 1 1 2 2 PRO HA H 405 4.356 4.356 4.514 -0.158 17858 1842 1 6 . 1 1 2 2 PRO CA C 405 63.329 63.329 62.648 0.681 17858 1843 1 6 . 1 1 2 2 PRO CB C 405 32.603 32.603 31.673 0.930 17858 1844 1 6 . 1 1 3 3 LEU N N 406 122.497 122.497 122.643 -0.146 17858 1845 1 6 . 1 1 3 3 LEU HA H 406 4.231 4.231 3.949 0.282 17858 1846 1 6 . 1 1 3 3 LEU CA C 406 55.838 55.838 55.166 0.672 17858 1847 1 6 . 1 1 3 3 LEU CB C 406 42.529 42.529 40.591 1.938 17858 1848 1 6 . 1 1 3 3 LEU H H 406 8.571 8.571 8.563 0.008 17858 1849 1 6 . 1 1 4 4 GLY N N 407 110.132 110.132 104.466 5.666 17858 1850 1 6 . 1 1 4 4 GLY CA C 407 45.746 45.746 44.653 1.093 17858 1851 1 6 . 1 1 4 4 GLY H H 407 8.504 8.504 7.657 0.847 17858 1852 1 6 . 1 1 5 5 SER N N 408 114.820 114.820 119.350 -4.530 17858 1853 1 6 . 1 1 5 5 SER HA H 408 4.321 4.321 4.626 -0.305 17858 1854 1 6 . 1 1 5 5 SER CA C 408 58.629 58.629 58.214 0.415 17858 1855 1 6 . 1 1 5 5 SER CB C 408 64.171 64.171 64.203 -0.032 17858 1856 1 6 . 1 1 5 5 SER H H 408 8.087 8.087 8.580 -0.493 17858 1857 1 6 . 1 1 6 6 GLU N N 409 122.539 122.539 122.272 0.267 17858 1858 1 6 . 1 1 6 6 GLU HA H 409 4.137 4.137 4.496 -0.359 17858 1859 1 6 . 1 1 6 6 GLU CA C 409 57.076 57.076 56.545 0.531 17858 1860 1 6 . 1 1 6 6 GLU CB C 409 30.420 30.420 30.515 -0.095 17858 1861 1 6 . 1 1 6 6 GLU H H 409 8.483 8.483 8.290 0.193 17858 1862 1 6 . 1 1 7 7 LYS N N 410 120.141 120.141 122.017 -1.876 17858 1863 1 6 . 1 1 7 7 LYS HA H 410 4.332 4.332 4.489 -0.157 17858 1864 1 6 . 1 1 7 7 LYS CA C 410 56.279 56.279 55.980 0.299 17858 1865 1 6 . 1 1 7 7 LYS CB C 410 33.875 33.875 32.682 1.193 17858 1866 1 6 . 1 1 7 7 LYS H H 410 7.997 7.997 8.245 -0.248 17858 1867 1 6 . 1 1 8 8 SER N N 411 114.672 114.672 115.359 -0.687 17858 1868 1 6 . 1 1 8 8 SER HA H 411 4.542 4.542 4.511 0.031 17858 1869 1 6 . 1 1 8 8 SER CA C 411 56.092 56.092 56.808 -0.716 17858 1870 1 6 . 1 1 8 8 SER CB C 411 65.009 65.009 63.896 1.113 17858 1871 1 6 . 1 1 8 8 SER H H 411 8.214 8.214 7.800 0.414 17858 1872 1 6 . 1 1 9 9 LEU N N 412 122.535 122.535 127.304 -4.769 17858 1873 1 6 . 1 1 9 9 LEU HA H 412 3.938 3.938 4.041 -0.103 17858 1874 1 6 . 1 1 9 9 LEU CA C 412 55.495 55.495 55.959 -0.464 17858 1875 1 6 . 1 1 9 9 LEU CB C 412 42.864 42.864 42.247 0.617 17858 1876 1 6 . 1 1 9 9 LEU H H 412 8.487 8.487 8.811 -0.324 17858 1877 1 6 . 1 1 10 10 GLU N N 413 121.582 121.582 116.736 4.846 17858 1878 1 6 . 1 1 10 10 GLU HA H 413 3.804 3.804 3.995 -0.191 17858 1879 1 6 . 1 1 10 10 GLU CA C 413 57.749 57.749 57.763 -0.014 17858 1880 1 6 . 1 1 10 10 GLU CB C 413 29.807 29.807 30.510 -0.703 17858 1881 1 6 . 1 1 10 10 GLU H H 413 8.483 8.483 7.820 0.663 17858 1882 1 6 . 1 1 11 11 GLN N N 414 124.052 124.052 117.815 6.237 17858 1883 1 6 . 1 1 11 11 GLN HA H 414 3.768 3.768 4.634 -0.866 17858 1884 1 6 . 1 1 11 11 GLN CA C 414 55.415 55.415 54.858 0.557 17858 1885 1 6 . 1 1 11 11 GLN CB C 414 29.918 29.918 31.727 -1.810 17858 1886 1 6 . 1 1 11 11 GLN H H 414 8.475 8.475 8.348 0.127 17858 1887 1 6 . 1 1 12 12 CYS N N 415 129.067 129.067 123.841 5.226 17858 1888 1 6 . 1 1 12 12 CYS HA H 415 3.668 3.668 4.177 -0.509 17858 1889 1 6 . 1 1 12 12 CYS CA C 415 61.173 61.173 60.735 0.438 17858 1890 1 6 . 1 1 12 12 CYS CB C 415 30.342 30.342 28.419 1.923 17858 1891 1 6 . 1 1 12 12 CYS H H 415 9.290 9.290 8.353 0.937 17858 1892 1 6 . 1 1 13 13 LYS N N 416 129.282 129.282 121.063 8.219 17858 1893 1 6 . 1 1 13 13 LYS HA H 416 3.814 3.814 4.669 -0.855 17858 1894 1 6 . 1 1 13 13 LYS CA C 416 58.772 58.772 56.984 1.788 17858 1895 1 6 . 1 1 13 13 LYS CB C 416 32.186 32.186 31.984 0.202 17858 1896 1 6 . 1 1 13 13 LYS H H 416 8.623 8.623 8.783 -0.160 17858 1897 1 6 . 1 1 14 14 PHE N N 417 119.338 119.338 118.437 0.901 17858 1898 1 6 . 1 1 14 14 PHE HA H 417 4.613 4.613 4.589 0.024 17858 1899 1 6 . 1 1 14 14 PHE CA C 417 58.971 58.971 58.372 0.599 17858 1900 1 6 . 1 1 14 14 PHE CB C 417 39.352 39.352 40.408 -1.056 17858 1901 1 6 . 1 1 14 14 PHE H H 417 8.603 8.603 7.639 0.964 17858 1902 1 6 . 1 1 15 15 GLY N N 418 107.206 107.206 109.374 -2.168 17858 1903 1 6 . 1 1 15 15 GLY CA C 418 47.937 47.937 46.377 1.560 17858 1904 1 6 . 1 1 15 15 GLY H H 418 7.472 7.472 8.472 -1.000 17858 1905 1 6 . 1 1 16 16 THR N N 419 117.234 117.234 116.485 0.749 17858 1906 1 6 . 1 1 16 16 THR HA H 419 4.002 4.002 4.533 -0.531 17858 1907 1 6 . 1 1 16 16 THR CA C 419 63.842 63.842 61.640 2.202 17858 1908 1 6 . 1 1 16 16 THR CB C 419 68.778 68.778 68.465 0.313 17858 1909 1 6 . 1 1 16 16 THR H H 419 8.740 8.740 8.428 0.312 17858 1910 1 6 . 1 1 17 17 HIS N N 420 118.028 118.028 120.857 -2.829 17858 1911 1 6 . 1 1 17 17 HIS HA H 420 4.581 4.581 4.536 0.045 17858 1912 1 6 . 1 1 17 17 HIS CA C 420 55.612 55.612 56.615 -1.003 17858 1913 1 6 . 1 1 17 17 HIS CB C 420 29.751 29.751 30.688 -0.937 17858 1914 1 6 . 1 1 17 17 HIS H H 420 8.059 8.059 7.941 0.118 17858 1915 1 6 . 1 1 18 18 CYS N N 421 122.824 122.824 120.733 2.091 17858 1916 1 6 . 1 1 18 18 CYS HA H 421 3.849 3.849 4.568 -0.719 17858 1917 1 6 . 1 1 18 18 CYS CA C 421 61.733 61.733 58.786 2.947 17858 1918 1 6 . 1 1 18 18 CYS CB C 421 30.570 30.570 26.531 4.039 17858 1919 1 6 . 1 1 18 18 CYS H H 421 7.288 7.288 8.517 -1.229 17858 1920 1 6 . 1 1 19 19 THR N N 422 119.018 119.018 121.662 -2.644 17858 1921 1 6 . 1 1 19 19 THR HA H 422 4.348 4.348 4.436 -0.088 17858 1922 1 6 . 1 1 19 19 THR CA C 422 61.292 61.292 61.225 0.067 17858 1923 1 6 . 1 1 19 19 THR CB C 422 69.612 69.612 68.336 1.276 17858 1924 1 6 . 1 1 19 19 THR H H 422 8.435 8.435 8.252 0.183 17858 1925 1 6 . 1 1 20 20 ASN N N 423 121.923 121.923 120.213 1.710 17858 1926 1 6 . 1 1 20 20 ASN HA H 423 4.690 4.690 4.840 -0.150 17858 1927 1 6 . 1 1 20 20 ASN CA C 423 52.203 52.203 52.443 -0.240 17858 1928 1 6 . 1 1 20 20 ASN CB C 423 38.747 38.747 40.813 -2.066 17858 1929 1 6 . 1 1 20 20 ASN H H 423 7.924 7.924 7.938 -0.014 17858 1930 1 6 . 1 1 21 21 LYS N N 424 127.775 127.775 122.661 5.114 17858 1931 1 6 . 1 1 21 21 LYS HA H 424 3.922 3.922 4.131 -0.209 17858 1932 1 6 . 1 1 21 21 LYS CA C 424 58.647 58.647 57.350 1.297 17858 1933 1 6 . 1 1 21 21 LYS CB C 424 32.289 32.289 32.980 -0.690 17858 1934 1 6 . 1 1 21 21 LYS H H 424 9.094 9.094 8.713 0.381 17858 1935 1 6 . 1 1 22 22 ARG N N 425 116.206 116.206 115.378 0.828 17858 1936 1 6 . 1 1 22 22 ARG HA H 425 4.270 4.270 4.517 -0.247 17858 1937 1 6 . 1 1 22 22 ARG CA C 425 54.832 54.832 54.777 0.055 17858 1938 1 6 . 1 1 22 22 ARG CB C 425 29.549 29.549 29.023 0.526 17858 1939 1 6 . 1 1 22 22 ARG H H 425 7.825 7.825 7.818 0.007 17858 1940 1 6 . 1 1 23 23 CYS N N 426 123.387 123.387 121.473 1.914 17858 1941 1 6 . 1 1 23 23 CYS HA H 426 3.867 3.867 4.515 -0.648 17858 1942 1 6 . 1 1 23 23 CYS CA C 426 62.205 62.205 60.556 1.649 17858 1943 1 6 . 1 1 23 23 CYS CB C 426 30.940 30.940 28.957 1.983 17858 1944 1 6 . 1 1 23 23 CYS H H 426 7.273 7.273 8.310 -1.037 17858 1945 1 6 . 1 1 24 24 LYS N N 427 128.443 128.443 127.565 0.878 17858 1946 1 6 . 1 1 24 24 LYS HA H 427 4.299 4.299 4.259 0.040 17858 1947 1 6 . 1 1 24 24 LYS CA C 427 57.047 57.047 55.757 1.290 17858 1948 1 6 . 1 1 24 24 LYS CB C 427 33.275 33.275 31.258 2.017 17858 1949 1 6 . 1 1 24 24 LYS H H 427 8.525 8.525 8.498 0.027 17858 1950 1 6 . 1 1 25 25 TYR N N 428 123.059 123.059 115.092 7.967 17858 1951 1 6 . 1 1 25 25 TYR HA H 428 4.569 4.569 4.681 -0.112 17858 1952 1 6 . 1 1 25 25 TYR CA C 428 58.470 58.470 56.528 1.942 17858 1953 1 6 . 1 1 25 25 TYR CB C 428 39.830 39.830 41.851 -2.021 17858 1954 1 6 . 1 1 25 25 TYR H H 428 8.066 8.066 7.462 0.604 17858 1955 1 6 . 1 1 26 26 ARG N N 429 116.840 116.840 117.672 -0.832 17858 1956 1 6 . 1 1 26 26 ARG HA H 429 4.429 4.429 4.524 -0.095 17858 1957 1 6 . 1 1 26 26 ARG CA C 429 58.979 58.979 55.069 3.910 17858 1958 1 6 . 1 1 26 26 ARG CB C 429 33.073 33.073 32.011 1.062 17858 1959 1 6 . 1 1 26 26 ARG H H 429 8.275 8.275 8.264 0.011 17858 1960 1 6 . 1 1 27 27 HIS N N 430 117.522 117.522 118.504 -0.982 17858 1961 1 6 . 1 1 27 27 HIS HA H 430 4.553 4.553 4.892 -0.339 17858 1962 1 6 . 1 1 27 27 HIS CA C 430 56.912 56.912 55.238 1.674 17858 1963 1 6 . 1 1 27 27 HIS CB C 430 30.715 30.715 33.761 -3.046 17858 1964 1 6 . 1 1 27 27 HIS H H 430 8.154 8.154 8.755 -0.601 17858 1965 1 6 . 1 1 28 28 ALA N N 431 126.087 126.087 126.670 -0.583 17858 1966 1 6 . 1 1 28 28 ALA HA H 431 4.106 4.106 4.597 -0.491 17858 1967 1 6 . 1 1 28 28 ALA CA C 431 51.833 51.833 51.780 0.053 17858 1968 1 6 . 1 1 28 28 ALA CB C 431 18.291 18.291 19.659 -1.368 17858 1969 1 6 . 1 1 28 28 ALA H H 431 8.061 8.061 8.767 -0.706 17858 1970 1 6 . 1 1 29 29 ARG N N 432 121.538 121.538 123.433 -1.895 17858 1971 1 6 . 1 1 29 29 ARG HA H 432 4.280 4.280 4.566 -0.286 17858 1972 1 6 . 1 1 29 29 ARG CA C 432 55.492 55.492 56.323 -0.831 17858 1973 1 6 . 1 1 29 29 ARG CB C 432 31.353 31.353 30.497 0.856 17858 1974 1 6 . 1 1 29 29 ARG H H 432 8.630 8.630 8.860 -0.230 17858 1975 1 6 . 1 1 30 30 SER N N 433 112.439 112.439 114.072 -1.633 17858 1976 1 6 . 1 1 30 30 SER HA H 433 4.463 4.463 4.425 0.038 17858 1977 1 6 . 1 1 30 30 SER CA C 433 56.566 56.566 57.337 -0.771 17858 1978 1 6 . 1 1 30 30 SER CB C 433 64.803 64.803 64.289 0.514 17858 1979 1 6 . 1 1 30 30 SER H H 433 7.450 7.450 7.762 -0.312 17858 1980 1 6 . 1 1 31 31 HIS N N 434 121.494 121.494 118.104 3.390 17858 1981 1 6 . 1 1 31 31 HIS HA H 434 4.279 4.279 4.396 -0.117 17858 1982 1 6 . 1 1 31 31 HIS CA C 434 56.955 56.955 55.193 1.762 17858 1983 1 6 . 1 1 31 31 HIS CB C 434 29.834 29.834 28.820 1.014 17858 1984 1 6 . 1 1 31 31 HIS H H 434 8.132 8.132 8.343 -0.211 17858 1985 1 6 . 1 1 32 32 ILE N N 435 123.851 123.851 123.484 0.367 17858 1986 1 6 . 1 1 32 32 ILE HA H 435 3.506 3.506 3.853 -0.347 17858 1987 1 6 . 1 1 32 32 ILE CA C 435 61.345 61.345 59.160 2.185 17858 1988 1 6 . 1 1 32 32 ILE CB C 435 37.765 37.765 36.287 1.478 17858 1989 1 6 . 1 1 32 32 ILE H H 435 7.858 7.858 7.962 -0.104 17858 1990 1 6 . 1 1 33 33 MET N N 436 125.294 125.294 124.629 0.665 17858 1991 1 6 . 1 1 33 33 MET HA H 436 4.050 4.050 4.651 -0.601 17858 1992 1 6 . 1 1 33 33 MET CA C 436 54.733 54.733 56.237 -1.504 17858 1993 1 6 . 1 1 33 33 MET CB C 436 31.934 31.934 33.801 -1.867 17858 1994 1 6 . 1 1 33 33 MET H H 436 8.317 8.317 8.354 -0.037 17858 1995 1 6 . 1 1 34 34 CYS N N 437 127.958 127.958 119.154 8.804 17858 1996 1 6 . 1 1 34 34 CYS HA H 437 3.389 3.389 5.095 -1.706 17858 1997 1 6 . 1 1 34 34 CYS CA C 437 61.544 61.544 58.233 3.311 17858 1998 1 6 . 1 1 34 34 CYS CB C 437 31.325 31.325 29.828 1.497 17858 1999 1 6 . 1 1 34 34 CYS H H 437 9.255 9.255 8.378 0.877 17858 2000 1 6 . 1 1 35 35 ARG N N 438 131.582 131.582 126.507 5.075 17858 2001 1 6 . 1 1 35 35 ARG HA H 438 3.887 3.887 4.184 -0.297 17858 2002 1 6 . 1 1 35 35 ARG CA C 438 59.466 59.466 58.880 0.586 17858 2003 1 6 . 1 1 35 35 ARG CB C 438 30.251 30.251 30.082 0.169 17858 2004 1 6 . 1 1 35 35 ARG H H 438 8.645 8.645 9.190 -0.545 17858 2005 1 6 . 1 1 36 36 GLU N N 439 117.530 117.530 117.817 -0.287 17858 2006 1 6 . 1 1 36 36 GLU HA H 439 4.284 4.284 4.347 -0.063 17858 2007 1 6 . 1 1 36 36 GLU CA C 439 57.440 57.440 56.169 1.271 17858 2008 1 6 . 1 1 36 36 GLU CB C 439 30.295 30.295 29.679 0.616 17858 2009 1 6 . 1 1 36 36 GLU H H 439 8.302 8.302 8.106 0.196 17858 2010 1 6 . 1 1 37 37 GLY N N 440 107.589 107.589 108.676 -1.087 17858 2011 1 6 . 1 1 37 37 GLY CA C 440 47.353 47.353 45.703 1.650 17858 2012 1 6 . 1 1 37 37 GLY H H 440 7.518 7.518 8.042 -0.524 17858 2013 1 6 . 1 1 38 38 ALA N N 441 126.673 126.673 125.557 1.116 17858 2014 1 6 . 1 1 38 38 ALA HA H 441 4.180 4.180 4.188 -0.008 17858 2015 1 6 . 1 1 38 38 ALA CA C 441 53.717 53.717 53.090 0.627 17858 2016 1 6 . 1 1 38 38 ALA CB C 441 19.127 19.127 18.387 0.740 17858 2017 1 6 . 1 1 38 38 ALA H H 441 9.114 9.114 8.507 0.607 17858 2018 1 6 . 1 1 39 39 ASN N N 442 113.951 113.951 116.451 -2.500 17858 2019 1 6 . 1 1 39 39 ASN HA H 442 4.655 4.655 4.745 -0.090 17858 2020 1 6 . 1 1 39 39 ASN CA C 442 52.940 52.940 53.022 -0.082 17858 2021 1 6 . 1 1 39 39 ASN CB C 442 39.264 39.264 39.814 -0.550 17858 2022 1 6 . 1 1 39 39 ASN H H 442 8.072 8.072 7.715 0.357 17858 2023 1 6 . 1 1 40 40 CYS N N 443 122.245 122.245 119.792 2.453 17858 2024 1 6 . 1 1 40 40 CYS HA H 443 4.070 4.070 4.250 -0.180 17858 2025 1 6 . 1 1 40 40 CYS CA C 443 60.661 60.661 59.996 0.665 17858 2026 1 6 . 1 1 40 40 CYS CB C 443 31.037 31.037 28.134 2.903 17858 2027 1 6 . 1 1 40 40 CYS H H 443 7.237 7.237 7.249 -0.012 17858 2028 1 6 . 1 1 41 41 THR N N 444 120.684 120.684 118.852 1.832 17858 2029 1 6 . 1 1 41 41 THR HA H 444 4.411 4.411 4.356 0.055 17858 2030 1 6 . 1 1 41 41 THR CA C 444 61.110 61.110 61.693 -0.583 17858 2031 1 6 . 1 1 41 41 THR CB C 444 68.937 68.937 68.579 0.358 17858 2032 1 6 . 1 1 41 41 THR H H 444 9.033 9.033 8.453 0.580 17858 2033 1 6 . 1 1 42 42 ARG N N 445 123.977 123.977 121.418 2.559 17858 2034 1 6 . 1 1 42 42 ARG HA H 445 4.329 4.329 4.461 -0.132 17858 2035 1 6 . 1 1 42 42 ARG CA C 445 56.416 56.416 55.380 1.036 17858 2036 1 6 . 1 1 42 42 ARG CB C 445 30.604 30.604 32.710 -2.106 17858 2037 1 6 . 1 1 42 42 ARG H H 445 7.927 7.927 7.555 0.372 17858 2038 1 6 . 1 1 43 43 ILE N N 446 132.203 132.203 123.767 8.436 17858 2039 1 6 . 1 1 43 43 ILE HA H 446 3.609 3.609 4.139 -0.530 17858 2040 1 6 . 1 1 43 43 ILE CA C 446 63.023 63.023 62.282 0.741 17858 2041 1 6 . 1 1 43 43 ILE CB C 446 38.463 38.463 38.682 -0.219 17858 2042 1 6 . 1 1 43 43 ILE H H 446 9.010 9.010 8.631 0.379 17858 2043 1 6 . 1 1 44 44 ASP N N 447 116.309 116.309 119.424 -3.115 17858 2044 1 6 . 1 1 44 44 ASP HA H 447 4.555 4.555 4.629 -0.074 17858 2045 1 6 . 1 1 44 44 ASP CA C 447 52.727 52.727 53.441 -0.714 17858 2046 1 6 . 1 1 44 44 ASP CB C 447 40.177 40.177 40.336 -0.159 17858 2047 1 6 . 1 1 44 44 ASP H H 447 8.191 8.191 8.094 0.097 17858 2048 1 6 . 1 1 45 45 CYS N N 448 121.173 121.173 119.668 1.505 17858 2049 1 6 . 1 1 45 45 CYS HA H 448 3.913 3.913 4.413 -0.500 17858 2050 1 6 . 1 1 45 45 CYS CA C 448 62.082 62.082 58.785 3.297 17858 2051 1 6 . 1 1 45 45 CYS CB C 448 31.510 31.510 27.474 4.036 17858 2052 1 6 . 1 1 45 45 CYS H H 448 7.113 7.113 7.912 -0.799 17858 2053 1 6 . 1 1 46 46 LEU N N 449 128.150 128.150 128.053 0.097 17858 2054 1 6 . 1 1 46 46 LEU HA H 449 4.657 4.657 4.753 -0.096 17858 2055 1 6 . 1 1 46 46 LEU CA C 449 55.144 55.144 53.979 1.165 17858 2056 1 6 . 1 1 46 46 LEU CB C 449 43.004 43.004 41.248 1.756 17858 2057 1 6 . 1 1 46 46 LEU H H 449 8.451 8.451 8.524 -0.073 17858 2058 1 6 . 1 1 47 47 PHE N N 450 120.646 120.646 119.849 0.797 17858 2059 1 6 . 1 1 47 47 PHE HA H 450 4.527 4.527 4.844 -0.317 17858 2060 1 6 . 1 1 47 47 PHE CA C 450 58.198 58.198 54.688 3.510 17858 2061 1 6 . 1 1 47 47 PHE CB C 450 39.901 39.901 40.907 -1.006 17858 2062 1 6 . 1 1 47 47 PHE H H 450 8.390 8.390 7.227 1.163 17858 2063 1 6 . 1 1 48 48 GLY N N 451 104.118 104.118 109.006 -4.888 17858 2064 1 6 . 1 1 48 48 GLY CA C 451 47.675 47.675 44.928 2.747 17858 2065 1 6 . 1 1 48 48 GLY H H 451 8.643 8.643 8.295 0.348 17858 2066 1 6 . 1 1 49 49 HIS N N 452 119.710 119.710 125.290 -5.580 17858 2067 1 6 . 1 1 49 49 HIS HA H 452 4.725 4.725 4.791 -0.066 17858 2068 1 6 . 1 1 49 49 HIS CA C 452 54.408 54.408 52.645 1.763 17858 2069 1 6 . 1 1 49 49 HIS CB C 452 29.515 29.515 31.742 -2.227 17858 2070 1 6 . 1 1 49 49 HIS H H 452 6.951 6.951 8.064 -1.113 17858 2071 1 6 . 1 1 50 50 PRO HA H 453 4.291 4.291 4.398 -0.107 17858 2072 1 6 . 1 1 50 50 PRO CA C 453 63.872 63.872 62.915 0.957 17858 2073 1 6 . 1 1 50 50 PRO CB C 453 32.724 32.724 32.703 0.021 17858 2074 1 6 . 1 1 51 51 ILE N N 454 122.942 122.942 117.656 5.286 17858 2075 1 6 . 1 1 51 51 ILE HA H 454 3.787 3.787 4.135 -0.348 17858 2076 1 6 . 1 1 51 51 ILE CA C 454 61.010 61.010 60.232 0.778 17858 2077 1 6 . 1 1 51 51 ILE CB C 454 40.204 40.204 42.722 -2.518 17858 2078 1 6 . 1 1 51 51 ILE H H 454 8.189 8.189 7.837 0.352 17858 2079 1 6 . 1 1 52 52 ASN N N 455 128.496 128.496 123.244 5.252 17858 2080 1 6 . 1 1 52 52 ASN HA H 455 4.641 4.641 4.618 0.023 17858 2081 1 6 . 1 1 52 52 ASN CA C 455 52.832 52.832 53.587 -0.755 17858 2082 1 6 . 1 1 52 52 ASN CB C 455 36.969 36.969 38.010 -1.041 17858 2083 1 6 . 1 1 52 52 ASN H H 455 8.791 8.791 8.484 0.307 17858 2084 1 6 . 1 1 53 53 GLU N N 456 120.059 120.059 122.878 -2.819 17858 2085 1 6 . 1 1 53 53 GLU HA H 456 4.318 4.318 4.258 0.060 17858 2086 1 6 . 1 1 53 53 GLU CA C 456 55.588 55.588 55.033 0.555 17858 2087 1 6 . 1 1 53 53 GLU CB C 456 33.826 33.826 33.334 0.492 17858 2088 1 6 . 1 1 53 53 GLU H H 456 8.177 8.177 7.673 0.504 17858 2089 1 6 . 1 1 54 54 ASP N N 457 124.404 124.404 122.409 1.995 17858 2090 1 6 . 1 1 54 54 ASP HA H 457 4.446 4.446 5.213 -0.767 17858 2091 1 6 . 1 1 54 54 ASP CA C 457 55.594 55.594 52.916 2.678 17858 2092 1 6 . 1 1 54 54 ASP CB C 457 41.033 41.033 41.303 -0.270 17858 2093 1 6 . 1 1 54 54 ASP H H 457 8.923 8.923 8.424 0.499 17858 2094 1 6 . 1 1 55 55 CYS N N 458 125.765 125.765 125.283 0.482 17858 2095 1 6 . 1 1 55 55 CYS HA H 458 3.360 3.360 4.456 -1.096 17858 2096 1 6 . 1 1 55 55 CYS CA C 458 61.284 61.284 60.198 1.086 17858 2097 1 6 . 1 1 55 55 CYS CB C 458 31.125 31.125 28.967 2.158 17858 2098 1 6 . 1 1 55 55 CYS H H 458 9.113 9.113 8.114 0.999 17858 2099 1 6 . 1 1 56 56 ARG N N 459 130.790 130.790 123.293 7.497 17858 2100 1 6 . 1 1 56 56 ARG HA H 459 3.875 3.875 4.301 -0.426 17858 2101 1 6 . 1 1 56 56 ARG CA C 459 58.610 58.610 58.248 0.362 17858 2102 1 6 . 1 1 56 56 ARG CB C 459 29.566 29.566 30.154 -0.588 17858 2103 1 6 . 1 1 56 56 ARG H H 459 8.601 8.601 8.716 -0.115 17858 2104 1 6 . 1 1 57 57 PHE N N 460 119.175 119.175 117.442 1.733 17858 2105 1 6 . 1 1 57 57 PHE HA H 460 4.560 4.560 4.432 0.128 17858 2106 1 6 . 1 1 57 57 PHE CA C 460 58.367 58.367 58.659 -0.292 17858 2107 1 6 . 1 1 57 57 PHE CB C 460 39.049 39.049 39.621 -0.572 17858 2108 1 6 . 1 1 57 57 PHE H H 460 8.589 8.589 8.128 0.461 17858 2109 1 6 . 1 1 58 58 GLY N N 461 107.317 107.317 106.580 0.737 17858 2110 1 6 . 1 1 58 58 GLY CA C 461 47.253 47.253 45.281 1.972 17858 2111 1 6 . 1 1 58 58 GLY H H 461 7.386 7.386 8.532 -1.146 17858 2112 1 6 . 1 1 59 59 VAL N N 462 120.829 120.829 117.881 2.948 17858 2113 1 6 . 1 1 59 59 VAL HA H 462 3.674 3.674 4.346 -0.672 17858 2114 1 6 . 1 1 59 59 VAL CA C 462 64.142 64.142 62.696 1.446 17858 2115 1 6 . 1 1 59 59 VAL CB C 462 32.275 32.275 32.090 0.185 17858 2116 1 6 . 1 1 59 59 VAL H H 462 8.881 8.881 8.291 0.590 17858 2117 1 6 . 1 1 60 60 ASN N N 463 114.923 114.923 117.980 -3.057 17858 2118 1 6 . 1 1 60 60 ASN HA H 463 4.667 4.667 4.781 -0.114 17858 2119 1 6 . 1 1 60 60 ASN CA C 463 53.316 53.316 53.789 -0.473 17858 2120 1 6 . 1 1 60 60 ASN CB C 463 39.355 39.355 38.749 0.606 17858 2121 1 6 . 1 1 60 60 ASN H H 463 7.819 7.819 8.348 -0.529 17858 2122 1 6 . 1 1 61 61 CYS N N 464 121.670 121.670 121.024 0.646 17858 2123 1 6 . 1 1 61 61 CYS HA H 464 3.770 3.770 3.895 -0.125 17858 2124 1 6 . 1 1 61 61 CYS CA C 464 61.725 61.725 60.279 1.446 17858 2125 1 6 . 1 1 61 61 CYS CB C 464 30.891 30.891 26.502 4.389 17858 2126 1 6 . 1 1 61 61 CYS H H 464 7.049 7.049 8.201 -1.152 17858 2127 1 6 . 1 1 62 62 LYS N N 465 131.072 131.072 126.325 4.747 17858 2128 1 6 . 1 1 62 62 LYS HA H 465 4.312 4.312 4.440 -0.128 17858 2129 1 6 . 1 1 62 62 LYS CA C 465 55.230 55.230 55.784 -0.554 17858 2130 1 6 . 1 1 62 62 LYS CB C 465 32.794 32.794 32.408 0.386 17858 2131 1 6 . 1 1 62 62 LYS H H 465 8.836 8.836 8.307 0.529 17858 2132 1 6 . 1 1 63 63 ASN N N 466 119.130 119.130 117.382 1.748 17858 2133 1 6 . 1 1 63 63 ASN HA H 466 4.596 4.596 4.522 0.074 17858 2134 1 6 . 1 1 63 63 ASN CA C 466 52.210 52.210 52.373 -0.163 17858 2135 1 6 . 1 1 63 63 ASN CB C 466 38.827 38.827 39.813 -0.986 17858 2136 1 6 . 1 1 63 63 ASN H H 466 7.660 7.660 7.625 0.035 17858 2137 1 6 . 1 1 64 64 ILE N N 467 125.111 125.111 117.728 7.383 17858 2138 1 6 . 1 1 64 64 ILE HA H 467 3.539 3.539 4.154 -0.615 17858 2139 1 6 . 1 1 64 64 ILE CA C 467 64.493 64.493 61.115 3.378 17858 2140 1 6 . 1 1 64 64 ILE CB C 467 38.068 38.068 39.102 -1.034 17858 2141 1 6 . 1 1 64 64 ILE H H 467 8.475 8.475 7.528 0.947 17858 2142 1 6 . 1 1 65 65 TYR N N 468 118.920 118.920 117.775 1.145 17858 2143 1 6 . 1 1 65 65 TYR HA H 468 4.538 4.538 4.826 -0.288 17858 2144 1 6 . 1 1 65 65 TYR CA C 468 57.003 57.003 55.043 1.960 17858 2145 1 6 . 1 1 65 65 TYR CB C 468 37.716 37.716 36.739 0.977 17858 2146 1 6 . 1 1 65 65 TYR H H 468 7.462 7.462 7.124 0.338 17858 2147 1 6 . 1 1 66 66 CYS N N 469 122.658 122.658 121.619 1.039 17858 2148 1 6 . 1 1 66 66 CYS HA H 469 4.009 4.009 4.666 -0.657 17858 2149 1 6 . 1 1 66 66 CYS CA C 469 62.039 62.039 58.427 3.612 17858 2150 1 6 . 1 1 66 66 CYS CB C 469 31.455 31.455 28.041 3.414 17858 2151 1 6 . 1 1 66 66 CYS H H 469 7.305 7.305 8.305 -1.000 17858 2152 1 6 . 1 1 67 67 LEU N N 470 130.238 130.238 126.867 3.371 17858 2153 1 6 . 1 1 67 67 LEU HA H 470 4.353 4.353 4.553 -0.200 17858 2154 1 6 . 1 1 67 67 LEU CA C 470 55.947 55.947 54.341 1.606 17858 2155 1 6 . 1 1 67 67 LEU CB C 470 42.125 42.125 41.841 0.284 17858 2156 1 6 . 1 1 67 67 LEU H H 470 9.002 9.002 8.859 0.143 17858 2157 1 6 . 1 1 68 68 PHE N N 471 120.946 120.946 118.497 2.449 17858 2158 1 6 . 1 1 68 68 PHE HA H 471 4.576 4.576 4.506 0.070 17858 2159 1 6 . 1 1 68 68 PHE CA C 471 59.242 59.242 56.856 2.386 17858 2160 1 6 . 1 1 68 68 PHE CB C 471 39.865 39.865 41.201 -1.336 17858 2161 1 6 . 1 1 68 68 PHE H H 471 8.519 8.519 7.460 1.059 17858 2162 1 6 . 1 1 69 69 ARG N N 472 116.975 116.975 121.166 -4.191 17858 2163 1 6 . 1 1 69 69 ARG HA H 472 4.331 4.331 4.295 0.036 17858 2164 1 6 . 1 1 69 69 ARG CA C 472 56.933 56.933 54.886 2.047 17858 2165 1 6 . 1 1 69 69 ARG CB C 472 31.822 31.822 31.797 0.026 17858 2166 1 6 . 1 1 69 69 ARG H H 472 8.417 8.417 8.600 -0.183 17858 2167 1 6 . 1 1 70 70 HIS N N 473 118.809 118.809 122.622 -3.813 17858 2168 1 6 . 1 1 70 70 HIS HA H 473 4.991 4.991 5.033 -0.042 17858 2169 1 6 . 1 1 70 70 HIS CA C 473 55.311 55.311 53.427 1.884 17858 2170 1 6 . 1 1 70 70 HIS CB C 473 30.613 30.613 30.637 -0.024 17858 2171 1 6 . 1 1 70 70 HIS H H 473 8.499 8.499 8.413 0.086 17858 2172 1 6 . 1 1 71 71 PRO HA H 474 4.742 4.742 4.495 0.247 17858 2173 1 6 . 1 1 71 71 PRO CA C 474 61.250 61.250 61.960 -0.710 17858 2174 1 6 . 1 1 71 71 PRO CB C 474 30.743 30.743 31.060 -0.317 17858 2175 1 6 . 1 1 72 72 PRO HA H 475 4.279 4.279 4.390 -0.111 17858 2176 1 6 . 1 1 72 72 PRO CA C 475 63.941 63.941 63.384 0.557 17858 2177 1 6 . 1 1 72 72 PRO CB C 475 32.122 32.122 31.379 0.743 17858 2178 1 6 . 1 1 73 73 GLY N N 476 106.525 106.525 112.294 -5.769 17858 2179 1 6 . 1 1 73 73 GLY CA C 476 45.142 45.142 44.855 0.286 17858 2180 1 6 . 1 1 73 73 GLY H H 476 8.359 8.359 8.803 -0.444 17858 2181 1 6 . 1 1 74 74 ARG N N 477 121.516 121.516 119.697 1.819 17858 2182 1 6 . 1 1 74 74 ARG HA H 477 4.223 4.223 4.475 -0.252 17858 2183 1 6 . 1 1 74 74 ARG CA C 477 57.021 57.021 55.625 1.396 17858 2184 1 6 . 1 1 74 74 ARG CB C 477 31.388 31.388 31.781 -0.393 17858 2185 1 6 . 1 1 74 74 ARG H H 477 7.255 7.255 7.768 -0.513 17858 2186 1 6 . 1 1 75 75 VAL N N 478 128.411 128.411 117.857 10.554 17858 2187 1 6 . 1 1 75 75 VAL HA H 478 4.054 4.054 4.236 -0.182 17858 2188 1 6 . 1 1 75 75 VAL CA C 478 61.925 61.925 61.521 0.404 17858 2189 1 6 . 1 1 75 75 VAL CB C 478 33.788 33.788 32.883 0.905 17858 2190 1 6 . 1 1 75 75 VAL H H 478 8.569 8.569 8.324 0.245 17858 2191 1 6 . 1 1 76 76 LEU N N 479 127.195 127.195 121.515 5.680 17858 2192 1 6 . 1 1 76 76 LEU HA H 479 4.462 4.462 4.809 -0.347 17858 2193 1 6 . 1 1 76 76 LEU CA C 479 52.474 52.474 52.495 -0.021 17858 2194 1 6 . 1 1 76 76 LEU CB C 479 42.068 42.068 45.030 -2.962 17858 2195 1 6 . 1 1 76 76 LEU H H 479 8.338 8.338 8.386 -0.048 17858 2196 1 6 . 1 1 77 77 PRO HA H 480 4.251 4.251 4.409 -0.158 17858 2197 1 6 . 1 1 77 77 PRO CA C 480 63.072 63.072 63.104 -0.032 17858 2198 1 6 . 1 1 77 77 PRO CB C 480 32.313 32.313 31.819 0.494 17858 2199 1 6 . 1 1 78 78 GLU N N 481 120.828 120.828 121.672 -0.844 17858 2200 1 6 . 1 1 78 78 GLU HA H 481 4.089 4.089 4.035 0.054 17858 2201 1 6 . 1 1 78 78 GLU CA C 481 56.521 56.521 57.421 -0.900 17858 2202 1 6 . 1 1 78 78 GLU CB C 481 31.032 31.032 29.511 1.521 17858 2203 1 6 . 1 1 78 78 GLU H H 481 8.328 8.328 8.532 -0.204 17858 2204 1 6 . 1 1 79 79 LYS N N 482 123.778 123.778 122.887 0.891 17858 2205 1 6 . 1 1 79 79 LYS HA H 482 4.166 4.166 4.424 -0.258 17858 2206 1 6 . 1 1 79 79 LYS CA C 482 56.581 56.581 55.273 1.308 17858 2207 1 6 . 1 1 79 79 LYS CB C 482 33.279 33.279 34.054 -0.775 17858 2208 1 6 . 1 1 79 79 LYS H H 482 8.332 8.332 8.376 -0.044 17858 2209 1 7 . 1 1 2 2 PRO HA H 405 4.356 4.356 4.635 -0.279 17858 2210 1 7 . 1 1 2 2 PRO CA C 405 63.329 63.329 62.420 0.909 17858 2211 1 7 . 1 1 2 2 PRO CB C 405 32.603 32.603 32.734 -0.131 17858 2212 1 7 . 1 1 3 3 LEU N N 406 122.497 122.497 120.989 1.508 17858 2213 1 7 . 1 1 3 3 LEU HA H 406 4.231 4.231 4.471 -0.240 17858 2214 1 7 . 1 1 3 3 LEU CA C 406 55.838 55.838 55.119 0.719 17858 2215 1 7 . 1 1 3 3 LEU CB C 406 42.529 42.529 43.358 -0.828 17858 2216 1 7 . 1 1 3 3 LEU H H 406 8.571 8.571 8.173 0.398 17858 2217 1 7 . 1 1 4 4 GLY N N 407 110.132 110.132 112.343 -2.211 17858 2218 1 7 . 1 1 4 4 GLY CA C 407 45.746 45.746 44.705 1.042 17858 2219 1 7 . 1 1 4 4 GLY H H 407 8.504 8.504 8.431 0.073 17858 2220 1 7 . 1 1 5 5 SER N N 408 114.820 114.820 117.573 -2.753 17858 2221 1 7 . 1 1 5 5 SER HA H 408 4.321 4.321 4.692 -0.371 17858 2222 1 7 . 1 1 5 5 SER CA C 408 58.629 58.629 58.517 0.112 17858 2223 1 7 . 1 1 5 5 SER CB C 408 64.171 64.171 65.037 -0.866 17858 2224 1 7 . 1 1 5 5 SER H H 408 8.087 8.087 8.473 -0.386 17858 2225 1 7 . 1 1 6 6 GLU N N 409 122.539 122.539 121.295 1.244 17858 2226 1 7 . 1 1 6 6 GLU HA H 409 4.137 4.137 4.526 -0.389 17858 2227 1 7 . 1 1 6 6 GLU CA C 409 57.076 57.076 56.626 0.451 17858 2228 1 7 . 1 1 6 6 GLU CB C 409 30.420 30.420 30.283 0.137 17858 2229 1 7 . 1 1 6 6 GLU H H 409 8.483 8.483 8.417 0.066 17858 2230 1 7 . 1 1 7 7 LYS N N 410 120.141 120.141 122.941 -2.800 17858 2231 1 7 . 1 1 7 7 LYS HA H 410 4.332 4.332 4.505 -0.173 17858 2232 1 7 . 1 1 7 7 LYS CA C 410 56.279 56.279 55.959 0.320 17858 2233 1 7 . 1 1 7 7 LYS CB C 410 33.875 33.875 32.886 0.989 17858 2234 1 7 . 1 1 7 7 LYS H H 410 7.997 7.997 8.306 -0.309 17858 2235 1 7 . 1 1 8 8 SER N N 411 114.672 114.672 115.862 -1.190 17858 2236 1 7 . 1 1 8 8 SER HA H 411 4.542 4.542 4.495 0.047 17858 2237 1 7 . 1 1 8 8 SER CA C 411 56.092 56.092 56.817 -0.725 17858 2238 1 7 . 1 1 8 8 SER CB C 411 65.009 65.009 63.864 1.145 17858 2239 1 7 . 1 1 8 8 SER H H 411 8.214 8.214 7.805 0.409 17858 2240 1 7 . 1 1 9 9 LEU N N 412 122.535 122.535 127.369 -4.834 17858 2241 1 7 . 1 1 9 9 LEU HA H 412 3.938 3.938 4.120 -0.182 17858 2242 1 7 . 1 1 9 9 LEU CA C 412 55.495 55.495 55.483 0.012 17858 2243 1 7 . 1 1 9 9 LEU CB C 412 42.864 42.864 41.811 1.053 17858 2244 1 7 . 1 1 9 9 LEU H H 412 8.487 8.487 8.706 -0.219 17858 2245 1 7 . 1 1 10 10 GLU N N 413 121.582 121.582 117.243 4.339 17858 2246 1 7 . 1 1 10 10 GLU HA H 413 3.804 3.804 4.120 -0.316 17858 2247 1 7 . 1 1 10 10 GLU CA C 413 57.749 57.749 57.683 0.066 17858 2248 1 7 . 1 1 10 10 GLU CB C 413 29.807 29.807 30.322 -0.515 17858 2249 1 7 . 1 1 10 10 GLU H H 413 8.483 8.483 8.099 0.384 17858 2250 1 7 . 1 1 11 11 GLN N N 414 124.052 124.052 117.440 6.612 17858 2251 1 7 . 1 1 11 11 GLN HA H 414 3.768 3.768 4.699 -0.931 17858 2252 1 7 . 1 1 11 11 GLN CA C 414 55.415 55.415 54.608 0.807 17858 2253 1 7 . 1 1 11 11 GLN CB C 414 29.918 29.918 31.685 -1.767 17858 2254 1 7 . 1 1 11 11 GLN H H 414 8.475 8.475 8.418 0.057 17858 2255 1 7 . 1 1 12 12 CYS N N 415 129.067 129.067 123.589 5.478 17858 2256 1 7 . 1 1 12 12 CYS HA H 415 3.668 3.668 4.260 -0.592 17858 2257 1 7 . 1 1 12 12 CYS CA C 415 61.173 61.173 60.558 0.615 17858 2258 1 7 . 1 1 12 12 CYS CB C 415 30.342 30.342 28.479 1.863 17858 2259 1 7 . 1 1 12 12 CYS H H 415 9.290 9.290 8.419 0.871 17858 2260 1 7 . 1 1 13 13 LYS N N 416 129.282 129.282 122.808 6.474 17858 2261 1 7 . 1 1 13 13 LYS HA H 416 3.814 3.814 4.698 -0.884 17858 2262 1 7 . 1 1 13 13 LYS CA C 416 58.772 58.772 56.691 2.081 17858 2263 1 7 . 1 1 13 13 LYS CB C 416 32.186 32.186 32.390 -0.204 17858 2264 1 7 . 1 1 13 13 LYS H H 416 8.623 8.623 8.872 -0.249 17858 2265 1 7 . 1 1 14 14 PHE N N 417 119.338 119.338 119.181 0.157 17858 2266 1 7 . 1 1 14 14 PHE HA H 417 4.613 4.613 4.594 0.019 17858 2267 1 7 . 1 1 14 14 PHE CA C 417 58.971 58.971 58.779 0.192 17858 2268 1 7 . 1 1 14 14 PHE CB C 417 39.352 39.352 40.617 -1.265 17858 2269 1 7 . 1 1 14 14 PHE H H 417 8.603 8.603 7.882 0.721 17858 2270 1 7 . 1 1 15 15 GLY N N 418 107.206 107.206 108.532 -1.326 17858 2271 1 7 . 1 1 15 15 GLY CA C 418 47.937 47.937 46.487 1.450 17858 2272 1 7 . 1 1 15 15 GLY H H 418 7.472 7.472 8.654 -1.182 17858 2273 1 7 . 1 1 16 16 THR N N 419 117.234 117.234 116.428 0.806 17858 2274 1 7 . 1 1 16 16 THR HA H 419 4.002 4.002 4.454 -0.452 17858 2275 1 7 . 1 1 16 16 THR CA C 419 63.842 63.842 62.384 1.458 17858 2276 1 7 . 1 1 16 16 THR CB C 419 68.778 68.778 69.311 -0.533 17858 2277 1 7 . 1 1 16 16 THR H H 419 8.740 8.740 8.499 0.241 17858 2278 1 7 . 1 1 17 17 HIS N N 420 118.028 118.028 121.584 -3.556 17858 2279 1 7 . 1 1 17 17 HIS HA H 420 4.581 4.581 4.827 -0.246 17858 2280 1 7 . 1 1 17 17 HIS CA C 420 55.612 55.612 55.591 0.021 17858 2281 1 7 . 1 1 17 17 HIS CB C 420 29.751 29.751 30.437 -0.686 17858 2282 1 7 . 1 1 17 17 HIS H H 420 8.059 8.059 7.767 0.292 17858 2283 1 7 . 1 1 18 18 CYS N N 421 122.824 122.824 120.819 2.005 17858 2284 1 7 . 1 1 18 18 CYS HA H 421 3.849 3.849 4.261 -0.412 17858 2285 1 7 . 1 1 18 18 CYS CA C 421 61.733 61.733 59.869 1.864 17858 2286 1 7 . 1 1 18 18 CYS CB C 421 30.570 30.570 26.515 4.055 17858 2287 1 7 . 1 1 18 18 CYS H H 421 7.288 7.288 8.414 -1.126 17858 2288 1 7 . 1 1 19 19 THR N N 422 119.018 119.018 121.561 -2.543 17858 2289 1 7 . 1 1 19 19 THR HA H 422 4.348 4.348 4.419 -0.071 17858 2290 1 7 . 1 1 19 19 THR CA C 422 61.292 61.292 60.635 0.657 17858 2291 1 7 . 1 1 19 19 THR CB C 422 69.612 69.612 68.094 1.518 17858 2292 1 7 . 1 1 19 19 THR H H 422 8.435 8.435 8.149 0.286 17858 2293 1 7 . 1 1 20 20 ASN N N 423 121.923 121.923 120.010 1.913 17858 2294 1 7 . 1 1 20 20 ASN HA H 423 4.690 4.690 4.832 -0.142 17858 2295 1 7 . 1 1 20 20 ASN CA C 423 52.203 52.203 52.567 -0.364 17858 2296 1 7 . 1 1 20 20 ASN CB C 423 38.747 38.747 40.715 -1.968 17858 2297 1 7 . 1 1 20 20 ASN H H 423 7.924 7.924 7.914 0.010 17858 2298 1 7 . 1 1 21 21 LYS N N 424 127.775 127.775 123.048 4.727 17858 2299 1 7 . 1 1 21 21 LYS HA H 424 3.922 3.922 4.083 -0.161 17858 2300 1 7 . 1 1 21 21 LYS CA C 424 58.647 58.647 57.913 0.734 17858 2301 1 7 . 1 1 21 21 LYS CB C 424 32.289 32.289 32.997 -0.708 17858 2302 1 7 . 1 1 21 21 LYS H H 424 9.094 9.094 8.693 0.401 17858 2303 1 7 . 1 1 22 22 ARG N N 425 116.206 116.206 115.242 0.964 17858 2304 1 7 . 1 1 22 22 ARG HA H 425 4.270 4.270 4.535 -0.265 17858 2305 1 7 . 1 1 22 22 ARG CA C 425 54.832 54.832 54.624 0.208 17858 2306 1 7 . 1 1 22 22 ARG CB C 425 29.549 29.549 29.106 0.443 17858 2307 1 7 . 1 1 22 22 ARG H H 425 7.825 7.825 7.629 0.196 17858 2308 1 7 . 1 1 23 23 CYS N N 426 123.387 123.387 121.561 1.826 17858 2309 1 7 . 1 1 23 23 CYS HA H 426 3.867 3.867 4.446 -0.579 17858 2310 1 7 . 1 1 23 23 CYS CA C 426 62.205 62.205 60.500 1.705 17858 2311 1 7 . 1 1 23 23 CYS CB C 426 30.940 30.940 29.050 1.890 17858 2312 1 7 . 1 1 23 23 CYS H H 426 7.273 7.273 8.324 -1.051 17858 2313 1 7 . 1 1 24 24 LYS N N 427 128.443 128.443 127.863 0.580 17858 2314 1 7 . 1 1 24 24 LYS HA H 427 4.299 4.299 4.176 0.123 17858 2315 1 7 . 1 1 24 24 LYS CA C 427 57.047 57.047 55.524 1.523 17858 2316 1 7 . 1 1 24 24 LYS CB C 427 33.275 33.275 31.669 1.606 17858 2317 1 7 . 1 1 24 24 LYS H H 427 8.525 8.525 8.542 -0.017 17858 2318 1 7 . 1 1 25 25 TYR N N 428 123.059 123.059 114.720 8.339 17858 2319 1 7 . 1 1 25 25 TYR HA H 428 4.569 4.569 4.635 -0.066 17858 2320 1 7 . 1 1 25 25 TYR CA C 428 58.470 58.470 56.411 2.059 17858 2321 1 7 . 1 1 25 25 TYR CB C 428 39.830 39.830 41.394 -1.564 17858 2322 1 7 . 1 1 25 25 TYR H H 428 8.066 8.066 7.459 0.607 17858 2323 1 7 . 1 1 26 26 ARG N N 429 116.840 116.840 118.598 -1.758 17858 2324 1 7 . 1 1 26 26 ARG HA H 429 4.429 4.429 4.521 -0.092 17858 2325 1 7 . 1 1 26 26 ARG CA C 429 58.979 58.979 54.028 4.951 17858 2326 1 7 . 1 1 26 26 ARG CB C 429 33.073 33.073 32.730 0.343 17858 2327 1 7 . 1 1 26 26 ARG H H 429 8.275 8.275 8.294 -0.019 17858 2328 1 7 . 1 1 27 27 HIS N N 430 117.522 117.522 118.685 -1.163 17858 2329 1 7 . 1 1 27 27 HIS HA H 430 4.553 4.553 4.864 -0.311 17858 2330 1 7 . 1 1 27 27 HIS CA C 430 56.912 56.912 55.166 1.746 17858 2331 1 7 . 1 1 27 27 HIS CB C 430 30.715 30.715 33.727 -3.012 17858 2332 1 7 . 1 1 27 27 HIS H H 430 8.154 8.154 8.710 -0.556 17858 2333 1 7 . 1 1 28 28 ALA N N 431 126.087 126.087 126.400 -0.313 17858 2334 1 7 . 1 1 28 28 ALA HA H 431 4.106 4.106 4.588 -0.482 17858 2335 1 7 . 1 1 28 28 ALA CA C 431 51.833 51.833 51.803 0.030 17858 2336 1 7 . 1 1 28 28 ALA CB C 431 18.291 18.291 19.587 -1.296 17858 2337 1 7 . 1 1 28 28 ALA H H 431 8.061 8.061 8.845 -0.784 17858 2338 1 7 . 1 1 29 29 ARG N N 432 121.538 121.538 123.360 -1.822 17858 2339 1 7 . 1 1 29 29 ARG HA H 432 4.280 4.280 4.571 -0.291 17858 2340 1 7 . 1 1 29 29 ARG CA C 432 55.492 55.492 56.239 -0.747 17858 2341 1 7 . 1 1 29 29 ARG CB C 432 31.353 31.353 30.659 0.694 17858 2342 1 7 . 1 1 29 29 ARG H H 432 8.630 8.630 8.936 -0.306 17858 2343 1 7 . 1 1 30 30 SER N N 433 112.439 112.439 113.526 -1.087 17858 2344 1 7 . 1 1 30 30 SER HA H 433 4.463 4.463 4.471 -0.008 17858 2345 1 7 . 1 1 30 30 SER CA C 433 56.566 56.566 57.324 -0.758 17858 2346 1 7 . 1 1 30 30 SER CB C 433 64.803 64.803 64.420 0.383 17858 2347 1 7 . 1 1 30 30 SER H H 433 7.450 7.450 7.786 -0.336 17858 2348 1 7 . 1 1 31 31 HIS N N 434 121.494 121.494 118.339 3.155 17858 2349 1 7 . 1 1 31 31 HIS HA H 434 4.279 4.279 4.542 -0.263 17858 2350 1 7 . 1 1 31 31 HIS CA C 434 56.955 56.955 55.162 1.793 17858 2351 1 7 . 1 1 31 31 HIS CB C 434 29.834 29.834 28.838 0.996 17858 2352 1 7 . 1 1 31 31 HIS H H 434 8.132 8.132 8.364 -0.232 17858 2353 1 7 . 1 1 32 32 ILE N N 435 123.851 123.851 123.476 0.375 17858 2354 1 7 . 1 1 32 32 ILE HA H 435 3.506 3.506 3.856 -0.350 17858 2355 1 7 . 1 1 32 32 ILE CA C 435 61.345 61.345 59.219 2.126 17858 2356 1 7 . 1 1 32 32 ILE CB C 435 37.765 37.765 36.532 1.234 17858 2357 1 7 . 1 1 32 32 ILE H H 435 7.858 7.858 7.975 -0.117 17858 2358 1 7 . 1 1 33 33 MET N N 436 125.294 125.294 124.568 0.726 17858 2359 1 7 . 1 1 33 33 MET HA H 436 4.050 4.050 4.699 -0.649 17858 2360 1 7 . 1 1 33 33 MET CA C 436 54.733 54.733 56.061 -1.328 17858 2361 1 7 . 1 1 33 33 MET CB C 436 31.934 31.934 33.817 -1.883 17858 2362 1 7 . 1 1 33 33 MET H H 436 8.317 8.317 8.370 -0.053 17858 2363 1 7 . 1 1 34 34 CYS N N 437 127.958 127.958 119.231 8.727 17858 2364 1 7 . 1 1 34 34 CYS HA H 437 3.389 3.389 5.107 -1.718 17858 2365 1 7 . 1 1 34 34 CYS CA C 437 61.544 61.544 58.243 3.301 17858 2366 1 7 . 1 1 34 34 CYS CB C 437 31.325 31.325 29.792 1.533 17858 2367 1 7 . 1 1 34 34 CYS H H 437 9.255 9.255 8.406 0.849 17858 2368 1 7 . 1 1 35 35 ARG N N 438 131.582 131.582 126.621 4.961 17858 2369 1 7 . 1 1 35 35 ARG HA H 438 3.887 3.887 4.178 -0.291 17858 2370 1 7 . 1 1 35 35 ARG CA C 438 59.466 59.466 58.801 0.665 17858 2371 1 7 . 1 1 35 35 ARG CB C 438 30.251 30.251 30.138 0.113 17858 2372 1 7 . 1 1 35 35 ARG H H 438 8.645 8.645 9.142 -0.497 17858 2373 1 7 . 1 1 36 36 GLU N N 439 117.530 117.530 118.553 -1.023 17858 2374 1 7 . 1 1 36 36 GLU HA H 439 4.284 4.284 4.303 -0.019 17858 2375 1 7 . 1 1 36 36 GLU CA C 439 57.440 57.440 55.992 1.448 17858 2376 1 7 . 1 1 36 36 GLU CB C 439 30.295 30.295 29.733 0.562 17858 2377 1 7 . 1 1 36 36 GLU H H 439 8.302 8.302 8.233 0.069 17858 2378 1 7 . 1 1 37 37 GLY N N 440 107.589 107.589 108.717 -1.128 17858 2379 1 7 . 1 1 37 37 GLY CA C 440 47.353 47.353 45.736 1.617 17858 2380 1 7 . 1 1 37 37 GLY H H 440 7.518 7.518 8.070 -0.552 17858 2381 1 7 . 1 1 38 38 ALA N N 441 126.673 126.673 125.141 1.532 17858 2382 1 7 . 1 1 38 38 ALA HA H 441 4.180 4.180 4.178 0.002 17858 2383 1 7 . 1 1 38 38 ALA CA C 441 53.717 53.717 52.735 0.982 17858 2384 1 7 . 1 1 38 38 ALA CB C 441 19.127 19.127 18.383 0.744 17858 2385 1 7 . 1 1 38 38 ALA H H 441 9.114 9.114 8.469 0.645 17858 2386 1 7 . 1 1 39 39 ASN N N 442 113.951 113.951 115.778 -1.827 17858 2387 1 7 . 1 1 39 39 ASN HA H 442 4.655 4.655 4.795 -0.140 17858 2388 1 7 . 1 1 39 39 ASN CA C 442 52.940 52.940 53.016 -0.076 17858 2389 1 7 . 1 1 39 39 ASN CB C 442 39.264 39.264 39.674 -0.410 17858 2390 1 7 . 1 1 39 39 ASN H H 442 8.072 8.072 7.713 0.359 17858 2391 1 7 . 1 1 40 40 CYS N N 443 122.245 122.245 119.585 2.660 17858 2392 1 7 . 1 1 40 40 CYS HA H 443 4.070 4.070 4.199 -0.129 17858 2393 1 7 . 1 1 40 40 CYS CA C 443 60.661 60.661 60.252 0.409 17858 2394 1 7 . 1 1 40 40 CYS CB C 443 31.037 31.037 27.599 3.438 17858 2395 1 7 . 1 1 40 40 CYS H H 443 7.237 7.237 7.374 -0.137 17858 2396 1 7 . 1 1 41 41 THR N N 444 120.684 120.684 116.942 3.742 17858 2397 1 7 . 1 1 41 41 THR HA H 444 4.411 4.411 4.395 0.016 17858 2398 1 7 . 1 1 41 41 THR CA C 444 61.110 61.110 61.725 -0.615 17858 2399 1 7 . 1 1 41 41 THR CB C 444 68.937 68.937 68.822 0.115 17858 2400 1 7 . 1 1 41 41 THR H H 444 9.033 9.033 8.416 0.617 17858 2401 1 7 . 1 1 42 42 ARG N N 445 123.977 123.977 121.537 2.440 17858 2402 1 7 . 1 1 42 42 ARG HA H 445 4.329 4.329 4.485 -0.156 17858 2403 1 7 . 1 1 42 42 ARG CA C 445 56.416 56.416 55.312 1.103 17858 2404 1 7 . 1 1 42 42 ARG CB C 445 30.604 30.604 32.529 -1.925 17858 2405 1 7 . 1 1 42 42 ARG H H 445 7.927 7.927 7.493 0.434 17858 2406 1 7 . 1 1 43 43 ILE N N 446 132.203 132.203 122.441 9.762 17858 2407 1 7 . 1 1 43 43 ILE HA H 446 3.609 3.609 4.169 -0.560 17858 2408 1 7 . 1 1 43 43 ILE CA C 446 63.023 63.023 62.187 0.836 17858 2409 1 7 . 1 1 43 43 ILE CB C 446 38.463 38.463 38.645 -0.182 17858 2410 1 7 . 1 1 43 43 ILE H H 446 9.010 9.010 8.453 0.557 17858 2411 1 7 . 1 1 44 44 ASP N N 447 116.309 116.309 119.538 -3.229 17858 2412 1 7 . 1 1 44 44 ASP HA H 447 4.555 4.555 4.664 -0.109 17858 2413 1 7 . 1 1 44 44 ASP CA C 447 52.727 52.727 53.610 -0.883 17858 2414 1 7 . 1 1 44 44 ASP CB C 447 40.177 40.177 40.135 0.042 17858 2415 1 7 . 1 1 44 44 ASP H H 447 8.191 8.191 7.954 0.237 17858 2416 1 7 . 1 1 45 45 CYS N N 448 121.173 121.173 118.952 2.221 17858 2417 1 7 . 1 1 45 45 CYS HA H 448 3.913 3.913 4.541 -0.628 17858 2418 1 7 . 1 1 45 45 CYS CA C 448 62.082 62.082 58.310 3.772 17858 2419 1 7 . 1 1 45 45 CYS CB C 448 31.510 31.510 27.172 4.338 17858 2420 1 7 . 1 1 45 45 CYS H H 448 7.113 7.113 8.017 -0.904 17858 2421 1 7 . 1 1 46 46 LEU N N 449 128.150 128.150 131.354 -3.204 17858 2422 1 7 . 1 1 46 46 LEU HA H 449 4.657 4.657 4.704 -0.047 17858 2423 1 7 . 1 1 46 46 LEU CA C 449 55.144 55.144 54.203 0.941 17858 2424 1 7 . 1 1 46 46 LEU CB C 449 43.004 43.004 41.353 1.651 17858 2425 1 7 . 1 1 46 46 LEU H H 449 8.451 8.451 8.683 -0.232 17858 2426 1 7 . 1 1 47 47 PHE N N 450 120.646 120.646 119.154 1.492 17858 2427 1 7 . 1 1 47 47 PHE HA H 450 4.527 4.527 4.848 -0.321 17858 2428 1 7 . 1 1 47 47 PHE CA C 450 58.198 58.198 54.824 3.374 17858 2429 1 7 . 1 1 47 47 PHE CB C 450 39.901 39.901 41.063 -1.162 17858 2430 1 7 . 1 1 47 47 PHE H H 450 8.390 8.390 7.215 1.175 17858 2431 1 7 . 1 1 48 48 GLY N N 451 104.118 104.118 109.148 -5.030 17858 2432 1 7 . 1 1 48 48 GLY CA C 451 47.675 47.675 44.905 2.770 17858 2433 1 7 . 1 1 48 48 GLY H H 451 8.643 8.643 8.397 0.246 17858 2434 1 7 . 1 1 49 49 HIS N N 452 119.710 119.710 124.515 -4.805 17858 2435 1 7 . 1 1 49 49 HIS HA H 452 4.725 4.725 4.823 -0.098 17858 2436 1 7 . 1 1 49 49 HIS CA C 452 54.408 54.408 52.533 1.875 17858 2437 1 7 . 1 1 49 49 HIS CB C 452 29.515 29.515 31.878 -2.363 17858 2438 1 7 . 1 1 49 49 HIS H H 452 6.951 6.951 8.102 -1.151 17858 2439 1 7 . 1 1 50 50 PRO HA H 453 4.291 4.291 4.431 -0.140 17858 2440 1 7 . 1 1 50 50 PRO CA C 453 63.872 63.872 62.984 0.888 17858 2441 1 7 . 1 1 50 50 PRO CB C 453 32.724 32.724 32.714 0.010 17858 2442 1 7 . 1 1 51 51 ILE N N 454 122.942 122.942 118.953 3.989 17858 2443 1 7 . 1 1 51 51 ILE HA H 454 3.787 3.787 4.213 -0.426 17858 2444 1 7 . 1 1 51 51 ILE CA C 454 61.010 61.010 60.071 0.939 17858 2445 1 7 . 1 1 51 51 ILE CB C 454 40.204 40.204 42.819 -2.615 17858 2446 1 7 . 1 1 51 51 ILE H H 454 8.189 8.189 7.838 0.351 17858 2447 1 7 . 1 1 52 52 ASN N N 455 128.496 128.496 124.629 3.867 17858 2448 1 7 . 1 1 52 52 ASN HA H 455 4.641 4.641 4.572 0.069 17858 2449 1 7 . 1 1 52 52 ASN CA C 455 52.832 52.832 54.017 -1.185 17858 2450 1 7 . 1 1 52 52 ASN CB C 455 36.969 36.969 38.536 -1.567 17858 2451 1 7 . 1 1 52 52 ASN H H 455 8.791 8.791 8.595 0.196 17858 2452 1 7 . 1 1 53 53 GLU N N 456 120.059 120.059 122.522 -2.463 17858 2453 1 7 . 1 1 53 53 GLU HA H 456 4.318 4.318 4.295 0.023 17858 2454 1 7 . 1 1 53 53 GLU CA C 456 55.588 55.588 54.891 0.697 17858 2455 1 7 . 1 1 53 53 GLU CB C 456 33.826 33.826 33.384 0.442 17858 2456 1 7 . 1 1 53 53 GLU H H 456 8.177 8.177 7.918 0.259 17858 2457 1 7 . 1 1 54 54 ASP N N 457 124.404 124.404 123.581 0.823 17858 2458 1 7 . 1 1 54 54 ASP HA H 457 4.446 4.446 5.170 -0.724 17858 2459 1 7 . 1 1 54 54 ASP CA C 457 55.594 55.594 52.926 2.668 17858 2460 1 7 . 1 1 54 54 ASP CB C 457 41.033 41.033 41.834 -0.801 17858 2461 1 7 . 1 1 54 54 ASP H H 457 8.923 8.923 8.424 0.499 17858 2462 1 7 . 1 1 55 55 CYS N N 458 125.765 125.765 124.603 1.162 17858 2463 1 7 . 1 1 55 55 CYS HA H 458 3.360 3.360 4.497 -1.137 17858 2464 1 7 . 1 1 55 55 CYS CA C 458 61.284 61.284 60.212 1.072 17858 2465 1 7 . 1 1 55 55 CYS CB C 458 31.125 31.125 28.920 2.205 17858 2466 1 7 . 1 1 55 55 CYS H H 458 9.113 9.113 8.053 1.060 17858 2467 1 7 . 1 1 56 56 ARG N N 459 130.790 130.790 122.930 7.860 17858 2468 1 7 . 1 1 56 56 ARG HA H 459 3.875 3.875 4.330 -0.455 17858 2469 1 7 . 1 1 56 56 ARG CA C 459 58.610 58.610 58.202 0.408 17858 2470 1 7 . 1 1 56 56 ARG CB C 459 29.566 29.566 30.224 -0.658 17858 2471 1 7 . 1 1 56 56 ARG H H 459 8.601 8.601 8.737 -0.136 17858 2472 1 7 . 1 1 57 57 PHE N N 460 119.175 119.175 117.595 1.580 17858 2473 1 7 . 1 1 57 57 PHE HA H 460 4.560 4.560 4.420 0.140 17858 2474 1 7 . 1 1 57 57 PHE CA C 460 58.367 58.367 58.643 -0.276 17858 2475 1 7 . 1 1 57 57 PHE CB C 460 39.049 39.049 39.581 -0.532 17858 2476 1 7 . 1 1 57 57 PHE H H 460 8.589 8.589 8.123 0.466 17858 2477 1 7 . 1 1 58 58 GLY N N 461 107.317 107.317 106.204 1.113 17858 2478 1 7 . 1 1 58 58 GLY CA C 461 47.253 47.253 45.281 1.972 17858 2479 1 7 . 1 1 58 58 GLY H H 461 7.386 7.386 8.552 -1.166 17858 2480 1 7 . 1 1 59 59 VAL N N 462 120.829 120.829 119.852 0.977 17858 2481 1 7 . 1 1 59 59 VAL HA H 462 3.674 3.674 4.294 -0.620 17858 2482 1 7 . 1 1 59 59 VAL CA C 462 64.142 64.142 61.941 2.201 17858 2483 1 7 . 1 1 59 59 VAL CB C 462 32.275 32.275 31.376 0.899 17858 2484 1 7 . 1 1 59 59 VAL H H 462 8.881 8.881 8.411 0.470 17858 2485 1 7 . 1 1 60 60 ASN N N 463 114.923 114.923 117.327 -2.404 17858 2486 1 7 . 1 1 60 60 ASN HA H 463 4.667 4.667 4.724 -0.057 17858 2487 1 7 . 1 1 60 60 ASN CA C 463 53.316 53.316 53.966 -0.650 17858 2488 1 7 . 1 1 60 60 ASN CB C 463 39.355 39.355 38.914 0.441 17858 2489 1 7 . 1 1 60 60 ASN H H 463 7.819 7.819 8.022 -0.203 17858 2490 1 7 . 1 1 61 61 CYS N N 464 121.670 121.670 120.931 0.739 17858 2491 1 7 . 1 1 61 61 CYS HA H 464 3.770 3.770 3.920 -0.150 17858 2492 1 7 . 1 1 61 61 CYS CA C 464 61.725 61.725 60.202 1.524 17858 2493 1 7 . 1 1 61 61 CYS CB C 464 30.891 30.891 26.465 4.426 17858 2494 1 7 . 1 1 61 61 CYS H H 464 7.049 7.049 8.245 -1.196 17858 2495 1 7 . 1 1 62 62 LYS N N 465 131.072 131.072 126.370 4.702 17858 2496 1 7 . 1 1 62 62 LYS HA H 465 4.312 4.312 4.437 -0.125 17858 2497 1 7 . 1 1 62 62 LYS CA C 465 55.230 55.230 55.845 -0.615 17858 2498 1 7 . 1 1 62 62 LYS CB C 465 32.794 32.794 32.367 0.427 17858 2499 1 7 . 1 1 62 62 LYS H H 465 8.836 8.836 8.308 0.528 17858 2500 1 7 . 1 1 63 63 ASN N N 466 119.130 119.130 117.630 1.500 17858 2501 1 7 . 1 1 63 63 ASN HA H 466 4.596 4.596 4.529 0.067 17858 2502 1 7 . 1 1 63 63 ASN CA C 466 52.210 52.210 52.030 0.180 17858 2503 1 7 . 1 1 63 63 ASN CB C 466 38.827 38.827 39.979 -1.152 17858 2504 1 7 . 1 1 63 63 ASN H H 466 7.660 7.660 7.625 0.035 17858 2505 1 7 . 1 1 64 64 ILE N N 467 125.111 125.111 118.350 6.761 17858 2506 1 7 . 1 1 64 64 ILE HA H 467 3.539 3.539 4.202 -0.663 17858 2507 1 7 . 1 1 64 64 ILE CA C 467 64.493 64.493 60.905 3.588 17858 2508 1 7 . 1 1 64 64 ILE CB C 467 38.068 38.068 38.551 -0.483 17858 2509 1 7 . 1 1 64 64 ILE H H 467 8.475 8.475 7.659 0.816 17858 2510 1 7 . 1 1 65 65 TYR N N 468 118.920 118.920 117.456 1.464 17858 2511 1 7 . 1 1 65 65 TYR HA H 468 4.538 4.538 4.817 -0.279 17858 2512 1 7 . 1 1 65 65 TYR CA C 468 57.003 57.003 55.171 1.832 17858 2513 1 7 . 1 1 65 65 TYR CB C 468 37.716 37.716 36.840 0.876 17858 2514 1 7 . 1 1 65 65 TYR H H 468 7.462 7.462 7.104 0.358 17858 2515 1 7 . 1 1 66 66 CYS N N 469 122.658 122.658 121.263 1.395 17858 2516 1 7 . 1 1 66 66 CYS HA H 469 4.009 4.009 4.664 -0.655 17858 2517 1 7 . 1 1 66 66 CYS CA C 469 62.039 62.039 58.330 3.709 17858 2518 1 7 . 1 1 66 66 CYS CB C 469 31.455 31.455 27.937 3.518 17858 2519 1 7 . 1 1 66 66 CYS H H 469 7.305 7.305 8.295 -0.990 17858 2520 1 7 . 1 1 67 67 LEU N N 470 130.238 130.238 127.810 2.428 17858 2521 1 7 . 1 1 67 67 LEU HA H 470 4.353 4.353 4.657 -0.304 17858 2522 1 7 . 1 1 67 67 LEU CA C 470 55.947 55.947 54.554 1.393 17858 2523 1 7 . 1 1 67 67 LEU CB C 470 42.125 42.125 41.823 0.302 17858 2524 1 7 . 1 1 67 67 LEU H H 470 9.002 9.002 8.792 0.210 17858 2525 1 7 . 1 1 68 68 PHE N N 471 120.946 120.946 118.007 2.939 17858 2526 1 7 . 1 1 68 68 PHE HA H 471 4.576 4.576 4.564 0.012 17858 2527 1 7 . 1 1 68 68 PHE CA C 471 59.242 59.242 56.523 2.719 17858 2528 1 7 . 1 1 68 68 PHE CB C 471 39.865 39.865 41.384 -1.519 17858 2529 1 7 . 1 1 68 68 PHE H H 471 8.519 8.519 7.448 1.071 17858 2530 1 7 . 1 1 69 69 ARG N N 472 116.975 116.975 121.331 -4.356 17858 2531 1 7 . 1 1 69 69 ARG HA H 472 4.331 4.331 4.331 -0.000 17858 2532 1 7 . 1 1 69 69 ARG CA C 472 56.933 56.933 55.056 1.877 17858 2533 1 7 . 1 1 69 69 ARG CB C 472 31.822 31.822 31.823 -0.000 17858 2534 1 7 . 1 1 69 69 ARG H H 472 8.417 8.417 8.694 -0.277 17858 2535 1 7 . 1 1 70 70 HIS N N 473 118.809 118.809 123.242 -4.433 17858 2536 1 7 . 1 1 70 70 HIS HA H 473 4.991 4.991 4.824 0.167 17858 2537 1 7 . 1 1 70 70 HIS CA C 473 55.311 55.311 53.863 1.448 17858 2538 1 7 . 1 1 70 70 HIS CB C 473 30.613 30.613 30.190 0.423 17858 2539 1 7 . 1 1 70 70 HIS H H 473 8.499 8.499 8.412 0.087 17858 2540 1 7 . 1 1 71 71 PRO HA H 474 4.742 4.742 4.567 0.175 17858 2541 1 7 . 1 1 71 71 PRO CA C 474 61.250 61.250 62.023 -0.773 17858 2542 1 7 . 1 1 71 71 PRO CB C 474 30.743 30.743 31.106 -0.363 17858 2543 1 7 . 1 1 72 72 PRO HA H 475 4.279 4.279 4.384 -0.105 17858 2544 1 7 . 1 1 72 72 PRO CA C 475 63.941 63.941 63.435 0.506 17858 2545 1 7 . 1 1 72 72 PRO CB C 475 32.122 32.122 31.332 0.790 17858 2546 1 7 . 1 1 73 73 GLY N N 476 106.525 106.525 112.393 -5.868 17858 2547 1 7 . 1 1 73 73 GLY CA C 476 45.142 45.142 44.855 0.287 17858 2548 1 7 . 1 1 73 73 GLY H H 476 8.359 8.359 8.797 -0.438 17858 2549 1 7 . 1 1 74 74 ARG N N 477 121.516 121.516 120.191 1.325 17858 2550 1 7 . 1 1 74 74 ARG HA H 477 4.223 4.223 4.424 -0.201 17858 2551 1 7 . 1 1 74 74 ARG CA C 477 57.021 57.021 55.711 1.310 17858 2552 1 7 . 1 1 74 74 ARG CB C 477 31.388 31.388 31.656 -0.268 17858 2553 1 7 . 1 1 74 74 ARG H H 477 7.255 7.255 7.816 -0.561 17858 2554 1 7 . 1 1 75 75 VAL N N 478 128.411 128.411 113.716 14.695 17858 2555 1 7 . 1 1 75 75 VAL HA H 478 4.054 4.054 4.553 -0.499 17858 2556 1 7 . 1 1 75 75 VAL CA C 478 61.925 61.925 61.812 0.113 17858 2557 1 7 . 1 1 75 75 VAL CB C 478 33.788 33.788 33.581 0.207 17858 2558 1 7 . 1 1 75 75 VAL H H 478 8.569 8.569 8.077 0.492 17858 2559 1 7 . 1 1 76 76 LEU N N 479 127.195 127.195 119.579 7.616 17858 2560 1 7 . 1 1 76 76 LEU HA H 479 4.462 4.462 4.814 -0.352 17858 2561 1 7 . 1 1 76 76 LEU CA C 479 52.474 52.474 52.511 -0.037 17858 2562 1 7 . 1 1 76 76 LEU CB C 479 42.068 42.068 45.713 -3.645 17858 2563 1 7 . 1 1 76 76 LEU H H 479 8.338 8.338 8.206 0.132 17858 2564 1 7 . 1 1 77 77 PRO HA H 480 4.251 4.251 4.387 -0.136 17858 2565 1 7 . 1 1 77 77 PRO CA C 480 63.072 63.072 62.940 0.132 17858 2566 1 7 . 1 1 77 77 PRO CB C 480 32.313 32.313 31.828 0.485 17858 2567 1 7 . 1 1 78 78 GLU N N 481 120.828 120.828 124.055 -3.227 17858 2568 1 7 . 1 1 78 78 GLU HA H 481 4.089 4.089 4.515 -0.426 17858 2569 1 7 . 1 1 78 78 GLU CA C 481 56.521 56.521 56.010 0.511 17858 2570 1 7 . 1 1 78 78 GLU CB C 481 31.032 31.032 31.494 -0.462 17858 2571 1 7 . 1 1 78 78 GLU H H 481 8.328 8.328 8.593 -0.265 17858 2572 1 7 . 1 1 79 79 LYS N N 482 123.778 123.778 124.252 -0.474 17858 2573 1 7 . 1 1 79 79 LYS HA H 482 4.166 4.166 4.564 -0.398 17858 2574 1 7 . 1 1 79 79 LYS CA C 482 56.581 56.581 56.412 0.169 17858 2575 1 7 . 1 1 79 79 LYS CB C 482 33.279 33.279 32.636 0.642 17858 2576 1 7 . 1 1 79 79 LYS H H 482 8.332 8.332 8.625 -0.293 17858 2577 1 8 . 1 1 2 2 PRO HA H 405 4.356 4.356 4.657 -0.301 17858 2578 1 8 . 1 1 2 2 PRO CA C 405 63.329 63.329 62.835 0.494 17858 2579 1 8 . 1 1 2 2 PRO CB C 405 32.603 32.603 32.325 0.278 17858 2580 1 8 . 1 1 3 3 LEU N N 406 122.497 122.497 118.602 3.895 17858 2581 1 8 . 1 1 3 3 LEU HA H 406 4.231 4.231 4.663 -0.432 17858 2582 1 8 . 1 1 3 3 LEU CA C 406 55.838 55.838 54.514 1.324 17858 2583 1 8 . 1 1 3 3 LEU CB C 406 42.529 42.529 44.704 -2.175 17858 2584 1 8 . 1 1 3 3 LEU H H 406 8.571 8.571 7.876 0.695 17858 2585 1 8 . 1 1 4 4 GLY N N 407 110.132 110.132 109.181 0.951 17858 2586 1 8 . 1 1 4 4 GLY CA C 407 45.746 45.746 45.077 0.669 17858 2587 1 8 . 1 1 4 4 GLY H H 407 8.504 8.504 8.440 0.064 17858 2588 1 8 . 1 1 5 5 SER N N 408 114.820 114.820 120.016 -5.196 17858 2589 1 8 . 1 1 5 5 SER HA H 408 4.321 4.321 4.729 -0.408 17858 2590 1 8 . 1 1 5 5 SER CA C 408 58.629 58.629 57.812 0.817 17858 2591 1 8 . 1 1 5 5 SER CB C 408 64.171 64.171 65.116 -0.945 17858 2592 1 8 . 1 1 5 5 SER H H 408 8.087 8.087 8.381 -0.294 17858 2593 1 8 . 1 1 6 6 GLU N N 409 122.539 122.539 119.104 3.435 17858 2594 1 8 . 1 1 6 6 GLU HA H 409 4.137 4.137 4.396 -0.259 17858 2595 1 8 . 1 1 6 6 GLU CA C 409 57.076 57.076 56.838 0.238 17858 2596 1 8 . 1 1 6 6 GLU CB C 409 30.420 30.420 29.403 1.017 17858 2597 1 8 . 1 1 6 6 GLU H H 409 8.483 8.483 8.490 -0.007 17858 2598 1 8 . 1 1 7 7 LYS N N 410 120.141 120.141 122.714 -2.573 17858 2599 1 8 . 1 1 7 7 LYS HA H 410 4.332 4.332 4.494 -0.162 17858 2600 1 8 . 1 1 7 7 LYS CA C 410 56.279 56.279 55.920 0.359 17858 2601 1 8 . 1 1 7 7 LYS CB C 410 33.875 33.875 33.001 0.874 17858 2602 1 8 . 1 1 7 7 LYS H H 410 7.997 7.997 8.279 -0.282 17858 2603 1 8 . 1 1 8 8 SER N N 411 114.672 114.672 115.675 -1.003 17858 2604 1 8 . 1 1 8 8 SER HA H 411 4.542 4.542 4.643 -0.101 17858 2605 1 8 . 1 1 8 8 SER CA C 411 56.092 56.092 56.641 -0.549 17858 2606 1 8 . 1 1 8 8 SER CB C 411 65.009 65.009 64.219 0.790 17858 2607 1 8 . 1 1 8 8 SER H H 411 8.214 8.214 7.666 0.548 17858 2608 1 8 . 1 1 9 9 LEU N N 412 122.535 122.535 122.296 0.239 17858 2609 1 8 . 1 1 9 9 LEU HA H 412 3.938 3.938 4.530 -0.592 17858 2610 1 8 . 1 1 9 9 LEU CA C 412 55.495 55.495 53.991 1.504 17858 2611 1 8 . 1 1 9 9 LEU CB C 412 42.864 42.864 40.472 2.392 17858 2612 1 8 . 1 1 9 9 LEU H H 412 8.487 8.487 8.526 -0.039 17858 2613 1 8 . 1 1 10 10 GLU N N 413 121.582 121.582 119.716 1.866 17858 2614 1 8 . 1 1 10 10 GLU HA H 413 3.804 3.804 4.536 -0.732 17858 2615 1 8 . 1 1 10 10 GLU CA C 413 57.749 57.749 55.040 2.709 17858 2616 1 8 . 1 1 10 10 GLU CB C 413 29.807 29.807 31.598 -1.790 17858 2617 1 8 . 1 1 10 10 GLU H H 413 8.483 8.483 8.287 0.196 17858 2618 1 8 . 1 1 11 11 GLN N N 414 124.052 124.052 118.543 5.509 17858 2619 1 8 . 1 1 11 11 GLN HA H 414 3.768 3.768 4.763 -0.995 17858 2620 1 8 . 1 1 11 11 GLN CA C 414 55.415 55.415 54.553 0.862 17858 2621 1 8 . 1 1 11 11 GLN CB C 414 29.918 29.918 31.915 -1.997 17858 2622 1 8 . 1 1 11 11 GLN H H 414 8.475 8.475 8.474 0.001 17858 2623 1 8 . 1 1 12 12 CYS N N 415 129.067 129.067 123.645 5.422 17858 2624 1 8 . 1 1 12 12 CYS HA H 415 3.668 3.668 4.239 -0.571 17858 2625 1 8 . 1 1 12 12 CYS CA C 415 61.173 61.173 60.757 0.416 17858 2626 1 8 . 1 1 12 12 CYS CB C 415 30.342 30.342 28.335 2.007 17858 2627 1 8 . 1 1 12 12 CYS H H 415 9.290 9.290 8.395 0.895 17858 2628 1 8 . 1 1 13 13 LYS N N 416 129.282 129.282 121.631 7.651 17858 2629 1 8 . 1 1 13 13 LYS HA H 416 3.814 3.814 4.777 -0.963 17858 2630 1 8 . 1 1 13 13 LYS CA C 416 58.772 58.772 57.197 1.575 17858 2631 1 8 . 1 1 13 13 LYS CB C 416 32.186 32.186 32.084 0.102 17858 2632 1 8 . 1 1 13 13 LYS H H 416 8.623 8.623 8.823 -0.200 17858 2633 1 8 . 1 1 14 14 PHE N N 417 119.338 119.338 118.492 0.846 17858 2634 1 8 . 1 1 14 14 PHE HA H 417 4.613 4.613 4.658 -0.045 17858 2635 1 8 . 1 1 14 14 PHE CA C 417 58.971 58.971 58.778 0.193 17858 2636 1 8 . 1 1 14 14 PHE CB C 417 39.352 39.352 40.417 -1.065 17858 2637 1 8 . 1 1 14 14 PHE H H 417 8.603 8.603 7.646 0.957 17858 2638 1 8 . 1 1 15 15 GLY N N 418 107.206 107.206 108.866 -1.660 17858 2639 1 8 . 1 1 15 15 GLY CA C 418 47.937 47.937 46.658 1.279 17858 2640 1 8 . 1 1 15 15 GLY H H 418 7.472 7.472 8.507 -1.035 17858 2641 1 8 . 1 1 16 16 THR N N 419 117.234 117.234 117.376 -0.142 17858 2642 1 8 . 1 1 16 16 THR HA H 419 4.002 4.002 4.567 -0.565 17858 2643 1 8 . 1 1 16 16 THR CA C 419 63.842 63.842 61.635 2.207 17858 2644 1 8 . 1 1 16 16 THR CB C 419 68.778 68.778 68.187 0.591 17858 2645 1 8 . 1 1 16 16 THR H H 419 8.740 8.740 8.270 0.470 17858 2646 1 8 . 1 1 17 17 HIS N N 420 118.028 118.028 120.954 -2.926 17858 2647 1 8 . 1 1 17 17 HIS HA H 420 4.581 4.581 4.519 0.062 17858 2648 1 8 . 1 1 17 17 HIS CA C 420 55.612 55.612 56.770 -1.158 17858 2649 1 8 . 1 1 17 17 HIS CB C 420 29.751 29.751 30.591 -0.840 17858 2650 1 8 . 1 1 17 17 HIS H H 420 8.059 8.059 8.000 0.059 17858 2651 1 8 . 1 1 18 18 CYS N N 421 122.824 122.824 120.678 2.146 17858 2652 1 8 . 1 1 18 18 CYS HA H 421 3.849 3.849 4.510 -0.661 17858 2653 1 8 . 1 1 18 18 CYS CA C 421 61.733 61.733 58.877 2.856 17858 2654 1 8 . 1 1 18 18 CYS CB C 421 30.570 30.570 26.517 4.053 17858 2655 1 8 . 1 1 18 18 CYS H H 421 7.288 7.288 8.493 -1.205 17858 2656 1 8 . 1 1 19 19 THR N N 422 119.018 119.018 121.269 -2.251 17858 2657 1 8 . 1 1 19 19 THR HA H 422 4.348 4.348 4.443 -0.095 17858 2658 1 8 . 1 1 19 19 THR CA C 422 61.292 61.292 61.175 0.117 17858 2659 1 8 . 1 1 19 19 THR CB C 422 69.612 69.612 68.460 1.152 17858 2660 1 8 . 1 1 19 19 THR H H 422 8.435 8.435 8.184 0.251 17858 2661 1 8 . 1 1 20 20 ASN N N 423 121.923 121.923 119.969 1.954 17858 2662 1 8 . 1 1 20 20 ASN HA H 423 4.690 4.690 4.871 -0.181 17858 2663 1 8 . 1 1 20 20 ASN CA C 423 52.203 52.203 52.968 -0.765 17858 2664 1 8 . 1 1 20 20 ASN CB C 423 38.747 38.747 41.011 -2.264 17858 2665 1 8 . 1 1 20 20 ASN H H 423 7.924 7.924 7.951 -0.027 17858 2666 1 8 . 1 1 21 21 LYS N N 424 127.775 127.775 123.047 4.728 17858 2667 1 8 . 1 1 21 21 LYS HA H 424 3.922 3.922 4.099 -0.177 17858 2668 1 8 . 1 1 21 21 LYS CA C 424 58.647 58.647 57.608 1.039 17858 2669 1 8 . 1 1 21 21 LYS CB C 424 32.289 32.289 32.869 -0.580 17858 2670 1 8 . 1 1 21 21 LYS H H 424 9.094 9.094 8.744 0.350 17858 2671 1 8 . 1 1 22 22 ARG N N 425 116.206 116.206 117.152 -0.946 17858 2672 1 8 . 1 1 22 22 ARG HA H 425 4.270 4.270 4.480 -0.210 17858 2673 1 8 . 1 1 22 22 ARG CA C 425 54.832 54.832 54.996 -0.164 17858 2674 1 8 . 1 1 22 22 ARG CB C 425 29.549 29.549 30.146 -0.597 17858 2675 1 8 . 1 1 22 22 ARG H H 425 7.825 7.825 7.803 0.022 17858 2676 1 8 . 1 1 23 23 CYS N N 426 123.387 123.387 120.590 2.797 17858 2677 1 8 . 1 1 23 23 CYS HA H 426 3.867 3.867 4.453 -0.586 17858 2678 1 8 . 1 1 23 23 CYS CA C 426 62.205 62.205 60.352 1.853 17858 2679 1 8 . 1 1 23 23 CYS CB C 426 30.940 30.940 28.414 2.526 17858 2680 1 8 . 1 1 23 23 CYS H H 426 7.273 7.273 8.099 -0.826 17858 2681 1 8 . 1 1 24 24 LYS N N 427 128.443 128.443 127.287 1.156 17858 2682 1 8 . 1 1 24 24 LYS HA H 427 4.299 4.299 4.236 0.063 17858 2683 1 8 . 1 1 24 24 LYS CA C 427 57.047 57.047 55.424 1.623 17858 2684 1 8 . 1 1 24 24 LYS CB C 427 33.275 33.275 31.189 2.086 17858 2685 1 8 . 1 1 24 24 LYS H H 427 8.525 8.525 8.382 0.143 17858 2686 1 8 . 1 1 25 25 TYR N N 428 123.059 123.059 116.351 6.708 17858 2687 1 8 . 1 1 25 25 TYR HA H 428 4.569 4.569 4.516 0.053 17858 2688 1 8 . 1 1 25 25 TYR CA C 428 58.470 58.470 56.784 1.686 17858 2689 1 8 . 1 1 25 25 TYR CB C 428 39.830 39.830 41.185 -1.355 17858 2690 1 8 . 1 1 25 25 TYR H H 428 8.066 8.066 7.166 0.900 17858 2691 1 8 . 1 1 26 26 ARG N N 429 116.840 116.840 117.785 -0.945 17858 2692 1 8 . 1 1 26 26 ARG HA H 429 4.429 4.429 4.506 -0.077 17858 2693 1 8 . 1 1 26 26 ARG CA C 429 58.979 58.979 55.204 3.775 17858 2694 1 8 . 1 1 26 26 ARG CB C 429 33.073 33.073 31.932 1.141 17858 2695 1 8 . 1 1 26 26 ARG H H 429 8.275 8.275 8.275 -0.000 17858 2696 1 8 . 1 1 27 27 HIS N N 430 117.522 117.522 118.316 -0.794 17858 2697 1 8 . 1 1 27 27 HIS HA H 430 4.553 4.553 4.849 -0.296 17858 2698 1 8 . 1 1 27 27 HIS CA C 430 56.912 56.912 55.262 1.650 17858 2699 1 8 . 1 1 27 27 HIS CB C 430 30.715 30.715 33.750 -3.035 17858 2700 1 8 . 1 1 27 27 HIS H H 430 8.154 8.154 8.749 -0.595 17858 2701 1 8 . 1 1 28 28 ALA N N 431 126.087 126.087 125.917 0.170 17858 2702 1 8 . 1 1 28 28 ALA HA H 431 4.106 4.106 4.565 -0.459 17858 2703 1 8 . 1 1 28 28 ALA CA C 431 51.833 51.833 51.778 0.055 17858 2704 1 8 . 1 1 28 28 ALA CB C 431 18.291 18.291 19.628 -1.337 17858 2705 1 8 . 1 1 28 28 ALA H H 431 8.061 8.061 8.811 -0.750 17858 2706 1 8 . 1 1 29 29 ARG N N 432 121.538 121.538 123.478 -1.940 17858 2707 1 8 . 1 1 29 29 ARG HA H 432 4.280 4.280 4.608 -0.328 17858 2708 1 8 . 1 1 29 29 ARG CA C 432 55.492 55.492 56.096 -0.604 17858 2709 1 8 . 1 1 29 29 ARG CB C 432 31.353 31.353 30.317 1.036 17858 2710 1 8 . 1 1 29 29 ARG H H 432 8.630 8.630 9.074 -0.444 17858 2711 1 8 . 1 1 30 30 SER N N 433 112.439 112.439 114.575 -2.136 17858 2712 1 8 . 1 1 30 30 SER HA H 433 4.463 4.463 4.501 -0.038 17858 2713 1 8 . 1 1 30 30 SER CA C 433 56.566 56.566 57.161 -0.595 17858 2714 1 8 . 1 1 30 30 SER CB C 433 64.803 64.803 65.415 -0.611 17858 2715 1 8 . 1 1 30 30 SER H H 433 7.450 7.450 7.797 -0.347 17858 2716 1 8 . 1 1 31 31 HIS N N 434 121.494 121.494 117.932 3.562 17858 2717 1 8 . 1 1 31 31 HIS HA H 434 4.279 4.279 4.505 -0.226 17858 2718 1 8 . 1 1 31 31 HIS CA C 434 56.955 56.955 55.142 1.813 17858 2719 1 8 . 1 1 31 31 HIS CB C 434 29.834 29.834 29.015 0.819 17858 2720 1 8 . 1 1 31 31 HIS H H 434 8.132 8.132 8.339 -0.207 17858 2721 1 8 . 1 1 32 32 ILE N N 435 123.851 123.851 123.559 0.292 17858 2722 1 8 . 1 1 32 32 ILE HA H 435 3.506 3.506 3.865 -0.359 17858 2723 1 8 . 1 1 32 32 ILE CA C 435 61.345 61.345 59.218 2.127 17858 2724 1 8 . 1 1 32 32 ILE CB C 435 37.765 37.765 36.469 1.296 17858 2725 1 8 . 1 1 32 32 ILE H H 435 7.858 7.858 7.981 -0.123 17858 2726 1 8 . 1 1 33 33 MET N N 436 125.294 125.294 124.544 0.750 17858 2727 1 8 . 1 1 33 33 MET HA H 436 4.050 4.050 4.676 -0.626 17858 2728 1 8 . 1 1 33 33 MET CA C 436 54.733 54.733 55.964 -1.230 17858 2729 1 8 . 1 1 33 33 MET CB C 436 31.934 31.934 33.820 -1.886 17858 2730 1 8 . 1 1 33 33 MET H H 436 8.317 8.317 8.339 -0.022 17858 2731 1 8 . 1 1 34 34 CYS N N 437 127.958 127.958 119.313 8.645 17858 2732 1 8 . 1 1 34 34 CYS HA H 437 3.389 3.389 5.076 -1.687 17858 2733 1 8 . 1 1 34 34 CYS CA C 437 61.544 61.544 58.187 3.357 17858 2734 1 8 . 1 1 34 34 CYS CB C 437 31.325 31.325 29.648 1.677 17858 2735 1 8 . 1 1 34 34 CYS H H 437 9.255 9.255 8.375 0.880 17858 2736 1 8 . 1 1 35 35 ARG N N 438 131.582 131.582 126.793 4.789 17858 2737 1 8 . 1 1 35 35 ARG HA H 438 3.887 3.887 4.174 -0.287 17858 2738 1 8 . 1 1 35 35 ARG CA C 438 59.466 59.466 58.880 0.586 17858 2739 1 8 . 1 1 35 35 ARG CB C 438 30.251 30.251 30.063 0.188 17858 2740 1 8 . 1 1 35 35 ARG H H 438 8.645 8.645 9.198 -0.553 17858 2741 1 8 . 1 1 36 36 GLU N N 439 117.530 117.530 117.709 -0.179 17858 2742 1 8 . 1 1 36 36 GLU HA H 439 4.284 4.284 4.366 -0.082 17858 2743 1 8 . 1 1 36 36 GLU CA C 439 57.440 57.440 55.953 1.487 17858 2744 1 8 . 1 1 36 36 GLU CB C 439 30.295 30.295 29.413 0.882 17858 2745 1 8 . 1 1 36 36 GLU H H 439 8.302 8.302 8.041 0.261 17858 2746 1 8 . 1 1 37 37 GLY N N 440 107.589 107.589 108.908 -1.319 17858 2747 1 8 . 1 1 37 37 GLY CA C 440 47.353 47.353 45.726 1.627 17858 2748 1 8 . 1 1 37 37 GLY H H 440 7.518 7.518 8.140 -0.622 17858 2749 1 8 . 1 1 38 38 ALA N N 441 126.673 126.673 125.767 0.906 17858 2750 1 8 . 1 1 38 38 ALA HA H 441 4.180 4.180 4.181 -0.001 17858 2751 1 8 . 1 1 38 38 ALA CA C 441 53.717 53.717 53.022 0.695 17858 2752 1 8 . 1 1 38 38 ALA CB C 441 19.127 19.127 18.592 0.535 17858 2753 1 8 . 1 1 38 38 ALA H H 441 9.114 9.114 8.484 0.630 17858 2754 1 8 . 1 1 39 39 ASN N N 442 113.951 113.951 116.590 -2.639 17858 2755 1 8 . 1 1 39 39 ASN HA H 442 4.655 4.655 4.710 -0.055 17858 2756 1 8 . 1 1 39 39 ASN CA C 442 52.940 52.940 53.054 -0.114 17858 2757 1 8 . 1 1 39 39 ASN CB C 442 39.264 39.264 39.358 -0.094 17858 2758 1 8 . 1 1 39 39 ASN H H 442 8.072 8.072 7.729 0.343 17858 2759 1 8 . 1 1 40 40 CYS N N 443 122.245 122.245 119.646 2.599 17858 2760 1 8 . 1 1 40 40 CYS HA H 443 4.070 4.070 4.248 -0.178 17858 2761 1 8 . 1 1 40 40 CYS CA C 443 60.661 60.661 60.210 0.451 17858 2762 1 8 . 1 1 40 40 CYS CB C 443 31.037 31.037 28.266 2.771 17858 2763 1 8 . 1 1 40 40 CYS H H 443 7.237 7.237 7.245 -0.008 17858 2764 1 8 . 1 1 41 41 THR N N 444 120.684 120.684 119.588 1.096 17858 2765 1 8 . 1 1 41 41 THR HA H 444 4.411 4.411 4.365 0.046 17858 2766 1 8 . 1 1 41 41 THR CA C 444 61.110 61.110 61.806 -0.696 17858 2767 1 8 . 1 1 41 41 THR CB C 444 68.937 68.937 68.290 0.647 17858 2768 1 8 . 1 1 41 41 THR H H 444 9.033 9.033 8.436 0.597 17858 2769 1 8 . 1 1 42 42 ARG N N 445 123.977 123.977 121.770 2.207 17858 2770 1 8 . 1 1 42 42 ARG HA H 445 4.329 4.329 4.513 -0.184 17858 2771 1 8 . 1 1 42 42 ARG CA C 445 56.416 56.416 55.111 1.305 17858 2772 1 8 . 1 1 42 42 ARG CB C 445 30.604 30.604 32.689 -2.085 17858 2773 1 8 . 1 1 42 42 ARG H H 445 7.927 7.927 7.345 0.582 17858 2774 1 8 . 1 1 43 43 ILE N N 446 132.203 132.203 123.346 8.857 17858 2775 1 8 . 1 1 43 43 ILE HA H 446 3.609 3.609 4.261 -0.652 17858 2776 1 8 . 1 1 43 43 ILE CA C 446 63.023 63.023 61.839 1.184 17858 2777 1 8 . 1 1 43 43 ILE CB C 446 38.463 38.463 38.739 -0.276 17858 2778 1 8 . 1 1 43 43 ILE H H 446 9.010 9.010 8.646 0.364 17858 2779 1 8 . 1 1 44 44 ASP N N 447 116.309 116.309 119.392 -3.083 17858 2780 1 8 . 1 1 44 44 ASP HA H 447 4.555 4.555 4.810 -0.255 17858 2781 1 8 . 1 1 44 44 ASP CA C 447 52.727 52.727 53.735 -1.008 17858 2782 1 8 . 1 1 44 44 ASP CB C 447 40.177 40.177 40.196 -0.019 17858 2783 1 8 . 1 1 44 44 ASP H H 447 8.191 8.191 8.098 0.093 17858 2784 1 8 . 1 1 45 45 CYS N N 448 121.173 121.173 119.703 1.470 17858 2785 1 8 . 1 1 45 45 CYS HA H 448 3.913 3.913 4.428 -0.515 17858 2786 1 8 . 1 1 45 45 CYS CA C 448 62.082 62.082 58.665 3.417 17858 2787 1 8 . 1 1 45 45 CYS CB C 448 31.510 31.510 27.729 3.781 17858 2788 1 8 . 1 1 45 45 CYS H H 448 7.113 7.113 7.930 -0.817 17858 2789 1 8 . 1 1 46 46 LEU N N 449 128.150 128.150 127.979 0.171 17858 2790 1 8 . 1 1 46 46 LEU HA H 449 4.657 4.657 4.755 -0.098 17858 2791 1 8 . 1 1 46 46 LEU CA C 449 55.144 55.144 53.973 1.171 17858 2792 1 8 . 1 1 46 46 LEU CB C 449 43.004 43.004 41.168 1.836 17858 2793 1 8 . 1 1 46 46 LEU H H 449 8.451 8.451 8.526 -0.075 17858 2794 1 8 . 1 1 47 47 PHE N N 450 120.646 120.646 119.655 0.991 17858 2795 1 8 . 1 1 47 47 PHE HA H 450 4.527 4.527 4.983 -0.456 17858 2796 1 8 . 1 1 47 47 PHE CA C 450 58.198 58.198 54.423 3.775 17858 2797 1 8 . 1 1 47 47 PHE CB C 450 39.901 39.901 40.765 -0.864 17858 2798 1 8 . 1 1 47 47 PHE H H 450 8.390 8.390 7.217 1.173 17858 2799 1 8 . 1 1 48 48 GLY N N 451 104.118 104.118 108.918 -4.800 17858 2800 1 8 . 1 1 48 48 GLY CA C 451 47.675 47.675 44.784 2.891 17858 2801 1 8 . 1 1 48 48 GLY H H 451 8.643 8.643 8.285 0.358 17858 2802 1 8 . 1 1 49 49 HIS N N 452 119.710 119.710 124.354 -4.644 17858 2803 1 8 . 1 1 49 49 HIS HA H 452 4.725 4.725 4.812 -0.087 17858 2804 1 8 . 1 1 49 49 HIS CA C 452 54.408 54.408 52.544 1.864 17858 2805 1 8 . 1 1 49 49 HIS CB C 452 29.515 29.515 31.855 -2.340 17858 2806 1 8 . 1 1 49 49 HIS H H 452 6.951 6.951 8.127 -1.176 17858 2807 1 8 . 1 1 50 50 PRO HA H 453 4.291 4.291 4.393 -0.102 17858 2808 1 8 . 1 1 50 50 PRO CA C 453 63.872 63.872 63.031 0.841 17858 2809 1 8 . 1 1 50 50 PRO CB C 453 32.724 32.724 32.679 0.044 17858 2810 1 8 . 1 1 51 51 ILE N N 454 122.942 122.942 117.975 4.967 17858 2811 1 8 . 1 1 51 51 ILE HA H 454 3.787 3.787 4.223 -0.436 17858 2812 1 8 . 1 1 51 51 ILE CA C 454 61.010 61.010 60.197 0.813 17858 2813 1 8 . 1 1 51 51 ILE CB C 454 40.204 40.204 42.852 -2.648 17858 2814 1 8 . 1 1 51 51 ILE H H 454 8.189 8.189 7.985 0.204 17858 2815 1 8 . 1 1 52 52 ASN N N 455 128.496 128.496 124.671 3.825 17858 2816 1 8 . 1 1 52 52 ASN HA H 455 4.641 4.641 4.710 -0.069 17858 2817 1 8 . 1 1 52 52 ASN CA C 455 52.832 52.832 53.908 -1.076 17858 2818 1 8 . 1 1 52 52 ASN CB C 455 36.969 36.969 38.105 -1.136 17858 2819 1 8 . 1 1 52 52 ASN H H 455 8.791 8.791 8.684 0.107 17858 2820 1 8 . 1 1 53 53 GLU N N 456 120.059 120.059 122.183 -2.124 17858 2821 1 8 . 1 1 53 53 GLU HA H 456 4.318 4.318 4.510 -0.192 17858 2822 1 8 . 1 1 53 53 GLU CA C 456 55.588 55.588 55.019 0.570 17858 2823 1 8 . 1 1 53 53 GLU CB C 456 33.826 33.826 34.289 -0.463 17858 2824 1 8 . 1 1 53 53 GLU H H 456 8.177 8.177 8.126 0.051 17858 2825 1 8 . 1 1 54 54 ASP N N 457 124.404 124.404 122.475 1.929 17858 2826 1 8 . 1 1 54 54 ASP HA H 457 4.446 4.446 5.194 -0.748 17858 2827 1 8 . 1 1 54 54 ASP CA C 457 55.594 55.594 53.447 2.147 17858 2828 1 8 . 1 1 54 54 ASP CB C 457 41.033 41.033 41.476 -0.443 17858 2829 1 8 . 1 1 54 54 ASP H H 457 8.923 8.923 8.385 0.538 17858 2830 1 8 . 1 1 55 55 CYS N N 458 125.765 125.765 123.402 2.363 17858 2831 1 8 . 1 1 55 55 CYS HA H 458 3.360 3.360 4.261 -0.901 17858 2832 1 8 . 1 1 55 55 CYS CA C 458 61.284 61.284 60.052 1.232 17858 2833 1 8 . 1 1 55 55 CYS CB C 458 31.125 31.125 28.866 2.259 17858 2834 1 8 . 1 1 55 55 CYS H H 458 9.113 9.113 8.046 1.067 17858 2835 1 8 . 1 1 56 56 ARG N N 459 130.790 130.790 123.146 7.644 17858 2836 1 8 . 1 1 56 56 ARG HA H 459 3.875 3.875 4.242 -0.367 17858 2837 1 8 . 1 1 56 56 ARG CA C 459 58.610 58.610 58.309 0.301 17858 2838 1 8 . 1 1 56 56 ARG CB C 459 29.566 29.566 30.251 -0.685 17858 2839 1 8 . 1 1 56 56 ARG H H 459 8.601 8.601 8.807 -0.206 17858 2840 1 8 . 1 1 57 57 PHE N N 460 119.175 119.175 117.450 1.725 17858 2841 1 8 . 1 1 57 57 PHE HA H 460 4.560 4.560 4.440 0.120 17858 2842 1 8 . 1 1 57 57 PHE CA C 460 58.367 58.367 58.678 -0.311 17858 2843 1 8 . 1 1 57 57 PHE CB C 460 39.049 39.049 39.611 -0.562 17858 2844 1 8 . 1 1 57 57 PHE H H 460 8.589 8.589 8.181 0.408 17858 2845 1 8 . 1 1 58 58 GLY N N 461 107.317 107.317 106.556 0.761 17858 2846 1 8 . 1 1 58 58 GLY CA C 461 47.253 47.253 45.285 1.968 17858 2847 1 8 . 1 1 58 58 GLY H H 461 7.386 7.386 8.539 -1.153 17858 2848 1 8 . 1 1 59 59 VAL N N 462 120.829 120.829 117.942 2.887 17858 2849 1 8 . 1 1 59 59 VAL HA H 462 3.674 3.674 4.321 -0.647 17858 2850 1 8 . 1 1 59 59 VAL CA C 462 64.142 64.142 62.843 1.299 17858 2851 1 8 . 1 1 59 59 VAL CB C 462 32.275 32.275 31.937 0.338 17858 2852 1 8 . 1 1 59 59 VAL H H 462 8.881 8.881 8.272 0.609 17858 2853 1 8 . 1 1 60 60 ASN N N 463 114.923 114.923 117.785 -2.862 17858 2854 1 8 . 1 1 60 60 ASN HA H 463 4.667 4.667 4.786 -0.119 17858 2855 1 8 . 1 1 60 60 ASN CA C 463 53.316 53.316 53.836 -0.520 17858 2856 1 8 . 1 1 60 60 ASN CB C 463 39.355 39.355 38.919 0.436 17858 2857 1 8 . 1 1 60 60 ASN H H 463 7.819 7.819 8.251 -0.432 17858 2858 1 8 . 1 1 61 61 CYS N N 464 121.670 121.670 121.209 0.461 17858 2859 1 8 . 1 1 61 61 CYS HA H 464 3.770 3.770 3.913 -0.143 17858 2860 1 8 . 1 1 61 61 CYS CA C 464 61.725 61.725 60.096 1.629 17858 2861 1 8 . 1 1 61 61 CYS CB C 464 30.891 30.891 26.616 4.275 17858 2862 1 8 . 1 1 61 61 CYS H H 464 7.049 7.049 8.264 -1.215 17858 2863 1 8 . 1 1 62 62 LYS N N 465 131.072 131.072 127.065 4.007 17858 2864 1 8 . 1 1 62 62 LYS HA H 465 4.312 4.312 4.341 -0.029 17858 2865 1 8 . 1 1 62 62 LYS CA C 465 55.230 55.230 55.991 -0.761 17858 2866 1 8 . 1 1 62 62 LYS CB C 465 32.794 32.794 32.381 0.413 17858 2867 1 8 . 1 1 62 62 LYS H H 465 8.836 8.836 8.256 0.580 17858 2868 1 8 . 1 1 63 63 ASN N N 466 119.130 119.130 117.037 2.093 17858 2869 1 8 . 1 1 63 63 ASN HA H 466 4.596 4.596 4.599 -0.003 17858 2870 1 8 . 1 1 63 63 ASN CA C 466 52.210 52.210 52.311 -0.101 17858 2871 1 8 . 1 1 63 63 ASN CB C 466 38.827 38.827 40.354 -1.527 17858 2872 1 8 . 1 1 63 63 ASN H H 466 7.660 7.660 7.704 -0.044 17858 2873 1 8 . 1 1 64 64 ILE N N 467 125.111 125.111 118.591 6.520 17858 2874 1 8 . 1 1 64 64 ILE HA H 467 3.539 3.539 4.199 -0.660 17858 2875 1 8 . 1 1 64 64 ILE CA C 467 64.493 64.493 60.822 3.671 17858 2876 1 8 . 1 1 64 64 ILE CB C 467 38.068 38.068 38.473 -0.405 17858 2877 1 8 . 1 1 64 64 ILE H H 467 8.475 8.475 7.666 0.809 17858 2878 1 8 . 1 1 65 65 TYR N N 468 118.920 118.920 117.491 1.429 17858 2879 1 8 . 1 1 65 65 TYR HA H 468 4.538 4.538 4.774 -0.236 17858 2880 1 8 . 1 1 65 65 TYR CA C 468 57.003 57.003 55.109 1.894 17858 2881 1 8 . 1 1 65 65 TYR CB C 468 37.716 37.716 36.792 0.924 17858 2882 1 8 . 1 1 65 65 TYR H H 468 7.462 7.462 7.043 0.419 17858 2883 1 8 . 1 1 66 66 CYS N N 469 122.658 122.658 121.139 1.519 17858 2884 1 8 . 1 1 66 66 CYS HA H 469 4.009 4.009 4.507 -0.498 17858 2885 1 8 . 1 1 66 66 CYS CA C 469 62.039 62.039 58.146 3.893 17858 2886 1 8 . 1 1 66 66 CYS CB C 469 31.455 31.455 27.989 3.466 17858 2887 1 8 . 1 1 66 66 CYS H H 469 7.305 7.305 8.204 -0.899 17858 2888 1 8 . 1 1 67 67 LEU N N 470 130.238 130.238 127.236 3.002 17858 2889 1 8 . 1 1 67 67 LEU HA H 470 4.353 4.353 4.425 -0.072 17858 2890 1 8 . 1 1 67 67 LEU CA C 470 55.947 55.947 54.365 1.582 17858 2891 1 8 . 1 1 67 67 LEU CB C 470 42.125 42.125 41.514 0.611 17858 2892 1 8 . 1 1 67 67 LEU H H 470 9.002 9.002 8.250 0.752 17858 2893 1 8 . 1 1 68 68 PHE N N 471 120.946 120.946 117.605 3.341 17858 2894 1 8 . 1 1 68 68 PHE HA H 471 4.576 4.576 4.486 0.090 17858 2895 1 8 . 1 1 68 68 PHE CA C 471 59.242 59.242 55.555 3.687 17858 2896 1 8 . 1 1 68 68 PHE CB C 471 39.865 39.865 40.375 -0.510 17858 2897 1 8 . 1 1 68 68 PHE H H 471 8.519 8.519 7.009 1.510 17858 2898 1 8 . 1 1 69 69 ARG N N 472 116.975 116.975 120.599 -3.624 17858 2899 1 8 . 1 1 69 69 ARG HA H 472 4.331 4.331 4.331 0.000 17858 2900 1 8 . 1 1 69 69 ARG CA C 472 56.933 56.933 54.286 2.647 17858 2901 1 8 . 1 1 69 69 ARG CB C 472 31.822 31.822 31.597 0.225 17858 2902 1 8 . 1 1 69 69 ARG H H 472 8.417 8.417 8.710 -0.293 17858 2903 1 8 . 1 1 70 70 HIS N N 473 118.809 118.809 122.861 -4.052 17858 2904 1 8 . 1 1 70 70 HIS HA H 473 4.991 4.991 4.829 0.162 17858 2905 1 8 . 1 1 70 70 HIS CA C 473 55.311 55.311 53.687 1.624 17858 2906 1 8 . 1 1 70 70 HIS CB C 473 30.613 30.613 30.620 -0.007 17858 2907 1 8 . 1 1 70 70 HIS H H 473 8.499 8.499 8.382 0.117 17858 2908 1 8 . 1 1 71 71 PRO HA H 474 4.742 4.742 4.559 0.183 17858 2909 1 8 . 1 1 71 71 PRO CA C 474 61.250 61.250 61.999 -0.749 17858 2910 1 8 . 1 1 71 71 PRO CB C 474 30.743 30.743 31.210 -0.467 17858 2911 1 8 . 1 1 72 72 PRO HA H 475 4.279 4.279 4.404 -0.125 17858 2912 1 8 . 1 1 72 72 PRO CA C 475 63.941 63.941 63.287 0.654 17858 2913 1 8 . 1 1 72 72 PRO CB C 475 32.122 32.122 31.509 0.614 17858 2914 1 8 . 1 1 73 73 GLY N N 476 106.525 106.525 111.922 -5.397 17858 2915 1 8 . 1 1 73 73 GLY CA C 476 45.142 45.142 44.859 0.283 17858 2916 1 8 . 1 1 73 73 GLY H H 476 8.359 8.359 8.805 -0.446 17858 2917 1 8 . 1 1 74 74 ARG N N 477 121.516 121.516 118.883 2.633 17858 2918 1 8 . 1 1 74 74 ARG HA H 477 4.223 4.223 4.563 -0.340 17858 2919 1 8 . 1 1 74 74 ARG CA C 477 57.021 57.021 55.979 1.042 17858 2920 1 8 . 1 1 74 74 ARG CB C 477 31.388 31.388 31.635 -0.247 17858 2921 1 8 . 1 1 74 74 ARG H H 477 7.255 7.255 7.781 -0.526 17858 2922 1 8 . 1 1 75 75 VAL N N 478 128.411 128.411 117.644 10.767 17858 2923 1 8 . 1 1 75 75 VAL HA H 478 4.054 4.054 4.226 -0.172 17858 2924 1 8 . 1 1 75 75 VAL CA C 478 61.925 61.925 62.242 -0.317 17858 2925 1 8 . 1 1 75 75 VAL CB C 478 33.788 33.788 34.497 -0.709 17858 2926 1 8 . 1 1 75 75 VAL H H 478 8.569 8.569 8.256 0.313 17858 2927 1 8 . 1 1 76 76 LEU N N 479 127.195 127.195 122.483 4.712 17858 2928 1 8 . 1 1 76 76 LEU HA H 479 4.462 4.462 4.758 -0.296 17858 2929 1 8 . 1 1 76 76 LEU CA C 479 52.474 52.474 52.251 0.223 17858 2930 1 8 . 1 1 76 76 LEU CB C 479 42.068 42.068 43.928 -1.860 17858 2931 1 8 . 1 1 76 76 LEU H H 479 8.338 8.338 8.082 0.256 17858 2932 1 8 . 1 1 77 77 PRO HA H 480 4.251 4.251 4.369 -0.118 17858 2933 1 8 . 1 1 77 77 PRO CA C 480 63.072 63.072 62.882 0.190 17858 2934 1 8 . 1 1 77 77 PRO CB C 480 32.313 32.313 32.174 0.139 17858 2935 1 8 . 1 1 78 78 GLU N N 481 120.828 120.828 119.636 1.192 17858 2936 1 8 . 1 1 78 78 GLU HA H 481 4.089 4.089 4.026 0.063 17858 2937 1 8 . 1 1 78 78 GLU CA C 481 56.521 56.521 57.124 -0.603 17858 2938 1 8 . 1 1 78 78 GLU CB C 481 31.032 31.032 30.196 0.836 17858 2939 1 8 . 1 1 78 78 GLU H H 481 8.328 8.328 8.624 -0.296 17858 2940 1 8 . 1 1 79 79 LYS N N 482 123.778 123.778 124.358 -0.580 17858 2941 1 8 . 1 1 79 79 LYS HA H 482 4.166 4.166 4.402 -0.236 17858 2942 1 8 . 1 1 79 79 LYS CA C 482 56.581 56.581 55.514 1.067 17858 2943 1 8 . 1 1 79 79 LYS CB C 482 33.279 33.279 33.235 0.044 17858 2944 1 8 . 1 1 79 79 LYS H H 482 8.332 8.332 8.589 -0.257 17858 2945 1 9 . 1 1 2 2 PRO HA H 405 4.356 4.356 4.585 -0.229 17858 2946 1 9 . 1 1 2 2 PRO CA C 405 63.329 63.329 62.994 0.335 17858 2947 1 9 . 1 1 2 2 PRO CB C 405 32.603 32.603 31.559 1.044 17858 2948 1 9 . 1 1 3 3 LEU N N 406 122.497 122.497 125.618 -3.121 17858 2949 1 9 . 1 1 3 3 LEU HA H 406 4.231 4.231 4.587 -0.356 17858 2950 1 9 . 1 1 3 3 LEU CA C 406 55.838 55.838 54.904 0.934 17858 2951 1 9 . 1 1 3 3 LEU CB C 406 42.529 42.529 44.073 -1.544 17858 2952 1 9 . 1 1 3 3 LEU H H 406 8.571 8.571 8.146 0.425 17858 2953 1 9 . 1 1 4 4 GLY N N 407 110.132 110.132 112.243 -2.111 17858 2954 1 9 . 1 1 4 4 GLY CA C 407 45.746 45.746 44.494 1.252 17858 2955 1 9 . 1 1 4 4 GLY H H 407 8.504 8.504 8.551 -0.047 17858 2956 1 9 . 1 1 5 5 SER N N 408 114.820 114.820 114.699 0.121 17858 2957 1 9 . 1 1 5 5 SER HA H 408 4.321 4.321 4.593 -0.272 17858 2958 1 9 . 1 1 5 5 SER CA C 408 58.629 58.629 57.651 0.978 17858 2959 1 9 . 1 1 5 5 SER CB C 408 64.171 64.171 64.235 -0.064 17858 2960 1 9 . 1 1 5 5 SER H H 408 8.087 8.087 8.212 -0.125 17858 2961 1 9 . 1 1 6 6 GLU N N 409 122.539 122.539 120.445 2.094 17858 2962 1 9 . 1 1 6 6 GLU HA H 409 4.137 4.137 4.472 -0.335 17858 2963 1 9 . 1 1 6 6 GLU CA C 409 57.076 57.076 56.780 0.296 17858 2964 1 9 . 1 1 6 6 GLU CB C 409 30.420 30.420 29.567 0.853 17858 2965 1 9 . 1 1 6 6 GLU H H 409 8.483 8.483 8.492 -0.009 17858 2966 1 9 . 1 1 7 7 LYS N N 410 120.141 120.141 121.165 -1.024 17858 2967 1 9 . 1 1 7 7 LYS HA H 410 4.332 4.332 4.464 -0.132 17858 2968 1 9 . 1 1 7 7 LYS CA C 410 56.279 56.279 56.145 0.134 17858 2969 1 9 . 1 1 7 7 LYS CB C 410 33.875 33.875 32.834 1.041 17858 2970 1 9 . 1 1 7 7 LYS H H 410 7.997 7.997 8.290 -0.293 17858 2971 1 9 . 1 1 8 8 SER N N 411 114.672 114.672 115.679 -1.007 17858 2972 1 9 . 1 1 8 8 SER HA H 411 4.542 4.542 4.513 0.029 17858 2973 1 9 . 1 1 8 8 SER CA C 411 56.092 56.092 56.687 -0.595 17858 2974 1 9 . 1 1 8 8 SER CB C 411 65.009 65.009 64.208 0.801 17858 2975 1 9 . 1 1 8 8 SER H H 411 8.214 8.214 7.804 0.410 17858 2976 1 9 . 1 1 9 9 LEU N N 412 122.535 122.535 121.968 0.567 17858 2977 1 9 . 1 1 9 9 LEU HA H 412 3.938 3.938 4.570 -0.632 17858 2978 1 9 . 1 1 9 9 LEU CA C 412 55.495 55.495 53.858 1.637 17858 2979 1 9 . 1 1 9 9 LEU CB C 412 42.864 42.864 40.719 2.145 17858 2980 1 9 . 1 1 9 9 LEU H H 412 8.487 8.487 8.548 -0.061 17858 2981 1 9 . 1 1 10 10 GLU N N 413 121.582 121.582 119.450 2.132 17858 2982 1 9 . 1 1 10 10 GLU HA H 413 3.804 3.804 4.467 -0.663 17858 2983 1 9 . 1 1 10 10 GLU CA C 413 57.749 57.749 55.565 2.184 17858 2984 1 9 . 1 1 10 10 GLU CB C 413 29.807 29.807 31.640 -1.833 17858 2985 1 9 . 1 1 10 10 GLU H H 413 8.483 8.483 8.194 0.289 17858 2986 1 9 . 1 1 11 11 GLN N N 414 124.052 124.052 118.684 5.368 17858 2987 1 9 . 1 1 11 11 GLN HA H 414 3.768 3.768 4.750 -0.982 17858 2988 1 9 . 1 1 11 11 GLN CA C 414 55.415 55.415 54.641 0.774 17858 2989 1 9 . 1 1 11 11 GLN CB C 414 29.918 29.918 31.549 -1.631 17858 2990 1 9 . 1 1 11 11 GLN H H 414 8.475 8.475 8.515 -0.040 17858 2991 1 9 . 1 1 12 12 CYS N N 415 129.067 129.067 124.588 4.479 17858 2992 1 9 . 1 1 12 12 CYS HA H 415 3.668 3.668 4.223 -0.555 17858 2993 1 9 . 1 1 12 12 CYS CA C 415 61.173 61.173 60.751 0.422 17858 2994 1 9 . 1 1 12 12 CYS CB C 415 30.342 30.342 28.393 1.948 17858 2995 1 9 . 1 1 12 12 CYS H H 415 9.290 9.290 8.395 0.895 17858 2996 1 9 . 1 1 13 13 LYS N N 416 129.282 129.282 121.251 8.031 17858 2997 1 9 . 1 1 13 13 LYS HA H 416 3.814 3.814 4.710 -0.896 17858 2998 1 9 . 1 1 13 13 LYS CA C 416 58.772 58.772 56.689 2.083 17858 2999 1 9 . 1 1 13 13 LYS CB C 416 32.186 32.186 32.308 -0.122 17858 3000 1 9 . 1 1 13 13 LYS H H 416 8.623 8.623 8.688 -0.065 17858 3001 1 9 . 1 1 14 14 PHE N N 417 119.338 119.338 117.867 1.471 17858 3002 1 9 . 1 1 14 14 PHE HA H 417 4.613 4.613 4.704 -0.091 17858 3003 1 9 . 1 1 14 14 PHE CA C 417 58.971 58.971 58.568 0.403 17858 3004 1 9 . 1 1 14 14 PHE CB C 417 39.352 39.352 40.480 -1.128 17858 3005 1 9 . 1 1 14 14 PHE H H 417 8.603 8.603 7.605 0.998 17858 3006 1 9 . 1 1 15 15 GLY N N 418 107.206 107.206 109.061 -1.855 17858 3007 1 9 . 1 1 15 15 GLY CA C 418 47.937 47.937 46.378 1.559 17858 3008 1 9 . 1 1 15 15 GLY H H 418 7.472 7.472 8.389 -0.917 17858 3009 1 9 . 1 1 16 16 THR N N 419 117.234 117.234 116.394 0.840 17858 3010 1 9 . 1 1 16 16 THR HA H 419 4.002 4.002 4.533 -0.531 17858 3011 1 9 . 1 1 16 16 THR CA C 419 63.842 63.842 61.584 2.258 17858 3012 1 9 . 1 1 16 16 THR CB C 419 68.778 68.778 68.470 0.308 17858 3013 1 9 . 1 1 16 16 THR H H 419 8.740 8.740 8.426 0.314 17858 3014 1 9 . 1 1 17 17 HIS N N 420 118.028 118.028 120.864 -2.836 17858 3015 1 9 . 1 1 17 17 HIS HA H 420 4.581 4.581 4.545 0.036 17858 3016 1 9 . 1 1 17 17 HIS CA C 420 55.612 55.612 56.575 -0.963 17858 3017 1 9 . 1 1 17 17 HIS CB C 420 29.751 29.751 30.746 -0.995 17858 3018 1 9 . 1 1 17 17 HIS H H 420 8.059 8.059 7.956 0.103 17858 3019 1 9 . 1 1 18 18 CYS N N 421 122.824 122.824 120.694 2.130 17858 3020 1 9 . 1 1 18 18 CYS HA H 421 3.849 3.849 4.572 -0.723 17858 3021 1 9 . 1 1 18 18 CYS CA C 421 61.733 61.733 58.819 2.914 17858 3022 1 9 . 1 1 18 18 CYS CB C 421 30.570 30.570 26.479 4.091 17858 3023 1 9 . 1 1 18 18 CYS H H 421 7.288 7.288 8.549 -1.261 17858 3024 1 9 . 1 1 19 19 THR N N 422 119.018 119.018 121.911 -2.893 17858 3025 1 9 . 1 1 19 19 THR HA H 422 4.348 4.348 4.435 -0.087 17858 3026 1 9 . 1 1 19 19 THR CA C 422 61.292 61.292 61.263 0.029 17858 3027 1 9 . 1 1 19 19 THR CB C 422 69.612 69.612 68.419 1.193 17858 3028 1 9 . 1 1 19 19 THR H H 422 8.435 8.435 8.232 0.203 17858 3029 1 9 . 1 1 20 20 ASN N N 423 121.923 121.923 120.007 1.916 17858 3030 1 9 . 1 1 20 20 ASN HA H 423 4.690 4.690 4.878 -0.188 17858 3031 1 9 . 1 1 20 20 ASN CA C 423 52.203 52.203 52.819 -0.616 17858 3032 1 9 . 1 1 20 20 ASN CB C 423 38.747 38.747 40.828 -2.081 17858 3033 1 9 . 1 1 20 20 ASN H H 423 7.924 7.924 7.993 -0.069 17858 3034 1 9 . 1 1 21 21 LYS N N 424 127.775 127.775 123.206 4.569 17858 3035 1 9 . 1 1 21 21 LYS HA H 424 3.922 3.922 4.174 -0.252 17858 3036 1 9 . 1 1 21 21 LYS CA C 424 58.647 58.647 57.770 0.877 17858 3037 1 9 . 1 1 21 21 LYS CB C 424 32.289 32.289 33.010 -0.721 17858 3038 1 9 . 1 1 21 21 LYS H H 424 9.094 9.094 8.669 0.425 17858 3039 1 9 . 1 1 22 22 ARG N N 425 116.206 116.206 117.642 -1.436 17858 3040 1 9 . 1 1 22 22 ARG HA H 425 4.270 4.270 4.573 -0.303 17858 3041 1 9 . 1 1 22 22 ARG CA C 425 54.832 54.832 55.020 -0.188 17858 3042 1 9 . 1 1 22 22 ARG CB C 425 29.549 29.549 29.908 -0.359 17858 3043 1 9 . 1 1 22 22 ARG H H 425 7.825 7.825 7.823 0.002 17858 3044 1 9 . 1 1 23 23 CYS N N 426 123.387 123.387 120.210 3.177 17858 3045 1 9 . 1 1 23 23 CYS HA H 426 3.867 3.867 4.539 -0.672 17858 3046 1 9 . 1 1 23 23 CYS CA C 426 62.205 62.205 60.336 1.869 17858 3047 1 9 . 1 1 23 23 CYS CB C 426 30.940 30.940 28.407 2.533 17858 3048 1 9 . 1 1 23 23 CYS H H 426 7.273 7.273 8.361 -1.088 17858 3049 1 9 . 1 1 24 24 LYS N N 427 128.443 128.443 129.126 -0.683 17858 3050 1 9 . 1 1 24 24 LYS HA H 427 4.299 4.299 4.284 0.015 17858 3051 1 9 . 1 1 24 24 LYS CA C 427 57.047 57.047 55.646 1.401 17858 3052 1 9 . 1 1 24 24 LYS CB C 427 33.275 33.275 31.882 1.393 17858 3053 1 9 . 1 1 24 24 LYS H H 427 8.525 8.525 8.418 0.107 17858 3054 1 9 . 1 1 25 25 TYR N N 428 123.059 123.059 116.152 6.907 17858 3055 1 9 . 1 1 25 25 TYR HA H 428 4.569 4.569 4.507 0.062 17858 3056 1 9 . 1 1 25 25 TYR CA C 428 58.470 58.470 56.767 1.704 17858 3057 1 9 . 1 1 25 25 TYR CB C 428 39.830 39.830 40.946 -1.116 17858 3058 1 9 . 1 1 25 25 TYR H H 428 8.066 8.066 7.179 0.887 17858 3059 1 9 . 1 1 26 26 ARG N N 429 116.840 116.840 117.367 -0.527 17858 3060 1 9 . 1 1 26 26 ARG HA H 429 4.429 4.429 4.513 -0.084 17858 3061 1 9 . 1 1 26 26 ARG CA C 429 58.979 58.979 54.839 4.140 17858 3062 1 9 . 1 1 26 26 ARG CB C 429 33.073 33.073 31.949 1.124 17858 3063 1 9 . 1 1 26 26 ARG H H 429 8.275 8.275 8.434 -0.159 17858 3064 1 9 . 1 1 27 27 HIS N N 430 117.522 117.522 118.885 -1.363 17858 3065 1 9 . 1 1 27 27 HIS HA H 430 4.553 4.553 4.848 -0.295 17858 3066 1 9 . 1 1 27 27 HIS CA C 430 56.912 56.912 55.228 1.684 17858 3067 1 9 . 1 1 27 27 HIS CB C 430 30.715 30.715 33.946 -3.231 17858 3068 1 9 . 1 1 27 27 HIS H H 430 8.154 8.154 8.812 -0.658 17858 3069 1 9 . 1 1 28 28 ALA N N 431 126.087 126.087 126.389 -0.302 17858 3070 1 9 . 1 1 28 28 ALA HA H 431 4.106 4.106 4.552 -0.446 17858 3071 1 9 . 1 1 28 28 ALA CA C 431 51.833 51.833 51.697 0.136 17858 3072 1 9 . 1 1 28 28 ALA CB C 431 18.291 18.291 19.623 -1.332 17858 3073 1 9 . 1 1 28 28 ALA H H 431 8.061 8.061 8.812 -0.751 17858 3074 1 9 . 1 1 29 29 ARG N N 432 121.538 121.538 123.892 -2.354 17858 3075 1 9 . 1 1 29 29 ARG HA H 432 4.280 4.280 4.544 -0.264 17858 3076 1 9 . 1 1 29 29 ARG CA C 432 55.492 55.492 56.225 -0.733 17858 3077 1 9 . 1 1 29 29 ARG CB C 432 31.353 31.353 30.378 0.976 17858 3078 1 9 . 1 1 29 29 ARG H H 432 8.630 8.630 8.906 -0.277 17858 3079 1 9 . 1 1 30 30 SER N N 433 112.439 112.439 114.044 -1.605 17858 3080 1 9 . 1 1 30 30 SER HA H 433 4.463 4.463 4.500 -0.037 17858 3081 1 9 . 1 1 30 30 SER CA C 433 56.566 56.566 57.322 -0.756 17858 3082 1 9 . 1 1 30 30 SER CB C 433 64.803 64.803 65.137 -0.334 17858 3083 1 9 . 1 1 30 30 SER H H 433 7.450 7.450 7.805 -0.355 17858 3084 1 9 . 1 1 31 31 HIS N N 434 121.494 121.494 118.000 3.494 17858 3085 1 9 . 1 1 31 31 HIS HA H 434 4.279 4.279 4.487 -0.208 17858 3086 1 9 . 1 1 31 31 HIS CA C 434 56.955 56.955 55.216 1.739 17858 3087 1 9 . 1 1 31 31 HIS CB C 434 29.834 29.834 28.933 0.901 17858 3088 1 9 . 1 1 31 31 HIS H H 434 8.132 8.132 8.331 -0.199 17858 3089 1 9 . 1 1 32 32 ILE N N 435 123.851 123.851 123.410 0.441 17858 3090 1 9 . 1 1 32 32 ILE HA H 435 3.506 3.506 3.880 -0.374 17858 3091 1 9 . 1 1 32 32 ILE CA C 435 61.345 61.345 59.230 2.115 17858 3092 1 9 . 1 1 32 32 ILE CB C 435 37.765 37.765 36.591 1.174 17858 3093 1 9 . 1 1 32 32 ILE H H 435 7.858 7.858 7.959 -0.101 17858 3094 1 9 . 1 1 33 33 MET N N 436 125.294 125.294 124.584 0.710 17858 3095 1 9 . 1 1 33 33 MET HA H 436 4.050 4.050 4.704 -0.654 17858 3096 1 9 . 1 1 33 33 MET CA C 436 54.733 54.733 56.125 -1.392 17858 3097 1 9 . 1 1 33 33 MET CB C 436 31.934 31.934 33.847 -1.913 17858 3098 1 9 . 1 1 33 33 MET H H 436 8.317 8.317 8.380 -0.063 17858 3099 1 9 . 1 1 34 34 CYS N N 437 127.958 127.958 119.139 8.819 17858 3100 1 9 . 1 1 34 34 CYS HA H 437 3.389 3.389 5.113 -1.724 17858 3101 1 9 . 1 1 34 34 CYS CA C 437 61.544 61.544 58.272 3.272 17858 3102 1 9 . 1 1 34 34 CYS CB C 437 31.325 31.325 29.865 1.460 17858 3103 1 9 . 1 1 34 34 CYS H H 437 9.255 9.255 8.401 0.854 17858 3104 1 9 . 1 1 35 35 ARG N N 438 131.582 131.582 126.246 5.336 17858 3105 1 9 . 1 1 35 35 ARG HA H 438 3.887 3.887 4.126 -0.239 17858 3106 1 9 . 1 1 35 35 ARG CA C 438 59.466 59.466 59.014 0.452 17858 3107 1 9 . 1 1 35 35 ARG CB C 438 30.251 30.251 30.076 0.175 17858 3108 1 9 . 1 1 35 35 ARG H H 438 8.645 8.645 9.195 -0.550 17858 3109 1 9 . 1 1 36 36 GLU N N 439 117.530 117.530 118.880 -1.350 17858 3110 1 9 . 1 1 36 36 GLU HA H 439 4.284 4.284 4.295 -0.011 17858 3111 1 9 . 1 1 36 36 GLU CA C 439 57.440 57.440 56.094 1.346 17858 3112 1 9 . 1 1 36 36 GLU CB C 439 30.295 30.295 29.547 0.747 17858 3113 1 9 . 1 1 36 36 GLU H H 439 8.302 8.302 8.257 0.045 17858 3114 1 9 . 1 1 37 37 GLY N N 440 107.589 107.589 108.229 -0.640 17858 3115 1 9 . 1 1 37 37 GLY CA C 440 47.353 47.353 45.753 1.600 17858 3116 1 9 . 1 1 37 37 GLY H H 440 7.518 7.518 7.997 -0.479 17858 3117 1 9 . 1 1 38 38 ALA N N 441 126.673 126.673 125.771 0.902 17858 3118 1 9 . 1 1 38 38 ALA HA H 441 4.180 4.180 4.253 -0.073 17858 3119 1 9 . 1 1 38 38 ALA CA C 441 53.717 53.717 52.903 0.814 17858 3120 1 9 . 1 1 38 38 ALA CB C 441 19.127 19.127 18.651 0.477 17858 3121 1 9 . 1 1 38 38 ALA H H 441 9.114 9.114 8.566 0.548 17858 3122 1 9 . 1 1 39 39 ASN N N 442 113.951 113.951 115.696 -1.745 17858 3123 1 9 . 1 1 39 39 ASN HA H 442 4.655 4.655 4.814 -0.159 17858 3124 1 9 . 1 1 39 39 ASN CA C 442 52.940 52.940 53.593 -0.653 17858 3125 1 9 . 1 1 39 39 ASN CB C 442 39.264 39.264 39.484 -0.220 17858 3126 1 9 . 1 1 39 39 ASN H H 442 8.072 8.072 7.706 0.366 17858 3127 1 9 . 1 1 40 40 CYS N N 443 122.245 122.245 118.596 3.649 17858 3128 1 9 . 1 1 40 40 CYS HA H 443 4.070 4.070 4.193 -0.123 17858 3129 1 9 . 1 1 40 40 CYS CA C 443 60.661 60.661 60.106 0.555 17858 3130 1 9 . 1 1 40 40 CYS CB C 443 31.037 31.037 27.809 3.228 17858 3131 1 9 . 1 1 40 40 CYS H H 443 7.237 7.237 7.411 -0.174 17858 3132 1 9 . 1 1 41 41 THR N N 444 120.684 120.684 116.292 4.392 17858 3133 1 9 . 1 1 41 41 THR HA H 444 4.411 4.411 4.386 0.025 17858 3134 1 9 . 1 1 41 41 THR CA C 444 61.110 61.110 61.728 -0.618 17858 3135 1 9 . 1 1 41 41 THR CB C 444 68.937 68.937 69.088 -0.151 17858 3136 1 9 . 1 1 41 41 THR H H 444 9.033 9.033 8.448 0.585 17858 3137 1 9 . 1 1 42 42 ARG N N 445 123.977 123.977 120.682 3.295 17858 3138 1 9 . 1 1 42 42 ARG HA H 445 4.329 4.329 4.482 -0.153 17858 3139 1 9 . 1 1 42 42 ARG CA C 445 56.416 56.416 55.029 1.387 17858 3140 1 9 . 1 1 42 42 ARG CB C 445 30.604 30.604 32.484 -1.880 17858 3141 1 9 . 1 1 42 42 ARG H H 445 7.927 7.927 7.572 0.355 17858 3142 1 9 . 1 1 43 43 ILE N N 446 132.203 132.203 122.965 9.238 17858 3143 1 9 . 1 1 43 43 ILE HA H 446 3.609 3.609 4.336 -0.727 17858 3144 1 9 . 1 1 43 43 ILE CA C 446 63.023 63.023 61.888 1.135 17858 3145 1 9 . 1 1 43 43 ILE CB C 446 38.463 38.463 39.020 -0.557 17858 3146 1 9 . 1 1 43 43 ILE H H 446 9.010 9.010 8.674 0.336 17858 3147 1 9 . 1 1 44 44 ASP N N 447 116.309 116.309 117.953 -1.644 17858 3148 1 9 . 1 1 44 44 ASP HA H 447 4.555 4.555 4.627 -0.072 17858 3149 1 9 . 1 1 44 44 ASP CA C 447 52.727 52.727 52.617 0.110 17858 3150 1 9 . 1 1 44 44 ASP CB C 447 40.177 40.177 39.087 1.090 17858 3151 1 9 . 1 1 44 44 ASP H H 447 8.191 8.191 8.143 0.048 17858 3152 1 9 . 1 1 45 45 CYS N N 448 121.173 121.173 119.841 1.332 17858 3153 1 9 . 1 1 45 45 CYS HA H 448 3.913 3.913 4.388 -0.475 17858 3154 1 9 . 1 1 45 45 CYS CA C 448 62.082 62.082 59.599 2.482 17858 3155 1 9 . 1 1 45 45 CYS CB C 448 31.510 31.510 27.321 4.189 17858 3156 1 9 . 1 1 45 45 CYS H H 448 7.113 7.113 7.976 -0.863 17858 3157 1 9 . 1 1 46 46 LEU N N 449 128.150 128.150 127.548 0.602 17858 3158 1 9 . 1 1 46 46 LEU HA H 449 4.657 4.657 4.683 -0.026 17858 3159 1 9 . 1 1 46 46 LEU CA C 449 55.144 55.144 54.278 0.866 17858 3160 1 9 . 1 1 46 46 LEU CB C 449 43.004 43.004 41.962 1.042 17858 3161 1 9 . 1 1 46 46 LEU H H 449 8.451 8.451 8.412 0.039 17858 3162 1 9 . 1 1 47 47 PHE N N 450 120.646 120.646 118.819 1.827 17858 3163 1 9 . 1 1 47 47 PHE HA H 450 4.527 4.527 4.874 -0.347 17858 3164 1 9 . 1 1 47 47 PHE CA C 450 58.198 58.198 55.019 3.179 17858 3165 1 9 . 1 1 47 47 PHE CB C 450 39.901 39.901 41.145 -1.244 17858 3166 1 9 . 1 1 47 47 PHE H H 450 8.390 8.390 7.204 1.186 17858 3167 1 9 . 1 1 48 48 GLY N N 451 104.118 104.118 109.027 -4.909 17858 3168 1 9 . 1 1 48 48 GLY CA C 451 47.675 47.675 44.800 2.874 17858 3169 1 9 . 1 1 48 48 GLY H H 451 8.643 8.643 8.326 0.317 17858 3170 1 9 . 1 1 49 49 HIS N N 452 119.710 119.710 124.333 -4.623 17858 3171 1 9 . 1 1 49 49 HIS HA H 452 4.725 4.725 4.806 -0.081 17858 3172 1 9 . 1 1 49 49 HIS CA C 452 54.408 54.408 52.417 1.991 17858 3173 1 9 . 1 1 49 49 HIS CB C 452 29.515 29.515 31.880 -2.365 17858 3174 1 9 . 1 1 49 49 HIS H H 452 6.951 6.951 8.119 -1.168 17858 3175 1 9 . 1 1 50 50 PRO HA H 453 4.291 4.291 4.376 -0.085 17858 3176 1 9 . 1 1 50 50 PRO CA C 453 63.872 63.872 63.036 0.836 17858 3177 1 9 . 1 1 50 50 PRO CB C 453 32.724 32.724 32.604 0.120 17858 3178 1 9 . 1 1 51 51 ILE N N 454 122.942 122.942 118.372 4.570 17858 3179 1 9 . 1 1 51 51 ILE HA H 454 3.787 3.787 4.267 -0.480 17858 3180 1 9 . 1 1 51 51 ILE CA C 454 61.010 61.010 60.245 0.765 17858 3181 1 9 . 1 1 51 51 ILE CB C 454 40.204 40.204 42.787 -2.583 17858 3182 1 9 . 1 1 51 51 ILE H H 454 8.189 8.189 7.879 0.310 17858 3183 1 9 . 1 1 52 52 ASN N N 455 128.496 128.496 123.639 4.857 17858 3184 1 9 . 1 1 52 52 ASN HA H 455 4.641 4.641 4.673 -0.032 17858 3185 1 9 . 1 1 52 52 ASN CA C 455 52.832 52.832 53.922 -1.089 17858 3186 1 9 . 1 1 52 52 ASN CB C 455 36.969 36.969 38.500 -1.531 17858 3187 1 9 . 1 1 52 52 ASN H H 455 8.791 8.791 8.644 0.147 17858 3188 1 9 . 1 1 53 53 GLU N N 456 120.059 120.059 123.053 -2.994 17858 3189 1 9 . 1 1 53 53 GLU HA H 456 4.318 4.318 4.480 -0.162 17858 3190 1 9 . 1 1 53 53 GLU CA C 456 55.588 55.588 55.061 0.527 17858 3191 1 9 . 1 1 53 53 GLU CB C 456 33.826 33.826 34.374 -0.548 17858 3192 1 9 . 1 1 53 53 GLU H H 456 8.177 8.177 8.142 0.035 17858 3193 1 9 . 1 1 54 54 ASP N N 457 124.404 124.404 122.431 1.973 17858 3194 1 9 . 1 1 54 54 ASP HA H 457 4.446 4.446 5.205 -0.759 17858 3195 1 9 . 1 1 54 54 ASP CA C 457 55.594 55.594 53.315 2.279 17858 3196 1 9 . 1 1 54 54 ASP CB C 457 41.033 41.033 41.296 -0.263 17858 3197 1 9 . 1 1 54 54 ASP H H 457 8.923 8.923 8.396 0.527 17858 3198 1 9 . 1 1 55 55 CYS N N 458 125.765 125.765 123.144 2.621 17858 3199 1 9 . 1 1 55 55 CYS HA H 458 3.360 3.360 4.202 -0.842 17858 3200 1 9 . 1 1 55 55 CYS CA C 458 61.284 61.284 60.083 1.201 17858 3201 1 9 . 1 1 55 55 CYS CB C 458 31.125 31.125 28.724 2.401 17858 3202 1 9 . 1 1 55 55 CYS H H 458 9.113 9.113 8.049 1.064 17858 3203 1 9 . 1 1 56 56 ARG N N 459 130.790 130.790 123.379 7.411 17858 3204 1 9 . 1 1 56 56 ARG HA H 459 3.875 3.875 4.281 -0.406 17858 3205 1 9 . 1 1 56 56 ARG CA C 459 58.610 58.610 58.030 0.580 17858 3206 1 9 . 1 1 56 56 ARG CB C 459 29.566 29.566 30.292 -0.726 17858 3207 1 9 . 1 1 56 56 ARG H H 459 8.601 8.601 8.855 -0.254 17858 3208 1 9 . 1 1 57 57 PHE N N 460 119.175 119.175 118.057 1.118 17858 3209 1 9 . 1 1 57 57 PHE HA H 460 4.560 4.560 4.426 0.134 17858 3210 1 9 . 1 1 57 57 PHE CA C 460 58.367 58.367 58.684 -0.316 17858 3211 1 9 . 1 1 57 57 PHE CB C 460 39.049 39.049 39.916 -0.867 17858 3212 1 9 . 1 1 57 57 PHE H H 460 8.589 8.589 8.004 0.585 17858 3213 1 9 . 1 1 58 58 GLY N N 461 107.317 107.317 106.265 1.052 17858 3214 1 9 . 1 1 58 58 GLY CA C 461 47.253 47.253 45.281 1.972 17858 3215 1 9 . 1 1 58 58 GLY H H 461 7.386 7.386 8.538 -1.152 17858 3216 1 9 . 1 1 59 59 VAL N N 462 120.829 120.829 119.665 1.164 17858 3217 1 9 . 1 1 59 59 VAL HA H 462 3.674 3.674 4.302 -0.628 17858 3218 1 9 . 1 1 59 59 VAL CA C 462 64.142 64.142 62.124 2.018 17858 3219 1 9 . 1 1 59 59 VAL CB C 462 32.275 32.275 31.427 0.848 17858 3220 1 9 . 1 1 59 59 VAL H H 462 8.881 8.881 8.400 0.481 17858 3221 1 9 . 1 1 60 60 ASN N N 463 114.923 114.923 117.333 -2.410 17858 3222 1 9 . 1 1 60 60 ASN HA H 463 4.667 4.667 4.749 -0.082 17858 3223 1 9 . 1 1 60 60 ASN CA C 463 53.316 53.316 53.934 -0.618 17858 3224 1 9 . 1 1 60 60 ASN CB C 463 39.355 39.355 38.889 0.466 17858 3225 1 9 . 1 1 60 60 ASN H H 463 7.819 7.819 8.012 -0.193 17858 3226 1 9 . 1 1 61 61 CYS N N 464 121.670 121.670 121.177 0.493 17858 3227 1 9 . 1 1 61 61 CYS HA H 464 3.770 3.770 3.919 -0.149 17858 3228 1 9 . 1 1 61 61 CYS CA C 464 61.725 61.725 60.131 1.594 17858 3229 1 9 . 1 1 61 61 CYS CB C 464 30.891 30.891 26.534 4.357 17858 3230 1 9 . 1 1 61 61 CYS H H 464 7.049 7.049 8.250 -1.201 17858 3231 1 9 . 1 1 62 62 LYS N N 465 131.072 131.072 126.524 4.548 17858 3232 1 9 . 1 1 62 62 LYS HA H 465 4.312 4.312 4.406 -0.094 17858 3233 1 9 . 1 1 62 62 LYS CA C 465 55.230 55.230 55.948 -0.718 17858 3234 1 9 . 1 1 62 62 LYS CB C 465 32.794 32.794 32.388 0.406 17858 3235 1 9 . 1 1 62 62 LYS H H 465 8.836 8.836 8.311 0.525 17858 3236 1 9 . 1 1 63 63 ASN N N 466 119.130 119.130 117.553 1.577 17858 3237 1 9 . 1 1 63 63 ASN HA H 466 4.596 4.596 4.528 0.068 17858 3238 1 9 . 1 1 63 63 ASN CA C 466 52.210 52.210 51.729 0.481 17858 3239 1 9 . 1 1 63 63 ASN CB C 466 38.827 38.827 39.676 -0.849 17858 3240 1 9 . 1 1 63 63 ASN H H 466 7.660 7.660 7.595 0.065 17858 3241 1 9 . 1 1 64 64 ILE N N 467 125.111 125.111 119.461 5.650 17858 3242 1 9 . 1 1 64 64 ILE HA H 467 3.539 3.539 4.189 -0.650 17858 3243 1 9 . 1 1 64 64 ILE CA C 467 64.493 64.493 61.055 3.438 17858 3244 1 9 . 1 1 64 64 ILE CB C 467 38.068 38.068 38.273 -0.205 17858 3245 1 9 . 1 1 64 64 ILE H H 467 8.475 8.475 7.779 0.696 17858 3246 1 9 . 1 1 65 65 TYR N N 468 118.920 118.920 117.410 1.510 17858 3247 1 9 . 1 1 65 65 TYR HA H 468 4.538 4.538 4.778 -0.240 17858 3248 1 9 . 1 1 65 65 TYR CA C 468 57.003 57.003 55.209 1.794 17858 3249 1 9 . 1 1 65 65 TYR CB C 468 37.716 37.716 36.814 0.902 17858 3250 1 9 . 1 1 65 65 TYR H H 468 7.462 7.462 7.020 0.442 17858 3251 1 9 . 1 1 66 66 CYS N N 469 122.658 122.658 121.154 1.504 17858 3252 1 9 . 1 1 66 66 CYS HA H 469 4.009 4.009 4.534 -0.525 17858 3253 1 9 . 1 1 66 66 CYS CA C 469 62.039 62.039 58.129 3.910 17858 3254 1 9 . 1 1 66 66 CYS CB C 469 31.455 31.455 28.080 3.375 17858 3255 1 9 . 1 1 66 66 CYS H H 469 7.305 7.305 8.209 -0.904 17858 3256 1 9 . 1 1 67 67 LEU N N 470 130.238 130.238 127.170 3.068 17858 3257 1 9 . 1 1 67 67 LEU HA H 470 4.353 4.353 4.412 -0.059 17858 3258 1 9 . 1 1 67 67 LEU CA C 470 55.947 55.947 54.283 1.664 17858 3259 1 9 . 1 1 67 67 LEU CB C 470 42.125 42.125 41.448 0.677 17858 3260 1 9 . 1 1 67 67 LEU H H 470 9.002 9.002 8.257 0.745 17858 3261 1 9 . 1 1 68 68 PHE N N 471 120.946 120.946 117.951 2.995 17858 3262 1 9 . 1 1 68 68 PHE HA H 471 4.576 4.576 4.494 0.082 17858 3263 1 9 . 1 1 68 68 PHE CA C 471 59.242 59.242 55.587 3.655 17858 3264 1 9 . 1 1 68 68 PHE CB C 471 39.865 39.865 40.630 -0.765 17858 3265 1 9 . 1 1 68 68 PHE H H 471 8.519 8.519 7.014 1.505 17858 3266 1 9 . 1 1 69 69 ARG N N 472 116.975 116.975 120.413 -3.438 17858 3267 1 9 . 1 1 69 69 ARG HA H 472 4.331 4.331 4.322 0.009 17858 3268 1 9 . 1 1 69 69 ARG CA C 472 56.933 56.933 54.619 2.314 17858 3269 1 9 . 1 1 69 69 ARG CB C 472 31.822 31.822 31.386 0.436 17858 3270 1 9 . 1 1 69 69 ARG H H 472 8.417 8.417 8.803 -0.387 17858 3271 1 9 . 1 1 70 70 HIS N N 473 118.809 118.809 123.203 -4.394 17858 3272 1 9 . 1 1 70 70 HIS HA H 473 4.991 4.991 4.810 0.181 17858 3273 1 9 . 1 1 70 70 HIS CA C 473 55.311 55.311 54.259 1.052 17858 3274 1 9 . 1 1 70 70 HIS CB C 473 30.613 30.613 30.675 -0.062 17858 3275 1 9 . 1 1 70 70 HIS H H 473 8.499 8.499 8.399 0.100 17858 3276 1 9 . 1 1 71 71 PRO HA H 474 4.742 4.742 4.580 0.162 17858 3277 1 9 . 1 1 71 71 PRO CA C 474 61.250 61.250 61.981 -0.731 17858 3278 1 9 . 1 1 71 71 PRO CB C 474 30.743 30.743 31.158 -0.415 17858 3279 1 9 . 1 1 72 72 PRO HA H 475 4.279 4.279 4.401 -0.122 17858 3280 1 9 . 1 1 72 72 PRO CA C 475 63.941 63.941 63.344 0.597 17858 3281 1 9 . 1 1 72 72 PRO CB C 475 32.122 32.122 31.418 0.704 17858 3282 1 9 . 1 1 73 73 GLY N N 476 106.525 106.525 112.167 -5.642 17858 3283 1 9 . 1 1 73 73 GLY CA C 476 45.142 45.142 44.854 0.288 17858 3284 1 9 . 1 1 73 73 GLY H H 476 8.359 8.359 8.804 -0.445 17858 3285 1 9 . 1 1 74 74 ARG N N 477 121.516 121.516 119.330 2.186 17858 3286 1 9 . 1 1 74 74 ARG HA H 477 4.223 4.223 4.451 -0.228 17858 3287 1 9 . 1 1 74 74 ARG CA C 477 57.021 57.021 55.616 1.405 17858 3288 1 9 . 1 1 74 74 ARG CB C 477 31.388 31.388 31.486 -0.098 17858 3289 1 9 . 1 1 74 74 ARG H H 477 7.255 7.255 7.733 -0.478 17858 3290 1 9 . 1 1 75 75 VAL N N 478 128.411 128.411 117.576 10.835 17858 3291 1 9 . 1 1 75 75 VAL HA H 478 4.054 4.054 4.220 -0.166 17858 3292 1 9 . 1 1 75 75 VAL CA C 478 61.925 61.925 62.171 -0.246 17858 3293 1 9 . 1 1 75 75 VAL CB C 478 33.788 33.788 33.696 0.092 17858 3294 1 9 . 1 1 75 75 VAL H H 478 8.569 8.569 8.289 0.280 17858 3295 1 9 . 1 1 76 76 LEU N N 479 127.195 127.195 122.002 5.193 17858 3296 1 9 . 1 1 76 76 LEU HA H 479 4.462 4.462 4.810 -0.348 17858 3297 1 9 . 1 1 76 76 LEU CA C 479 52.474 52.474 52.535 -0.061 17858 3298 1 9 . 1 1 76 76 LEU CB C 479 42.068 42.068 44.866 -2.798 17858 3299 1 9 . 1 1 76 76 LEU H H 479 8.338 8.338 8.339 -0.001 17858 3300 1 9 . 1 1 77 77 PRO HA H 480 4.251 4.251 4.429 -0.178 17858 3301 1 9 . 1 1 77 77 PRO CA C 480 63.072 63.072 62.980 0.092 17858 3302 1 9 . 1 1 77 77 PRO CB C 480 32.313 32.313 31.815 0.498 17858 3303 1 9 . 1 1 78 78 GLU N N 481 120.828 120.828 123.647 -2.819 17858 3304 1 9 . 1 1 78 78 GLU HA H 481 4.089 4.089 4.471 -0.382 17858 3305 1 9 . 1 1 78 78 GLU CA C 481 56.521 56.521 55.852 0.669 17858 3306 1 9 . 1 1 78 78 GLU CB C 481 31.032 31.032 31.626 -0.594 17858 3307 1 9 . 1 1 78 78 GLU H H 481 8.328 8.328 8.508 -0.180 17858 3308 1 9 . 1 1 79 79 LYS N N 482 123.778 123.778 124.780 -1.002 17858 3309 1 9 . 1 1 79 79 LYS HA H 482 4.166 4.166 4.568 -0.402 17858 3310 1 9 . 1 1 79 79 LYS CA C 482 56.581 56.581 56.344 0.236 17858 3311 1 9 . 1 1 79 79 LYS CB C 482 33.279 33.279 32.513 0.766 17858 3312 1 9 . 1 1 79 79 LYS H H 482 8.332 8.332 8.641 -0.309 17858 3313 1 10 . 1 1 2 2 PRO HA H 405 4.356 4.356 4.531 -0.175 17858 3314 1 10 . 1 1 2 2 PRO CA C 405 63.329 63.329 62.777 0.552 17858 3315 1 10 . 1 1 2 2 PRO CB C 405 32.603 32.603 32.382 0.221 17858 3316 1 10 . 1 1 3 3 LEU N N 406 122.497 122.497 124.153 -1.656 17858 3317 1 10 . 1 1 3 3 LEU HA H 406 4.231 4.231 4.580 -0.349 17858 3318 1 10 . 1 1 3 3 LEU CA C 406 55.838 55.838 55.148 0.690 17858 3319 1 10 . 1 1 3 3 LEU CB C 406 42.529 42.529 43.641 -1.112 17858 3320 1 10 . 1 1 3 3 LEU H H 406 8.571 8.571 8.294 0.277 17858 3321 1 10 . 1 1 4 4 GLY N N 407 110.132 110.132 111.209 -1.077 17858 3322 1 10 . 1 1 4 4 GLY CA C 407 45.746 45.746 44.615 1.131 17858 3323 1 10 . 1 1 4 4 GLY H H 407 8.504 8.504 8.379 0.125 17858 3324 1 10 . 1 1 5 5 SER N N 408 114.820 114.820 117.450 -2.630 17858 3325 1 10 . 1 1 5 5 SER HA H 408 4.321 4.321 4.546 -0.225 17858 3326 1 10 . 1 1 5 5 SER CA C 408 58.629 58.629 58.312 0.317 17858 3327 1 10 . 1 1 5 5 SER CB C 408 64.171 64.171 64.678 -0.507 17858 3328 1 10 . 1 1 5 5 SER H H 408 8.087 8.087 8.315 -0.228 17858 3329 1 10 . 1 1 6 6 GLU N N 409 122.539 122.539 122.562 -0.023 17858 3330 1 10 . 1 1 6 6 GLU HA H 409 4.137 4.137 4.084 0.053 17858 3331 1 10 . 1 1 6 6 GLU CA C 409 57.076 57.076 57.169 -0.092 17858 3332 1 10 . 1 1 6 6 GLU CB C 409 30.420 30.420 28.691 1.729 17858 3333 1 10 . 1 1 6 6 GLU H H 409 8.483 8.483 8.658 -0.175 17858 3334 1 10 . 1 1 7 7 LYS N N 410 120.141 120.141 119.836 0.305 17858 3335 1 10 . 1 1 7 7 LYS HA H 410 4.332 4.332 4.467 -0.135 17858 3336 1 10 . 1 1 7 7 LYS CA C 410 56.279 56.279 56.006 0.273 17858 3337 1 10 . 1 1 7 7 LYS CB C 410 33.875 33.875 32.816 1.058 17858 3338 1 10 . 1 1 7 7 LYS H H 410 7.997 7.997 8.217 -0.220 17858 3339 1 10 . 1 1 8 8 SER N N 411 114.672 114.672 114.900 -0.228 17858 3340 1 10 . 1 1 8 8 SER HA H 411 4.542 4.542 4.475 0.067 17858 3341 1 10 . 1 1 8 8 SER CA C 411 56.092 56.092 56.710 -0.618 17858 3342 1 10 . 1 1 8 8 SER CB C 411 65.009 65.009 64.553 0.456 17858 3343 1 10 . 1 1 8 8 SER H H 411 8.214 8.214 7.697 0.517 17858 3344 1 10 . 1 1 9 9 LEU N N 412 122.535 122.535 122.521 0.014 17858 3345 1 10 . 1 1 9 9 LEU HA H 412 3.938 3.938 4.530 -0.592 17858 3346 1 10 . 1 1 9 9 LEU CA C 412 55.495 55.495 53.520 1.974 17858 3347 1 10 . 1 1 9 9 LEU CB C 412 42.864 42.864 40.092 2.772 17858 3348 1 10 . 1 1 9 9 LEU H H 412 8.487 8.487 8.513 -0.026 17858 3349 1 10 . 1 1 10 10 GLU N N 413 121.582 121.582 118.343 3.239 17858 3350 1 10 . 1 1 10 10 GLU HA H 413 3.804 3.804 4.533 -0.729 17858 3351 1 10 . 1 1 10 10 GLU CA C 413 57.749 57.749 55.309 2.441 17858 3352 1 10 . 1 1 10 10 GLU CB C 413 29.807 29.807 31.875 -2.068 17858 3353 1 10 . 1 1 10 10 GLU H H 413 8.483 8.483 7.440 1.043 17858 3354 1 10 . 1 1 11 11 GLN N N 414 124.052 124.052 118.818 5.234 17858 3355 1 10 . 1 1 11 11 GLN HA H 414 3.768 3.768 4.790 -1.022 17858 3356 1 10 . 1 1 11 11 GLN CA C 414 55.415 55.415 54.775 0.640 17858 3357 1 10 . 1 1 11 11 GLN CB C 414 29.918 29.918 31.675 -1.757 17858 3358 1 10 . 1 1 11 11 GLN H H 414 8.475 8.475 8.564 -0.089 17858 3359 1 10 . 1 1 12 12 CYS N N 415 129.067 129.067 124.225 4.842 17858 3360 1 10 . 1 1 12 12 CYS HA H 415 3.668 3.668 4.221 -0.553 17858 3361 1 10 . 1 1 12 12 CYS CA C 415 61.173 61.173 60.714 0.459 17858 3362 1 10 . 1 1 12 12 CYS CB C 415 30.342 30.342 28.446 1.896 17858 3363 1 10 . 1 1 12 12 CYS H H 415 9.290 9.290 8.359 0.931 17858 3364 1 10 . 1 1 13 13 LYS N N 416 129.282 129.282 121.495 7.787 17858 3365 1 10 . 1 1 13 13 LYS HA H 416 3.814 3.814 4.807 -0.993 17858 3366 1 10 . 1 1 13 13 LYS CA C 416 58.772 58.772 56.836 1.936 17858 3367 1 10 . 1 1 13 13 LYS CB C 416 32.186 32.186 32.229 -0.043 17858 3368 1 10 . 1 1 13 13 LYS H H 416 8.623 8.623 8.838 -0.215 17858 3369 1 10 . 1 1 14 14 PHE N N 417 119.338 119.338 117.873 1.465 17858 3370 1 10 . 1 1 14 14 PHE HA H 417 4.613 4.613 4.709 -0.096 17858 3371 1 10 . 1 1 14 14 PHE CA C 417 58.971 58.971 58.494 0.477 17858 3372 1 10 . 1 1 14 14 PHE CB C 417 39.352 39.352 40.221 -0.869 17858 3373 1 10 . 1 1 14 14 PHE H H 417 8.603 8.603 7.663 0.940 17858 3374 1 10 . 1 1 15 15 GLY N N 418 107.206 107.206 109.025 -1.819 17858 3375 1 10 . 1 1 15 15 GLY CA C 418 47.937 47.937 46.562 1.375 17858 3376 1 10 . 1 1 15 15 GLY H H 418 7.472 7.472 8.457 -0.985 17858 3377 1 10 . 1 1 16 16 THR N N 419 117.234 117.234 116.792 0.442 17858 3378 1 10 . 1 1 16 16 THR HA H 419 4.002 4.002 4.523 -0.521 17858 3379 1 10 . 1 1 16 16 THR CA C 419 63.842 63.842 62.106 1.736 17858 3380 1 10 . 1 1 16 16 THR CB C 419 68.778 68.778 67.985 0.793 17858 3381 1 10 . 1 1 16 16 THR H H 419 8.740 8.740 8.410 0.330 17858 3382 1 10 . 1 1 17 17 HIS N N 420 118.028 118.028 120.749 -2.721 17858 3383 1 10 . 1 1 17 17 HIS HA H 420 4.581 4.581 4.541 0.040 17858 3384 1 10 . 1 1 17 17 HIS CA C 420 55.612 55.612 56.582 -0.970 17858 3385 1 10 . 1 1 17 17 HIS CB C 420 29.751 29.751 30.807 -1.056 17858 3386 1 10 . 1 1 17 17 HIS H H 420 8.059 8.059 7.983 0.076 17858 3387 1 10 . 1 1 18 18 CYS N N 421 122.824 122.824 121.138 1.686 17858 3388 1 10 . 1 1 18 18 CYS HA H 421 3.849 3.849 4.597 -0.748 17858 3389 1 10 . 1 1 18 18 CYS CA C 421 61.733 61.733 58.869 2.864 17858 3390 1 10 . 1 1 18 18 CYS CB C 421 30.570 30.570 26.750 3.820 17858 3391 1 10 . 1 1 18 18 CYS H H 421 7.288 7.288 8.506 -1.218 17858 3392 1 10 . 1 1 19 19 THR N N 422 119.018 119.018 121.432 -2.414 17858 3393 1 10 . 1 1 19 19 THR HA H 422 4.348 4.348 4.507 -0.159 17858 3394 1 10 . 1 1 19 19 THR CA C 422 61.292 61.292 60.968 0.325 17858 3395 1 10 . 1 1 19 19 THR CB C 422 69.612 69.612 68.329 1.284 17858 3396 1 10 . 1 1 19 19 THR H H 422 8.435 8.435 8.308 0.127 17858 3397 1 10 . 1 1 20 20 ASN N N 423 121.923 121.923 119.790 2.133 17858 3398 1 10 . 1 1 20 20 ASN HA H 423 4.690 4.690 4.847 -0.157 17858 3399 1 10 . 1 1 20 20 ASN CA C 423 52.203 52.203 52.378 -0.175 17858 3400 1 10 . 1 1 20 20 ASN CB C 423 38.747 38.747 40.795 -2.048 17858 3401 1 10 . 1 1 20 20 ASN H H 423 7.924 7.924 7.993 -0.069 17858 3402 1 10 . 1 1 21 21 LYS N N 424 127.775 127.775 122.170 5.605 17858 3403 1 10 . 1 1 21 21 LYS HA H 424 3.922 3.922 4.332 -0.410 17858 3404 1 10 . 1 1 21 21 LYS CA C 424 58.647 58.647 57.682 0.965 17858 3405 1 10 . 1 1 21 21 LYS CB C 424 32.289 32.289 32.896 -0.607 17858 3406 1 10 . 1 1 21 21 LYS H H 424 9.094 9.094 8.595 0.499 17858 3407 1 10 . 1 1 22 22 ARG N N 425 116.206 116.206 116.803 -0.597 17858 3408 1 10 . 1 1 22 22 ARG HA H 425 4.270 4.270 4.553 -0.283 17858 3409 1 10 . 1 1 22 22 ARG CA C 425 54.832 54.832 55.154 -0.322 17858 3410 1 10 . 1 1 22 22 ARG CB C 425 29.549 29.549 29.314 0.235 17858 3411 1 10 . 1 1 22 22 ARG H H 425 7.825 7.825 7.699 0.126 17858 3412 1 10 . 1 1 23 23 CYS N N 426 123.387 123.387 121.322 2.065 17858 3413 1 10 . 1 1 23 23 CYS HA H 426 3.867 3.867 4.531 -0.664 17858 3414 1 10 . 1 1 23 23 CYS CA C 426 62.205 62.205 60.369 1.836 17858 3415 1 10 . 1 1 23 23 CYS CB C 426 30.940 30.940 28.872 2.068 17858 3416 1 10 . 1 1 23 23 CYS H H 426 7.273 7.273 8.457 -1.184 17858 3417 1 10 . 1 1 24 24 LYS N N 427 128.443 128.443 128.431 0.012 17858 3418 1 10 . 1 1 24 24 LYS HA H 427 4.299 4.299 4.176 0.123 17858 3419 1 10 . 1 1 24 24 LYS CA C 427 57.047 57.047 55.128 1.919 17858 3420 1 10 . 1 1 24 24 LYS CB C 427 33.275 33.275 31.815 1.460 17858 3421 1 10 . 1 1 24 24 LYS H H 427 8.525 8.525 8.504 0.021 17858 3422 1 10 . 1 1 25 25 TYR N N 428 123.059 123.059 116.408 6.651 17858 3423 1 10 . 1 1 25 25 TYR HA H 428 4.569 4.569 4.515 0.054 17858 3424 1 10 . 1 1 25 25 TYR CA C 428 58.470 58.470 56.871 1.599 17858 3425 1 10 . 1 1 25 25 TYR CB C 428 39.830 39.830 41.417 -1.587 17858 3426 1 10 . 1 1 25 25 TYR H H 428 8.066 8.066 7.197 0.869 17858 3427 1 10 . 1 1 26 26 ARG N N 429 116.840 116.840 117.614 -0.774 17858 3428 1 10 . 1 1 26 26 ARG HA H 429 4.429 4.429 4.524 -0.095 17858 3429 1 10 . 1 1 26 26 ARG CA C 429 58.979 58.979 55.196 3.784 17858 3430 1 10 . 1 1 26 26 ARG CB C 429 33.073 33.073 31.939 1.134 17858 3431 1 10 . 1 1 26 26 ARG H H 429 8.275 8.275 8.330 -0.055 17858 3432 1 10 . 1 1 27 27 HIS N N 430 117.522 117.522 119.019 -1.497 17858 3433 1 10 . 1 1 27 27 HIS HA H 430 4.553 4.553 4.905 -0.352 17858 3434 1 10 . 1 1 27 27 HIS CA C 430 56.912 56.912 55.038 1.874 17858 3435 1 10 . 1 1 27 27 HIS CB C 430 30.715 30.715 33.727 -3.011 17858 3436 1 10 . 1 1 27 27 HIS H H 430 8.154 8.154 8.782 -0.628 17858 3437 1 10 . 1 1 28 28 ALA N N 431 126.087 126.087 126.467 -0.380 17858 3438 1 10 . 1 1 28 28 ALA HA H 431 4.106 4.106 4.558 -0.452 17858 3439 1 10 . 1 1 28 28 ALA CA C 431 51.833 51.833 51.955 -0.122 17858 3440 1 10 . 1 1 28 28 ALA CB C 431 18.291 18.291 19.571 -1.280 17858 3441 1 10 . 1 1 28 28 ALA H H 431 8.061 8.061 8.748 -0.687 17858 3442 1 10 . 1 1 29 29 ARG N N 432 121.538 121.538 122.507 -0.969 17858 3443 1 10 . 1 1 29 29 ARG HA H 432 4.280 4.280 4.593 -0.313 17858 3444 1 10 . 1 1 29 29 ARG CA C 432 55.492 55.492 56.066 -0.573 17858 3445 1 10 . 1 1 29 29 ARG CB C 432 31.353 31.353 30.495 0.858 17858 3446 1 10 . 1 1 29 29 ARG H H 432 8.630 8.630 8.892 -0.262 17858 3447 1 10 . 1 1 30 30 SER N N 433 112.439 112.439 114.099 -1.660 17858 3448 1 10 . 1 1 30 30 SER HA H 433 4.463 4.463 4.439 0.024 17858 3449 1 10 . 1 1 30 30 SER CA C 433 56.566 56.566 57.334 -0.768 17858 3450 1 10 . 1 1 30 30 SER CB C 433 64.803 64.803 64.311 0.492 17858 3451 1 10 . 1 1 30 30 SER H H 433 7.450 7.450 7.752 -0.302 17858 3452 1 10 . 1 1 31 31 HIS N N 434 121.494 121.494 118.239 3.255 17858 3453 1 10 . 1 1 31 31 HIS HA H 434 4.279 4.279 4.542 -0.263 17858 3454 1 10 . 1 1 31 31 HIS CA C 434 56.955 56.955 55.141 1.814 17858 3455 1 10 . 1 1 31 31 HIS CB C 434 29.834 29.834 28.849 0.985 17858 3456 1 10 . 1 1 31 31 HIS H H 434 8.132 8.132 8.336 -0.204 17858 3457 1 10 . 1 1 32 32 ILE N N 435 123.851 123.851 123.529 0.322 17858 3458 1 10 . 1 1 32 32 ILE HA H 435 3.506 3.506 3.857 -0.351 17858 3459 1 10 . 1 1 32 32 ILE CA C 435 61.345 61.345 59.170 2.175 17858 3460 1 10 . 1 1 32 32 ILE CB C 435 37.765 37.765 36.453 1.312 17858 3461 1 10 . 1 1 32 32 ILE H H 435 7.858 7.858 7.964 -0.106 17858 3462 1 10 . 1 1 33 33 MET N N 436 125.294 125.294 124.590 0.704 17858 3463 1 10 . 1 1 33 33 MET HA H 436 4.050 4.050 4.693 -0.643 17858 3464 1 10 . 1 1 33 33 MET CA C 436 54.733 54.733 55.946 -1.213 17858 3465 1 10 . 1 1 33 33 MET CB C 436 31.934 31.934 33.766 -1.832 17858 3466 1 10 . 1 1 33 33 MET H H 436 8.317 8.317 8.353 -0.036 17858 3467 1 10 . 1 1 34 34 CYS N N 437 127.958 127.958 119.167 8.791 17858 3468 1 10 . 1 1 34 34 CYS HA H 437 3.389 3.389 5.076 -1.687 17858 3469 1 10 . 1 1 34 34 CYS CA C 437 61.544 61.544 58.424 3.120 17858 3470 1 10 . 1 1 34 34 CYS CB C 437 31.325 31.325 29.428 1.897 17858 3471 1 10 . 1 1 34 34 CYS H H 437 9.255 9.255 8.416 0.839 17858 3472 1 10 . 1 1 35 35 ARG N N 438 131.582 131.582 126.411 5.171 17858 3473 1 10 . 1 1 35 35 ARG HA H 438 3.887 3.887 4.150 -0.263 17858 3474 1 10 . 1 1 35 35 ARG CA C 438 59.466 59.466 58.952 0.514 17858 3475 1 10 . 1 1 35 35 ARG CB C 438 30.251 30.251 30.074 0.177 17858 3476 1 10 . 1 1 35 35 ARG H H 438 8.645 8.645 9.234 -0.589 17858 3477 1 10 . 1 1 36 36 GLU N N 439 117.530 117.530 118.343 -0.813 17858 3478 1 10 . 1 1 36 36 GLU HA H 439 4.284 4.284 4.337 -0.053 17858 3479 1 10 . 1 1 36 36 GLU CA C 439 57.440 57.440 56.168 1.272 17858 3480 1 10 . 1 1 36 36 GLU CB C 439 30.295 30.295 29.767 0.528 17858 3481 1 10 . 1 1 36 36 GLU H H 439 8.302 8.302 8.148 0.154 17858 3482 1 10 . 1 1 37 37 GLY N N 440 107.589 107.589 108.238 -0.649 17858 3483 1 10 . 1 1 37 37 GLY CA C 440 47.353 47.353 45.730 1.623 17858 3484 1 10 . 1 1 37 37 GLY H H 440 7.518 7.518 7.974 -0.456 17858 3485 1 10 . 1 1 38 38 ALA N N 441 126.673 126.673 125.528 1.145 17858 3486 1 10 . 1 1 38 38 ALA HA H 441 4.180 4.180 4.161 0.019 17858 3487 1 10 . 1 1 38 38 ALA CA C 441 53.717 53.717 52.846 0.871 17858 3488 1 10 . 1 1 38 38 ALA CB C 441 19.127 19.127 18.440 0.687 17858 3489 1 10 . 1 1 38 38 ALA H H 441 9.114 9.114 8.460 0.654 17858 3490 1 10 . 1 1 39 39 ASN N N 442 113.951 113.951 116.172 -2.221 17858 3491 1 10 . 1 1 39 39 ASN HA H 442 4.655 4.655 4.723 -0.068 17858 3492 1 10 . 1 1 39 39 ASN CA C 442 52.940 52.940 53.047 -0.108 17858 3493 1 10 . 1 1 39 39 ASN CB C 442 39.264 39.264 39.302 -0.038 17858 3494 1 10 . 1 1 39 39 ASN H H 442 8.072 8.072 7.745 0.327 17858 3495 1 10 . 1 1 40 40 CYS N N 443 122.245 122.245 119.565 2.680 17858 3496 1 10 . 1 1 40 40 CYS HA H 443 4.070 4.070 4.334 -0.264 17858 3497 1 10 . 1 1 40 40 CYS CA C 443 60.661 60.661 60.252 0.409 17858 3498 1 10 . 1 1 40 40 CYS CB C 443 31.037 31.037 27.348 3.689 17858 3499 1 10 . 1 1 40 40 CYS H H 443 7.237 7.237 7.401 -0.164 17858 3500 1 10 . 1 1 41 41 THR N N 444 120.684 120.684 117.937 2.747 17858 3501 1 10 . 1 1 41 41 THR HA H 444 4.411 4.411 4.342 0.069 17858 3502 1 10 . 1 1 41 41 THR CA C 444 61.110 61.110 61.479 -0.369 17858 3503 1 10 . 1 1 41 41 THR CB C 444 68.937 68.937 69.192 -0.255 17858 3504 1 10 . 1 1 41 41 THR H H 444 9.033 9.033 8.308 0.725 17858 3505 1 10 . 1 1 42 42 ARG N N 445 123.977 123.977 121.340 2.637 17858 3506 1 10 . 1 1 42 42 ARG HA H 445 4.329 4.329 4.435 -0.106 17858 3507 1 10 . 1 1 42 42 ARG CA C 445 56.416 56.416 55.368 1.048 17858 3508 1 10 . 1 1 42 42 ARG CB C 445 30.604 30.604 32.627 -2.023 17858 3509 1 10 . 1 1 42 42 ARG H H 445 7.927 7.927 7.512 0.415 17858 3510 1 10 . 1 1 43 43 ILE N N 446 132.203 132.203 122.180 10.023 17858 3511 1 10 . 1 1 43 43 ILE HA H 446 3.609 3.609 4.255 -0.646 17858 3512 1 10 . 1 1 43 43 ILE CA C 446 63.023 63.023 61.306 1.717 17858 3513 1 10 . 1 1 43 43 ILE CB C 446 38.463 38.463 38.560 -0.097 17858 3514 1 10 . 1 1 43 43 ILE H H 446 9.010 9.010 8.530 0.480 17858 3515 1 10 . 1 1 44 44 ASP N N 447 116.309 116.309 119.055 -2.746 17858 3516 1 10 . 1 1 44 44 ASP HA H 447 4.555 4.555 4.733 -0.178 17858 3517 1 10 . 1 1 44 44 ASP CA C 447 52.727 52.727 53.802 -1.075 17858 3518 1 10 . 1 1 44 44 ASP CB C 447 40.177 40.177 39.758 0.419 17858 3519 1 10 . 1 1 44 44 ASP H H 447 8.191 8.191 8.110 0.081 17858 3520 1 10 . 1 1 45 45 CYS N N 448 121.173 121.173 119.874 1.299 17858 3521 1 10 . 1 1 45 45 CYS HA H 448 3.913 3.913 4.507 -0.594 17858 3522 1 10 . 1 1 45 45 CYS CA C 448 62.082 62.082 59.037 3.045 17858 3523 1 10 . 1 1 45 45 CYS CB C 448 31.510 31.510 27.266 4.244 17858 3524 1 10 . 1 1 45 45 CYS H H 448 7.113 7.113 7.883 -0.770 17858 3525 1 10 . 1 1 46 46 LEU N N 449 128.150 128.150 127.963 0.187 17858 3526 1 10 . 1 1 46 46 LEU HA H 449 4.657 4.657 4.756 -0.099 17858 3527 1 10 . 1 1 46 46 LEU CA C 449 55.144 55.144 54.038 1.106 17858 3528 1 10 . 1 1 46 46 LEU CB C 449 43.004 43.004 41.272 1.732 17858 3529 1 10 . 1 1 46 46 LEU H H 449 8.451 8.451 8.542 -0.091 17858 3530 1 10 . 1 1 47 47 PHE N N 450 120.646 120.646 119.745 0.901 17858 3531 1 10 . 1 1 47 47 PHE HA H 450 4.527 4.527 4.845 -0.318 17858 3532 1 10 . 1 1 47 47 PHE CA C 450 58.198 58.198 54.828 3.370 17858 3533 1 10 . 1 1 47 47 PHE CB C 450 39.901 39.901 41.110 -1.209 17858 3534 1 10 . 1 1 47 47 PHE H H 450 8.390 8.390 7.254 1.136 17858 3535 1 10 . 1 1 48 48 GLY N N 451 104.118 104.118 108.954 -4.836 17858 3536 1 10 . 1 1 48 48 GLY CA C 451 47.675 47.675 44.771 2.904 17858 3537 1 10 . 1 1 48 48 GLY H H 451 8.643 8.643 8.327 0.316 17858 3538 1 10 . 1 1 49 49 HIS N N 452 119.710 119.710 124.305 -4.595 17858 3539 1 10 . 1 1 49 49 HIS HA H 452 4.725 4.725 4.822 -0.096 17858 3540 1 10 . 1 1 49 49 HIS CA C 452 54.408 54.408 52.517 1.891 17858 3541 1 10 . 1 1 49 49 HIS CB C 452 29.515 29.515 31.897 -2.382 17858 3542 1 10 . 1 1 49 49 HIS H H 452 6.951 6.951 8.097 -1.146 17858 3543 1 10 . 1 1 50 50 PRO HA H 453 4.291 4.291 4.410 -0.119 17858 3544 1 10 . 1 1 50 50 PRO CA C 453 63.872 63.872 63.102 0.770 17858 3545 1 10 . 1 1 50 50 PRO CB C 453 32.724 32.724 32.817 -0.093 17858 3546 1 10 . 1 1 51 51 ILE N N 454 122.942 122.942 118.453 4.489 17858 3547 1 10 . 1 1 51 51 ILE HA H 454 3.787 3.787 4.277 -0.490 17858 3548 1 10 . 1 1 51 51 ILE CA C 454 61.010 61.010 59.884 1.126 17858 3549 1 10 . 1 1 51 51 ILE CB C 454 40.204 40.204 42.880 -2.675 17858 3550 1 10 . 1 1 51 51 ILE H H 454 8.189 8.189 7.880 0.309 17858 3551 1 10 . 1 1 52 52 ASN N N 455 128.496 128.496 124.978 3.518 17858 3552 1 10 . 1 1 52 52 ASN HA H 455 4.641 4.641 4.651 -0.010 17858 3553 1 10 . 1 1 52 52 ASN CA C 455 52.832 52.832 54.230 -1.398 17858 3554 1 10 . 1 1 52 52 ASN CB C 455 36.969 36.969 38.606 -1.637 17858 3555 1 10 . 1 1 52 52 ASN H H 455 8.791 8.791 8.743 0.048 17858 3556 1 10 . 1 1 53 53 GLU N N 456 120.059 120.059 122.124 -2.065 17858 3557 1 10 . 1 1 53 53 GLU HA H 456 4.318 4.318 4.491 -0.173 17858 3558 1 10 . 1 1 53 53 GLU CA C 456 55.588 55.588 54.828 0.760 17858 3559 1 10 . 1 1 53 53 GLU CB C 456 33.826 33.826 34.282 -0.456 17858 3560 1 10 . 1 1 53 53 GLU H H 456 8.177 8.177 8.160 0.017 17858 3561 1 10 . 1 1 54 54 ASP N N 457 124.404 124.404 122.522 1.882 17858 3562 1 10 . 1 1 54 54 ASP HA H 457 4.446 4.446 5.273 -0.827 17858 3563 1 10 . 1 1 54 54 ASP CA C 457 55.594 55.594 53.710 1.884 17858 3564 1 10 . 1 1 54 54 ASP CB C 457 41.033 41.033 41.511 -0.478 17858 3565 1 10 . 1 1 54 54 ASP H H 457 8.923 8.923 8.417 0.506 17858 3566 1 10 . 1 1 55 55 CYS N N 458 125.765 125.765 123.838 1.927 17858 3567 1 10 . 1 1 55 55 CYS HA H 458 3.360 3.360 4.298 -0.938 17858 3568 1 10 . 1 1 55 55 CYS CA C 458 61.284 61.284 59.897 1.387 17858 3569 1 10 . 1 1 55 55 CYS CB C 458 31.125 31.125 29.247 1.878 17858 3570 1 10 . 1 1 55 55 CYS H H 458 9.113 9.113 8.028 1.085 17858 3571 1 10 . 1 1 56 56 ARG N N 459 130.790 130.790 124.150 6.640 17858 3572 1 10 . 1 1 56 56 ARG HA H 459 3.875 3.875 4.189 -0.314 17858 3573 1 10 . 1 1 56 56 ARG CA C 459 58.610 58.610 57.899 0.711 17858 3574 1 10 . 1 1 56 56 ARG CB C 459 29.566 29.566 29.760 -0.194 17858 3575 1 10 . 1 1 56 56 ARG H H 459 8.601 8.601 8.660 -0.059 17858 3576 1 10 . 1 1 57 57 PHE N N 460 119.175 119.175 118.924 0.251 17858 3577 1 10 . 1 1 57 57 PHE HA H 460 4.560 4.560 4.398 0.162 17858 3578 1 10 . 1 1 57 57 PHE CA C 460 58.367 58.367 59.123 -0.756 17858 3579 1 10 . 1 1 57 57 PHE CB C 460 39.049 39.049 39.955 -0.906 17858 3580 1 10 . 1 1 57 57 PHE H H 460 8.589 8.589 7.790 0.799 17858 3581 1 10 . 1 1 58 58 GLY N N 461 107.317 107.317 106.117 1.200 17858 3582 1 10 . 1 1 58 58 GLY CA C 461 47.253 47.253 45.314 1.939 17858 3583 1 10 . 1 1 58 58 GLY H H 461 7.386 7.386 8.528 -1.142 17858 3584 1 10 . 1 1 59 59 VAL N N 462 120.829 120.829 119.772 1.057 17858 3585 1 10 . 1 1 59 59 VAL HA H 462 3.674 3.674 4.297 -0.623 17858 3586 1 10 . 1 1 59 59 VAL CA C 462 64.142 64.142 62.001 2.141 17858 3587 1 10 . 1 1 59 59 VAL CB C 462 32.275 32.275 31.380 0.895 17858 3588 1 10 . 1 1 59 59 VAL H H 462 8.881 8.881 8.394 0.487 17858 3589 1 10 . 1 1 60 60 ASN N N 463 114.923 114.923 117.490 -2.567 17858 3590 1 10 . 1 1 60 60 ASN HA H 463 4.667 4.667 4.684 -0.017 17858 3591 1 10 . 1 1 60 60 ASN CA C 463 53.316 53.316 53.805 -0.489 17858 3592 1 10 . 1 1 60 60 ASN CB C 463 39.355 39.355 38.800 0.555 17858 3593 1 10 . 1 1 60 60 ASN H H 463 7.819 7.819 7.968 -0.149 17858 3594 1 10 . 1 1 61 61 CYS N N 464 121.670 121.670 121.635 0.035 17858 3595 1 10 . 1 1 61 61 CYS HA H 464 3.770 3.770 3.884 -0.114 17858 3596 1 10 . 1 1 61 61 CYS CA C 464 61.725 61.725 59.447 2.278 17858 3597 1 10 . 1 1 61 61 CYS CB C 464 30.891 30.891 26.701 4.190 17858 3598 1 10 . 1 1 61 61 CYS H H 464 7.049 7.049 8.041 -0.992 17858 3599 1 10 . 1 1 62 62 LYS N N 465 131.072 131.072 126.671 4.401 17858 3600 1 10 . 1 1 62 62 LYS HA H 465 4.312 4.312 4.353 -0.041 17858 3601 1 10 . 1 1 62 62 LYS CA C 465 55.230 55.230 55.916 -0.686 17858 3602 1 10 . 1 1 62 62 LYS CB C 465 32.794 32.794 32.266 0.528 17858 3603 1 10 . 1 1 62 62 LYS H H 465 8.836 8.836 8.203 0.633 17858 3604 1 10 . 1 1 63 63 ASN N N 466 119.130 119.130 117.537 1.593 17858 3605 1 10 . 1 1 63 63 ASN HA H 466 4.596 4.596 4.528 0.068 17858 3606 1 10 . 1 1 63 63 ASN CA C 466 52.210 52.210 51.995 0.215 17858 3607 1 10 . 1 1 63 63 ASN CB C 466 38.827 38.827 40.036 -1.209 17858 3608 1 10 . 1 1 63 63 ASN H H 466 7.660 7.660 7.550 0.110 17858 3609 1 10 . 1 1 64 64 ILE N N 467 125.111 125.111 118.558 6.553 17858 3610 1 10 . 1 1 64 64 ILE HA H 467 3.539 3.539 4.211 -0.672 17858 3611 1 10 . 1 1 64 64 ILE CA C 467 64.493 64.493 60.827 3.666 17858 3612 1 10 . 1 1 64 64 ILE CB C 467 38.068 38.068 38.488 -0.420 17858 3613 1 10 . 1 1 64 64 ILE H H 467 8.475 8.475 7.703 0.772 17858 3614 1 10 . 1 1 65 65 TYR N N 468 118.920 118.920 117.508 1.412 17858 3615 1 10 . 1 1 65 65 TYR HA H 468 4.538 4.538 4.787 -0.249 17858 3616 1 10 . 1 1 65 65 TYR CA C 468 57.003 57.003 55.174 1.829 17858 3617 1 10 . 1 1 65 65 TYR CB C 468 37.716 37.716 36.832 0.884 17858 3618 1 10 . 1 1 65 65 TYR H H 468 7.462 7.462 7.082 0.380 17858 3619 1 10 . 1 1 66 66 CYS N N 469 122.658 122.658 121.456 1.202 17858 3620 1 10 . 1 1 66 66 CYS HA H 469 4.009 4.009 4.564 -0.555 17858 3621 1 10 . 1 1 66 66 CYS CA C 469 62.039 62.039 58.098 3.941 17858 3622 1 10 . 1 1 66 66 CYS CB C 469 31.455 31.455 28.492 2.963 17858 3623 1 10 . 1 1 66 66 CYS H H 469 7.305 7.305 8.239 -0.934 17858 3624 1 10 . 1 1 67 67 LEU N N 470 130.238 130.238 126.221 4.017 17858 3625 1 10 . 1 1 67 67 LEU HA H 470 4.353 4.353 4.410 -0.057 17858 3626 1 10 . 1 1 67 67 LEU CA C 470 55.947 55.947 54.026 1.921 17858 3627 1 10 . 1 1 67 67 LEU CB C 470 42.125 42.125 41.448 0.677 17858 3628 1 10 . 1 1 67 67 LEU H H 470 9.002 9.002 8.331 0.671 17858 3629 1 10 . 1 1 68 68 PHE N N 471 120.946 120.946 117.936 3.010 17858 3630 1 10 . 1 1 68 68 PHE HA H 471 4.576 4.576 4.568 0.008 17858 3631 1 10 . 1 1 68 68 PHE CA C 471 59.242 59.242 55.458 3.784 17858 3632 1 10 . 1 1 68 68 PHE CB C 471 39.865 39.865 40.465 -0.600 17858 3633 1 10 . 1 1 68 68 PHE H H 471 8.519 8.519 7.016 1.503 17858 3634 1 10 . 1 1 69 69 ARG N N 472 116.975 116.975 120.818 -3.843 17858 3635 1 10 . 1 1 69 69 ARG HA H 472 4.331 4.331 4.336 -0.005 17858 3636 1 10 . 1 1 69 69 ARG CA C 472 56.933 56.933 54.926 2.007 17858 3637 1 10 . 1 1 69 69 ARG CB C 472 31.822 31.822 31.847 -0.025 17858 3638 1 10 . 1 1 69 69 ARG H H 472 8.417 8.417 8.829 -0.412 17858 3639 1 10 . 1 1 70 70 HIS N N 473 118.809 118.809 122.805 -3.996 17858 3640 1 10 . 1 1 70 70 HIS HA H 473 4.991 4.991 4.829 0.162 17858 3641 1 10 . 1 1 70 70 HIS CA C 473 55.311 55.311 53.726 1.585 17858 3642 1 10 . 1 1 70 70 HIS CB C 473 30.613 30.613 30.548 0.065 17858 3643 1 10 . 1 1 70 70 HIS H H 473 8.499 8.499 8.386 0.113 17858 3644 1 10 . 1 1 71 71 PRO HA H 474 4.742 4.742 4.559 0.183 17858 3645 1 10 . 1 1 71 71 PRO CA C 474 61.250 61.250 62.021 -0.771 17858 3646 1 10 . 1 1 71 71 PRO CB C 474 30.743 30.743 31.253 -0.510 17858 3647 1 10 . 1 1 72 72 PRO HA H 475 4.279 4.279 4.373 -0.094 17858 3648 1 10 . 1 1 72 72 PRO CA C 475 63.941 63.941 63.479 0.462 17858 3649 1 10 . 1 1 72 72 PRO CB C 475 32.122 32.122 31.397 0.725 17858 3650 1 10 . 1 1 73 73 GLY N N 476 106.525 106.525 112.077 -5.552 17858 3651 1 10 . 1 1 73 73 GLY CA C 476 45.142 45.142 44.834 0.308 17858 3652 1 10 . 1 1 73 73 GLY H H 476 8.359 8.359 8.801 -0.442 17858 3653 1 10 . 1 1 74 74 ARG N N 477 121.516 121.516 119.244 2.272 17858 3654 1 10 . 1 1 74 74 ARG HA H 477 4.223 4.223 4.488 -0.265 17858 3655 1 10 . 1 1 74 74 ARG CA C 477 57.021 57.021 55.478 1.543 17858 3656 1 10 . 1 1 74 74 ARG CB C 477 31.388 31.388 31.561 -0.173 17858 3657 1 10 . 1 1 74 74 ARG H H 477 7.255 7.255 7.744 -0.489 17858 3658 1 10 . 1 1 75 75 VAL N N 478 128.411 128.411 118.048 10.363 17858 3659 1 10 . 1 1 75 75 VAL HA H 478 4.054 4.054 4.252 -0.198 17858 3660 1 10 . 1 1 75 75 VAL CA C 478 61.925 61.925 61.074 0.851 17858 3661 1 10 . 1 1 75 75 VAL CB C 478 33.788 33.788 33.288 0.500 17858 3662 1 10 . 1 1 75 75 VAL H H 478 8.569 8.569 8.298 0.271 17858 3663 1 10 . 1 1 76 76 LEU N N 479 127.195 127.195 121.627 5.568 17858 3664 1 10 . 1 1 76 76 LEU HA H 479 4.462 4.462 4.854 -0.392 17858 3665 1 10 . 1 1 76 76 LEU CA C 479 52.474 52.474 52.475 -0.001 17858 3666 1 10 . 1 1 76 76 LEU CB C 479 42.068 42.068 45.258 -3.190 17858 3667 1 10 . 1 1 76 76 LEU H H 479 8.338 8.338 8.477 -0.139 17858 3668 1 10 . 1 1 77 77 PRO HA H 480 4.251 4.251 4.418 -0.167 17858 3669 1 10 . 1 1 77 77 PRO CA C 480 63.072 63.072 63.335 -0.263 17858 3670 1 10 . 1 1 77 77 PRO CB C 480 32.313 32.313 32.072 0.241 17858 3671 1 10 . 1 1 78 78 GLU N N 481 120.828 120.828 121.320 -0.492 17858 3672 1 10 . 1 1 78 78 GLU HA H 481 4.089 4.089 3.949 0.140 17858 3673 1 10 . 1 1 78 78 GLU CA C 481 56.521 56.521 57.114 -0.593 17858 3674 1 10 . 1 1 78 78 GLU CB C 481 31.032 31.032 29.972 1.060 17858 3675 1 10 . 1 1 78 78 GLU H H 481 8.328 8.328 8.520 -0.192 17858 3676 1 10 . 1 1 79 79 LYS N N 482 123.778 123.778 121.124 2.654 17858 3677 1 10 . 1 1 79 79 LYS HA H 482 4.166 4.166 3.976 0.190 17858 3678 1 10 . 1 1 79 79 LYS CA C 482 56.581 56.581 57.316 -0.734 17858 3679 1 10 . 1 1 79 79 LYS CB C 482 33.279 33.279 31.889 1.390 17858 3680 1 10 . 1 1 79 79 LYS H H 482 8.332 8.332 8.436 -0.104 17858 3681 1 11 . 1 1 2 2 PRO HA H 405 4.356 4.356 4.589 -0.233 17858 3682 1 11 . 1 1 2 2 PRO CA C 405 63.329 63.329 62.268 1.061 17858 3683 1 11 . 1 1 2 2 PRO CB C 405 32.603 32.603 32.866 -0.263 17858 3684 1 11 . 1 1 3 3 LEU N N 406 122.497 122.497 117.859 4.638 17858 3685 1 11 . 1 1 3 3 LEU HA H 406 4.231 4.231 4.026 0.205 17858 3686 1 11 . 1 1 3 3 LEU CA C 406 55.838 55.838 55.232 0.606 17858 3687 1 11 . 1 1 3 3 LEU CB C 406 42.529 42.529 40.877 1.653 17858 3688 1 11 . 1 1 3 3 LEU H H 406 8.571 8.571 8.533 0.038 17858 3689 1 11 . 1 1 4 4 GLY N N 407 110.132 110.132 105.498 4.634 17858 3690 1 11 . 1 1 4 4 GLY CA C 407 45.746 45.746 44.492 1.254 17858 3691 1 11 . 1 1 4 4 GLY H H 407 8.504 8.504 7.656 0.848 17858 3692 1 11 . 1 1 5 5 SER N N 408 114.820 114.820 116.785 -1.965 17858 3693 1 11 . 1 1 5 5 SER HA H 408 4.321 4.321 4.776 -0.455 17858 3694 1 11 . 1 1 5 5 SER CA C 408 58.629 58.629 57.114 1.515 17858 3695 1 11 . 1 1 5 5 SER CB C 408 64.171 64.171 64.443 -0.272 17858 3696 1 11 . 1 1 5 5 SER H H 408 8.087 8.087 8.301 -0.214 17858 3697 1 11 . 1 1 6 6 GLU N N 409 122.539 122.539 122.540 -0.001 17858 3698 1 11 . 1 1 6 6 GLU HA H 409 4.137 4.137 4.530 -0.393 17858 3699 1 11 . 1 1 6 6 GLU CA C 409 57.076 57.076 56.403 0.673 17858 3700 1 11 . 1 1 6 6 GLU CB C 409 30.420 30.420 30.207 0.213 17858 3701 1 11 . 1 1 6 6 GLU H H 409 8.483 8.483 8.326 0.157 17858 3702 1 11 . 1 1 7 7 LYS N N 410 120.141 120.141 122.004 -1.863 17858 3703 1 11 . 1 1 7 7 LYS HA H 410 4.332 4.332 4.466 -0.134 17858 3704 1 11 . 1 1 7 7 LYS CA C 410 56.279 56.279 55.972 0.307 17858 3705 1 11 . 1 1 7 7 LYS CB C 410 33.875 33.875 32.532 1.343 17858 3706 1 11 . 1 1 7 7 LYS H H 410 7.997 7.997 8.355 -0.358 17858 3707 1 11 . 1 1 8 8 SER N N 411 114.672 114.672 116.284 -1.612 17858 3708 1 11 . 1 1 8 8 SER HA H 411 4.542 4.542 4.487 0.055 17858 3709 1 11 . 1 1 8 8 SER CA C 411 56.092 56.092 56.989 -0.897 17858 3710 1 11 . 1 1 8 8 SER CB C 411 65.009 65.009 63.649 1.360 17858 3711 1 11 . 1 1 8 8 SER H H 411 8.214 8.214 7.710 0.504 17858 3712 1 11 . 1 1 9 9 LEU N N 412 122.535 122.535 126.847 -4.312 17858 3713 1 11 . 1 1 9 9 LEU HA H 412 3.938 3.938 4.071 -0.133 17858 3714 1 11 . 1 1 9 9 LEU CA C 412 55.495 55.495 56.310 -0.815 17858 3715 1 11 . 1 1 9 9 LEU CB C 412 42.864 42.864 42.295 0.569 17858 3716 1 11 . 1 1 9 9 LEU H H 412 8.487 8.487 8.942 -0.455 17858 3717 1 11 . 1 1 10 10 GLU N N 413 121.582 121.582 117.456 4.126 17858 3718 1 11 . 1 1 10 10 GLU HA H 413 3.804 3.804 4.083 -0.279 17858 3719 1 11 . 1 1 10 10 GLU CA C 413 57.749 57.749 58.077 -0.328 17858 3720 1 11 . 1 1 10 10 GLU CB C 413 29.807 29.807 30.388 -0.581 17858 3721 1 11 . 1 1 10 10 GLU H H 413 8.483 8.483 8.105 0.378 17858 3722 1 11 . 1 1 11 11 GLN N N 414 124.052 124.052 117.431 6.621 17858 3723 1 11 . 1 1 11 11 GLN HA H 414 3.768 3.768 4.623 -0.855 17858 3724 1 11 . 1 1 11 11 GLN CA C 414 55.415 55.415 54.852 0.563 17858 3725 1 11 . 1 1 11 11 GLN CB C 414 29.918 29.918 31.749 -1.831 17858 3726 1 11 . 1 1 11 11 GLN H H 414 8.475 8.475 8.214 0.261 17858 3727 1 11 . 1 1 12 12 CYS N N 415 129.067 129.067 124.748 4.319 17858 3728 1 11 . 1 1 12 12 CYS HA H 415 3.668 3.668 4.223 -0.555 17858 3729 1 11 . 1 1 12 12 CYS CA C 415 61.173 61.173 61.020 0.153 17858 3730 1 11 . 1 1 12 12 CYS CB C 415 30.342 30.342 28.686 1.656 17858 3731 1 11 . 1 1 12 12 CYS H H 415 9.290 9.290 8.378 0.912 17858 3732 1 11 . 1 1 13 13 LYS N N 416 129.282 129.282 122.359 6.923 17858 3733 1 11 . 1 1 13 13 LYS HA H 416 3.814 3.814 4.668 -0.854 17858 3734 1 11 . 1 1 13 13 LYS CA C 416 58.772 58.772 56.582 2.190 17858 3735 1 11 . 1 1 13 13 LYS CB C 416 32.186 32.186 32.008 0.178 17858 3736 1 11 . 1 1 13 13 LYS H H 416 8.623 8.623 8.864 -0.241 17858 3737 1 11 . 1 1 14 14 PHE N N 417 119.338 119.338 118.387 0.951 17858 3738 1 11 . 1 1 14 14 PHE HA H 417 4.613 4.613 4.684 -0.071 17858 3739 1 11 . 1 1 14 14 PHE CA C 417 58.971 58.971 58.703 0.268 17858 3740 1 11 . 1 1 14 14 PHE CB C 417 39.352 39.352 40.609 -1.257 17858 3741 1 11 . 1 1 14 14 PHE H H 417 8.603 8.603 7.805 0.798 17858 3742 1 11 . 1 1 15 15 GLY N N 418 107.206 107.206 108.511 -1.305 17858 3743 1 11 . 1 1 15 15 GLY CA C 418 47.937 47.937 46.366 1.571 17858 3744 1 11 . 1 1 15 15 GLY H H 418 7.472 7.472 8.508 -1.036 17858 3745 1 11 . 1 1 16 16 THR N N 419 117.234 117.234 116.205 1.029 17858 3746 1 11 . 1 1 16 16 THR HA H 419 4.002 4.002 4.331 -0.329 17858 3747 1 11 . 1 1 16 16 THR CA C 419 63.842 63.842 61.962 1.880 17858 3748 1 11 . 1 1 16 16 THR CB C 419 68.778 68.778 69.094 -0.316 17858 3749 1 11 . 1 1 16 16 THR H H 419 8.740 8.740 8.541 0.199 17858 3750 1 11 . 1 1 17 17 HIS N N 420 118.028 118.028 121.442 -3.414 17858 3751 1 11 . 1 1 17 17 HIS HA H 420 4.581 4.581 4.798 -0.217 17858 3752 1 11 . 1 1 17 17 HIS CA C 420 55.612 55.612 55.394 0.218 17858 3753 1 11 . 1 1 17 17 HIS CB C 420 29.751 29.751 29.869 -0.118 17858 3754 1 11 . 1 1 17 17 HIS H H 420 8.059 8.059 7.666 0.393 17858 3755 1 11 . 1 1 18 18 CYS N N 421 122.824 122.824 120.460 2.364 17858 3756 1 11 . 1 1 18 18 CYS HA H 421 3.849 3.849 4.265 -0.416 17858 3757 1 11 . 1 1 18 18 CYS CA C 421 61.733 61.733 59.686 2.047 17858 3758 1 11 . 1 1 18 18 CYS CB C 421 30.570 30.570 26.167 4.403 17858 3759 1 11 . 1 1 18 18 CYS H H 421 7.288 7.288 8.386 -1.098 17858 3760 1 11 . 1 1 19 19 THR N N 422 119.018 119.018 121.319 -2.301 17858 3761 1 11 . 1 1 19 19 THR HA H 422 4.348 4.348 4.359 -0.011 17858 3762 1 11 . 1 1 19 19 THR CA C 422 61.292 61.292 61.077 0.215 17858 3763 1 11 . 1 1 19 19 THR CB C 422 69.612 69.612 68.187 1.425 17858 3764 1 11 . 1 1 19 19 THR H H 422 8.435 8.435 8.108 0.327 17858 3765 1 11 . 1 1 20 20 ASN N N 423 121.923 121.923 120.164 1.759 17858 3766 1 11 . 1 1 20 20 ASN HA H 423 4.690 4.690 4.741 -0.051 17858 3767 1 11 . 1 1 20 20 ASN CA C 423 52.203 52.203 52.930 -0.727 17858 3768 1 11 . 1 1 20 20 ASN CB C 423 38.747 38.747 40.965 -2.218 17858 3769 1 11 . 1 1 20 20 ASN H H 423 7.924 7.924 7.890 0.034 17858 3770 1 11 . 1 1 21 21 LYS N N 424 127.775 127.775 123.481 4.294 17858 3771 1 11 . 1 1 21 21 LYS HA H 424 3.922 3.922 4.277 -0.355 17858 3772 1 11 . 1 1 21 21 LYS CA C 424 58.647 58.647 56.270 2.377 17858 3773 1 11 . 1 1 21 21 LYS CB C 424 32.289 32.289 32.389 -0.100 17858 3774 1 11 . 1 1 21 21 LYS H H 424 9.094 9.094 8.628 0.466 17858 3775 1 11 . 1 1 22 22 ARG N N 425 116.206 116.206 121.484 -5.278 17858 3776 1 11 . 1 1 22 22 ARG HA H 425 4.270 4.270 3.993 0.277 17858 3777 1 11 . 1 1 22 22 ARG CA C 425 54.832 54.832 56.408 -1.576 17858 3778 1 11 . 1 1 22 22 ARG CB C 425 29.549 29.549 27.120 2.429 17858 3779 1 11 . 1 1 22 22 ARG H H 425 7.825 7.825 8.538 -0.713 17858 3780 1 11 . 1 1 23 23 CYS N N 426 123.387 123.387 119.019 4.368 17858 3781 1 11 . 1 1 23 23 CYS HA H 426 3.867 3.867 4.356 -0.489 17858 3782 1 11 . 1 1 23 23 CYS CA C 426 62.205 62.205 60.481 1.724 17858 3783 1 11 . 1 1 23 23 CYS CB C 426 30.940 30.940 29.001 1.939 17858 3784 1 11 . 1 1 23 23 CYS H H 426 7.273 7.273 8.272 -0.999 17858 3785 1 11 . 1 1 24 24 LYS N N 427 128.443 128.443 125.678 2.765 17858 3786 1 11 . 1 1 24 24 LYS HA H 427 4.299 4.299 4.177 0.122 17858 3787 1 11 . 1 1 24 24 LYS CA C 427 57.047 57.047 55.889 1.158 17858 3788 1 11 . 1 1 24 24 LYS CB C 427 33.275 33.275 31.610 1.665 17858 3789 1 11 . 1 1 24 24 LYS H H 427 8.525 8.525 8.586 -0.061 17858 3790 1 11 . 1 1 25 25 TYR N N 428 123.059 123.059 114.673 8.386 17858 3791 1 11 . 1 1 25 25 TYR HA H 428 4.569 4.569 4.701 -0.132 17858 3792 1 11 . 1 1 25 25 TYR CA C 428 58.470 58.470 56.663 1.807 17858 3793 1 11 . 1 1 25 25 TYR CB C 428 39.830 39.830 41.827 -1.997 17858 3794 1 11 . 1 1 25 25 TYR H H 428 8.066 8.066 7.485 0.581 17858 3795 1 11 . 1 1 26 26 ARG N N 429 116.840 116.840 118.280 -1.440 17858 3796 1 11 . 1 1 26 26 ARG HA H 429 4.429 4.429 4.522 -0.093 17858 3797 1 11 . 1 1 26 26 ARG CA C 429 58.979 58.979 54.789 4.189 17858 3798 1 11 . 1 1 26 26 ARG CB C 429 33.073 33.073 32.192 0.881 17858 3799 1 11 . 1 1 26 26 ARG H H 429 8.275 8.275 8.313 -0.038 17858 3800 1 11 . 1 1 27 27 HIS N N 430 117.522 117.522 118.682 -1.160 17858 3801 1 11 . 1 1 27 27 HIS HA H 430 4.553 4.553 4.855 -0.302 17858 3802 1 11 . 1 1 27 27 HIS CA C 430 56.912 56.912 55.194 1.718 17858 3803 1 11 . 1 1 27 27 HIS CB C 430 30.715 30.715 33.890 -3.175 17858 3804 1 11 . 1 1 27 27 HIS H H 430 8.154 8.154 8.777 -0.623 17858 3805 1 11 . 1 1 28 28 ALA N N 431 126.087 126.087 125.609 0.478 17858 3806 1 11 . 1 1 28 28 ALA HA H 431 4.106 4.106 4.552 -0.446 17858 3807 1 11 . 1 1 28 28 ALA CA C 431 51.833 51.833 51.929 -0.096 17858 3808 1 11 . 1 1 28 28 ALA CB C 431 18.291 18.291 19.434 -1.143 17858 3809 1 11 . 1 1 28 28 ALA H H 431 8.061 8.061 8.785 -0.724 17858 3810 1 11 . 1 1 29 29 ARG N N 432 121.538 121.538 122.375 -0.837 17858 3811 1 11 . 1 1 29 29 ARG HA H 432 4.280 4.280 4.621 -0.341 17858 3812 1 11 . 1 1 29 29 ARG CA C 432 55.492 55.492 56.046 -0.554 17858 3813 1 11 . 1 1 29 29 ARG CB C 432 31.353 31.353 30.617 0.736 17858 3814 1 11 . 1 1 29 29 ARG H H 432 8.630 8.630 8.976 -0.346 17858 3815 1 11 . 1 1 30 30 SER N N 433 112.439 112.439 114.179 -1.740 17858 3816 1 11 . 1 1 30 30 SER HA H 433 4.463 4.463 4.438 0.025 17858 3817 1 11 . 1 1 30 30 SER CA C 433 56.566 56.566 57.659 -1.093 17858 3818 1 11 . 1 1 30 30 SER CB C 433 64.803 64.803 64.571 0.232 17858 3819 1 11 . 1 1 30 30 SER H H 433 7.450 7.450 7.671 -0.221 17858 3820 1 11 . 1 1 31 31 HIS N N 434 121.494 121.494 118.317 3.177 17858 3821 1 11 . 1 1 31 31 HIS HA H 434 4.279 4.279 4.421 -0.142 17858 3822 1 11 . 1 1 31 31 HIS CA C 434 56.955 56.955 54.955 2.000 17858 3823 1 11 . 1 1 31 31 HIS CB C 434 29.834 29.834 28.716 1.118 17858 3824 1 11 . 1 1 31 31 HIS H H 434 8.132 8.132 8.358 -0.226 17858 3825 1 11 . 1 1 32 32 ILE N N 435 123.851 123.851 123.577 0.274 17858 3826 1 11 . 1 1 32 32 ILE HA H 435 3.506 3.506 3.872 -0.366 17858 3827 1 11 . 1 1 32 32 ILE CA C 435 61.345 61.345 59.233 2.111 17858 3828 1 11 . 1 1 32 32 ILE CB C 435 37.765 37.765 36.399 1.366 17858 3829 1 11 . 1 1 32 32 ILE H H 435 7.858 7.858 7.978 -0.120 17858 3830 1 11 . 1 1 33 33 MET N N 436 125.294 125.294 124.546 0.748 17858 3831 1 11 . 1 1 33 33 MET HA H 436 4.050 4.050 4.686 -0.636 17858 3832 1 11 . 1 1 33 33 MET CA C 436 54.733 54.733 56.074 -1.341 17858 3833 1 11 . 1 1 33 33 MET CB C 436 31.934 31.934 33.835 -1.901 17858 3834 1 11 . 1 1 33 33 MET H H 436 8.317 8.317 8.347 -0.030 17858 3835 1 11 . 1 1 34 34 CYS N N 437 127.958 127.958 119.385 8.573 17858 3836 1 11 . 1 1 34 34 CYS HA H 437 3.389 3.389 5.099 -1.710 17858 3837 1 11 . 1 1 34 34 CYS CA C 437 61.544 61.544 58.264 3.280 17858 3838 1 11 . 1 1 34 34 CYS CB C 437 31.325 31.325 29.711 1.614 17858 3839 1 11 . 1 1 34 34 CYS H H 437 9.255 9.255 8.394 0.861 17858 3840 1 11 . 1 1 35 35 ARG N N 438 131.582 131.582 126.743 4.839 17858 3841 1 11 . 1 1 35 35 ARG HA H 438 3.887 3.887 4.162 -0.275 17858 3842 1 11 . 1 1 35 35 ARG CA C 438 59.466 59.466 58.837 0.628 17858 3843 1 11 . 1 1 35 35 ARG CB C 438 30.251 30.251 30.129 0.122 17858 3844 1 11 . 1 1 35 35 ARG H H 438 8.645 8.645 9.146 -0.501 17858 3845 1 11 . 1 1 36 36 GLU N N 439 117.530 117.530 118.499 -0.969 17858 3846 1 11 . 1 1 36 36 GLU HA H 439 4.284 4.284 4.302 -0.018 17858 3847 1 11 . 1 1 36 36 GLU CA C 439 57.440 57.440 55.986 1.454 17858 3848 1 11 . 1 1 36 36 GLU CB C 439 30.295 30.295 29.682 0.613 17858 3849 1 11 . 1 1 36 36 GLU H H 439 8.302 8.302 8.225 0.077 17858 3850 1 11 . 1 1 37 37 GLY N N 440 107.589 107.589 108.705 -1.116 17858 3851 1 11 . 1 1 37 37 GLY CA C 440 47.353 47.353 45.750 1.603 17858 3852 1 11 . 1 1 37 37 GLY H H 440 7.518 7.518 8.131 -0.613 17858 3853 1 11 . 1 1 38 38 ALA N N 441 126.673 126.673 125.665 1.008 17858 3854 1 11 . 1 1 38 38 ALA HA H 441 4.180 4.180 4.288 -0.108 17858 3855 1 11 . 1 1 38 38 ALA CA C 441 53.717 53.717 52.965 0.752 17858 3856 1 11 . 1 1 38 38 ALA CB C 441 19.127 19.127 18.660 0.467 17858 3857 1 11 . 1 1 38 38 ALA H H 441 9.114 9.114 8.592 0.522 17858 3858 1 11 . 1 1 39 39 ASN N N 442 113.951 113.951 115.516 -1.565 17858 3859 1 11 . 1 1 39 39 ASN HA H 442 4.655 4.655 4.852 -0.197 17858 3860 1 11 . 1 1 39 39 ASN CA C 442 52.940 52.940 52.992 -0.052 17858 3861 1 11 . 1 1 39 39 ASN CB C 442 39.264 39.264 39.232 0.032 17858 3862 1 11 . 1 1 39 39 ASN H H 442 8.072 8.072 7.720 0.352 17858 3863 1 11 . 1 1 40 40 CYS N N 443 122.245 122.245 119.849 2.396 17858 3864 1 11 . 1 1 40 40 CYS HA H 443 4.070 4.070 4.224 -0.154 17858 3865 1 11 . 1 1 40 40 CYS CA C 443 60.661 60.661 59.987 0.674 17858 3866 1 11 . 1 1 40 40 CYS CB C 443 31.037 31.037 27.881 3.156 17858 3867 1 11 . 1 1 40 40 CYS H H 443 7.237 7.237 7.405 -0.168 17858 3868 1 11 . 1 1 41 41 THR N N 444 120.684 120.684 117.701 2.983 17858 3869 1 11 . 1 1 41 41 THR HA H 444 4.411 4.411 4.340 0.071 17858 3870 1 11 . 1 1 41 41 THR CA C 444 61.110 61.110 61.518 -0.408 17858 3871 1 11 . 1 1 41 41 THR CB C 444 68.937 68.937 68.718 0.219 17858 3872 1 11 . 1 1 41 41 THR H H 444 9.033 9.033 8.292 0.741 17858 3873 1 11 . 1 1 42 42 ARG N N 445 123.977 123.977 121.189 2.788 17858 3874 1 11 . 1 1 42 42 ARG HA H 445 4.329 4.329 4.412 -0.083 17858 3875 1 11 . 1 1 42 42 ARG CA C 445 56.416 56.416 55.482 0.934 17858 3876 1 11 . 1 1 42 42 ARG CB C 445 30.604 30.604 32.649 -2.045 17858 3877 1 11 . 1 1 42 42 ARG H H 445 7.927 7.927 7.536 0.391 17858 3878 1 11 . 1 1 43 43 ILE N N 446 132.203 132.203 122.686 9.517 17858 3879 1 11 . 1 1 43 43 ILE HA H 446 3.609 3.609 4.131 -0.522 17858 3880 1 11 . 1 1 43 43 ILE CA C 446 63.023 63.023 60.969 2.054 17858 3881 1 11 . 1 1 43 43 ILE CB C 446 38.463 38.463 38.299 0.164 17858 3882 1 11 . 1 1 43 43 ILE H H 446 9.010 9.010 8.620 0.390 17858 3883 1 11 . 1 1 44 44 ASP N N 447 116.309 116.309 119.575 -3.266 17858 3884 1 11 . 1 1 44 44 ASP HA H 447 4.555 4.555 4.716 -0.161 17858 3885 1 11 . 1 1 44 44 ASP CA C 447 52.727 52.727 53.986 -1.259 17858 3886 1 11 . 1 1 44 44 ASP CB C 447 40.177 40.177 39.728 0.449 17858 3887 1 11 . 1 1 44 44 ASP H H 447 8.191 8.191 8.131 0.060 17858 3888 1 11 . 1 1 45 45 CYS N N 448 121.173 121.173 119.889 1.284 17858 3889 1 11 . 1 1 45 45 CYS HA H 448 3.913 3.913 4.478 -0.565 17858 3890 1 11 . 1 1 45 45 CYS CA C 448 62.082 62.082 59.019 3.063 17858 3891 1 11 . 1 1 45 45 CYS CB C 448 31.510 31.510 27.293 4.217 17858 3892 1 11 . 1 1 45 45 CYS H H 448 7.113 7.113 7.883 -0.770 17858 3893 1 11 . 1 1 46 46 LEU N N 449 128.150 128.150 127.834 0.316 17858 3894 1 11 . 1 1 46 46 LEU HA H 449 4.657 4.657 4.747 -0.090 17858 3895 1 11 . 1 1 46 46 LEU CA C 449 55.144 55.144 53.948 1.196 17858 3896 1 11 . 1 1 46 46 LEU CB C 449 43.004 43.004 41.219 1.785 17858 3897 1 11 . 1 1 46 46 LEU H H 449 8.451 8.451 8.512 -0.061 17858 3898 1 11 . 1 1 47 47 PHE N N 450 120.646 120.646 119.740 0.906 17858 3899 1 11 . 1 1 47 47 PHE HA H 450 4.527 4.527 4.852 -0.325 17858 3900 1 11 . 1 1 47 47 PHE CA C 450 58.198 58.198 54.626 3.572 17858 3901 1 11 . 1 1 47 47 PHE CB C 450 39.901 39.901 40.805 -0.904 17858 3902 1 11 . 1 1 47 47 PHE H H 450 8.390 8.390 7.221 1.169 17858 3903 1 11 . 1 1 48 48 GLY N N 451 104.118 104.118 109.001 -4.883 17858 3904 1 11 . 1 1 48 48 GLY CA C 451 47.675 47.675 44.867 2.808 17858 3905 1 11 . 1 1 48 48 GLY H H 451 8.643 8.643 8.314 0.329 17858 3906 1 11 . 1 1 49 49 HIS N N 452 119.710 119.710 125.262 -5.552 17858 3907 1 11 . 1 1 49 49 HIS HA H 452 4.725 4.725 4.779 -0.054 17858 3908 1 11 . 1 1 49 49 HIS CA C 452 54.408 54.408 52.634 1.774 17858 3909 1 11 . 1 1 49 49 HIS CB C 452 29.515 29.515 31.699 -2.184 17858 3910 1 11 . 1 1 49 49 HIS H H 452 6.951 6.951 8.038 -1.087 17858 3911 1 11 . 1 1 50 50 PRO HA H 453 4.291 4.291 4.379 -0.088 17858 3912 1 11 . 1 1 50 50 PRO CA C 453 63.872 63.872 63.078 0.794 17858 3913 1 11 . 1 1 50 50 PRO CB C 453 32.724 32.724 32.687 0.037 17858 3914 1 11 . 1 1 51 51 ILE N N 454 122.942 122.942 118.684 4.258 17858 3915 1 11 . 1 1 51 51 ILE HA H 454 3.787 3.787 4.243 -0.456 17858 3916 1 11 . 1 1 51 51 ILE CA C 454 61.010 61.010 60.256 0.754 17858 3917 1 11 . 1 1 51 51 ILE CB C 454 40.204 40.204 42.892 -2.688 17858 3918 1 11 . 1 1 51 51 ILE H H 454 8.189 8.189 7.939 0.250 17858 3919 1 11 . 1 1 52 52 ASN N N 455 128.496 128.496 124.221 4.275 17858 3920 1 11 . 1 1 52 52 ASN HA H 455 4.641 4.641 4.647 -0.006 17858 3921 1 11 . 1 1 52 52 ASN CA C 455 52.832 52.832 54.046 -1.214 17858 3922 1 11 . 1 1 52 52 ASN CB C 455 36.969 36.969 37.986 -1.017 17858 3923 1 11 . 1 1 52 52 ASN H H 455 8.791 8.791 8.553 0.238 17858 3924 1 11 . 1 1 53 53 GLU N N 456 120.059 120.059 124.285 -4.226 17858 3925 1 11 . 1 1 53 53 GLU HA H 456 4.318 4.318 4.507 -0.189 17858 3926 1 11 . 1 1 53 53 GLU CA C 456 55.588 55.588 55.210 0.378 17858 3927 1 11 . 1 1 53 53 GLU CB C 456 33.826 33.826 33.954 -0.128 17858 3928 1 11 . 1 1 53 53 GLU H H 456 8.177 8.177 8.062 0.115 17858 3929 1 11 . 1 1 54 54 ASP N N 457 124.404 124.404 122.635 1.769 17858 3930 1 11 . 1 1 54 54 ASP HA H 457 4.446 4.446 5.173 -0.727 17858 3931 1 11 . 1 1 54 54 ASP CA C 457 55.594 55.594 53.132 2.462 17858 3932 1 11 . 1 1 54 54 ASP CB C 457 41.033 41.033 41.828 -0.795 17858 3933 1 11 . 1 1 54 54 ASP H H 457 8.923 8.923 8.361 0.562 17858 3934 1 11 . 1 1 55 55 CYS N N 458 125.765 125.765 123.502 2.263 17858 3935 1 11 . 1 1 55 55 CYS HA H 458 3.360 3.360 4.256 -0.896 17858 3936 1 11 . 1 1 55 55 CYS CA C 458 61.284 61.284 59.614 1.670 17858 3937 1 11 . 1 1 55 55 CYS CB C 458 31.125 31.125 29.134 1.991 17858 3938 1 11 . 1 1 55 55 CYS H H 458 9.113 9.113 8.026 1.087 17858 3939 1 11 . 1 1 56 56 ARG N N 459 130.790 130.790 123.663 7.127 17858 3940 1 11 . 1 1 56 56 ARG HA H 459 3.875 3.875 4.114 -0.239 17858 3941 1 11 . 1 1 56 56 ARG CA C 459 58.610 58.610 57.856 0.754 17858 3942 1 11 . 1 1 56 56 ARG CB C 459 29.566 29.566 29.676 -0.110 17858 3943 1 11 . 1 1 56 56 ARG H H 459 8.601 8.601 8.447 0.154 17858 3944 1 11 . 1 1 57 57 PHE N N 460 119.175 119.175 118.313 0.862 17858 3945 1 11 . 1 1 57 57 PHE HA H 460 4.560 4.560 4.497 0.063 17858 3946 1 11 . 1 1 57 57 PHE CA C 460 58.367 58.367 58.403 -0.036 17858 3947 1 11 . 1 1 57 57 PHE CB C 460 39.049 39.049 39.691 -0.642 17858 3948 1 11 . 1 1 57 57 PHE H H 460 8.589 8.589 7.724 0.865 17858 3949 1 11 . 1 1 58 58 GLY N N 461 107.317 107.317 106.606 0.711 17858 3950 1 11 . 1 1 58 58 GLY CA C 461 47.253 47.253 45.224 2.029 17858 3951 1 11 . 1 1 58 58 GLY H H 461 7.386 7.386 8.541 -1.155 17858 3952 1 11 . 1 1 59 59 VAL N N 462 120.829 120.829 117.812 3.017 17858 3953 1 11 . 1 1 59 59 VAL HA H 462 3.674 3.674 4.338 -0.664 17858 3954 1 11 . 1 1 59 59 VAL CA C 462 64.142 64.142 62.837 1.305 17858 3955 1 11 . 1 1 59 59 VAL CB C 462 32.275 32.275 32.096 0.179 17858 3956 1 11 . 1 1 59 59 VAL H H 462 8.881 8.881 8.294 0.587 17858 3957 1 11 . 1 1 60 60 ASN N N 463 114.923 114.923 118.000 -3.077 17858 3958 1 11 . 1 1 60 60 ASN HA H 463 4.667 4.667 4.696 -0.029 17858 3959 1 11 . 1 1 60 60 ASN CA C 463 53.316 53.316 53.833 -0.517 17858 3960 1 11 . 1 1 60 60 ASN CB C 463 39.355 39.355 38.723 0.632 17858 3961 1 11 . 1 1 60 60 ASN H H 463 7.819 7.819 8.297 -0.478 17858 3962 1 11 . 1 1 61 61 CYS N N 464 121.670 121.670 121.229 0.441 17858 3963 1 11 . 1 1 61 61 CYS HA H 464 3.770 3.770 3.889 -0.119 17858 3964 1 11 . 1 1 61 61 CYS CA C 464 61.725 61.725 60.025 1.700 17858 3965 1 11 . 1 1 61 61 CYS CB C 464 30.891 30.891 27.210 3.680 17858 3966 1 11 . 1 1 61 61 CYS H H 464 7.049 7.049 8.184 -1.135 17858 3967 1 11 . 1 1 62 62 LYS N N 465 131.072 131.072 126.048 5.024 17858 3968 1 11 . 1 1 62 62 LYS HA H 465 4.312 4.312 4.382 -0.070 17858 3969 1 11 . 1 1 62 62 LYS CA C 465 55.230 55.230 55.587 -0.357 17858 3970 1 11 . 1 1 62 62 LYS CB C 465 32.794 32.794 32.196 0.598 17858 3971 1 11 . 1 1 62 62 LYS H H 465 8.836 8.836 8.241 0.595 17858 3972 1 11 . 1 1 63 63 ASN N N 466 119.130 119.130 117.729 1.401 17858 3973 1 11 . 1 1 63 63 ASN HA H 466 4.596 4.596 4.579 0.017 17858 3974 1 11 . 1 1 63 63 ASN CA C 466 52.210 52.210 52.649 -0.439 17858 3975 1 11 . 1 1 63 63 ASN CB C 466 38.827 38.827 39.796 -0.969 17858 3976 1 11 . 1 1 63 63 ASN H H 466 7.660 7.660 7.835 -0.175 17858 3977 1 11 . 1 1 64 64 ILE N N 467 125.111 125.111 116.768 8.343 17858 3978 1 11 . 1 1 64 64 ILE HA H 467 3.539 3.539 4.144 -0.605 17858 3979 1 11 . 1 1 64 64 ILE CA C 467 64.493 64.493 60.519 3.974 17858 3980 1 11 . 1 1 64 64 ILE CB C 467 38.068 38.068 38.745 -0.677 17858 3981 1 11 . 1 1 64 64 ILE H H 467 8.475 8.475 7.332 1.143 17858 3982 1 11 . 1 1 65 65 TYR N N 468 118.920 118.920 117.850 1.070 17858 3983 1 11 . 1 1 65 65 TYR HA H 468 4.538 4.538 4.800 -0.262 17858 3984 1 11 . 1 1 65 65 TYR CA C 468 57.003 57.003 55.117 1.886 17858 3985 1 11 . 1 1 65 65 TYR CB C 468 37.716 37.716 36.762 0.954 17858 3986 1 11 . 1 1 65 65 TYR H H 468 7.462 7.462 7.107 0.355 17858 3987 1 11 . 1 1 66 66 CYS N N 469 122.658 122.658 121.659 0.999 17858 3988 1 11 . 1 1 66 66 CYS HA H 469 4.009 4.009 4.582 -0.573 17858 3989 1 11 . 1 1 66 66 CYS CA C 469 62.039 62.039 58.218 3.821 17858 3990 1 11 . 1 1 66 66 CYS CB C 469 31.455 31.455 28.009 3.446 17858 3991 1 11 . 1 1 66 66 CYS H H 469 7.305 7.305 8.247 -0.942 17858 3992 1 11 . 1 1 67 67 LEU N N 470 130.238 130.238 126.924 3.314 17858 3993 1 11 . 1 1 67 67 LEU HA H 470 4.353 4.353 4.377 -0.024 17858 3994 1 11 . 1 1 67 67 LEU CA C 470 55.947 55.947 54.245 1.702 17858 3995 1 11 . 1 1 67 67 LEU CB C 470 42.125 42.125 41.493 0.632 17858 3996 1 11 . 1 1 67 67 LEU H H 470 9.002 9.002 8.460 0.542 17858 3997 1 11 . 1 1 68 68 PHE N N 471 120.946 120.946 117.892 3.054 17858 3998 1 11 . 1 1 68 68 PHE HA H 471 4.576 4.576 4.547 0.029 17858 3999 1 11 . 1 1 68 68 PHE CA C 471 59.242 59.242 55.544 3.698 17858 4000 1 11 . 1 1 68 68 PHE CB C 471 39.865 39.865 40.222 -0.357 17858 4001 1 11 . 1 1 68 68 PHE H H 471 8.519 8.519 7.026 1.493 17858 4002 1 11 . 1 1 69 69 ARG N N 472 116.975 116.975 120.926 -3.951 17858 4003 1 11 . 1 1 69 69 ARG HA H 472 4.331 4.331 4.369 -0.038 17858 4004 1 11 . 1 1 69 69 ARG CA C 472 56.933 56.933 54.955 1.978 17858 4005 1 11 . 1 1 69 69 ARG CB C 472 31.822 31.822 31.840 -0.018 17858 4006 1 11 . 1 1 69 69 ARG H H 472 8.417 8.417 8.685 -0.268 17858 4007 1 11 . 1 1 70 70 HIS N N 473 118.809 118.809 123.319 -4.510 17858 4008 1 11 . 1 1 70 70 HIS HA H 473 4.991 4.991 4.845 0.146 17858 4009 1 11 . 1 1 70 70 HIS CA C 473 55.311 55.311 53.738 1.573 17858 4010 1 11 . 1 1 70 70 HIS CB C 473 30.613 30.613 30.216 0.397 17858 4011 1 11 . 1 1 70 70 HIS H H 473 8.499 8.499 8.500 -0.001 17858 4012 1 11 . 1 1 71 71 PRO HA H 474 4.742 4.742 4.586 0.156 17858 4013 1 11 . 1 1 71 71 PRO CA C 474 61.250 61.250 61.906 -0.655 17858 4014 1 11 . 1 1 71 71 PRO CB C 474 30.743 30.743 31.011 -0.268 17858 4015 1 11 . 1 1 72 72 PRO HA H 475 4.279 4.279 4.376 -0.097 17858 4016 1 11 . 1 1 72 72 PRO CA C 475 63.941 63.941 63.515 0.426 17858 4017 1 11 . 1 1 72 72 PRO CB C 475 32.122 32.122 31.374 0.748 17858 4018 1 11 . 1 1 73 73 GLY N N 476 106.525 106.525 111.756 -5.231 17858 4019 1 11 . 1 1 73 73 GLY CA C 476 45.142 45.142 44.731 0.411 17858 4020 1 11 . 1 1 73 73 GLY H H 476 8.359 8.359 8.791 -0.432 17858 4021 1 11 . 1 1 74 74 ARG N N 477 121.516 121.516 119.762 1.754 17858 4022 1 11 . 1 1 74 74 ARG HA H 477 4.223 4.223 4.737 -0.514 17858 4023 1 11 . 1 1 74 74 ARG CA C 477 57.021 57.021 55.576 1.445 17858 4024 1 11 . 1 1 74 74 ARG CB C 477 31.388 31.388 31.124 0.264 17858 4025 1 11 . 1 1 74 74 ARG H H 477 7.255 7.255 7.773 -0.518 17858 4026 1 11 . 1 1 75 75 VAL N N 478 128.411 128.411 122.231 6.180 17858 4027 1 11 . 1 1 75 75 VAL HA H 478 4.054 4.054 4.354 -0.300 17858 4028 1 11 . 1 1 75 75 VAL CA C 478 61.925 61.925 60.768 1.157 17858 4029 1 11 . 1 1 75 75 VAL CB C 478 33.788 33.788 33.599 0.189 17858 4030 1 11 . 1 1 75 75 VAL H H 478 8.569 8.569 8.305 0.264 17858 4031 1 11 . 1 1 76 76 LEU N N 479 127.195 127.195 121.126 6.069 17858 4032 1 11 . 1 1 76 76 LEU HA H 479 4.462 4.462 4.664 -0.202 17858 4033 1 11 . 1 1 76 76 LEU CA C 479 52.474 52.474 52.303 0.171 17858 4034 1 11 . 1 1 76 76 LEU CB C 479 42.068 42.068 43.748 -1.680 17858 4035 1 11 . 1 1 76 76 LEU H H 479 8.338 8.338 8.122 0.216 17858 4036 1 11 . 1 1 77 77 PRO HA H 480 4.251 4.251 4.477 -0.226 17858 4037 1 11 . 1 1 77 77 PRO CA C 480 63.072 63.072 62.649 0.423 17858 4038 1 11 . 1 1 77 77 PRO CB C 480 32.313 32.313 32.042 0.271 17858 4039 1 11 . 1 1 78 78 GLU N N 481 120.828 120.828 121.697 -0.869 17858 4040 1 11 . 1 1 78 78 GLU HA H 481 4.089 4.089 4.469 -0.380 17858 4041 1 11 . 1 1 78 78 GLU CA C 481 56.521 56.521 55.752 0.770 17858 4042 1 11 . 1 1 78 78 GLU CB C 481 31.032 31.032 31.503 -0.471 17858 4043 1 11 . 1 1 78 78 GLU H H 481 8.328 8.328 8.476 -0.148 17858 4044 1 11 . 1 1 79 79 LYS N N 482 123.778 123.778 124.090 -0.312 17858 4045 1 11 . 1 1 79 79 LYS HA H 482 4.166 4.166 4.520 -0.354 17858 4046 1 11 . 1 1 79 79 LYS CA C 482 56.581 56.581 56.550 0.031 17858 4047 1 11 . 1 1 79 79 LYS CB C 482 33.279 33.279 32.449 0.830 17858 4048 1 11 . 1 1 79 79 LYS H H 482 8.332 8.332 8.463 -0.131 17858 4049 1 12 . 1 1 2 2 PRO HA H 405 4.356 4.356 4.665 -0.309 17858 4050 1 12 . 1 1 2 2 PRO CA C 405 63.329 63.329 62.497 0.832 17858 4051 1 12 . 1 1 2 2 PRO CB C 405 32.603 32.603 32.789 -0.186 17858 4052 1 12 . 1 1 3 3 LEU N N 406 122.497 122.497 120.798 1.699 17858 4053 1 12 . 1 1 3 3 LEU HA H 406 4.231 4.231 4.590 -0.359 17858 4054 1 12 . 1 1 3 3 LEU CA C 406 55.838 55.838 54.341 1.497 17858 4055 1 12 . 1 1 3 3 LEU CB C 406 42.529 42.529 44.023 -1.494 17858 4056 1 12 . 1 1 3 3 LEU H H 406 8.571 8.571 8.151 0.420 17858 4057 1 12 . 1 1 4 4 GLY N N 407 110.132 110.132 109.331 0.801 17858 4058 1 12 . 1 1 4 4 GLY CA C 407 45.746 45.746 44.274 1.472 17858 4059 1 12 . 1 1 4 4 GLY H H 407 8.504 8.504 8.527 -0.023 17858 4060 1 12 . 1 1 5 5 SER N N 408 114.820 114.820 116.102 -1.282 17858 4061 1 12 . 1 1 5 5 SER HA H 408 4.321 4.321 4.641 -0.320 17858 4062 1 12 . 1 1 5 5 SER CA C 408 58.629 58.629 57.679 0.950 17858 4063 1 12 . 1 1 5 5 SER CB C 408 64.171 64.171 65.463 -1.292 17858 4064 1 12 . 1 1 5 5 SER H H 408 8.087 8.087 8.192 -0.105 17858 4065 1 12 . 1 1 6 6 GLU N N 409 122.539 122.539 120.058 2.481 17858 4066 1 12 . 1 1 6 6 GLU HA H 409 4.137 4.137 4.520 -0.383 17858 4067 1 12 . 1 1 6 6 GLU CA C 409 57.076 57.076 56.495 0.581 17858 4068 1 12 . 1 1 6 6 GLU CB C 409 30.420 30.420 29.913 0.506 17858 4069 1 12 . 1 1 6 6 GLU H H 409 8.483 8.483 8.415 0.068 17858 4070 1 12 . 1 1 7 7 LYS N N 410 120.141 120.141 122.012 -1.871 17858 4071 1 12 . 1 1 7 7 LYS HA H 410 4.332 4.332 4.518 -0.186 17858 4072 1 12 . 1 1 7 7 LYS CA C 410 56.279 56.279 56.416 -0.137 17858 4073 1 12 . 1 1 7 7 LYS CB C 410 33.875 33.875 32.525 1.350 17858 4074 1 12 . 1 1 7 7 LYS H H 410 7.997 7.997 8.331 -0.334 17858 4075 1 12 . 1 1 8 8 SER N N 411 114.672 114.672 115.814 -1.142 17858 4076 1 12 . 1 1 8 8 SER HA H 411 4.542 4.542 4.697 -0.155 17858 4077 1 12 . 1 1 8 8 SER CA C 411 56.092 56.092 57.582 -1.490 17858 4078 1 12 . 1 1 8 8 SER CB C 411 65.009 65.009 64.248 0.761 17858 4079 1 12 . 1 1 8 8 SER H H 411 8.214 8.214 7.686 0.528 17858 4080 1 12 . 1 1 9 9 LEU N N 412 122.535 122.535 122.353 0.182 17858 4081 1 12 . 1 1 9 9 LEU HA H 412 3.938 3.938 4.456 -0.518 17858 4082 1 12 . 1 1 9 9 LEU CA C 412 55.495 55.495 53.723 1.772 17858 4083 1 12 . 1 1 9 9 LEU CB C 412 42.864 42.864 41.638 1.226 17858 4084 1 12 . 1 1 9 9 LEU H H 412 8.487 8.487 8.659 -0.172 17858 4085 1 12 . 1 1 10 10 GLU N N 413 121.582 121.582 118.135 3.447 17858 4086 1 12 . 1 1 10 10 GLU HA H 413 3.804 3.804 4.626 -0.822 17858 4087 1 12 . 1 1 10 10 GLU CA C 413 57.749 57.749 54.913 2.836 17858 4088 1 12 . 1 1 10 10 GLU CB C 413 29.807 29.807 32.133 -2.326 17858 4089 1 12 . 1 1 10 10 GLU H H 413 8.483 8.483 8.120 0.363 17858 4090 1 12 . 1 1 11 11 GLN N N 414 124.052 124.052 119.184 4.868 17858 4091 1 12 . 1 1 11 11 GLN HA H 414 3.768 3.768 4.798 -1.030 17858 4092 1 12 . 1 1 11 11 GLN CA C 414 55.415 55.415 54.647 0.768 17858 4093 1 12 . 1 1 11 11 GLN CB C 414 29.918 29.918 31.640 -1.722 17858 4094 1 12 . 1 1 11 11 GLN H H 414 8.475 8.475 8.537 -0.062 17858 4095 1 12 . 1 1 12 12 CYS N N 415 129.067 129.067 123.525 5.542 17858 4096 1 12 . 1 1 12 12 CYS HA H 415 3.668 3.668 4.241 -0.573 17858 4097 1 12 . 1 1 12 12 CYS CA C 415 61.173 61.173 60.530 0.643 17858 4098 1 12 . 1 1 12 12 CYS CB C 415 30.342 30.342 28.485 1.857 17858 4099 1 12 . 1 1 12 12 CYS H H 415 9.290 9.290 8.411 0.879 17858 4100 1 12 . 1 1 13 13 LYS N N 416 129.282 129.282 121.865 7.417 17858 4101 1 12 . 1 1 13 13 LYS HA H 416 3.814 3.814 4.806 -0.992 17858 4102 1 12 . 1 1 13 13 LYS CA C 416 58.772 58.772 56.809 1.963 17858 4103 1 12 . 1 1 13 13 LYS CB C 416 32.186 32.186 32.271 -0.085 17858 4104 1 12 . 1 1 13 13 LYS H H 416 8.623 8.623 8.910 -0.287 17858 4105 1 12 . 1 1 14 14 PHE N N 417 119.338 119.338 118.831 0.507 17858 4106 1 12 . 1 1 14 14 PHE HA H 417 4.613 4.613 4.615 -0.002 17858 4107 1 12 . 1 1 14 14 PHE CA C 417 58.971 58.971 59.046 -0.075 17858 4108 1 12 . 1 1 14 14 PHE CB C 417 39.352 39.352 40.520 -1.168 17858 4109 1 12 . 1 1 14 14 PHE H H 417 8.603 8.603 7.845 0.758 17858 4110 1 12 . 1 1 15 15 GLY N N 418 107.206 107.206 107.773 -0.567 17858 4111 1 12 . 1 1 15 15 GLY CA C 418 47.937 47.937 46.406 1.531 17858 4112 1 12 . 1 1 15 15 GLY H H 418 7.472 7.472 8.592 -1.120 17858 4113 1 12 . 1 1 16 16 THR N N 419 117.234 117.234 117.399 -0.165 17858 4114 1 12 . 1 1 16 16 THR HA H 419 4.002 4.002 4.375 -0.373 17858 4115 1 12 . 1 1 16 16 THR CA C 419 63.842 63.842 62.970 0.872 17858 4116 1 12 . 1 1 16 16 THR CB C 419 68.778 68.778 69.033 -0.255 17858 4117 1 12 . 1 1 16 16 THR H H 419 8.740 8.740 8.607 0.133 17858 4118 1 12 . 1 1 17 17 HIS N N 420 118.028 118.028 121.677 -3.649 17858 4119 1 12 . 1 1 17 17 HIS HA H 420 4.581 4.581 4.805 -0.224 17858 4120 1 12 . 1 1 17 17 HIS CA C 420 55.612 55.612 55.587 0.025 17858 4121 1 12 . 1 1 17 17 HIS CB C 420 29.751 29.751 30.182 -0.431 17858 4122 1 12 . 1 1 17 17 HIS H H 420 8.059 8.059 7.710 0.349 17858 4123 1 12 . 1 1 18 18 CYS N N 421 122.824 122.824 120.191 2.633 17858 4124 1 12 . 1 1 18 18 CYS HA H 421 3.849 3.849 4.243 -0.394 17858 4125 1 12 . 1 1 18 18 CYS CA C 421 61.733 61.733 59.716 2.017 17858 4126 1 12 . 1 1 18 18 CYS CB C 421 30.570 30.570 26.436 4.134 17858 4127 1 12 . 1 1 18 18 CYS H H 421 7.288 7.288 8.077 -0.789 17858 4128 1 12 . 1 1 19 19 THR N N 422 119.018 119.018 120.691 -1.673 17858 4129 1 12 . 1 1 19 19 THR HA H 422 4.348 4.348 4.428 -0.080 17858 4130 1 12 . 1 1 19 19 THR CA C 422 61.292 61.292 60.852 0.440 17858 4131 1 12 . 1 1 19 19 THR CB C 422 69.612 69.612 68.556 1.056 17858 4132 1 12 . 1 1 19 19 THR H H 422 8.435 8.435 7.985 0.450 17858 4133 1 12 . 1 1 20 20 ASN N N 423 121.923 121.923 119.730 2.193 17858 4134 1 12 . 1 1 20 20 ASN HA H 423 4.690 4.690 4.814 -0.124 17858 4135 1 12 . 1 1 20 20 ASN CA C 423 52.203 52.203 52.434 -0.231 17858 4136 1 12 . 1 1 20 20 ASN CB C 423 38.747 38.747 40.698 -1.951 17858 4137 1 12 . 1 1 20 20 ASN H H 423 7.924 7.924 7.885 0.039 17858 4138 1 12 . 1 1 21 21 LYS N N 424 127.775 127.775 123.194 4.581 17858 4139 1 12 . 1 1 21 21 LYS HA H 424 3.922 3.922 4.119 -0.197 17858 4140 1 12 . 1 1 21 21 LYS CA C 424 58.647 58.647 57.960 0.687 17858 4141 1 12 . 1 1 21 21 LYS CB C 424 32.289 32.289 32.995 -0.706 17858 4142 1 12 . 1 1 21 21 LYS H H 424 9.094 9.094 8.684 0.410 17858 4143 1 12 . 1 1 22 22 ARG N N 425 116.206 116.206 115.018 1.188 17858 4144 1 12 . 1 1 22 22 ARG HA H 425 4.270 4.270 4.622 -0.352 17858 4145 1 12 . 1 1 22 22 ARG CA C 425 54.832 54.832 54.608 0.224 17858 4146 1 12 . 1 1 22 22 ARG CB C 425 29.549 29.549 28.975 0.574 17858 4147 1 12 . 1 1 22 22 ARG H H 425 7.825 7.825 7.656 0.169 17858 4148 1 12 . 1 1 23 23 CYS N N 426 123.387 123.387 121.513 1.874 17858 4149 1 12 . 1 1 23 23 CYS HA H 426 3.867 3.867 4.482 -0.615 17858 4150 1 12 . 1 1 23 23 CYS CA C 426 62.205 62.205 60.581 1.624 17858 4151 1 12 . 1 1 23 23 CYS CB C 426 30.940 30.940 29.150 1.790 17858 4152 1 12 . 1 1 23 23 CYS H H 426 7.273 7.273 8.361 -1.088 17858 4153 1 12 . 1 1 24 24 LYS N N 427 128.443 128.443 127.906 0.537 17858 4154 1 12 . 1 1 24 24 LYS HA H 427 4.299 4.299 4.240 0.059 17858 4155 1 12 . 1 1 24 24 LYS CA C 427 57.047 57.047 55.456 1.591 17858 4156 1 12 . 1 1 24 24 LYS CB C 427 33.275 33.275 31.652 1.623 17858 4157 1 12 . 1 1 24 24 LYS H H 427 8.525 8.525 8.549 -0.024 17858 4158 1 12 . 1 1 25 25 TYR N N 428 123.059 123.059 115.654 7.405 17858 4159 1 12 . 1 1 25 25 TYR HA H 428 4.569 4.569 4.524 0.045 17858 4160 1 12 . 1 1 25 25 TYR CA C 428 58.470 58.470 56.803 1.667 17858 4161 1 12 . 1 1 25 25 TYR CB C 428 39.830 39.830 41.238 -1.408 17858 4162 1 12 . 1 1 25 25 TYR H H 428 8.066 8.066 7.567 0.499 17858 4163 1 12 . 1 1 26 26 ARG N N 429 116.840 116.840 119.014 -2.174 17858 4164 1 12 . 1 1 26 26 ARG HA H 429 4.429 4.429 4.499 -0.070 17858 4165 1 12 . 1 1 26 26 ARG CA C 429 58.979 58.979 54.406 4.573 17858 4166 1 12 . 1 1 26 26 ARG CB C 429 33.073 33.073 32.260 0.813 17858 4167 1 12 . 1 1 26 26 ARG H H 429 8.275 8.275 8.669 -0.394 17858 4168 1 12 . 1 1 27 27 HIS N N 430 117.522 117.522 119.605 -2.083 17858 4169 1 12 . 1 1 27 27 HIS HA H 430 4.553 4.553 4.820 -0.267 17858 4170 1 12 . 1 1 27 27 HIS CA C 430 56.912 56.912 55.149 1.763 17858 4171 1 12 . 1 1 27 27 HIS CB C 430 30.715 30.715 33.029 -2.314 17858 4172 1 12 . 1 1 27 27 HIS H H 430 8.154 8.154 8.693 -0.539 17858 4173 1 12 . 1 1 28 28 ALA N N 431 126.087 126.087 126.692 -0.605 17858 4174 1 12 . 1 1 28 28 ALA HA H 431 4.106 4.106 4.404 -0.298 17858 4175 1 12 . 1 1 28 28 ALA CA C 431 51.833 51.833 52.123 -0.290 17858 4176 1 12 . 1 1 28 28 ALA CB C 431 18.291 18.291 19.221 -0.930 17858 4177 1 12 . 1 1 28 28 ALA H H 431 8.061 8.061 8.754 -0.693 17858 4178 1 12 . 1 1 29 29 ARG N N 432 121.538 121.538 122.429 -0.891 17858 4179 1 12 . 1 1 29 29 ARG HA H 432 4.280 4.280 4.548 -0.268 17858 4180 1 12 . 1 1 29 29 ARG CA C 432 55.492 55.492 56.059 -0.567 17858 4181 1 12 . 1 1 29 29 ARG CB C 432 31.353 31.353 30.543 0.810 17858 4182 1 12 . 1 1 29 29 ARG H H 432 8.630 8.630 8.875 -0.245 17858 4183 1 12 . 1 1 30 30 SER N N 433 112.439 112.439 114.877 -2.438 17858 4184 1 12 . 1 1 30 30 SER HA H 433 4.463 4.463 4.636 -0.173 17858 4185 1 12 . 1 1 30 30 SER CA C 433 56.566 56.566 57.192 -0.626 17858 4186 1 12 . 1 1 30 30 SER CB C 433 64.803 64.803 65.380 -0.577 17858 4187 1 12 . 1 1 30 30 SER H H 433 7.450 7.450 7.806 -0.356 17858 4188 1 12 . 1 1 31 31 HIS N N 434 121.494 121.494 117.931 3.563 17858 4189 1 12 . 1 1 31 31 HIS HA H 434 4.279 4.279 3.276 1.003 17858 4190 1 12 . 1 1 31 31 HIS CA C 434 56.955 56.955 54.726 2.229 17858 4191 1 12 . 1 1 31 31 HIS CB C 434 29.834 29.834 28.772 1.062 17858 4192 1 12 . 1 1 31 31 HIS H H 434 8.132 8.132 8.406 -0.274 17858 4193 1 12 . 1 1 32 32 ILE N N 435 123.851 123.851 122.512 1.339 17858 4194 1 12 . 1 1 32 32 ILE HA H 435 3.506 3.506 4.025 -0.519 17858 4195 1 12 . 1 1 32 32 ILE CA C 435 61.345 61.345 58.893 2.452 17858 4196 1 12 . 1 1 32 32 ILE CB C 435 37.765 37.765 36.578 1.187 17858 4197 1 12 . 1 1 32 32 ILE H H 435 7.858 7.858 7.942 -0.084 17858 4198 1 12 . 1 1 33 33 MET N N 436 125.294 125.294 124.747 0.547 17858 4199 1 12 . 1 1 33 33 MET HA H 436 4.050 4.050 4.710 -0.660 17858 4200 1 12 . 1 1 33 33 MET CA C 436 54.733 54.733 56.185 -1.452 17858 4201 1 12 . 1 1 33 33 MET CB C 436 31.934 31.934 33.992 -2.058 17858 4202 1 12 . 1 1 33 33 MET H H 436 8.317 8.317 8.451 -0.134 17858 4203 1 12 . 1 1 34 34 CYS N N 437 127.958 127.958 119.274 8.684 17858 4204 1 12 . 1 1 34 34 CYS HA H 437 3.389 3.389 5.070 -1.681 17858 4205 1 12 . 1 1 34 34 CYS CA C 437 61.544 61.544 58.292 3.252 17858 4206 1 12 . 1 1 34 34 CYS CB C 437 31.325 31.325 29.351 1.974 17858 4207 1 12 . 1 1 34 34 CYS H H 437 9.255 9.255 8.409 0.846 17858 4208 1 12 . 1 1 35 35 ARG N N 438 131.582 131.582 127.515 4.067 17858 4209 1 12 . 1 1 35 35 ARG HA H 438 3.887 3.887 4.175 -0.288 17858 4210 1 12 . 1 1 35 35 ARG CA C 438 59.466 59.466 58.710 0.756 17858 4211 1 12 . 1 1 35 35 ARG CB C 438 30.251 30.251 30.033 0.218 17858 4212 1 12 . 1 1 35 35 ARG H H 438 8.645 8.645 9.134 -0.489 17858 4213 1 12 . 1 1 36 36 GLU N N 439 117.530 117.530 118.475 -0.945 17858 4214 1 12 . 1 1 36 36 GLU HA H 439 4.284 4.284 4.306 -0.022 17858 4215 1 12 . 1 1 36 36 GLU CA C 439 57.440 57.440 56.095 1.345 17858 4216 1 12 . 1 1 36 36 GLU CB C 439 30.295 30.295 29.826 0.469 17858 4217 1 12 . 1 1 36 36 GLU H H 439 8.302 8.302 8.188 0.114 17858 4218 1 12 . 1 1 37 37 GLY N N 440 107.589 107.589 108.843 -1.254 17858 4219 1 12 . 1 1 37 37 GLY CA C 440 47.353 47.353 45.792 1.561 17858 4220 1 12 . 1 1 37 37 GLY H H 440 7.518 7.518 8.142 -0.624 17858 4221 1 12 . 1 1 38 38 ALA N N 441 126.673 126.673 125.429 1.244 17858 4222 1 12 . 1 1 38 38 ALA HA H 441 4.180 4.180 4.208 -0.028 17858 4223 1 12 . 1 1 38 38 ALA CA C 441 53.717 53.717 52.836 0.881 17858 4224 1 12 . 1 1 38 38 ALA CB C 441 19.127 19.127 18.513 0.614 17858 4225 1 12 . 1 1 38 38 ALA H H 441 9.114 9.114 8.479 0.635 17858 4226 1 12 . 1 1 39 39 ASN N N 442 113.951 113.951 115.433 -1.482 17858 4227 1 12 . 1 1 39 39 ASN HA H 442 4.655 4.655 4.808 -0.153 17858 4228 1 12 . 1 1 39 39 ASN CA C 442 52.940 52.940 53.136 -0.196 17858 4229 1 12 . 1 1 39 39 ASN CB C 442 39.264 39.264 39.232 0.032 17858 4230 1 12 . 1 1 39 39 ASN H H 442 8.072 8.072 7.775 0.297 17858 4231 1 12 . 1 1 40 40 CYS N N 443 122.245 122.245 120.140 2.105 17858 4232 1 12 . 1 1 40 40 CYS HA H 443 4.070 4.070 4.217 -0.147 17858 4233 1 12 . 1 1 40 40 CYS CA C 443 60.661 60.661 60.019 0.642 17858 4234 1 12 . 1 1 40 40 CYS CB C 443 31.037 31.037 27.722 3.315 17858 4235 1 12 . 1 1 40 40 CYS H H 443 7.237 7.237 7.393 -0.156 17858 4236 1 12 . 1 1 41 41 THR N N 444 120.684 120.684 116.528 4.156 17858 4237 1 12 . 1 1 41 41 THR HA H 444 4.411 4.411 4.371 0.040 17858 4238 1 12 . 1 1 41 41 THR CA C 444 61.110 61.110 61.512 -0.402 17858 4239 1 12 . 1 1 41 41 THR CB C 444 68.937 68.937 68.594 0.343 17858 4240 1 12 . 1 1 41 41 THR H H 444 9.033 9.033 8.347 0.686 17858 4241 1 12 . 1 1 42 42 ARG N N 445 123.977 123.977 121.213 2.764 17858 4242 1 12 . 1 1 42 42 ARG HA H 445 4.329 4.329 4.507 -0.178 17858 4243 1 12 . 1 1 42 42 ARG CA C 445 56.416 56.416 55.473 0.943 17858 4244 1 12 . 1 1 42 42 ARG CB C 445 30.604 30.604 32.045 -1.441 17858 4245 1 12 . 1 1 42 42 ARG H H 445 7.927 7.927 7.544 0.383 17858 4246 1 12 . 1 1 43 43 ILE N N 446 132.203 132.203 123.220 8.983 17858 4247 1 12 . 1 1 43 43 ILE HA H 446 3.609 3.609 4.253 -0.644 17858 4248 1 12 . 1 1 43 43 ILE CA C 446 63.023 63.023 61.957 1.066 17858 4249 1 12 . 1 1 43 43 ILE CB C 446 38.463 38.463 38.681 -0.218 17858 4250 1 12 . 1 1 43 43 ILE H H 446 9.010 9.010 8.514 0.496 17858 4251 1 12 . 1 1 44 44 ASP N N 447 116.309 116.309 118.470 -2.161 17858 4252 1 12 . 1 1 44 44 ASP HA H 447 4.555 4.555 4.696 -0.141 17858 4253 1 12 . 1 1 44 44 ASP CA C 447 52.727 52.727 53.441 -0.714 17858 4254 1 12 . 1 1 44 44 ASP CB C 447 40.177 40.177 39.571 0.606 17858 4255 1 12 . 1 1 44 44 ASP H H 447 8.191 8.191 8.169 0.022 17858 4256 1 12 . 1 1 45 45 CYS N N 448 121.173 121.173 119.587 1.586 17858 4257 1 12 . 1 1 45 45 CYS HA H 448 3.913 3.913 4.304 -0.391 17858 4258 1 12 . 1 1 45 45 CYS CA C 448 62.082 62.082 59.639 2.443 17858 4259 1 12 . 1 1 45 45 CYS CB C 448 31.510 31.510 27.006 4.504 17858 4260 1 12 . 1 1 45 45 CYS H H 448 7.113 7.113 7.967 -0.854 17858 4261 1 12 . 1 1 46 46 LEU N N 449 128.150 128.150 130.668 -2.518 17858 4262 1 12 . 1 1 46 46 LEU HA H 449 4.657 4.657 4.596 0.061 17858 4263 1 12 . 1 1 46 46 LEU CA C 449 55.144 55.144 54.246 0.898 17858 4264 1 12 . 1 1 46 46 LEU CB C 449 43.004 43.004 41.292 1.712 17858 4265 1 12 . 1 1 46 46 LEU H H 449 8.451 8.451 8.503 -0.052 17858 4266 1 12 . 1 1 47 47 PHE N N 450 120.646 120.646 118.698 1.948 17858 4267 1 12 . 1 1 47 47 PHE HA H 450 4.527 4.527 4.938 -0.411 17858 4268 1 12 . 1 1 47 47 PHE CA C 450 58.198 58.198 54.315 3.883 17858 4269 1 12 . 1 1 47 47 PHE CB C 450 39.901 39.901 41.733 -1.832 17858 4270 1 12 . 1 1 47 47 PHE H H 450 8.390 8.390 7.096 1.294 17858 4271 1 12 . 1 1 48 48 GLY N N 451 104.118 104.118 109.002 -4.884 17858 4272 1 12 . 1 1 48 48 GLY CA C 451 47.675 47.675 44.766 2.909 17858 4273 1 12 . 1 1 48 48 GLY H H 451 8.643 8.643 8.294 0.349 17858 4274 1 12 . 1 1 49 49 HIS N N 452 119.710 119.710 124.586 -4.876 17858 4275 1 12 . 1 1 49 49 HIS HA H 452 4.725 4.725 4.791 -0.066 17858 4276 1 12 . 1 1 49 49 HIS CA C 452 54.408 54.408 52.560 1.848 17858 4277 1 12 . 1 1 49 49 HIS CB C 452 29.515 29.515 32.039 -2.524 17858 4278 1 12 . 1 1 49 49 HIS H H 452 6.951 6.951 8.161 -1.210 17858 4279 1 12 . 1 1 50 50 PRO HA H 453 4.291 4.291 4.401 -0.110 17858 4280 1 12 . 1 1 50 50 PRO CA C 453 63.872 63.872 62.977 0.895 17858 4281 1 12 . 1 1 50 50 PRO CB C 453 32.724 32.724 32.733 -0.009 17858 4282 1 12 . 1 1 51 51 ILE N N 454 122.942 122.942 119.364 3.578 17858 4283 1 12 . 1 1 51 51 ILE HA H 454 3.787 3.787 4.280 -0.493 17858 4284 1 12 . 1 1 51 51 ILE CA C 454 61.010 61.010 60.195 0.815 17858 4285 1 12 . 1 1 51 51 ILE CB C 454 40.204 40.204 42.929 -2.725 17858 4286 1 12 . 1 1 51 51 ILE H H 454 8.189 8.189 7.935 0.254 17858 4287 1 12 . 1 1 52 52 ASN N N 455 128.496 128.496 124.926 3.570 17858 4288 1 12 . 1 1 52 52 ASN HA H 455 4.641 4.641 4.684 -0.043 17858 4289 1 12 . 1 1 52 52 ASN CA C 455 52.832 52.832 54.044 -1.212 17858 4290 1 12 . 1 1 52 52 ASN CB C 455 36.969 36.969 38.568 -1.599 17858 4291 1 12 . 1 1 52 52 ASN H H 455 8.791 8.791 8.719 0.072 17858 4292 1 12 . 1 1 53 53 GLU N N 456 120.059 120.059 122.509 -2.450 17858 4293 1 12 . 1 1 53 53 GLU HA H 456 4.318 4.318 4.469 -0.151 17858 4294 1 12 . 1 1 53 53 GLU CA C 456 55.588 55.588 55.484 0.104 17858 4295 1 12 . 1 1 53 53 GLU CB C 456 33.826 33.826 34.167 -0.341 17858 4296 1 12 . 1 1 53 53 GLU H H 456 8.177 8.177 8.033 0.144 17858 4297 1 12 . 1 1 54 54 ASP N N 457 124.404 124.404 123.396 1.008 17858 4298 1 12 . 1 1 54 54 ASP HA H 457 4.446 4.446 5.208 -0.762 17858 4299 1 12 . 1 1 54 54 ASP CA C 457 55.594 55.594 52.672 2.922 17858 4300 1 12 . 1 1 54 54 ASP CB C 457 41.033 41.033 41.312 -0.279 17858 4301 1 12 . 1 1 54 54 ASP H H 457 8.923 8.923 8.368 0.555 17858 4302 1 12 . 1 1 55 55 CYS N N 458 125.765 125.765 125.241 0.524 17858 4303 1 12 . 1 1 55 55 CYS HA H 458 3.360 3.360 4.338 -0.978 17858 4304 1 12 . 1 1 55 55 CYS CA C 458 61.284 61.284 60.147 1.137 17858 4305 1 12 . 1 1 55 55 CYS CB C 458 31.125 31.125 29.162 1.963 17858 4306 1 12 . 1 1 55 55 CYS H H 458 9.113 9.113 8.042 1.071 17858 4307 1 12 . 1 1 56 56 ARG N N 459 130.790 130.790 123.691 7.099 17858 4308 1 12 . 1 1 56 56 ARG HA H 459 3.875 3.875 4.269 -0.394 17858 4309 1 12 . 1 1 56 56 ARG CA C 459 58.610 58.610 58.029 0.581 17858 4310 1 12 . 1 1 56 56 ARG CB C 459 29.566 29.566 29.951 -0.385 17858 4311 1 12 . 1 1 56 56 ARG H H 459 8.601 8.601 8.764 -0.163 17858 4312 1 12 . 1 1 57 57 PHE N N 460 119.175 119.175 119.238 -0.063 17858 4313 1 12 . 1 1 57 57 PHE HA H 460 4.560 4.560 4.362 0.198 17858 4314 1 12 . 1 1 57 57 PHE CA C 460 58.367 58.367 59.404 -1.037 17858 4315 1 12 . 1 1 57 57 PHE CB C 460 39.049 39.049 39.933 -0.884 17858 4316 1 12 . 1 1 57 57 PHE H H 460 8.589 8.589 7.964 0.625 17858 4317 1 12 . 1 1 58 58 GLY N N 461 107.317 107.317 105.814 1.503 17858 4318 1 12 . 1 1 58 58 GLY CA C 461 47.253 47.253 45.241 2.012 17858 4319 1 12 . 1 1 58 58 GLY H H 461 7.386 7.386 8.499 -1.113 17858 4320 1 12 . 1 1 59 59 VAL N N 462 120.829 120.829 118.803 2.026 17858 4321 1 12 . 1 1 59 59 VAL HA H 462 3.674 3.674 4.288 -0.614 17858 4322 1 12 . 1 1 59 59 VAL CA C 462 64.142 64.142 62.466 1.676 17858 4323 1 12 . 1 1 59 59 VAL CB C 462 32.275 32.275 31.297 0.978 17858 4324 1 12 . 1 1 59 59 VAL H H 462 8.881 8.881 8.399 0.482 17858 4325 1 12 . 1 1 60 60 ASN N N 463 114.923 114.923 118.209 -3.286 17858 4326 1 12 . 1 1 60 60 ASN HA H 463 4.667 4.667 4.745 -0.078 17858 4327 1 12 . 1 1 60 60 ASN CA C 463 53.316 53.316 53.866 -0.550 17858 4328 1 12 . 1 1 60 60 ASN CB C 463 39.355 39.355 38.947 0.408 17858 4329 1 12 . 1 1 60 60 ASN H H 463 7.819 7.819 8.300 -0.481 17858 4330 1 12 . 1 1 61 61 CYS N N 464 121.670 121.670 121.050 0.620 17858 4331 1 12 . 1 1 61 61 CYS HA H 464 3.770 3.770 3.890 -0.120 17858 4332 1 12 . 1 1 61 61 CYS CA C 464 61.725 61.725 60.087 1.637 17858 4333 1 12 . 1 1 61 61 CYS CB C 464 30.891 30.891 26.523 4.368 17858 4334 1 12 . 1 1 61 61 CYS H H 464 7.049 7.049 8.226 -1.177 17858 4335 1 12 . 1 1 62 62 LYS N N 465 131.072 131.072 126.247 4.825 17858 4336 1 12 . 1 1 62 62 LYS HA H 465 4.312 4.312 4.413 -0.101 17858 4337 1 12 . 1 1 62 62 LYS CA C 465 55.230 55.230 55.697 -0.467 17858 4338 1 12 . 1 1 62 62 LYS CB C 465 32.794 32.794 32.326 0.468 17858 4339 1 12 . 1 1 62 62 LYS H H 465 8.836 8.836 8.241 0.595 17858 4340 1 12 . 1 1 63 63 ASN N N 466 119.130 119.130 117.637 1.493 17858 4341 1 12 . 1 1 63 63 ASN HA H 466 4.596 4.596 4.898 -0.302 17858 4342 1 12 . 1 1 63 63 ASN CA C 466 52.210 52.210 52.368 -0.159 17858 4343 1 12 . 1 1 63 63 ASN CB C 466 38.827 38.827 40.221 -1.394 17858 4344 1 12 . 1 1 63 63 ASN H H 466 7.660 7.660 7.504 0.156 17858 4345 1 12 . 1 1 64 64 ILE N N 467 125.111 125.111 118.602 6.509 17858 4346 1 12 . 1 1 64 64 ILE HA H 467 3.539 3.539 4.118 -0.579 17858 4347 1 12 . 1 1 64 64 ILE CA C 467 64.493 64.493 60.333 4.160 17858 4348 1 12 . 1 1 64 64 ILE CB C 467 38.068 38.068 37.179 0.889 17858 4349 1 12 . 1 1 64 64 ILE H H 467 8.475 8.475 8.270 0.205 17858 4350 1 12 . 1 1 65 65 TYR N N 468 118.920 118.920 118.936 -0.016 17858 4351 1 12 . 1 1 65 65 TYR HA H 468 4.538 4.538 4.628 -0.090 17858 4352 1 12 . 1 1 65 65 TYR CA C 468 57.003 57.003 57.436 -0.433 17858 4353 1 12 . 1 1 65 65 TYR CB C 468 37.716 37.716 37.523 0.194 17858 4354 1 12 . 1 1 65 65 TYR H H 468 7.462 7.462 7.877 -0.415 17858 4355 1 12 . 1 1 66 66 CYS N N 469 122.658 122.658 120.410 2.248 17858 4356 1 12 . 1 1 66 66 CYS HA H 469 4.009 4.009 4.676 -0.667 17858 4357 1 12 . 1 1 66 66 CYS CA C 469 62.039 62.039 57.818 4.221 17858 4358 1 12 . 1 1 66 66 CYS CB C 469 31.455 31.455 28.189 3.265 17858 4359 1 12 . 1 1 66 66 CYS H H 469 7.305 7.305 8.133 -0.828 17858 4360 1 12 . 1 1 67 67 LEU N N 470 130.238 130.238 126.168 4.070 17858 4361 1 12 . 1 1 67 67 LEU HA H 470 4.353 4.353 4.405 -0.052 17858 4362 1 12 . 1 1 67 67 LEU CA C 470 55.947 55.947 54.372 1.575 17858 4363 1 12 . 1 1 67 67 LEU CB C 470 42.125 42.125 41.406 0.719 17858 4364 1 12 . 1 1 67 67 LEU H H 470 9.002 9.002 8.364 0.638 17858 4365 1 12 . 1 1 68 68 PHE N N 471 120.946 120.946 118.332 2.614 17858 4366 1 12 . 1 1 68 68 PHE HA H 471 4.576 4.576 4.664 -0.088 17858 4367 1 12 . 1 1 68 68 PHE CA C 471 59.242 59.242 55.579 3.663 17858 4368 1 12 . 1 1 68 68 PHE CB C 471 39.865 39.865 41.168 -1.303 17858 4369 1 12 . 1 1 68 68 PHE H H 471 8.519 8.519 7.106 1.413 17858 4370 1 12 . 1 1 69 69 ARG N N 472 116.975 116.975 120.771 -3.796 17858 4371 1 12 . 1 1 69 69 ARG HA H 472 4.331 4.331 4.356 -0.025 17858 4372 1 12 . 1 1 69 69 ARG CA C 472 56.933 56.933 54.858 2.075 17858 4373 1 12 . 1 1 69 69 ARG CB C 472 31.822 31.822 31.828 -0.005 17858 4374 1 12 . 1 1 69 69 ARG H H 472 8.417 8.417 9.029 -0.612 17858 4375 1 12 . 1 1 70 70 HIS N N 473 118.809 118.809 122.856 -4.047 17858 4376 1 12 . 1 1 70 70 HIS HA H 473 4.991 4.991 5.025 -0.034 17858 4377 1 12 . 1 1 70 70 HIS CA C 473 55.311 55.311 53.637 1.674 17858 4378 1 12 . 1 1 70 70 HIS CB C 473 30.613 30.613 30.344 0.269 17858 4379 1 12 . 1 1 70 70 HIS H H 473 8.499 8.499 8.396 0.103 17858 4380 1 12 . 1 1 71 71 PRO HA H 474 4.742 4.742 4.493 0.249 17858 4381 1 12 . 1 1 71 71 PRO CA C 474 61.250 61.250 61.901 -0.651 17858 4382 1 12 . 1 1 71 71 PRO CB C 474 30.743 30.743 31.085 -0.342 17858 4383 1 12 . 1 1 72 72 PRO HA H 475 4.279 4.279 4.357 -0.078 17858 4384 1 12 . 1 1 72 72 PRO CA C 475 63.941 63.941 63.544 0.398 17858 4385 1 12 . 1 1 72 72 PRO CB C 475 32.122 32.122 31.251 0.871 17858 4386 1 12 . 1 1 73 73 GLY N N 476 106.525 106.525 112.541 -6.016 17858 4387 1 12 . 1 1 73 73 GLY CA C 476 45.142 45.142 44.824 0.318 17858 4388 1 12 . 1 1 73 73 GLY H H 476 8.359 8.359 8.802 -0.443 17858 4389 1 12 . 1 1 74 74 ARG N N 477 121.516 121.516 119.661 1.855 17858 4390 1 12 . 1 1 74 74 ARG HA H 477 4.223 4.223 4.473 -0.250 17858 4391 1 12 . 1 1 74 74 ARG CA C 477 57.021 57.021 55.682 1.339 17858 4392 1 12 . 1 1 74 74 ARG CB C 477 31.388 31.388 31.639 -0.251 17858 4393 1 12 . 1 1 74 74 ARG H H 477 7.255 7.255 7.750 -0.495 17858 4394 1 12 . 1 1 75 75 VAL N N 478 128.411 128.411 117.955 10.456 17858 4395 1 12 . 1 1 75 75 VAL HA H 478 4.054 4.054 4.229 -0.175 17858 4396 1 12 . 1 1 75 75 VAL CA C 478 61.925 61.925 61.910 0.015 17858 4397 1 12 . 1 1 75 75 VAL CB C 478 33.788 33.788 32.964 0.824 17858 4398 1 12 . 1 1 75 75 VAL H H 478 8.569 8.569 8.248 0.321 17858 4399 1 12 . 1 1 76 76 LEU N N 479 127.195 127.195 122.046 5.149 17858 4400 1 12 . 1 1 76 76 LEU HA H 479 4.462 4.462 4.834 -0.372 17858 4401 1 12 . 1 1 76 76 LEU CA C 479 52.474 52.474 52.279 0.195 17858 4402 1 12 . 1 1 76 76 LEU CB C 479 42.068 42.068 44.799 -2.731 17858 4403 1 12 . 1 1 76 76 LEU H H 479 8.338 8.338 8.450 -0.112 17858 4404 1 12 . 1 1 77 77 PRO HA H 480 4.251 4.251 4.383 -0.132 17858 4405 1 12 . 1 1 77 77 PRO CA C 480 63.072 63.072 62.921 0.151 17858 4406 1 12 . 1 1 77 77 PRO CB C 480 32.313 32.313 31.756 0.557 17858 4407 1 12 . 1 1 78 78 GLU N N 481 120.828 120.828 123.378 -2.550 17858 4408 1 12 . 1 1 78 78 GLU HA H 481 4.089 4.089 4.486 -0.397 17858 4409 1 12 . 1 1 78 78 GLU CA C 481 56.521 56.521 55.929 0.592 17858 4410 1 12 . 1 1 78 78 GLU CB C 481 31.032 31.032 32.083 -1.050 17858 4411 1 12 . 1 1 78 78 GLU H H 481 8.328 8.328 8.570 -0.242 17858 4412 1 12 . 1 1 79 79 LYS N N 482 123.778 123.778 122.964 0.814 17858 4413 1 12 . 1 1 79 79 LYS HA H 482 4.166 4.166 4.506 -0.340 17858 4414 1 12 . 1 1 79 79 LYS CA C 482 56.581 56.581 56.131 0.450 17858 4415 1 12 . 1 1 79 79 LYS CB C 482 33.279 33.279 32.920 0.359 17858 4416 1 12 . 1 1 79 79 LYS H H 482 8.332 8.332 8.701 -0.369 17858 4417 1 13 . 1 1 2 2 PRO HA H 405 4.356 4.356 4.678 -0.322 17858 4418 1 13 . 1 1 2 2 PRO CA C 405 63.329 63.329 62.611 0.718 17858 4419 1 13 . 1 1 2 2 PRO CB C 405 32.603 32.603 32.410 0.194 17858 4420 1 13 . 1 1 3 3 LEU N N 406 122.497 122.497 121.587 0.910 17858 4421 1 13 . 1 1 3 3 LEU HA H 406 4.231 4.231 4.630 -0.399 17858 4422 1 13 . 1 1 3 3 LEU CA C 406 55.838 55.838 54.266 1.572 17858 4423 1 13 . 1 1 3 3 LEU CB C 406 42.529 42.529 44.658 -2.129 17858 4424 1 13 . 1 1 3 3 LEU H H 406 8.571 8.571 8.197 0.374 17858 4425 1 13 . 1 1 4 4 GLY N N 407 110.132 110.132 108.159 1.973 17858 4426 1 13 . 1 1 4 4 GLY CA C 407 45.746 45.746 45.059 0.688 17858 4427 1 13 . 1 1 4 4 GLY H H 407 8.504 8.504 8.312 0.192 17858 4428 1 13 . 1 1 5 5 SER N N 408 114.820 114.820 116.381 -1.561 17858 4429 1 13 . 1 1 5 5 SER HA H 408 4.321 4.321 4.618 -0.297 17858 4430 1 13 . 1 1 5 5 SER CA C 408 58.629 58.629 57.819 0.810 17858 4431 1 13 . 1 1 5 5 SER CB C 408 64.171 64.171 63.399 0.772 17858 4432 1 13 . 1 1 5 5 SER H H 408 8.087 8.087 7.994 0.093 17858 4433 1 13 . 1 1 6 6 GLU N N 409 122.539 122.539 116.497 6.042 17858 4434 1 13 . 1 1 6 6 GLU HA H 409 4.137 4.137 4.517 -0.380 17858 4435 1 13 . 1 1 6 6 GLU CA C 409 57.076 57.076 56.501 0.575 17858 4436 1 13 . 1 1 6 6 GLU CB C 409 30.420 30.420 29.662 0.758 17858 4437 1 13 . 1 1 6 6 GLU H H 409 8.483 8.483 7.682 0.801 17858 4438 1 13 . 1 1 7 7 LYS N N 410 120.141 120.141 122.257 -2.116 17858 4439 1 13 . 1 1 7 7 LYS HA H 410 4.332 4.332 4.484 -0.152 17858 4440 1 13 . 1 1 7 7 LYS CA C 410 56.279 56.279 56.594 -0.315 17858 4441 1 13 . 1 1 7 7 LYS CB C 410 33.875 33.875 32.747 1.128 17858 4442 1 13 . 1 1 7 7 LYS H H 410 7.997 7.997 8.333 -0.336 17858 4443 1 13 . 1 1 8 8 SER N N 411 114.672 114.672 114.915 -0.243 17858 4444 1 13 . 1 1 8 8 SER HA H 411 4.542 4.542 4.735 -0.193 17858 4445 1 13 . 1 1 8 8 SER CA C 411 56.092 56.092 56.708 -0.616 17858 4446 1 13 . 1 1 8 8 SER CB C 411 65.009 65.009 64.323 0.686 17858 4447 1 13 . 1 1 8 8 SER H H 411 8.214 8.214 7.530 0.684 17858 4448 1 13 . 1 1 9 9 LEU N N 412 122.535 122.535 121.875 0.660 17858 4449 1 13 . 1 1 9 9 LEU HA H 412 3.938 3.938 4.518 -0.580 17858 4450 1 13 . 1 1 9 9 LEU CA C 412 55.495 55.495 53.675 1.820 17858 4451 1 13 . 1 1 9 9 LEU CB C 412 42.864 42.864 41.350 1.514 17858 4452 1 13 . 1 1 9 9 LEU H H 412 8.487 8.487 8.632 -0.145 17858 4453 1 13 . 1 1 10 10 GLU N N 413 121.582 121.582 118.232 3.350 17858 4454 1 13 . 1 1 10 10 GLU HA H 413 3.804 3.804 4.584 -0.780 17858 4455 1 13 . 1 1 10 10 GLU CA C 413 57.749 57.749 54.905 2.844 17858 4456 1 13 . 1 1 10 10 GLU CB C 413 29.807 29.807 31.698 -1.891 17858 4457 1 13 . 1 1 10 10 GLU H H 413 8.483 8.483 8.104 0.379 17858 4458 1 13 . 1 1 11 11 GLN N N 414 124.052 124.052 118.628 5.424 17858 4459 1 13 . 1 1 11 11 GLN HA H 414 3.768 3.768 4.755 -0.987 17858 4460 1 13 . 1 1 11 11 GLN CA C 414 55.415 55.415 54.546 0.869 17858 4461 1 13 . 1 1 11 11 GLN CB C 414 29.918 29.918 31.466 -1.548 17858 4462 1 13 . 1 1 11 11 GLN H H 414 8.475 8.475 8.511 -0.036 17858 4463 1 13 . 1 1 12 12 CYS N N 415 129.067 129.067 124.120 4.947 17858 4464 1 13 . 1 1 12 12 CYS HA H 415 3.668 3.668 4.260 -0.592 17858 4465 1 13 . 1 1 12 12 CYS CA C 415 61.173 61.173 60.712 0.461 17858 4466 1 13 . 1 1 12 12 CYS CB C 415 30.342 30.342 28.396 1.946 17858 4467 1 13 . 1 1 12 12 CYS H H 415 9.290 9.290 8.385 0.905 17858 4468 1 13 . 1 1 13 13 LYS N N 416 129.282 129.282 121.707 7.575 17858 4469 1 13 . 1 1 13 13 LYS HA H 416 3.814 3.814 4.691 -0.877 17858 4470 1 13 . 1 1 13 13 LYS CA C 416 58.772 58.772 56.435 2.337 17858 4471 1 13 . 1 1 13 13 LYS CB C 416 32.186 32.186 31.935 0.251 17858 4472 1 13 . 1 1 13 13 LYS H H 416 8.623 8.623 8.936 -0.313 17858 4473 1 13 . 1 1 14 14 PHE N N 417 119.338 119.338 118.207 1.131 17858 4474 1 13 . 1 1 14 14 PHE HA H 417 4.613 4.613 4.675 -0.062 17858 4475 1 13 . 1 1 14 14 PHE CA C 417 58.971 58.971 58.229 0.742 17858 4476 1 13 . 1 1 14 14 PHE CB C 417 39.352 39.352 40.498 -1.146 17858 4477 1 13 . 1 1 14 14 PHE H H 417 8.603 8.603 7.717 0.886 17858 4478 1 13 . 1 1 15 15 GLY N N 418 107.206 107.206 108.578 -1.372 17858 4479 1 13 . 1 1 15 15 GLY CA C 418 47.937 47.937 46.347 1.590 17858 4480 1 13 . 1 1 15 15 GLY H H 418 7.472 7.472 8.440 -0.968 17858 4481 1 13 . 1 1 16 16 THR N N 419 117.234 117.234 117.425 -0.191 17858 4482 1 13 . 1 1 16 16 THR HA H 419 4.002 4.002 4.502 -0.500 17858 4483 1 13 . 1 1 16 16 THR CA C 419 63.842 63.842 62.228 1.614 17858 4484 1 13 . 1 1 16 16 THR CB C 419 68.778 68.778 67.670 1.108 17858 4485 1 13 . 1 1 16 16 THR H H 419 8.740 8.740 8.458 0.282 17858 4486 1 13 . 1 1 17 17 HIS N N 420 118.028 118.028 120.654 -2.626 17858 4487 1 13 . 1 1 17 17 HIS HA H 420 4.581 4.581 4.536 0.045 17858 4488 1 13 . 1 1 17 17 HIS CA C 420 55.612 55.612 56.571 -0.959 17858 4489 1 13 . 1 1 17 17 HIS CB C 420 29.751 29.751 30.534 -0.783 17858 4490 1 13 . 1 1 17 17 HIS H H 420 8.059 8.059 7.952 0.107 17858 4491 1 13 . 1 1 18 18 CYS N N 421 122.824 122.824 121.216 1.608 17858 4492 1 13 . 1 1 18 18 CYS HA H 421 3.849 3.849 4.570 -0.721 17858 4493 1 13 . 1 1 18 18 CYS CA C 421 61.733 61.733 58.790 2.943 17858 4494 1 13 . 1 1 18 18 CYS CB C 421 30.570 30.570 27.029 3.541 17858 4495 1 13 . 1 1 18 18 CYS H H 421 7.288 7.288 8.502 -1.214 17858 4496 1 13 . 1 1 19 19 THR N N 422 119.018 119.018 122.206 -3.188 17858 4497 1 13 . 1 1 19 19 THR HA H 422 4.348 4.348 4.505 -0.157 17858 4498 1 13 . 1 1 19 19 THR CA C 422 61.292 61.292 61.008 0.284 17858 4499 1 13 . 1 1 19 19 THR CB C 422 69.612 69.612 68.149 1.463 17858 4500 1 13 . 1 1 19 19 THR H H 422 8.435 8.435 8.319 0.116 17858 4501 1 13 . 1 1 20 20 ASN N N 423 121.923 121.923 120.300 1.623 17858 4502 1 13 . 1 1 20 20 ASN HA H 423 4.690 4.690 4.887 -0.197 17858 4503 1 13 . 1 1 20 20 ASN CA C 423 52.203 52.203 52.443 -0.240 17858 4504 1 13 . 1 1 20 20 ASN CB C 423 38.747 38.747 40.943 -2.196 17858 4505 1 13 . 1 1 20 20 ASN H H 423 7.924 7.924 7.968 -0.044 17858 4506 1 13 . 1 1 21 21 LYS N N 424 127.775 127.775 121.974 5.801 17858 4507 1 13 . 1 1 21 21 LYS HA H 424 3.922 3.922 4.154 -0.232 17858 4508 1 13 . 1 1 21 21 LYS CA C 424 58.647 58.647 57.907 0.740 17858 4509 1 13 . 1 1 21 21 LYS CB C 424 32.289 32.289 32.997 -0.708 17858 4510 1 13 . 1 1 21 21 LYS H H 424 9.094 9.094 8.621 0.473 17858 4511 1 13 . 1 1 22 22 ARG N N 425 116.206 116.206 115.609 0.597 17858 4512 1 13 . 1 1 22 22 ARG HA H 425 4.270 4.270 4.485 -0.215 17858 4513 1 13 . 1 1 22 22 ARG CA C 425 54.832 54.832 54.646 0.186 17858 4514 1 13 . 1 1 22 22 ARG CB C 425 29.549 29.549 28.870 0.679 17858 4515 1 13 . 1 1 22 22 ARG H H 425 7.825 7.825 7.712 0.113 17858 4516 1 13 . 1 1 23 23 CYS N N 426 123.387 123.387 121.404 1.983 17858 4517 1 13 . 1 1 23 23 CYS HA H 426 3.867 3.867 4.478 -0.611 17858 4518 1 13 . 1 1 23 23 CYS CA C 426 62.205 62.205 60.515 1.690 17858 4519 1 13 . 1 1 23 23 CYS CB C 426 30.940 30.940 28.898 2.042 17858 4520 1 13 . 1 1 23 23 CYS H H 426 7.273 7.273 8.321 -1.048 17858 4521 1 13 . 1 1 24 24 LYS N N 427 128.443 128.443 128.545 -0.102 17858 4522 1 13 . 1 1 24 24 LYS HA H 427 4.299 4.299 4.153 0.146 17858 4523 1 13 . 1 1 24 24 LYS CA C 427 57.047 57.047 55.153 1.894 17858 4524 1 13 . 1 1 24 24 LYS CB C 427 33.275 33.275 31.719 1.556 17858 4525 1 13 . 1 1 24 24 LYS H H 427 8.525 8.525 8.476 0.049 17858 4526 1 13 . 1 1 25 25 TYR N N 428 123.059 123.059 115.940 7.119 17858 4527 1 13 . 1 1 25 25 TYR HA H 428 4.569 4.569 4.486 0.083 17858 4528 1 13 . 1 1 25 25 TYR CA C 428 58.470 58.470 56.870 1.600 17858 4529 1 13 . 1 1 25 25 TYR CB C 428 39.830 39.830 40.665 -0.835 17858 4530 1 13 . 1 1 25 25 TYR H H 428 8.066 8.066 7.151 0.915 17858 4531 1 13 . 1 1 26 26 ARG N N 429 116.840 116.840 118.512 -1.672 17858 4532 1 13 . 1 1 26 26 ARG HA H 429 4.429 4.429 4.534 -0.105 17858 4533 1 13 . 1 1 26 26 ARG CA C 429 58.979 58.979 53.711 5.268 17858 4534 1 13 . 1 1 26 26 ARG CB C 429 33.073 33.073 32.390 0.683 17858 4535 1 13 . 1 1 26 26 ARG H H 429 8.275 8.275 8.489 -0.214 17858 4536 1 13 . 1 1 27 27 HIS N N 430 117.522 117.522 121.031 -3.509 17858 4537 1 13 . 1 1 27 27 HIS HA H 430 4.553 4.553 4.841 -0.288 17858 4538 1 13 . 1 1 27 27 HIS CA C 430 56.912 56.912 55.169 1.743 17858 4539 1 13 . 1 1 27 27 HIS CB C 430 30.715 30.715 33.872 -3.157 17858 4540 1 13 . 1 1 27 27 HIS H H 430 8.154 8.154 8.825 -0.671 17858 4541 1 13 . 1 1 28 28 ALA N N 431 126.087 126.087 126.253 -0.166 17858 4542 1 13 . 1 1 28 28 ALA HA H 431 4.106 4.106 4.521 -0.415 17858 4543 1 13 . 1 1 28 28 ALA CA C 431 51.833 51.833 51.968 -0.135 17858 4544 1 13 . 1 1 28 28 ALA CB C 431 18.291 18.291 19.456 -1.165 17858 4545 1 13 . 1 1 28 28 ALA H H 431 8.061 8.061 8.815 -0.754 17858 4546 1 13 . 1 1 29 29 ARG N N 432 121.538 121.538 122.336 -0.798 17858 4547 1 13 . 1 1 29 29 ARG HA H 432 4.280 4.280 4.589 -0.309 17858 4548 1 13 . 1 1 29 29 ARG CA C 432 55.492 55.492 56.059 -0.567 17858 4549 1 13 . 1 1 29 29 ARG CB C 432 31.353 31.353 30.511 0.842 17858 4550 1 13 . 1 1 29 29 ARG H H 432 8.630 8.630 8.924 -0.294 17858 4551 1 13 . 1 1 30 30 SER N N 433 112.439 112.439 114.504 -2.065 17858 4552 1 13 . 1 1 30 30 SER HA H 433 4.463 4.463 4.486 -0.023 17858 4553 1 13 . 1 1 30 30 SER CA C 433 56.566 56.566 57.389 -0.822 17858 4554 1 13 . 1 1 30 30 SER CB C 433 64.803 64.803 64.255 0.548 17858 4555 1 13 . 1 1 30 30 SER H H 433 7.450 7.450 7.761 -0.311 17858 4556 1 13 . 1 1 31 31 HIS N N 434 121.494 121.494 118.310 3.184 17858 4557 1 13 . 1 1 31 31 HIS HA H 434 4.279 4.279 4.588 -0.309 17858 4558 1 13 . 1 1 31 31 HIS CA C 434 56.955 56.955 55.257 1.698 17858 4559 1 13 . 1 1 31 31 HIS CB C 434 29.834 29.834 28.924 0.910 17858 4560 1 13 . 1 1 31 31 HIS H H 434 8.132 8.132 8.404 -0.272 17858 4561 1 13 . 1 1 32 32 ILE N N 435 123.851 123.851 123.529 0.322 17858 4562 1 13 . 1 1 32 32 ILE HA H 435 3.506 3.506 3.860 -0.354 17858 4563 1 13 . 1 1 32 32 ILE CA C 435 61.345 61.345 59.205 2.140 17858 4564 1 13 . 1 1 32 32 ILE CB C 435 37.765 37.765 36.481 1.284 17858 4565 1 13 . 1 1 32 32 ILE H H 435 7.858 7.858 7.983 -0.125 17858 4566 1 13 . 1 1 33 33 MET N N 436 125.294 125.294 124.581 0.713 17858 4567 1 13 . 1 1 33 33 MET HA H 436 4.050 4.050 4.673 -0.623 17858 4568 1 13 . 1 1 33 33 MET CA C 436 54.733 54.733 55.997 -1.264 17858 4569 1 13 . 1 1 33 33 MET CB C 436 31.934 31.934 33.764 -1.829 17858 4570 1 13 . 1 1 33 33 MET H H 436 8.317 8.317 8.349 -0.032 17858 4571 1 13 . 1 1 34 34 CYS N N 437 127.958 127.958 119.224 8.734 17858 4572 1 13 . 1 1 34 34 CYS HA H 437 3.389 3.389 5.104 -1.715 17858 4573 1 13 . 1 1 34 34 CYS CA C 437 61.544 61.544 58.196 3.348 17858 4574 1 13 . 1 1 34 34 CYS CB C 437 31.325 31.325 29.925 1.400 17858 4575 1 13 . 1 1 34 34 CYS H H 437 9.255 9.255 8.394 0.861 17858 4576 1 13 . 1 1 35 35 ARG N N 438 131.582 131.582 126.697 4.885 17858 4577 1 13 . 1 1 35 35 ARG HA H 438 3.887 3.887 4.142 -0.255 17858 4578 1 13 . 1 1 35 35 ARG CA C 438 59.466 59.466 58.906 0.561 17858 4579 1 13 . 1 1 35 35 ARG CB C 438 30.251 30.251 30.107 0.144 17858 4580 1 13 . 1 1 35 35 ARG H H 438 8.645 8.645 9.148 -0.503 17858 4581 1 13 . 1 1 36 36 GLU N N 439 117.530 117.530 118.270 -0.740 17858 4582 1 13 . 1 1 36 36 GLU HA H 439 4.284 4.284 4.332 -0.048 17858 4583 1 13 . 1 1 36 36 GLU CA C 439 57.440 57.440 55.810 1.630 17858 4584 1 13 . 1 1 36 36 GLU CB C 439 30.295 30.295 29.649 0.646 17858 4585 1 13 . 1 1 36 36 GLU H H 439 8.302 8.302 8.200 0.102 17858 4586 1 13 . 1 1 37 37 GLY N N 440 107.589 107.589 108.853 -1.264 17858 4587 1 13 . 1 1 37 37 GLY CA C 440 47.353 47.353 45.852 1.501 17858 4588 1 13 . 1 1 37 37 GLY H H 440 7.518 7.518 8.206 -0.688 17858 4589 1 13 . 1 1 38 38 ALA N N 441 126.673 126.673 125.681 0.992 17858 4590 1 13 . 1 1 38 38 ALA HA H 441 4.180 4.180 4.183 -0.003 17858 4591 1 13 . 1 1 38 38 ALA CA C 441 53.717 53.717 52.834 0.883 17858 4592 1 13 . 1 1 38 38 ALA CB C 441 19.127 19.127 18.519 0.608 17858 4593 1 13 . 1 1 38 38 ALA H H 441 9.114 9.114 8.465 0.649 17858 4594 1 13 . 1 1 39 39 ASN N N 442 113.951 113.951 115.855 -1.904 17858 4595 1 13 . 1 1 39 39 ASN HA H 442 4.655 4.655 4.721 -0.066 17858 4596 1 13 . 1 1 39 39 ASN CA C 442 52.940 52.940 53.149 -0.209 17858 4597 1 13 . 1 1 39 39 ASN CB C 442 39.264 39.264 39.462 -0.198 17858 4598 1 13 . 1 1 39 39 ASN H H 442 8.072 8.072 7.724 0.348 17858 4599 1 13 . 1 1 40 40 CYS N N 443 122.245 122.245 120.117 2.128 17858 4600 1 13 . 1 1 40 40 CYS HA H 443 4.070 4.070 4.204 -0.134 17858 4601 1 13 . 1 1 40 40 CYS CA C 443 60.661 60.661 60.065 0.596 17858 4602 1 13 . 1 1 40 40 CYS CB C 443 31.037 31.037 27.791 3.246 17858 4603 1 13 . 1 1 40 40 CYS H H 443 7.237 7.237 7.257 -0.020 17858 4604 1 13 . 1 1 41 41 THR N N 444 120.684 120.684 116.649 4.035 17858 4605 1 13 . 1 1 41 41 THR HA H 444 4.411 4.411 4.341 0.070 17858 4606 1 13 . 1 1 41 41 THR CA C 444 61.110 61.110 61.741 -0.631 17858 4607 1 13 . 1 1 41 41 THR CB C 444 68.937 68.937 68.519 0.418 17858 4608 1 13 . 1 1 41 41 THR H H 444 9.033 9.033 8.334 0.699 17858 4609 1 13 . 1 1 42 42 ARG N N 445 123.977 123.977 120.975 3.002 17858 4610 1 13 . 1 1 42 42 ARG HA H 445 4.329 4.329 4.468 -0.139 17858 4611 1 13 . 1 1 42 42 ARG CA C 445 56.416 56.416 55.572 0.844 17858 4612 1 13 . 1 1 42 42 ARG CB C 445 30.604 30.604 32.497 -1.893 17858 4613 1 13 . 1 1 42 42 ARG H H 445 7.927 7.927 7.551 0.376 17858 4614 1 13 . 1 1 43 43 ILE N N 446 132.203 132.203 122.057 10.146 17858 4615 1 13 . 1 1 43 43 ILE HA H 446 3.609 3.609 4.326 -0.717 17858 4616 1 13 . 1 1 43 43 ILE CA C 446 63.023 63.023 61.603 1.420 17858 4617 1 13 . 1 1 43 43 ILE CB C 446 38.463 38.463 38.623 -0.161 17858 4618 1 13 . 1 1 43 43 ILE H H 446 9.010 9.010 8.472 0.538 17858 4619 1 13 . 1 1 44 44 ASP N N 447 116.309 116.309 119.104 -2.795 17858 4620 1 13 . 1 1 44 44 ASP HA H 447 4.555 4.555 4.761 -0.206 17858 4621 1 13 . 1 1 44 44 ASP CA C 447 52.727 52.727 53.675 -0.947 17858 4622 1 13 . 1 1 44 44 ASP CB C 447 40.177 40.177 39.696 0.481 17858 4623 1 13 . 1 1 44 44 ASP H H 447 8.191 8.191 8.207 -0.016 17858 4624 1 13 . 1 1 45 45 CYS N N 448 121.173 121.173 119.575 1.598 17858 4625 1 13 . 1 1 45 45 CYS HA H 448 3.913 3.913 4.552 -0.639 17858 4626 1 13 . 1 1 45 45 CYS CA C 448 62.082 62.082 58.631 3.451 17858 4627 1 13 . 1 1 45 45 CYS CB C 448 31.510 31.510 27.359 4.151 17858 4628 1 13 . 1 1 45 45 CYS H H 448 7.113 7.113 7.908 -0.795 17858 4629 1 13 . 1 1 46 46 LEU N N 449 128.150 128.150 129.772 -1.622 17858 4630 1 13 . 1 1 46 46 LEU HA H 449 4.657 4.657 4.733 -0.076 17858 4631 1 13 . 1 1 46 46 LEU CA C 449 55.144 55.144 54.015 1.129 17858 4632 1 13 . 1 1 46 46 LEU CB C 449 43.004 43.004 41.252 1.752 17858 4633 1 13 . 1 1 46 46 LEU H H 449 8.451 8.451 8.642 -0.191 17858 4634 1 13 . 1 1 47 47 PHE N N 450 120.646 120.646 119.913 0.733 17858 4635 1 13 . 1 1 47 47 PHE HA H 450 4.527 4.527 4.837 -0.310 17858 4636 1 13 . 1 1 47 47 PHE CA C 450 58.198 58.198 54.722 3.476 17858 4637 1 13 . 1 1 47 47 PHE CB C 450 39.901 39.901 40.911 -1.010 17858 4638 1 13 . 1 1 47 47 PHE H H 450 8.390 8.390 7.204 1.186 17858 4639 1 13 . 1 1 48 48 GLY N N 451 104.118 104.118 108.990 -4.872 17858 4640 1 13 . 1 1 48 48 GLY CA C 451 47.675 47.675 44.862 2.813 17858 4641 1 13 . 1 1 48 48 GLY H H 451 8.643 8.643 8.322 0.321 17858 4642 1 13 . 1 1 49 49 HIS N N 452 119.710 119.710 125.018 -5.308 17858 4643 1 13 . 1 1 49 49 HIS HA H 452 4.725 4.725 4.790 -0.065 17858 4644 1 13 . 1 1 49 49 HIS CA C 452 54.408 54.408 52.486 1.922 17858 4645 1 13 . 1 1 49 49 HIS CB C 452 29.515 29.515 31.444 -1.929 17858 4646 1 13 . 1 1 49 49 HIS H H 452 6.951 6.951 8.020 -1.069 17858 4647 1 13 . 1 1 50 50 PRO HA H 453 4.291 4.291 4.365 -0.074 17858 4648 1 13 . 1 1 50 50 PRO CA C 453 63.872 63.872 63.055 0.817 17858 4649 1 13 . 1 1 50 50 PRO CB C 453 32.724 32.724 32.683 0.041 17858 4650 1 13 . 1 1 51 51 ILE N N 454 122.942 122.942 118.966 3.976 17858 4651 1 13 . 1 1 51 51 ILE HA H 454 3.787 3.787 4.279 -0.492 17858 4652 1 13 . 1 1 51 51 ILE CA C 454 61.010 61.010 60.076 0.934 17858 4653 1 13 . 1 1 51 51 ILE CB C 454 40.204 40.204 42.931 -2.727 17858 4654 1 13 . 1 1 51 51 ILE H H 454 8.189 8.189 7.850 0.339 17858 4655 1 13 . 1 1 52 52 ASN N N 455 128.496 128.496 124.781 3.715 17858 4656 1 13 . 1 1 52 52 ASN HA H 455 4.641 4.641 4.645 -0.004 17858 4657 1 13 . 1 1 52 52 ASN CA C 455 52.832 52.832 54.130 -1.298 17858 4658 1 13 . 1 1 52 52 ASN CB C 455 36.969 36.969 38.661 -1.692 17858 4659 1 13 . 1 1 52 52 ASN H H 455 8.791 8.791 8.703 0.088 17858 4660 1 13 . 1 1 53 53 GLU N N 456 120.059 120.059 123.170 -3.111 17858 4661 1 13 . 1 1 53 53 GLU HA H 456 4.318 4.318 4.528 -0.210 17858 4662 1 13 . 1 1 53 53 GLU CA C 456 55.588 55.588 55.158 0.430 17858 4663 1 13 . 1 1 53 53 GLU CB C 456 33.826 33.826 34.328 -0.502 17858 4664 1 13 . 1 1 53 53 GLU H H 456 8.177 8.177 8.002 0.175 17858 4665 1 13 . 1 1 54 54 ASP N N 457 124.404 124.404 122.694 1.710 17858 4666 1 13 . 1 1 54 54 ASP HA H 457 4.446 4.446 5.231 -0.785 17858 4667 1 13 . 1 1 54 54 ASP CA C 457 55.594 55.594 53.147 2.447 17858 4668 1 13 . 1 1 54 54 ASP CB C 457 41.033 41.033 41.767 -0.734 17858 4669 1 13 . 1 1 54 54 ASP H H 457 8.923 8.923 8.408 0.515 17858 4670 1 13 . 1 1 55 55 CYS N N 458 125.765 125.765 124.585 1.180 17858 4671 1 13 . 1 1 55 55 CYS HA H 458 3.360 3.360 4.197 -0.837 17858 4672 1 13 . 1 1 55 55 CYS CA C 458 61.284 61.284 59.752 1.532 17858 4673 1 13 . 1 1 55 55 CYS CB C 458 31.125 31.125 28.986 2.139 17858 4674 1 13 . 1 1 55 55 CYS H H 458 9.113 9.113 7.972 1.141 17858 4675 1 13 . 1 1 56 56 ARG N N 459 130.790 130.790 123.315 7.475 17858 4676 1 13 . 1 1 56 56 ARG HA H 459 3.875 3.875 4.146 -0.271 17858 4677 1 13 . 1 1 56 56 ARG CA C 459 58.610 58.610 57.932 0.678 17858 4678 1 13 . 1 1 56 56 ARG CB C 459 29.566 29.566 29.789 -0.223 17858 4679 1 13 . 1 1 56 56 ARG H H 459 8.601 8.601 8.585 0.016 17858 4680 1 13 . 1 1 57 57 PHE N N 460 119.175 119.175 119.068 0.107 17858 4681 1 13 . 1 1 57 57 PHE HA H 460 4.560 4.560 4.406 0.154 17858 4682 1 13 . 1 1 57 57 PHE CA C 460 58.367 58.367 58.745 -0.378 17858 4683 1 13 . 1 1 57 57 PHE CB C 460 39.049 39.049 40.083 -1.034 17858 4684 1 13 . 1 1 57 57 PHE H H 460 8.589 8.589 7.713 0.876 17858 4685 1 13 . 1 1 58 58 GLY N N 461 107.317 107.317 106.124 1.193 17858 4686 1 13 . 1 1 58 58 GLY CA C 461 47.253 47.253 45.319 1.934 17858 4687 1 13 . 1 1 58 58 GLY H H 461 7.386 7.386 8.521 -1.135 17858 4688 1 13 . 1 1 59 59 VAL N N 462 120.829 120.829 118.530 2.299 17858 4689 1 13 . 1 1 59 59 VAL HA H 462 3.674 3.674 4.303 -0.629 17858 4690 1 13 . 1 1 59 59 VAL CA C 462 64.142 64.142 62.454 1.688 17858 4691 1 13 . 1 1 59 59 VAL CB C 462 32.275 32.275 31.380 0.895 17858 4692 1 13 . 1 1 59 59 VAL H H 462 8.881 8.881 8.380 0.501 17858 4693 1 13 . 1 1 60 60 ASN N N 463 114.923 114.923 118.192 -3.269 17858 4694 1 13 . 1 1 60 60 ASN HA H 463 4.667 4.667 4.644 0.023 17858 4695 1 13 . 1 1 60 60 ASN CA C 463 53.316 53.316 53.670 -0.354 17858 4696 1 13 . 1 1 60 60 ASN CB C 463 39.355 39.355 38.862 0.493 17858 4697 1 13 . 1 1 60 60 ASN H H 463 7.819 7.819 8.260 -0.441 17858 4698 1 13 . 1 1 61 61 CYS N N 464 121.670 121.670 121.003 0.667 17858 4699 1 13 . 1 1 61 61 CYS HA H 464 3.770 3.770 3.982 -0.212 17858 4700 1 13 . 1 1 61 61 CYS CA C 464 61.725 61.725 60.099 1.626 17858 4701 1 13 . 1 1 61 61 CYS CB C 464 30.891 30.891 26.623 4.268 17858 4702 1 13 . 1 1 61 61 CYS H H 464 7.049 7.049 8.198 -1.149 17858 4703 1 13 . 1 1 62 62 LYS N N 465 131.072 131.072 126.590 4.482 17858 4704 1 13 . 1 1 62 62 LYS HA H 465 4.312 4.312 4.345 -0.033 17858 4705 1 13 . 1 1 62 62 LYS CA C 465 55.230 55.230 55.955 -0.725 17858 4706 1 13 . 1 1 62 62 LYS CB C 465 32.794 32.794 32.303 0.491 17858 4707 1 13 . 1 1 62 62 LYS H H 465 8.836 8.836 8.301 0.535 17858 4708 1 13 . 1 1 63 63 ASN N N 466 119.130 119.130 117.347 1.783 17858 4709 1 13 . 1 1 63 63 ASN HA H 466 4.596 4.596 4.524 0.072 17858 4710 1 13 . 1 1 63 63 ASN CA C 466 52.210 52.210 51.671 0.539 17858 4711 1 13 . 1 1 63 63 ASN CB C 466 38.827 38.827 39.740 -0.913 17858 4712 1 13 . 1 1 63 63 ASN H H 466 7.660 7.660 7.616 0.044 17858 4713 1 13 . 1 1 64 64 ILE N N 467 125.111 125.111 119.440 5.671 17858 4714 1 13 . 1 1 64 64 ILE HA H 467 3.539 3.539 4.284 -0.745 17858 4715 1 13 . 1 1 64 64 ILE CA C 467 64.493 64.493 60.743 3.750 17858 4716 1 13 . 1 1 64 64 ILE CB C 467 38.068 38.068 38.179 -0.111 17858 4717 1 13 . 1 1 64 64 ILE H H 467 8.475 8.475 7.737 0.738 17858 4718 1 13 . 1 1 65 65 TYR N N 468 118.920 118.920 115.410 3.510 17858 4719 1 13 . 1 1 65 65 TYR HA H 468 4.538 4.538 4.749 -0.211 17858 4720 1 13 . 1 1 65 65 TYR CA C 468 57.003 57.003 54.340 2.663 17858 4721 1 13 . 1 1 65 65 TYR CB C 468 37.716 37.716 37.334 0.382 17858 4722 1 13 . 1 1 65 65 TYR H H 468 7.462 7.462 6.940 0.522 17858 4723 1 13 . 1 1 66 66 CYS N N 469 122.658 122.658 121.137 1.521 17858 4724 1 13 . 1 1 66 66 CYS HA H 469 4.009 4.009 4.589 -0.580 17858 4725 1 13 . 1 1 66 66 CYS CA C 469 62.039 62.039 58.163 3.876 17858 4726 1 13 . 1 1 66 66 CYS CB C 469 31.455 31.455 28.185 3.270 17858 4727 1 13 . 1 1 66 66 CYS H H 469 7.305 7.305 8.237 -0.932 17858 4728 1 13 . 1 1 67 67 LEU N N 470 130.238 130.238 127.221 3.017 17858 4729 1 13 . 1 1 67 67 LEU HA H 470 4.353 4.353 4.454 -0.101 17858 4730 1 13 . 1 1 67 67 LEU CA C 470 55.947 55.947 54.240 1.707 17858 4731 1 13 . 1 1 67 67 LEU CB C 470 42.125 42.125 41.352 0.773 17858 4732 1 13 . 1 1 67 67 LEU H H 470 9.002 9.002 8.332 0.670 17858 4733 1 13 . 1 1 68 68 PHE N N 471 120.946 120.946 117.518 3.428 17858 4734 1 13 . 1 1 68 68 PHE HA H 471 4.576 4.576 4.570 0.006 17858 4735 1 13 . 1 1 68 68 PHE CA C 471 59.242 59.242 55.586 3.656 17858 4736 1 13 . 1 1 68 68 PHE CB C 471 39.865 39.865 40.551 -0.686 17858 4737 1 13 . 1 1 68 68 PHE H H 471 8.519 8.519 7.010 1.509 17858 4738 1 13 . 1 1 69 69 ARG N N 472 116.975 116.975 120.376 -3.401 17858 4739 1 13 . 1 1 69 69 ARG HA H 472 4.331 4.331 4.358 -0.027 17858 4740 1 13 . 1 1 69 69 ARG CA C 472 56.933 56.933 54.538 2.395 17858 4741 1 13 . 1 1 69 69 ARG CB C 472 31.822 31.822 31.360 0.462 17858 4742 1 13 . 1 1 69 69 ARG H H 472 8.417 8.417 8.801 -0.384 17858 4743 1 13 . 1 1 70 70 HIS N N 473 118.809 118.809 123.346 -4.537 17858 4744 1 13 . 1 1 70 70 HIS HA H 473 4.991 4.991 4.827 0.164 17858 4745 1 13 . 1 1 70 70 HIS CA C 473 55.311 55.311 53.977 1.333 17858 4746 1 13 . 1 1 70 70 HIS CB C 473 30.613 30.613 30.308 0.305 17858 4747 1 13 . 1 1 70 70 HIS H H 473 8.499 8.499 8.428 0.071 17858 4748 1 13 . 1 1 71 71 PRO HA H 474 4.742 4.742 4.539 0.203 17858 4749 1 13 . 1 1 71 71 PRO CA C 474 61.250 61.250 62.012 -0.762 17858 4750 1 13 . 1 1 71 71 PRO CB C 474 30.743 30.743 31.147 -0.404 17858 4751 1 13 . 1 1 72 72 PRO HA H 475 4.279 4.279 4.380 -0.101 17858 4752 1 13 . 1 1 72 72 PRO CA C 475 63.941 63.941 63.438 0.504 17858 4753 1 13 . 1 1 72 72 PRO CB C 475 32.122 32.122 31.394 0.728 17858 4754 1 13 . 1 1 73 73 GLY N N 476 106.525 106.525 112.174 -5.649 17858 4755 1 13 . 1 1 73 73 GLY CA C 476 45.142 45.142 44.833 0.309 17858 4756 1 13 . 1 1 73 73 GLY H H 476 8.359 8.359 8.804 -0.445 17858 4757 1 13 . 1 1 74 74 ARG N N 477 121.516 121.516 119.282 2.234 17858 4758 1 13 . 1 1 74 74 ARG HA H 477 4.223 4.223 4.455 -0.232 17858 4759 1 13 . 1 1 74 74 ARG CA C 477 57.021 57.021 55.579 1.442 17858 4760 1 13 . 1 1 74 74 ARG CB C 477 31.388 31.388 31.495 -0.107 17858 4761 1 13 . 1 1 74 74 ARG H H 477 7.255 7.255 7.739 -0.484 17858 4762 1 13 . 1 1 75 75 VAL N N 478 128.411 128.411 117.428 10.983 17858 4763 1 13 . 1 1 75 75 VAL HA H 478 4.054 4.054 4.218 -0.164 17858 4764 1 13 . 1 1 75 75 VAL CA C 478 61.925 61.925 62.209 -0.284 17858 4765 1 13 . 1 1 75 75 VAL CB C 478 33.788 33.788 33.994 -0.206 17858 4766 1 13 . 1 1 75 75 VAL H H 478 8.569 8.569 8.227 0.342 17858 4767 1 13 . 1 1 76 76 LEU N N 479 127.195 127.195 122.137 5.058 17858 4768 1 13 . 1 1 76 76 LEU HA H 479 4.462 4.462 4.813 -0.351 17858 4769 1 13 . 1 1 76 76 LEU CA C 479 52.474 52.474 52.429 0.045 17858 4770 1 13 . 1 1 76 76 LEU CB C 479 42.068 42.068 44.903 -2.834 17858 4771 1 13 . 1 1 76 76 LEU H H 479 8.338 8.338 8.418 -0.080 17858 4772 1 13 . 1 1 77 77 PRO HA H 480 4.251 4.251 4.408 -0.157 17858 4773 1 13 . 1 1 77 77 PRO CA C 480 63.072 63.072 62.868 0.203 17858 4774 1 13 . 1 1 77 77 PRO CB C 480 32.313 32.313 31.904 0.409 17858 4775 1 13 . 1 1 78 78 GLU N N 481 120.828 120.828 122.643 -1.815 17858 4776 1 13 . 1 1 78 78 GLU HA H 481 4.089 4.089 4.530 -0.441 17858 4777 1 13 . 1 1 78 78 GLU CA C 481 56.521 56.521 55.724 0.797 17858 4778 1 13 . 1 1 78 78 GLU CB C 481 31.032 31.032 31.680 -0.648 17858 4779 1 13 . 1 1 78 78 GLU H H 481 8.328 8.328 8.575 -0.247 17858 4780 1 13 . 1 1 79 79 LYS N N 482 123.778 123.778 122.226 1.552 17858 4781 1 13 . 1 1 79 79 LYS HA H 482 4.166 4.166 4.609 -0.443 17858 4782 1 13 . 1 1 79 79 LYS CA C 482 56.581 56.581 56.242 0.339 17858 4783 1 13 . 1 1 79 79 LYS CB C 482 33.279 33.279 33.516 -0.237 17858 4784 1 13 . 1 1 79 79 LYS H H 482 8.332 8.332 8.563 -0.231 17858 4785 1 14 . 1 1 2 2 PRO HA H 405 4.356 4.356 4.540 -0.184 17858 4786 1 14 . 1 1 2 2 PRO CA C 405 63.329 63.329 62.911 0.418 17858 4787 1 14 . 1 1 2 2 PRO CB C 405 32.603 32.603 32.235 0.368 17858 4788 1 14 . 1 1 3 3 LEU N N 406 122.497 122.497 123.410 -0.913 17858 4789 1 14 . 1 1 3 3 LEU HA H 406 4.231 4.231 4.509 -0.278 17858 4790 1 14 . 1 1 3 3 LEU CA C 406 55.838 55.838 54.946 0.892 17858 4791 1 14 . 1 1 3 3 LEU CB C 406 42.529 42.529 43.906 -1.377 17858 4792 1 14 . 1 1 3 3 LEU H H 406 8.571 8.571 8.436 0.135 17858 4793 1 14 . 1 1 4 4 GLY N N 407 110.132 110.132 110.912 -0.780 17858 4794 1 14 . 1 1 4 4 GLY CA C 407 45.746 45.746 44.354 1.392 17858 4795 1 14 . 1 1 4 4 GLY H H 407 8.504 8.504 8.332 0.172 17858 4796 1 14 . 1 1 5 5 SER N N 408 114.820 114.820 120.061 -5.241 17858 4797 1 14 . 1 1 5 5 SER HA H 408 4.321 4.321 4.652 -0.331 17858 4798 1 14 . 1 1 5 5 SER CA C 408 58.629 58.629 57.575 1.054 17858 4799 1 14 . 1 1 5 5 SER CB C 408 64.171 64.171 63.476 0.695 17858 4800 1 14 . 1 1 5 5 SER H H 408 8.087 8.087 8.519 -0.432 17858 4801 1 14 . 1 1 6 6 GLU N N 409 122.539 122.539 123.691 -1.152 17858 4802 1 14 . 1 1 6 6 GLU HA H 409 4.137 4.137 4.508 -0.371 17858 4803 1 14 . 1 1 6 6 GLU CA C 409 57.076 57.076 56.768 0.308 17858 4804 1 14 . 1 1 6 6 GLU CB C 409 30.420 30.420 29.654 0.766 17858 4805 1 14 . 1 1 6 6 GLU H H 409 8.483 8.483 8.752 -0.269 17858 4806 1 14 . 1 1 7 7 LYS N N 410 120.141 120.141 121.362 -1.221 17858 4807 1 14 . 1 1 7 7 LYS HA H 410 4.332 4.332 4.607 -0.275 17858 4808 1 14 . 1 1 7 7 LYS CA C 410 56.279 56.279 56.042 0.237 17858 4809 1 14 . 1 1 7 7 LYS CB C 410 33.875 33.875 32.622 1.253 17858 4810 1 14 . 1 1 7 7 LYS H H 410 7.997 7.997 8.427 -0.430 17858 4811 1 14 . 1 1 8 8 SER N N 411 114.672 114.672 115.939 -1.267 17858 4812 1 14 . 1 1 8 8 SER HA H 411 4.542 4.542 4.766 -0.224 17858 4813 1 14 . 1 1 8 8 SER CA C 411 56.092 56.092 56.576 -0.484 17858 4814 1 14 . 1 1 8 8 SER CB C 411 65.009 65.009 64.527 0.482 17858 4815 1 14 . 1 1 8 8 SER H H 411 8.214 8.214 7.927 0.287 17858 4816 1 14 . 1 1 9 9 LEU N N 412 122.535 122.535 122.249 0.286 17858 4817 1 14 . 1 1 9 9 LEU HA H 412 3.938 3.938 4.525 -0.587 17858 4818 1 14 . 1 1 9 9 LEU CA C 412 55.495 55.495 53.641 1.855 17858 4819 1 14 . 1 1 9 9 LEU CB C 412 42.864 42.864 40.633 2.231 17858 4820 1 14 . 1 1 9 9 LEU H H 412 8.487 8.487 8.646 -0.159 17858 4821 1 14 . 1 1 10 10 GLU N N 413 121.582 121.582 119.134 2.448 17858 4822 1 14 . 1 1 10 10 GLU HA H 413 3.804 3.804 4.288 -0.484 17858 4823 1 14 . 1 1 10 10 GLU CA C 413 57.749 57.749 55.253 2.496 17858 4824 1 14 . 1 1 10 10 GLU CB C 413 29.807 29.807 31.340 -1.533 17858 4825 1 14 . 1 1 10 10 GLU H H 413 8.483 8.483 8.042 0.441 17858 4826 1 14 . 1 1 11 11 GLN N N 414 124.052 124.052 119.036 5.016 17858 4827 1 14 . 1 1 11 11 GLN HA H 414 3.768 3.768 4.684 -0.916 17858 4828 1 14 . 1 1 11 11 GLN CA C 414 55.415 55.415 54.632 0.784 17858 4829 1 14 . 1 1 11 11 GLN CB C 414 29.918 29.918 31.623 -1.705 17858 4830 1 14 . 1 1 11 11 GLN H H 414 8.475 8.475 8.249 0.226 17858 4831 1 14 . 1 1 12 12 CYS N N 415 129.067 129.067 124.925 4.142 17858 4832 1 14 . 1 1 12 12 CYS HA H 415 3.668 3.668 4.643 -0.975 17858 4833 1 14 . 1 1 12 12 CYS CA C 415 61.173 61.173 60.244 0.929 17858 4834 1 14 . 1 1 12 12 CYS CB C 415 30.342 30.342 28.641 1.701 17858 4835 1 14 . 1 1 12 12 CYS H H 415 9.290 9.290 8.545 0.745 17858 4836 1 14 . 1 1 13 13 LYS N N 416 129.282 129.282 123.032 6.250 17858 4837 1 14 . 1 1 13 13 LYS HA H 416 3.814 3.814 4.761 -0.948 17858 4838 1 14 . 1 1 13 13 LYS CA C 416 58.772 58.772 56.560 2.212 17858 4839 1 14 . 1 1 13 13 LYS CB C 416 32.186 32.186 32.498 -0.312 17858 4840 1 14 . 1 1 13 13 LYS H H 416 8.623 8.623 8.973 -0.350 17858 4841 1 14 . 1 1 14 14 PHE N N 417 119.338 119.338 119.986 -0.648 17858 4842 1 14 . 1 1 14 14 PHE HA H 417 4.613 4.613 4.719 -0.106 17858 4843 1 14 . 1 1 14 14 PHE CA C 417 58.971 58.971 58.656 0.315 17858 4844 1 14 . 1 1 14 14 PHE CB C 417 39.352 39.352 40.323 -0.971 17858 4845 1 14 . 1 1 14 14 PHE H H 417 8.603 8.603 7.804 0.799 17858 4846 1 14 . 1 1 15 15 GLY N N 418 107.206 107.206 108.487 -1.281 17858 4847 1 14 . 1 1 15 15 GLY CA C 418 47.937 47.937 46.277 1.660 17858 4848 1 14 . 1 1 15 15 GLY H H 418 7.472 7.472 8.417 -0.945 17858 4849 1 14 . 1 1 16 16 THR N N 419 117.234 117.234 116.869 0.365 17858 4850 1 14 . 1 1 16 16 THR HA H 419 4.002 4.002 4.485 -0.483 17858 4851 1 14 . 1 1 16 16 THR CA C 419 63.842 63.842 62.275 1.567 17858 4852 1 14 . 1 1 16 16 THR CB C 419 68.778 68.778 67.241 1.537 17858 4853 1 14 . 1 1 16 16 THR H H 419 8.740 8.740 8.513 0.227 17858 4854 1 14 . 1 1 17 17 HIS N N 420 118.028 118.028 120.362 -2.334 17858 4855 1 14 . 1 1 17 17 HIS HA H 420 4.581 4.581 4.567 0.014 17858 4856 1 14 . 1 1 17 17 HIS CA C 420 55.612 55.612 56.376 -0.764 17858 4857 1 14 . 1 1 17 17 HIS CB C 420 29.751 29.751 30.766 -1.015 17858 4858 1 14 . 1 1 17 17 HIS H H 420 8.059 8.059 8.066 -0.007 17858 4859 1 14 . 1 1 18 18 CYS N N 421 122.824 122.824 121.477 1.347 17858 4860 1 14 . 1 1 18 18 CYS HA H 421 3.849 3.849 4.476 -0.627 17858 4861 1 14 . 1 1 18 18 CYS CA C 421 61.733 61.733 58.928 2.805 17858 4862 1 14 . 1 1 18 18 CYS CB C 421 30.570 30.570 27.020 3.550 17858 4863 1 14 . 1 1 18 18 CYS H H 421 7.288 7.288 8.563 -1.275 17858 4864 1 14 . 1 1 19 19 THR N N 422 119.018 119.018 121.806 -2.788 17858 4865 1 14 . 1 1 19 19 THR HA H 422 4.348 4.348 4.473 -0.125 17858 4866 1 14 . 1 1 19 19 THR CA C 422 61.292 61.292 61.049 0.243 17858 4867 1 14 . 1 1 19 19 THR CB C 422 69.612 69.612 68.149 1.463 17858 4868 1 14 . 1 1 19 19 THR H H 422 8.435 8.435 8.165 0.270 17858 4869 1 14 . 1 1 20 20 ASN N N 423 121.923 121.923 120.203 1.720 17858 4870 1 14 . 1 1 20 20 ASN HA H 423 4.690 4.690 4.842 -0.152 17858 4871 1 14 . 1 1 20 20 ASN CA C 423 52.203 52.203 52.514 -0.311 17858 4872 1 14 . 1 1 20 20 ASN CB C 423 38.747 38.747 41.222 -2.475 17858 4873 1 14 . 1 1 20 20 ASN H H 423 7.924 7.924 7.706 0.218 17858 4874 1 14 . 1 1 21 21 LYS N N 424 127.775 127.775 124.409 3.366 17858 4875 1 14 . 1 1 21 21 LYS HA H 424 3.922 3.922 4.077 -0.155 17858 4876 1 14 . 1 1 21 21 LYS CA C 424 58.647 58.647 58.229 0.418 17858 4877 1 14 . 1 1 21 21 LYS CB C 424 32.289 32.289 32.717 -0.428 17858 4878 1 14 . 1 1 21 21 LYS H H 424 9.094 9.094 8.622 0.472 17858 4879 1 14 . 1 1 22 22 ARG N N 425 116.206 116.206 118.639 -2.433 17858 4880 1 14 . 1 1 22 22 ARG HA H 425 4.270 4.270 4.521 -0.251 17858 4881 1 14 . 1 1 22 22 ARG CA C 425 54.832 54.832 54.876 -0.044 17858 4882 1 14 . 1 1 22 22 ARG CB C 425 29.549 29.549 30.121 -0.572 17858 4883 1 14 . 1 1 22 22 ARG H H 425 7.825 7.825 7.800 0.025 17858 4884 1 14 . 1 1 23 23 CYS N N 426 123.387 123.387 121.848 1.539 17858 4885 1 14 . 1 1 23 23 CYS HA H 426 3.867 3.867 4.228 -0.361 17858 4886 1 14 . 1 1 23 23 CYS CA C 426 62.205 62.205 60.039 2.166 17858 4887 1 14 . 1 1 23 23 CYS CB C 426 30.940 30.940 27.959 2.981 17858 4888 1 14 . 1 1 23 23 CYS H H 426 7.273 7.273 8.596 -1.323 17858 4889 1 14 . 1 1 24 24 LYS N N 427 128.443 128.443 125.064 3.379 17858 4890 1 14 . 1 1 24 24 LYS HA H 427 4.299 4.299 4.193 0.106 17858 4891 1 14 . 1 1 24 24 LYS CA C 427 57.047 57.047 57.444 -0.397 17858 4892 1 14 . 1 1 24 24 LYS CB C 427 33.275 33.275 32.330 0.945 17858 4893 1 14 . 1 1 24 24 LYS H H 427 8.525 8.525 8.136 0.389 17858 4894 1 14 . 1 1 25 25 TYR N N 428 123.059 123.059 117.135 5.924 17858 4895 1 14 . 1 1 25 25 TYR HA H 428 4.569 4.569 4.588 -0.019 17858 4896 1 14 . 1 1 25 25 TYR CA C 428 58.470 58.470 55.470 3.000 17858 4897 1 14 . 1 1 25 25 TYR CB C 428 39.830 39.830 39.606 0.224 17858 4898 1 14 . 1 1 25 25 TYR H H 428 8.066 8.066 6.934 1.132 17858 4899 1 14 . 1 1 26 26 ARG N N 429 116.840 116.840 117.016 -0.176 17858 4900 1 14 . 1 1 26 26 ARG HA H 429 4.429 4.429 4.603 -0.174 17858 4901 1 14 . 1 1 26 26 ARG CA C 429 58.979 58.979 55.289 3.690 17858 4902 1 14 . 1 1 26 26 ARG CB C 429 33.073 33.073 32.196 0.877 17858 4903 1 14 . 1 1 26 26 ARG H H 429 8.275 8.275 8.390 -0.115 17858 4904 1 14 . 1 1 27 27 HIS N N 430 117.522 117.522 117.426 0.096 17858 4905 1 14 . 1 1 27 27 HIS HA H 430 4.553 4.553 4.951 -0.398 17858 4906 1 14 . 1 1 27 27 HIS CA C 430 56.912 56.912 55.226 1.686 17858 4907 1 14 . 1 1 27 27 HIS CB C 430 30.715 30.715 34.262 -3.547 17858 4908 1 14 . 1 1 27 27 HIS H H 430 8.154 8.154 8.831 -0.677 17858 4909 1 14 . 1 1 28 28 ALA N N 431 126.087 126.087 124.371 1.716 17858 4910 1 14 . 1 1 28 28 ALA HA H 431 4.106 4.106 4.595 -0.489 17858 4911 1 14 . 1 1 28 28 ALA CA C 431 51.833 51.833 51.660 0.173 17858 4912 1 14 . 1 1 28 28 ALA CB C 431 18.291 18.291 19.819 -1.528 17858 4913 1 14 . 1 1 28 28 ALA H H 431 8.061 8.061 8.687 -0.626 17858 4914 1 14 . 1 1 29 29 ARG N N 432 121.538 121.538 122.554 -1.016 17858 4915 1 14 . 1 1 29 29 ARG HA H 432 4.280 4.280 4.623 -0.343 17858 4916 1 14 . 1 1 29 29 ARG CA C 432 55.492 55.492 56.063 -0.571 17858 4917 1 14 . 1 1 29 29 ARG CB C 432 31.353 31.353 30.067 1.286 17858 4918 1 14 . 1 1 29 29 ARG H H 432 8.630 8.630 8.869 -0.239 17858 4919 1 14 . 1 1 30 30 SER N N 433 112.439 112.439 114.175 -1.736 17858 4920 1 14 . 1 1 30 30 SER HA H 433 4.463 4.463 4.314 0.149 17858 4921 1 14 . 1 1 30 30 SER CA C 433 56.566 56.566 57.112 -0.546 17858 4922 1 14 . 1 1 30 30 SER CB C 433 64.803 64.803 64.040 0.763 17858 4923 1 14 . 1 1 30 30 SER H H 433 7.450 7.450 7.589 -0.139 17858 4924 1 14 . 1 1 31 31 HIS N N 434 121.494 121.494 116.660 4.834 17858 4925 1 14 . 1 1 31 31 HIS HA H 434 4.279 4.279 4.637 -0.358 17858 4926 1 14 . 1 1 31 31 HIS CA C 434 56.955 56.955 54.926 2.029 17858 4927 1 14 . 1 1 31 31 HIS CB C 434 29.834 29.834 28.866 0.968 17858 4928 1 14 . 1 1 31 31 HIS H H 434 8.132 8.132 7.796 0.336 17858 4929 1 14 . 1 1 32 32 ILE N N 435 123.851 123.851 122.535 1.316 17858 4930 1 14 . 1 1 32 32 ILE HA H 435 3.506 3.506 4.021 -0.515 17858 4931 1 14 . 1 1 32 32 ILE CA C 435 61.345 61.345 58.854 2.491 17858 4932 1 14 . 1 1 32 32 ILE CB C 435 37.765 37.765 36.084 1.681 17858 4933 1 14 . 1 1 32 32 ILE H H 435 7.858 7.858 7.850 0.008 17858 4934 1 14 . 1 1 33 33 MET N N 436 125.294 125.294 124.508 0.786 17858 4935 1 14 . 1 1 33 33 MET HA H 436 4.050 4.050 4.684 -0.634 17858 4936 1 14 . 1 1 33 33 MET CA C 436 54.733 54.733 56.083 -1.350 17858 4937 1 14 . 1 1 33 33 MET CB C 436 31.934 31.934 33.729 -1.795 17858 4938 1 14 . 1 1 33 33 MET H H 436 8.317 8.317 8.407 -0.090 17858 4939 1 14 . 1 1 34 34 CYS N N 437 127.958 127.958 119.459 8.499 17858 4940 1 14 . 1 1 34 34 CYS HA H 437 3.389 3.389 5.105 -1.716 17858 4941 1 14 . 1 1 34 34 CYS CA C 437 61.544 61.544 58.299 3.245 17858 4942 1 14 . 1 1 34 34 CYS CB C 437 31.325 31.325 29.663 1.662 17858 4943 1 14 . 1 1 34 34 CYS H H 437 9.255 9.255 8.397 0.858 17858 4944 1 14 . 1 1 35 35 ARG N N 438 131.582 131.582 126.863 4.719 17858 4945 1 14 . 1 1 35 35 ARG HA H 438 3.887 3.887 4.153 -0.266 17858 4946 1 14 . 1 1 35 35 ARG CA C 438 59.466 59.466 58.895 0.571 17858 4947 1 14 . 1 1 35 35 ARG CB C 438 30.251 30.251 30.102 0.149 17858 4948 1 14 . 1 1 35 35 ARG H H 438 8.645 8.645 9.167 -0.522 17858 4949 1 14 . 1 1 36 36 GLU N N 439 117.530 117.530 118.410 -0.880 17858 4950 1 14 . 1 1 36 36 GLU HA H 439 4.284 4.284 4.312 -0.028 17858 4951 1 14 . 1 1 36 36 GLU CA C 439 57.440 57.440 55.813 1.627 17858 4952 1 14 . 1 1 36 36 GLU CB C 439 30.295 30.295 29.469 0.826 17858 4953 1 14 . 1 1 36 36 GLU H H 439 8.302 8.302 8.244 0.058 17858 4954 1 14 . 1 1 37 37 GLY N N 440 107.589 107.589 108.834 -1.245 17858 4955 1 14 . 1 1 37 37 GLY CA C 440 47.353 47.353 45.769 1.584 17858 4956 1 14 . 1 1 37 37 GLY H H 440 7.518 7.518 8.164 -0.646 17858 4957 1 14 . 1 1 38 38 ALA N N 441 126.673 126.673 124.841 1.832 17858 4958 1 14 . 1 1 38 38 ALA HA H 441 4.180 4.180 4.156 0.024 17858 4959 1 14 . 1 1 38 38 ALA CA C 441 53.717 53.717 53.101 0.616 17858 4960 1 14 . 1 1 38 38 ALA CB C 441 19.127 19.127 18.657 0.471 17858 4961 1 14 . 1 1 38 38 ALA H H 441 9.114 9.114 8.533 0.581 17858 4962 1 14 . 1 1 39 39 ASN N N 442 113.951 113.951 115.357 -1.406 17858 4963 1 14 . 1 1 39 39 ASN HA H 442 4.655 4.655 4.787 -0.132 17858 4964 1 14 . 1 1 39 39 ASN CA C 442 52.940 52.940 52.978 -0.038 17858 4965 1 14 . 1 1 39 39 ASN CB C 442 39.264 39.264 38.824 0.440 17858 4966 1 14 . 1 1 39 39 ASN H H 442 8.072 8.072 7.711 0.361 17858 4967 1 14 . 1 1 40 40 CYS N N 443 122.245 122.245 120.255 1.990 17858 4968 1 14 . 1 1 40 40 CYS HA H 443 4.070 4.070 4.215 -0.145 17858 4969 1 14 . 1 1 40 40 CYS CA C 443 60.661 60.661 60.215 0.446 17858 4970 1 14 . 1 1 40 40 CYS CB C 443 31.037 31.037 28.011 3.026 17858 4971 1 14 . 1 1 40 40 CYS H H 443 7.237 7.237 7.261 -0.024 17858 4972 1 14 . 1 1 41 41 THR N N 444 120.684 120.684 115.853 4.831 17858 4973 1 14 . 1 1 41 41 THR HA H 444 4.411 4.411 4.347 0.064 17858 4974 1 14 . 1 1 41 41 THR CA C 444 61.110 61.110 61.418 -0.308 17858 4975 1 14 . 1 1 41 41 THR CB C 444 68.937 68.937 68.552 0.385 17858 4976 1 14 . 1 1 41 41 THR H H 444 9.033 9.033 8.269 0.764 17858 4977 1 14 . 1 1 42 42 ARG N N 445 123.977 123.977 121.543 2.434 17858 4978 1 14 . 1 1 42 42 ARG HA H 445 4.329 4.329 4.503 -0.174 17858 4979 1 14 . 1 1 42 42 ARG CA C 445 56.416 56.416 55.162 1.254 17858 4980 1 14 . 1 1 42 42 ARG CB C 445 30.604 30.604 32.267 -1.663 17858 4981 1 14 . 1 1 42 42 ARG H H 445 7.927 7.927 7.515 0.412 17858 4982 1 14 . 1 1 43 43 ILE N N 446 132.203 132.203 123.426 8.777 17858 4983 1 14 . 1 1 43 43 ILE HA H 446 3.609 3.609 4.251 -0.642 17858 4984 1 14 . 1 1 43 43 ILE CA C 446 63.023 63.023 61.779 1.244 17858 4985 1 14 . 1 1 43 43 ILE CB C 446 38.463 38.463 38.598 -0.135 17858 4986 1 14 . 1 1 43 43 ILE H H 446 9.010 9.010 8.487 0.523 17858 4987 1 14 . 1 1 44 44 ASP N N 447 116.309 116.309 118.891 -2.582 17858 4988 1 14 . 1 1 44 44 ASP HA H 447 4.555 4.555 4.669 -0.114 17858 4989 1 14 . 1 1 44 44 ASP CA C 447 52.727 52.727 53.460 -0.733 17858 4990 1 14 . 1 1 44 44 ASP CB C 447 40.177 40.177 40.082 0.095 17858 4991 1 14 . 1 1 44 44 ASP H H 447 8.191 8.191 8.123 0.068 17858 4992 1 14 . 1 1 45 45 CYS N N 448 121.173 121.173 119.353 1.820 17858 4993 1 14 . 1 1 45 45 CYS HA H 448 3.913 3.913 4.450 -0.537 17858 4994 1 14 . 1 1 45 45 CYS CA C 448 62.082 62.082 59.096 2.986 17858 4995 1 14 . 1 1 45 45 CYS CB C 448 31.510 31.510 27.450 4.060 17858 4996 1 14 . 1 1 45 45 CYS H H 448 7.113 7.113 8.042 -0.929 17858 4997 1 14 . 1 1 46 46 LEU N N 449 128.150 128.150 127.562 0.588 17858 4998 1 14 . 1 1 46 46 LEU HA H 449 4.657 4.657 4.717 -0.060 17858 4999 1 14 . 1 1 46 46 LEU CA C 449 55.144 55.144 54.230 0.914 17858 5000 1 14 . 1 1 46 46 LEU CB C 449 43.004 43.004 42.083 0.921 17858 5001 1 14 . 1 1 46 46 LEU H H 449 8.451 8.451 8.387 0.064 17858 5002 1 14 . 1 1 47 47 PHE N N 450 120.646 120.646 118.862 1.784 17858 5003 1 14 . 1 1 47 47 PHE HA H 450 4.527 4.527 4.837 -0.310 17858 5004 1 14 . 1 1 47 47 PHE CA C 450 58.198 58.198 54.832 3.366 17858 5005 1 14 . 1 1 47 47 PHE CB C 450 39.901 39.901 41.460 -1.559 17858 5006 1 14 . 1 1 47 47 PHE H H 450 8.390 8.390 7.172 1.218 17858 5007 1 14 . 1 1 48 48 GLY N N 451 104.118 104.118 109.022 -4.904 17858 5008 1 14 . 1 1 48 48 GLY CA C 451 47.675 47.675 44.718 2.958 17858 5009 1 14 . 1 1 48 48 GLY H H 451 8.643 8.643 8.235 0.408 17858 5010 1 14 . 1 1 49 49 HIS N N 452 119.710 119.710 124.267 -4.557 17858 5011 1 14 . 1 1 49 49 HIS HA H 452 4.725 4.725 4.817 -0.092 17858 5012 1 14 . 1 1 49 49 HIS CA C 452 54.408 54.408 52.564 1.844 17858 5013 1 14 . 1 1 49 49 HIS CB C 452 29.515 29.515 31.877 -2.362 17858 5014 1 14 . 1 1 49 49 HIS H H 452 6.951 6.951 8.131 -1.180 17858 5015 1 14 . 1 1 50 50 PRO HA H 453 4.291 4.291 4.439 -0.148 17858 5016 1 14 . 1 1 50 50 PRO CA C 453 63.872 63.872 62.992 0.880 17858 5017 1 14 . 1 1 50 50 PRO CB C 453 32.724 32.724 32.679 0.045 17858 5018 1 14 . 1 1 51 51 ILE N N 454 122.942 122.942 117.999 4.943 17858 5019 1 14 . 1 1 51 51 ILE HA H 454 3.787 3.787 4.299 -0.512 17858 5020 1 14 . 1 1 51 51 ILE CA C 454 61.010 61.010 60.139 0.871 17858 5021 1 14 . 1 1 51 51 ILE CB C 454 40.204 40.204 42.062 -1.859 17858 5022 1 14 . 1 1 51 51 ILE H H 454 8.189 8.189 7.947 0.242 17858 5023 1 14 . 1 1 52 52 ASN N N 455 128.496 128.496 125.570 2.926 17858 5024 1 14 . 1 1 52 52 ASN HA H 455 4.641 4.641 4.578 0.063 17858 5025 1 14 . 1 1 52 52 ASN CA C 455 52.832 52.832 54.020 -1.188 17858 5026 1 14 . 1 1 52 52 ASN CB C 455 36.969 36.969 36.688 0.281 17858 5027 1 14 . 1 1 52 52 ASN H H 455 8.791 8.791 8.871 -0.080 17858 5028 1 14 . 1 1 53 53 GLU N N 456 120.059 120.059 122.849 -2.790 17858 5029 1 14 . 1 1 53 53 GLU HA H 456 4.318 4.318 4.468 -0.150 17858 5030 1 14 . 1 1 53 53 GLU CA C 456 55.588 55.588 55.201 0.387 17858 5031 1 14 . 1 1 53 53 GLU CB C 456 33.826 33.826 33.892 -0.066 17858 5032 1 14 . 1 1 53 53 GLU H H 456 8.177 8.177 7.952 0.225 17858 5033 1 14 . 1 1 54 54 ASP N N 457 124.404 124.404 122.651 1.753 17858 5034 1 14 . 1 1 54 54 ASP HA H 457 4.446 4.446 5.121 -0.675 17858 5035 1 14 . 1 1 54 54 ASP CA C 457 55.594 55.594 52.919 2.675 17858 5036 1 14 . 1 1 54 54 ASP CB C 457 41.033 41.033 41.053 -0.020 17858 5037 1 14 . 1 1 54 54 ASP H H 457 8.923 8.923 8.383 0.540 17858 5038 1 14 . 1 1 55 55 CYS N N 458 125.765 125.765 123.131 2.634 17858 5039 1 14 . 1 1 55 55 CYS HA H 458 3.360 3.360 4.277 -0.917 17858 5040 1 14 . 1 1 55 55 CYS CA C 458 61.284 61.284 60.090 1.194 17858 5041 1 14 . 1 1 55 55 CYS CB C 458 31.125 31.125 28.882 2.243 17858 5042 1 14 . 1 1 55 55 CYS H H 458 9.113 9.113 8.138 0.975 17858 5043 1 14 . 1 1 56 56 ARG N N 459 130.790 130.790 123.596 7.194 17858 5044 1 14 . 1 1 56 56 ARG HA H 459 3.875 3.875 4.211 -0.336 17858 5045 1 14 . 1 1 56 56 ARG CA C 459 58.610 58.610 57.742 0.868 17858 5046 1 14 . 1 1 56 56 ARG CB C 459 29.566 29.566 29.719 -0.153 17858 5047 1 14 . 1 1 56 56 ARG H H 459 8.601 8.601 8.734 -0.133 17858 5048 1 14 . 1 1 57 57 PHE N N 460 119.175 119.175 118.584 0.591 17858 5049 1 14 . 1 1 57 57 PHE HA H 460 4.560 4.560 4.446 0.114 17858 5050 1 14 . 1 1 57 57 PHE CA C 460 58.367 58.367 58.934 -0.567 17858 5051 1 14 . 1 1 57 57 PHE CB C 460 39.049 39.049 39.980 -0.931 17858 5052 1 14 . 1 1 57 57 PHE H H 460 8.589 8.589 7.794 0.795 17858 5053 1 14 . 1 1 58 58 GLY N N 461 107.317 107.317 106.268 1.049 17858 5054 1 14 . 1 1 58 58 GLY CA C 461 47.253 47.253 45.311 1.942 17858 5055 1 14 . 1 1 58 58 GLY H H 461 7.386 7.386 8.556 -1.170 17858 5056 1 14 . 1 1 59 59 VAL N N 462 120.829 120.829 118.354 2.475 17858 5057 1 14 . 1 1 59 59 VAL HA H 462 3.674 3.674 4.346 -0.672 17858 5058 1 14 . 1 1 59 59 VAL CA C 462 64.142 64.142 62.157 1.985 17858 5059 1 14 . 1 1 59 59 VAL CB C 462 32.275 32.275 31.490 0.785 17858 5060 1 14 . 1 1 59 59 VAL H H 462 8.881 8.881 8.381 0.500 17858 5061 1 14 . 1 1 60 60 ASN N N 463 114.923 114.923 118.330 -3.407 17858 5062 1 14 . 1 1 60 60 ASN HA H 463 4.667 4.667 4.742 -0.075 17858 5063 1 14 . 1 1 60 60 ASN CA C 463 53.316 53.316 53.633 -0.317 17858 5064 1 14 . 1 1 60 60 ASN CB C 463 39.355 39.355 38.871 0.484 17858 5065 1 14 . 1 1 60 60 ASN H H 463 7.819 7.819 8.337 -0.518 17858 5066 1 14 . 1 1 61 61 CYS N N 464 121.670 121.670 121.253 0.417 17858 5067 1 14 . 1 1 61 61 CYS HA H 464 3.770 3.770 3.772 -0.002 17858 5068 1 14 . 1 1 61 61 CYS CA C 464 61.725 61.725 60.041 1.684 17858 5069 1 14 . 1 1 61 61 CYS CB C 464 30.891 30.891 26.616 4.274 17858 5070 1 14 . 1 1 61 61 CYS H H 464 7.049 7.049 8.182 -1.133 17858 5071 1 14 . 1 1 62 62 LYS N N 465 131.072 131.072 126.614 4.458 17858 5072 1 14 . 1 1 62 62 LYS HA H 465 4.312 4.312 4.348 -0.036 17858 5073 1 14 . 1 1 62 62 LYS CA C 465 55.230 55.230 55.966 -0.736 17858 5074 1 14 . 1 1 62 62 LYS CB C 465 32.794 32.794 32.341 0.453 17858 5075 1 14 . 1 1 62 62 LYS H H 465 8.836 8.836 8.253 0.583 17858 5076 1 14 . 1 1 63 63 ASN N N 466 119.130 119.130 117.505 1.625 17858 5077 1 14 . 1 1 63 63 ASN HA H 466 4.596 4.596 4.526 0.070 17858 5078 1 14 . 1 1 63 63 ASN CA C 466 52.210 52.210 51.977 0.233 17858 5079 1 14 . 1 1 63 63 ASN CB C 466 38.827 38.827 39.973 -1.146 17858 5080 1 14 . 1 1 63 63 ASN H H 466 7.660 7.660 7.564 0.096 17858 5081 1 14 . 1 1 64 64 ILE N N 467 125.111 125.111 118.267 6.844 17858 5082 1 14 . 1 1 64 64 ILE HA H 467 3.539 3.539 4.202 -0.663 17858 5083 1 14 . 1 1 64 64 ILE CA C 467 64.493 64.493 60.883 3.610 17858 5084 1 14 . 1 1 64 64 ILE CB C 467 38.068 38.068 38.527 -0.459 17858 5085 1 14 . 1 1 64 64 ILE H H 467 8.475 8.475 7.709 0.766 17858 5086 1 14 . 1 1 65 65 TYR N N 468 118.920 118.920 117.615 1.305 17858 5087 1 14 . 1 1 65 65 TYR HA H 468 4.538 4.538 4.798 -0.260 17858 5088 1 14 . 1 1 65 65 TYR CA C 468 57.003 57.003 55.034 1.969 17858 5089 1 14 . 1 1 65 65 TYR CB C 468 37.716 37.716 36.774 0.942 17858 5090 1 14 . 1 1 65 65 TYR H H 468 7.462 7.462 7.055 0.407 17858 5091 1 14 . 1 1 66 66 CYS N N 469 122.658 122.658 121.161 1.497 17858 5092 1 14 . 1 1 66 66 CYS HA H 469 4.009 4.009 4.496 -0.487 17858 5093 1 14 . 1 1 66 66 CYS CA C 469 62.039 62.039 58.254 3.785 17858 5094 1 14 . 1 1 66 66 CYS CB C 469 31.455 31.455 27.871 3.584 17858 5095 1 14 . 1 1 66 66 CYS H H 469 7.305 7.305 8.225 -0.920 17858 5096 1 14 . 1 1 67 67 LEU N N 470 130.238 130.238 127.406 2.832 17858 5097 1 14 . 1 1 67 67 LEU HA H 470 4.353 4.353 4.460 -0.107 17858 5098 1 14 . 1 1 67 67 LEU CA C 470 55.947 55.947 54.245 1.702 17858 5099 1 14 . 1 1 67 67 LEU CB C 470 42.125 42.125 41.389 0.736 17858 5100 1 14 . 1 1 67 67 LEU H H 470 9.002 9.002 8.221 0.781 17858 5101 1 14 . 1 1 68 68 PHE N N 471 120.946 120.946 117.876 3.070 17858 5102 1 14 . 1 1 68 68 PHE HA H 471 4.576 4.576 4.523 0.053 17858 5103 1 14 . 1 1 68 68 PHE CA C 471 59.242 59.242 55.291 3.951 17858 5104 1 14 . 1 1 68 68 PHE CB C 471 39.865 39.865 40.597 -0.732 17858 5105 1 14 . 1 1 68 68 PHE H H 471 8.519 8.519 7.022 1.497 17858 5106 1 14 . 1 1 69 69 ARG N N 472 116.975 116.975 120.104 -3.129 17858 5107 1 14 . 1 1 69 69 ARG HA H 472 4.331 4.331 4.358 -0.027 17858 5108 1 14 . 1 1 69 69 ARG CA C 472 56.933 56.933 54.545 2.388 17858 5109 1 14 . 1 1 69 69 ARG CB C 472 31.822 31.822 31.413 0.409 17858 5110 1 14 . 1 1 69 69 ARG H H 472 8.417 8.417 8.844 -0.427 17858 5111 1 14 . 1 1 70 70 HIS N N 473 118.809 118.809 122.458 -3.649 17858 5112 1 14 . 1 1 70 70 HIS HA H 473 4.991 4.991 4.871 0.120 17858 5113 1 14 . 1 1 70 70 HIS CA C 473 55.311 55.311 53.707 1.604 17858 5114 1 14 . 1 1 70 70 HIS CB C 473 30.613 30.613 30.855 -0.242 17858 5115 1 14 . 1 1 70 70 HIS H H 473 8.499 8.499 8.445 0.054 17858 5116 1 14 . 1 1 71 71 PRO HA H 474 4.742 4.742 4.598 0.144 17858 5117 1 14 . 1 1 71 71 PRO CA C 474 61.250 61.250 62.030 -0.780 17858 5118 1 14 . 1 1 71 71 PRO CB C 474 30.743 30.743 31.229 -0.485 17858 5119 1 14 . 1 1 72 72 PRO HA H 475 4.279 4.279 4.407 -0.128 17858 5120 1 14 . 1 1 72 72 PRO CA C 475 63.941 63.941 63.337 0.604 17858 5121 1 14 . 1 1 72 72 PRO CB C 475 32.122 32.122 31.564 0.558 17858 5122 1 14 . 1 1 73 73 GLY N N 476 106.525 106.525 111.581 -5.056 17858 5123 1 14 . 1 1 73 73 GLY CA C 476 45.142 45.142 44.860 0.282 17858 5124 1 14 . 1 1 73 73 GLY H H 476 8.359 8.359 8.814 -0.455 17858 5125 1 14 . 1 1 74 74 ARG N N 477 121.516 121.516 118.969 2.547 17858 5126 1 14 . 1 1 74 74 ARG HA H 477 4.223 4.223 4.552 -0.329 17858 5127 1 14 . 1 1 74 74 ARG CA C 477 57.021 57.021 56.057 0.964 17858 5128 1 14 . 1 1 74 74 ARG CB C 477 31.388 31.388 31.607 -0.219 17858 5129 1 14 . 1 1 74 74 ARG H H 477 7.255 7.255 7.789 -0.534 17858 5130 1 14 . 1 1 75 75 VAL N N 478 128.411 128.411 117.696 10.715 17858 5131 1 14 . 1 1 75 75 VAL HA H 478 4.054 4.054 4.241 -0.187 17858 5132 1 14 . 1 1 75 75 VAL CA C 478 61.925 61.925 62.054 -0.129 17858 5133 1 14 . 1 1 75 75 VAL CB C 478 33.788 33.788 34.902 -1.114 17858 5134 1 14 . 1 1 75 75 VAL H H 478 8.569 8.569 8.270 0.299 17858 5135 1 14 . 1 1 76 76 LEU N N 479 127.195 127.195 122.195 5.000 17858 5136 1 14 . 1 1 76 76 LEU HA H 479 4.462 4.462 4.758 -0.296 17858 5137 1 14 . 1 1 76 76 LEU CA C 479 52.474 52.474 52.484 -0.010 17858 5138 1 14 . 1 1 76 76 LEU CB C 479 42.068 42.068 44.253 -2.185 17858 5139 1 14 . 1 1 76 76 LEU H H 479 8.338 8.338 8.053 0.285 17858 5140 1 14 . 1 1 77 77 PRO HA H 480 4.251 4.251 4.374 -0.123 17858 5141 1 14 . 1 1 77 77 PRO CA C 480 63.072 63.072 63.034 0.038 17858 5142 1 14 . 1 1 77 77 PRO CB C 480 32.313 32.313 32.118 0.195 17858 5143 1 14 . 1 1 78 78 GLU N N 481 120.828 120.828 119.081 1.747 17858 5144 1 14 . 1 1 78 78 GLU HA H 481 4.089 4.089 4.021 0.068 17858 5145 1 14 . 1 1 78 78 GLU CA C 481 56.521 56.521 57.362 -0.841 17858 5146 1 14 . 1 1 78 78 GLU CB C 481 31.032 31.032 29.498 1.534 17858 5147 1 14 . 1 1 78 78 GLU H H 481 8.328 8.328 8.411 -0.083 17858 5148 1 14 . 1 1 79 79 LYS N N 482 123.778 123.778 121.983 1.795 17858 5149 1 14 . 1 1 79 79 LYS HA H 482 4.166 4.166 4.447 -0.281 17858 5150 1 14 . 1 1 79 79 LYS CA C 482 56.581 56.581 55.892 0.689 17858 5151 1 14 . 1 1 79 79 LYS CB C 482 33.279 33.279 33.856 -0.577 17858 5152 1 14 . 1 1 79 79 LYS H H 482 8.332 8.332 8.280 0.052 17858 5153 1 15 . 1 1 2 2 PRO HA H 405 4.356 4.356 4.493 -0.137 17858 5154 1 15 . 1 1 2 2 PRO CA C 405 63.329 63.329 62.918 0.411 17858 5155 1 15 . 1 1 2 2 PRO CB C 405 32.603 32.603 32.252 0.351 17858 5156 1 15 . 1 1 3 3 LEU N N 406 122.497 122.497 123.034 -0.537 17858 5157 1 15 . 1 1 3 3 LEU HA H 406 4.231 4.231 4.613 -0.382 17858 5158 1 15 . 1 1 3 3 LEU CA C 406 55.838 55.838 54.030 1.808 17858 5159 1 15 . 1 1 3 3 LEU CB C 406 42.529 42.529 44.585 -2.056 17858 5160 1 15 . 1 1 3 3 LEU H H 406 8.571 8.571 8.134 0.437 17858 5161 1 15 . 1 1 4 4 GLY N N 407 110.132 110.132 108.460 1.672 17858 5162 1 15 . 1 1 4 4 GLY CA C 407 45.746 45.746 45.118 0.628 17858 5163 1 15 . 1 1 4 4 GLY H H 407 8.504 8.504 8.496 0.008 17858 5164 1 15 . 1 1 5 5 SER N N 408 114.820 114.820 115.689 -0.869 17858 5165 1 15 . 1 1 5 5 SER HA H 408 4.321 4.321 4.632 -0.311 17858 5166 1 15 . 1 1 5 5 SER CA C 408 58.629 58.629 58.177 0.452 17858 5167 1 15 . 1 1 5 5 SER CB C 408 64.171 64.171 64.580 -0.409 17858 5168 1 15 . 1 1 5 5 SER H H 408 8.087 8.087 8.046 0.041 17858 5169 1 15 . 1 1 6 6 GLU N N 409 122.539 122.539 120.081 2.458 17858 5170 1 15 . 1 1 6 6 GLU HA H 409 4.137 4.137 4.482 -0.345 17858 5171 1 15 . 1 1 6 6 GLU CA C 409 57.076 57.076 56.731 0.345 17858 5172 1 15 . 1 1 6 6 GLU CB C 409 30.420 30.420 29.953 0.467 17858 5173 1 15 . 1 1 6 6 GLU H H 409 8.483 8.483 8.423 0.060 17858 5174 1 15 . 1 1 7 7 LYS N N 410 120.141 120.141 121.918 -1.777 17858 5175 1 15 . 1 1 7 7 LYS HA H 410 4.332 4.332 4.500 -0.168 17858 5176 1 15 . 1 1 7 7 LYS CA C 410 56.279 56.279 55.707 0.572 17858 5177 1 15 . 1 1 7 7 LYS CB C 410 33.875 33.875 33.089 0.786 17858 5178 1 15 . 1 1 7 7 LYS H H 410 7.997 7.997 8.482 -0.485 17858 5179 1 15 . 1 1 8 8 SER N N 411 114.672 114.672 115.293 -0.621 17858 5180 1 15 . 1 1 8 8 SER HA H 411 4.542 4.542 4.766 -0.224 17858 5181 1 15 . 1 1 8 8 SER CA C 411 56.092 56.092 57.309 -1.217 17858 5182 1 15 . 1 1 8 8 SER CB C 411 65.009 65.009 64.894 0.115 17858 5183 1 15 . 1 1 8 8 SER H H 411 8.214 8.214 7.890 0.324 17858 5184 1 15 . 1 1 9 9 LEU N N 412 122.535 122.535 121.703 0.832 17858 5185 1 15 . 1 1 9 9 LEU HA H 412 3.938 3.938 4.442 -0.504 17858 5186 1 15 . 1 1 9 9 LEU CA C 412 55.495 55.495 54.015 1.480 17858 5187 1 15 . 1 1 9 9 LEU CB C 412 42.864 42.864 41.733 1.131 17858 5188 1 15 . 1 1 9 9 LEU H H 412 8.487 8.487 8.658 -0.171 17858 5189 1 15 . 1 1 10 10 GLU N N 413 121.582 121.582 119.432 2.150 17858 5190 1 15 . 1 1 10 10 GLU HA H 413 3.804 3.804 4.258 -0.454 17858 5191 1 15 . 1 1 10 10 GLU CA C 413 57.749 57.749 55.578 2.171 17858 5192 1 15 . 1 1 10 10 GLU CB C 413 29.807 29.807 31.295 -1.488 17858 5193 1 15 . 1 1 10 10 GLU H H 413 8.483 8.483 8.019 0.464 17858 5194 1 15 . 1 1 11 11 GLN N N 414 124.052 124.052 118.816 5.236 17858 5195 1 15 . 1 1 11 11 GLN HA H 414 3.768 3.768 4.759 -0.991 17858 5196 1 15 . 1 1 11 11 GLN CA C 414 55.415 55.415 54.530 0.885 17858 5197 1 15 . 1 1 11 11 GLN CB C 414 29.918 29.918 31.849 -1.931 17858 5198 1 15 . 1 1 11 11 GLN H H 414 8.475 8.475 8.248 0.227 17858 5199 1 15 . 1 1 12 12 CYS N N 415 129.067 129.067 123.395 5.672 17858 5200 1 15 . 1 1 12 12 CYS HA H 415 3.668 3.668 4.700 -1.032 17858 5201 1 15 . 1 1 12 12 CYS CA C 415 61.173 61.173 60.218 0.955 17858 5202 1 15 . 1 1 12 12 CYS CB C 415 30.342 30.342 28.459 1.883 17858 5203 1 15 . 1 1 12 12 CYS H H 415 9.290 9.290 8.579 0.711 17858 5204 1 15 . 1 1 13 13 LYS N N 416 129.282 129.282 123.919 5.363 17858 5205 1 15 . 1 1 13 13 LYS HA H 416 3.814 3.814 4.958 -1.144 17858 5206 1 15 . 1 1 13 13 LYS CA C 416 58.772 58.772 57.291 1.481 17858 5207 1 15 . 1 1 13 13 LYS CB C 416 32.186 32.186 32.329 -0.143 17858 5208 1 15 . 1 1 13 13 LYS H H 416 8.623 8.623 9.111 -0.488 17858 5209 1 15 . 1 1 14 14 PHE N N 417 119.338 119.338 119.853 -0.515 17858 5210 1 15 . 1 1 14 14 PHE HA H 417 4.613 4.613 4.618 -0.005 17858 5211 1 15 . 1 1 14 14 PHE CA C 417 58.971 58.971 58.333 0.638 17858 5212 1 15 . 1 1 14 14 PHE CB C 417 39.352 39.352 40.303 -0.951 17858 5213 1 15 . 1 1 14 14 PHE H H 417 8.603 8.603 8.064 0.539 17858 5214 1 15 . 1 1 15 15 GLY N N 418 107.206 107.206 107.799 -0.593 17858 5215 1 15 . 1 1 15 15 GLY CA C 418 47.937 47.937 46.556 1.381 17858 5216 1 15 . 1 1 15 15 GLY H H 418 7.472 7.472 8.596 -1.124 17858 5217 1 15 . 1 1 16 16 THR N N 419 117.234 117.234 116.901 0.333 17858 5218 1 15 . 1 1 16 16 THR HA H 419 4.002 4.002 4.312 -0.310 17858 5219 1 15 . 1 1 16 16 THR CA C 419 63.842 63.842 62.710 1.132 17858 5220 1 15 . 1 1 16 16 THR CB C 419 68.778 68.778 68.890 -0.112 17858 5221 1 15 . 1 1 16 16 THR H H 419 8.740 8.740 8.652 0.088 17858 5222 1 15 . 1 1 17 17 HIS N N 420 118.028 118.028 120.836 -2.808 17858 5223 1 15 . 1 1 17 17 HIS HA H 420 4.581 4.581 4.894 -0.313 17858 5224 1 15 . 1 1 17 17 HIS CA C 420 55.612 55.612 55.420 0.192 17858 5225 1 15 . 1 1 17 17 HIS CB C 420 29.751 29.751 30.421 -0.670 17858 5226 1 15 . 1 1 17 17 HIS H H 420 8.059 8.059 7.680 0.379 17858 5227 1 15 . 1 1 18 18 CYS N N 421 122.824 122.824 120.838 1.986 17858 5228 1 15 . 1 1 18 18 CYS HA H 421 3.849 3.849 4.282 -0.433 17858 5229 1 15 . 1 1 18 18 CYS CA C 421 61.733 61.733 59.556 2.177 17858 5230 1 15 . 1 1 18 18 CYS CB C 421 30.570 30.570 26.711 3.859 17858 5231 1 15 . 1 1 18 18 CYS H H 421 7.288 7.288 8.052 -0.764 17858 5232 1 15 . 1 1 19 19 THR N N 422 119.018 119.018 120.536 -1.518 17858 5233 1 15 . 1 1 19 19 THR HA H 422 4.348 4.348 4.364 -0.016 17858 5234 1 15 . 1 1 19 19 THR CA C 422 61.292 61.292 60.399 0.893 17858 5235 1 15 . 1 1 19 19 THR CB C 422 69.612 69.612 68.220 1.392 17858 5236 1 15 . 1 1 19 19 THR H H 422 8.435 8.435 7.995 0.440 17858 5237 1 15 . 1 1 20 20 ASN N N 423 121.923 121.923 119.667 2.256 17858 5238 1 15 . 1 1 20 20 ASN HA H 423 4.690 4.690 4.794 -0.104 17858 5239 1 15 . 1 1 20 20 ASN CA C 423 52.203 52.203 51.952 0.251 17858 5240 1 15 . 1 1 20 20 ASN CB C 423 38.747 38.747 40.780 -2.033 17858 5241 1 15 . 1 1 20 20 ASN H H 423 7.924 7.924 7.695 0.229 17858 5242 1 15 . 1 1 21 21 LYS N N 424 127.775 127.775 122.457 5.318 17858 5243 1 15 . 1 1 21 21 LYS HA H 424 3.922 3.922 3.990 -0.068 17858 5244 1 15 . 1 1 21 21 LYS CA C 424 58.647 58.647 58.415 0.232 17858 5245 1 15 . 1 1 21 21 LYS CB C 424 32.289 32.289 32.850 -0.561 17858 5246 1 15 . 1 1 21 21 LYS H H 424 9.094 9.094 8.643 0.451 17858 5247 1 15 . 1 1 22 22 ARG N N 425 116.206 116.206 116.770 -0.564 17858 5248 1 15 . 1 1 22 22 ARG HA H 425 4.270 4.270 4.534 -0.264 17858 5249 1 15 . 1 1 22 22 ARG CA C 425 54.832 54.832 55.219 -0.388 17858 5250 1 15 . 1 1 22 22 ARG CB C 425 29.549 29.549 29.451 0.098 17858 5251 1 15 . 1 1 22 22 ARG H H 425 7.825 7.825 7.756 0.069 17858 5252 1 15 . 1 1 23 23 CYS N N 426 123.387 123.387 121.820 1.567 17858 5253 1 15 . 1 1 23 23 CYS HA H 426 3.867 3.867 4.215 -0.348 17858 5254 1 15 . 1 1 23 23 CYS CA C 426 62.205 62.205 59.961 2.244 17858 5255 1 15 . 1 1 23 23 CYS CB C 426 30.940 30.940 28.760 2.180 17858 5256 1 15 . 1 1 23 23 CYS H H 426 7.273 7.273 8.279 -1.006 17858 5257 1 15 . 1 1 24 24 LYS N N 427 128.443 128.443 124.862 3.581 17858 5258 1 15 . 1 1 24 24 LYS HA H 427 4.299 4.299 4.182 0.117 17858 5259 1 15 . 1 1 24 24 LYS CA C 427 57.047 57.047 57.497 -0.450 17858 5260 1 15 . 1 1 24 24 LYS CB C 427 33.275 33.275 32.365 0.910 17858 5261 1 15 . 1 1 24 24 LYS H H 427 8.525 8.525 8.073 0.452 17858 5262 1 15 . 1 1 25 25 TYR N N 428 123.059 123.059 116.994 6.065 17858 5263 1 15 . 1 1 25 25 TYR HA H 428 4.569 4.569 4.522 0.047 17858 5264 1 15 . 1 1 25 25 TYR CA C 428 58.470 58.470 55.521 2.949 17858 5265 1 15 . 1 1 25 25 TYR CB C 428 39.830 39.830 39.405 0.425 17858 5266 1 15 . 1 1 25 25 TYR H H 428 8.066 8.066 6.875 1.191 17858 5267 1 15 . 1 1 26 26 ARG N N 429 116.840 116.840 116.956 -0.116 17858 5268 1 15 . 1 1 26 26 ARG HA H 429 4.429 4.429 4.603 -0.174 17858 5269 1 15 . 1 1 26 26 ARG CA C 429 58.979 58.979 53.907 5.072 17858 5270 1 15 . 1 1 26 26 ARG CB C 429 33.073 33.073 32.086 0.987 17858 5271 1 15 . 1 1 26 26 ARG H H 429 8.275 8.275 8.621 -0.346 17858 5272 1 15 . 1 1 27 27 HIS N N 430 117.522 117.522 117.373 0.149 17858 5273 1 15 . 1 1 27 27 HIS HA H 430 4.553 4.553 4.893 -0.340 17858 5274 1 15 . 1 1 27 27 HIS CA C 430 56.912 56.912 55.294 1.618 17858 5275 1 15 . 1 1 27 27 HIS CB C 430 30.715 30.715 34.116 -3.401 17858 5276 1 15 . 1 1 27 27 HIS H H 430 8.154 8.154 8.771 -0.617 17858 5277 1 15 . 1 1 28 28 ALA N N 431 126.087 126.087 124.196 1.891 17858 5278 1 15 . 1 1 28 28 ALA HA H 431 4.106 4.106 4.585 -0.479 17858 5279 1 15 . 1 1 28 28 ALA CA C 431 51.833 51.833 51.692 0.141 17858 5280 1 15 . 1 1 28 28 ALA CB C 431 18.291 18.291 19.783 -1.492 17858 5281 1 15 . 1 1 28 28 ALA H H 431 8.061 8.061 8.765 -0.704 17858 5282 1 15 . 1 1 29 29 ARG N N 432 121.538 121.538 122.627 -1.089 17858 5283 1 15 . 1 1 29 29 ARG HA H 432 4.280 4.280 4.638 -0.358 17858 5284 1 15 . 1 1 29 29 ARG CA C 432 55.492 55.492 56.051 -0.559 17858 5285 1 15 . 1 1 29 29 ARG CB C 432 31.353 31.353 30.575 0.778 17858 5286 1 15 . 1 1 29 29 ARG H H 432 8.630 8.630 8.957 -0.327 17858 5287 1 15 . 1 1 30 30 SER N N 433 112.439 112.439 114.775 -2.336 17858 5288 1 15 . 1 1 30 30 SER HA H 433 4.463 4.463 4.471 -0.008 17858 5289 1 15 . 1 1 30 30 SER CA C 433 56.566 56.566 57.662 -1.096 17858 5290 1 15 . 1 1 30 30 SER CB C 433 64.803 64.803 64.846 -0.043 17858 5291 1 15 . 1 1 30 30 SER H H 433 7.450 7.450 7.815 -0.365 17858 5292 1 15 . 1 1 31 31 HIS N N 434 121.494 121.494 117.785 3.709 17858 5293 1 15 . 1 1 31 31 HIS HA H 434 4.279 4.279 4.148 0.131 17858 5294 1 15 . 1 1 31 31 HIS CA C 434 56.955 56.955 55.043 1.912 17858 5295 1 15 . 1 1 31 31 HIS CB C 434 29.834 29.834 28.700 1.134 17858 5296 1 15 . 1 1 31 31 HIS H H 434 8.132 8.132 8.324 -0.192 17858 5297 1 15 . 1 1 32 32 ILE N N 435 123.851 123.851 123.515 0.336 17858 5298 1 15 . 1 1 32 32 ILE HA H 435 3.506 3.506 3.858 -0.352 17858 5299 1 15 . 1 1 32 32 ILE CA C 435 61.345 61.345 59.193 2.152 17858 5300 1 15 . 1 1 32 32 ILE CB C 435 37.765 37.765 36.380 1.385 17858 5301 1 15 . 1 1 32 32 ILE H H 435 7.858 7.858 7.933 -0.075 17858 5302 1 15 . 1 1 33 33 MET N N 436 125.294 125.294 124.392 0.902 17858 5303 1 15 . 1 1 33 33 MET HA H 436 4.050 4.050 4.631 -0.581 17858 5304 1 15 . 1 1 33 33 MET CA C 436 54.733 54.733 56.151 -1.418 17858 5305 1 15 . 1 1 33 33 MET CB C 436 31.934 31.934 33.669 -1.735 17858 5306 1 15 . 1 1 33 33 MET H H 436 8.317 8.317 8.344 -0.027 17858 5307 1 15 . 1 1 34 34 CYS N N 437 127.958 127.958 119.521 8.437 17858 5308 1 15 . 1 1 34 34 CYS HA H 437 3.389 3.389 5.085 -1.696 17858 5309 1 15 . 1 1 34 34 CYS CA C 437 61.544 61.544 58.417 3.127 17858 5310 1 15 . 1 1 34 34 CYS CB C 437 31.325 31.325 29.319 2.006 17858 5311 1 15 . 1 1 34 34 CYS H H 437 9.255 9.255 8.385 0.870 17858 5312 1 15 . 1 1 35 35 ARG N N 438 131.582 131.582 126.667 4.915 17858 5313 1 15 . 1 1 35 35 ARG HA H 438 3.887 3.887 4.147 -0.260 17858 5314 1 15 . 1 1 35 35 ARG CA C 438 59.466 59.466 58.884 0.582 17858 5315 1 15 . 1 1 35 35 ARG CB C 438 30.251 30.251 30.094 0.157 17858 5316 1 15 . 1 1 35 35 ARG H H 438 8.645 8.645 9.141 -0.496 17858 5317 1 15 . 1 1 36 36 GLU N N 439 117.530 117.530 118.437 -0.907 17858 5318 1 15 . 1 1 36 36 GLU HA H 439 4.284 4.284 4.302 -0.018 17858 5319 1 15 . 1 1 36 36 GLU CA C 439 57.440 57.440 55.833 1.607 17858 5320 1 15 . 1 1 36 36 GLU CB C 439 30.295 30.295 29.537 0.758 17858 5321 1 15 . 1 1 36 36 GLU H H 439 8.302 8.302 8.257 0.045 17858 5322 1 15 . 1 1 37 37 GLY N N 440 107.589 107.589 108.731 -1.142 17858 5323 1 15 . 1 1 37 37 GLY CA C 440 47.353 47.353 45.780 1.573 17858 5324 1 15 . 1 1 37 37 GLY H H 440 7.518 7.518 8.086 -0.568 17858 5325 1 15 . 1 1 38 38 ALA N N 441 126.673 126.673 125.672 1.001 17858 5326 1 15 . 1 1 38 38 ALA HA H 441 4.180 4.180 4.175 0.005 17858 5327 1 15 . 1 1 38 38 ALA CA C 441 53.717 53.717 53.116 0.601 17858 5328 1 15 . 1 1 38 38 ALA CB C 441 19.127 19.127 18.566 0.561 17858 5329 1 15 . 1 1 38 38 ALA H H 441 9.114 9.114 8.467 0.647 17858 5330 1 15 . 1 1 39 39 ASN N N 442 113.951 113.951 114.892 -0.941 17858 5331 1 15 . 1 1 39 39 ASN HA H 442 4.655 4.655 4.750 -0.095 17858 5332 1 15 . 1 1 39 39 ASN CA C 442 52.940 52.940 53.650 -0.710 17858 5333 1 15 . 1 1 39 39 ASN CB C 442 39.264 39.264 39.503 -0.239 17858 5334 1 15 . 1 1 39 39 ASN H H 442 8.072 8.072 7.689 0.383 17858 5335 1 15 . 1 1 40 40 CYS N N 443 122.245 122.245 120.395 1.850 17858 5336 1 15 . 1 1 40 40 CYS HA H 443 4.070 4.070 4.188 -0.118 17858 5337 1 15 . 1 1 40 40 CYS CA C 443 60.661 60.661 59.951 0.710 17858 5338 1 15 . 1 1 40 40 CYS CB C 443 31.037 31.037 27.808 3.229 17858 5339 1 15 . 1 1 40 40 CYS H H 443 7.237 7.237 7.246 -0.009 17858 5340 1 15 . 1 1 41 41 THR N N 444 120.684 120.684 117.099 3.585 17858 5341 1 15 . 1 1 41 41 THR HA H 444 4.411 4.411 4.371 0.040 17858 5342 1 15 . 1 1 41 41 THR CA C 444 61.110 61.110 61.190 -0.080 17858 5343 1 15 . 1 1 41 41 THR CB C 444 68.937 68.937 68.683 0.254 17858 5344 1 15 . 1 1 41 41 THR H H 444 9.033 9.033 8.285 0.748 17858 5345 1 15 . 1 1 42 42 ARG N N 445 123.977 123.977 121.065 2.912 17858 5346 1 15 . 1 1 42 42 ARG HA H 445 4.329 4.329 4.443 -0.114 17858 5347 1 15 . 1 1 42 42 ARG CA C 445 56.416 56.416 55.560 0.856 17858 5348 1 15 . 1 1 42 42 ARG CB C 445 30.604 30.604 32.347 -1.743 17858 5349 1 15 . 1 1 42 42 ARG H H 445 7.927 7.927 7.557 0.370 17858 5350 1 15 . 1 1 43 43 ILE N N 446 132.203 132.203 122.101 10.102 17858 5351 1 15 . 1 1 43 43 ILE HA H 446 3.609 3.609 4.265 -0.656 17858 5352 1 15 . 1 1 43 43 ILE CA C 446 63.023 63.023 61.362 1.661 17858 5353 1 15 . 1 1 43 43 ILE CB C 446 38.463 38.463 38.598 -0.135 17858 5354 1 15 . 1 1 43 43 ILE H H 446 9.010 9.010 8.405 0.605 17858 5355 1 15 . 1 1 44 44 ASP N N 447 116.309 116.309 118.984 -2.675 17858 5356 1 15 . 1 1 44 44 ASP HA H 447 4.555 4.555 4.656 -0.101 17858 5357 1 15 . 1 1 44 44 ASP CA C 447 52.727 52.727 53.498 -0.771 17858 5358 1 15 . 1 1 44 44 ASP CB C 447 40.177 40.177 40.161 0.016 17858 5359 1 15 . 1 1 44 44 ASP H H 447 8.191 8.191 8.099 0.092 17858 5360 1 15 . 1 1 45 45 CYS N N 448 121.173 121.173 119.555 1.618 17858 5361 1 15 . 1 1 45 45 CYS HA H 448 3.913 3.913 4.623 -0.710 17858 5362 1 15 . 1 1 45 45 CYS CA C 448 62.082 62.082 58.256 3.826 17858 5363 1 15 . 1 1 45 45 CYS CB C 448 31.510 31.510 27.222 4.288 17858 5364 1 15 . 1 1 45 45 CYS H H 448 7.113 7.113 8.021 -0.908 17858 5365 1 15 . 1 1 46 46 LEU N N 449 128.150 128.150 131.379 -3.229 17858 5366 1 15 . 1 1 46 46 LEU HA H 449 4.657 4.657 4.771 -0.115 17858 5367 1 15 . 1 1 46 46 LEU CA C 449 55.144 55.144 54.034 1.110 17858 5368 1 15 . 1 1 46 46 LEU CB C 449 43.004 43.004 41.467 1.537 17858 5369 1 15 . 1 1 46 46 LEU H H 449 8.451 8.451 8.786 -0.335 17858 5370 1 15 . 1 1 47 47 PHE N N 450 120.646 120.646 119.932 0.714 17858 5371 1 15 . 1 1 47 47 PHE HA H 450 4.527 4.527 4.833 -0.306 17858 5372 1 15 . 1 1 47 47 PHE CA C 450 58.198 58.198 54.822 3.376 17858 5373 1 15 . 1 1 47 47 PHE CB C 450 39.901 39.901 40.717 -0.816 17858 5374 1 15 . 1 1 47 47 PHE H H 450 8.390 8.390 7.237 1.153 17858 5375 1 15 . 1 1 48 48 GLY N N 451 104.118 104.118 109.085 -4.967 17858 5376 1 15 . 1 1 48 48 GLY CA C 451 47.675 47.675 44.995 2.680 17858 5377 1 15 . 1 1 48 48 GLY H H 451 8.643 8.643 8.223 0.420 17858 5378 1 15 . 1 1 49 49 HIS N N 452 119.710 119.710 125.637 -5.927 17858 5379 1 15 . 1 1 49 49 HIS HA H 452 4.725 4.725 4.753 -0.028 17858 5380 1 15 . 1 1 49 49 HIS CA C 452 54.408 54.408 52.687 1.721 17858 5381 1 15 . 1 1 49 49 HIS CB C 452 29.515 29.515 31.418 -1.903 17858 5382 1 15 . 1 1 49 49 HIS H H 452 6.951 6.951 7.962 -1.011 17858 5383 1 15 . 1 1 50 50 PRO HA H 453 4.291 4.291 4.366 -0.075 17858 5384 1 15 . 1 1 50 50 PRO CA C 453 63.872 63.872 62.954 0.918 17858 5385 1 15 . 1 1 50 50 PRO CB C 453 32.724 32.724 32.701 0.023 17858 5386 1 15 . 1 1 51 51 ILE N N 454 122.942 122.942 117.603 5.339 17858 5387 1 15 . 1 1 51 51 ILE HA H 454 3.787 3.787 4.208 -0.421 17858 5388 1 15 . 1 1 51 51 ILE CA C 454 61.010 61.010 60.093 0.917 17858 5389 1 15 . 1 1 51 51 ILE CB C 454 40.204 40.204 42.874 -2.670 17858 5390 1 15 . 1 1 51 51 ILE H H 454 8.189 8.189 7.979 0.210 17858 5391 1 15 . 1 1 52 52 ASN N N 455 128.496 128.496 123.998 4.498 17858 5392 1 15 . 1 1 52 52 ASN HA H 455 4.641 4.641 4.712 -0.071 17858 5393 1 15 . 1 1 52 52 ASN CA C 455 52.832 52.832 53.895 -1.063 17858 5394 1 15 . 1 1 52 52 ASN CB C 455 36.969 36.969 38.200 -1.231 17858 5395 1 15 . 1 1 52 52 ASN H H 455 8.791 8.791 8.604 0.187 17858 5396 1 15 . 1 1 53 53 GLU N N 456 120.059 120.059 122.510 -2.451 17858 5397 1 15 . 1 1 53 53 GLU HA H 456 4.318 4.318 4.525 -0.207 17858 5398 1 15 . 1 1 53 53 GLU CA C 456 55.588 55.588 55.106 0.482 17858 5399 1 15 . 1 1 53 53 GLU CB C 456 33.826 33.826 34.083 -0.257 17858 5400 1 15 . 1 1 53 53 GLU H H 456 8.177 8.177 7.996 0.181 17858 5401 1 15 . 1 1 54 54 ASP N N 457 124.404 124.404 122.412 1.992 17858 5402 1 15 . 1 1 54 54 ASP HA H 457 4.446 4.446 5.148 -0.702 17858 5403 1 15 . 1 1 54 54 ASP CA C 457 55.594 55.594 53.297 2.297 17858 5404 1 15 . 1 1 54 54 ASP CB C 457 41.033 41.033 41.308 -0.275 17858 5405 1 15 . 1 1 54 54 ASP H H 457 8.923 8.923 8.477 0.446 17858 5406 1 15 . 1 1 55 55 CYS N N 458 125.765 125.765 124.871 0.894 17858 5407 1 15 . 1 1 55 55 CYS HA H 458 3.360 3.360 4.280 -0.920 17858 5408 1 15 . 1 1 55 55 CYS CA C 458 61.284 61.284 59.800 1.484 17858 5409 1 15 . 1 1 55 55 CYS CB C 458 31.125 31.125 28.928 2.197 17858 5410 1 15 . 1 1 55 55 CYS H H 458 9.113 9.113 8.237 0.876 17858 5411 1 15 . 1 1 56 56 ARG N N 459 130.790 130.790 123.371 7.419 17858 5412 1 15 . 1 1 56 56 ARG HA H 459 3.875 3.875 4.218 -0.343 17858 5413 1 15 . 1 1 56 56 ARG CA C 459 58.610 58.610 57.874 0.736 17858 5414 1 15 . 1 1 56 56 ARG CB C 459 29.566 29.566 29.827 -0.261 17858 5415 1 15 . 1 1 56 56 ARG H H 459 8.601 8.601 8.680 -0.079 17858 5416 1 15 . 1 1 57 57 PHE N N 460 119.175 119.175 118.945 0.230 17858 5417 1 15 . 1 1 57 57 PHE HA H 460 4.560 4.560 4.395 0.165 17858 5418 1 15 . 1 1 57 57 PHE CA C 460 58.367 58.367 59.275 -0.908 17858 5419 1 15 . 1 1 57 57 PHE CB C 460 39.049 39.049 40.249 -1.200 17858 5420 1 15 . 1 1 57 57 PHE H H 460 8.589 8.589 7.789 0.800 17858 5421 1 15 . 1 1 58 58 GLY N N 461 107.317 107.317 106.425 0.892 17858 5422 1 15 . 1 1 58 58 GLY CA C 461 47.253 47.253 45.260 1.993 17858 5423 1 15 . 1 1 58 58 GLY H H 461 7.386 7.386 8.542 -1.156 17858 5424 1 15 . 1 1 59 59 VAL N N 462 120.829 120.829 118.438 2.391 17858 5425 1 15 . 1 1 59 59 VAL HA H 462 3.674 3.674 4.292 -0.618 17858 5426 1 15 . 1 1 59 59 VAL CA C 462 64.142 64.142 62.384 1.758 17858 5427 1 15 . 1 1 59 59 VAL CB C 462 32.275 32.275 31.969 0.306 17858 5428 1 15 . 1 1 59 59 VAL H H 462 8.881 8.881 8.317 0.564 17858 5429 1 15 . 1 1 60 60 ASN N N 463 114.923 114.923 116.995 -2.072 17858 5430 1 15 . 1 1 60 60 ASN HA H 463 4.667 4.667 4.716 -0.049 17858 5431 1 15 . 1 1 60 60 ASN CA C 463 53.316 53.316 53.919 -0.603 17858 5432 1 15 . 1 1 60 60 ASN CB C 463 39.355 39.355 38.938 0.417 17858 5433 1 15 . 1 1 60 60 ASN H H 463 7.819 7.819 7.977 -0.158 17858 5434 1 15 . 1 1 61 61 CYS N N 464 121.670 121.670 121.044 0.626 17858 5435 1 15 . 1 1 61 61 CYS HA H 464 3.770 3.770 3.812 -0.042 17858 5436 1 15 . 1 1 61 61 CYS CA C 464 61.725 61.725 59.853 1.872 17858 5437 1 15 . 1 1 61 61 CYS CB C 464 30.891 30.891 26.719 4.172 17858 5438 1 15 . 1 1 61 61 CYS H H 464 7.049 7.049 8.188 -1.139 17858 5439 1 15 . 1 1 62 62 LYS N N 465 131.072 131.072 126.499 4.573 17858 5440 1 15 . 1 1 62 62 LYS HA H 465 4.312 4.312 4.313 -0.001 17858 5441 1 15 . 1 1 62 62 LYS CA C 465 55.230 55.230 56.092 -0.862 17858 5442 1 15 . 1 1 62 62 LYS CB C 465 32.794 32.794 32.326 0.468 17858 5443 1 15 . 1 1 62 62 LYS H H 465 8.836 8.836 8.333 0.503 17858 5444 1 15 . 1 1 63 63 ASN N N 466 119.130 119.130 116.971 2.159 17858 5445 1 15 . 1 1 63 63 ASN HA H 466 4.596 4.596 4.513 0.083 17858 5446 1 15 . 1 1 63 63 ASN CA C 466 52.210 52.210 51.704 0.506 17858 5447 1 15 . 1 1 63 63 ASN CB C 466 38.827 38.827 39.682 -0.855 17858 5448 1 15 . 1 1 63 63 ASN H H 466 7.660 7.660 7.504 0.156 17858 5449 1 15 . 1 1 64 64 ILE N N 467 125.111 125.111 117.787 7.324 17858 5450 1 15 . 1 1 64 64 ILE HA H 467 3.539 3.539 4.179 -0.640 17858 5451 1 15 . 1 1 64 64 ILE CA C 467 64.493 64.493 60.368 4.125 17858 5452 1 15 . 1 1 64 64 ILE CB C 467 38.068 38.068 37.841 0.227 17858 5453 1 15 . 1 1 64 64 ILE H H 467 8.475 8.475 7.727 0.748 17858 5454 1 15 . 1 1 65 65 TYR N N 468 118.920 118.920 117.468 1.452 17858 5455 1 15 . 1 1 65 65 TYR HA H 468 4.538 4.538 4.776 -0.238 17858 5456 1 15 . 1 1 65 65 TYR CA C 468 57.003 57.003 55.177 1.826 17858 5457 1 15 . 1 1 65 65 TYR CB C 468 37.716 37.716 36.799 0.917 17858 5458 1 15 . 1 1 65 65 TYR H H 468 7.462 7.462 7.017 0.445 17858 5459 1 15 . 1 1 66 66 CYS N N 469 122.658 122.658 121.372 1.286 17858 5460 1 15 . 1 1 66 66 CYS HA H 469 4.009 4.009 4.553 -0.544 17858 5461 1 15 . 1 1 66 66 CYS CA C 469 62.039 62.039 58.034 4.005 17858 5462 1 15 . 1 1 66 66 CYS CB C 469 31.455 31.455 28.561 2.894 17858 5463 1 15 . 1 1 66 66 CYS H H 469 7.305 7.305 8.205 -0.900 17858 5464 1 15 . 1 1 67 67 LEU N N 470 130.238 130.238 126.036 4.202 17858 5465 1 15 . 1 1 67 67 LEU HA H 470 4.353 4.353 4.347 0.006 17858 5466 1 15 . 1 1 67 67 LEU CA C 470 55.947 55.947 54.081 1.866 17858 5467 1 15 . 1 1 67 67 LEU CB C 470 42.125 42.125 41.283 0.842 17858 5468 1 15 . 1 1 67 67 LEU H H 470 9.002 9.002 8.290 0.712 17858 5469 1 15 . 1 1 68 68 PHE N N 471 120.946 120.946 117.717 3.229 17858 5470 1 15 . 1 1 68 68 PHE HA H 471 4.576 4.576 4.581 -0.005 17858 5471 1 15 . 1 1 68 68 PHE CA C 471 59.242 59.242 55.599 3.643 17858 5472 1 15 . 1 1 68 68 PHE CB C 471 39.865 39.865 40.477 -0.612 17858 5473 1 15 . 1 1 68 68 PHE H H 471 8.519 8.519 6.971 1.548 17858 5474 1 15 . 1 1 69 69 ARG N N 472 116.975 116.975 121.058 -4.083 17858 5475 1 15 . 1 1 69 69 ARG HA H 472 4.331 4.331 4.298 0.033 17858 5476 1 15 . 1 1 69 69 ARG CA C 472 56.933 56.933 54.981 1.952 17858 5477 1 15 . 1 1 69 69 ARG CB C 472 31.822 31.822 31.795 0.027 17858 5478 1 15 . 1 1 69 69 ARG H H 472 8.417 8.417 8.739 -0.322 17858 5479 1 15 . 1 1 70 70 HIS N N 473 118.809 118.809 121.634 -2.825 17858 5480 1 15 . 1 1 70 70 HIS HA H 473 4.991 4.991 4.836 0.155 17858 5481 1 15 . 1 1 70 70 HIS CA C 473 55.311 55.311 53.448 1.863 17858 5482 1 15 . 1 1 70 70 HIS CB C 473 30.613 30.613 30.774 -0.161 17858 5483 1 15 . 1 1 70 70 HIS H H 473 8.499 8.499 8.344 0.155 17858 5484 1 15 . 1 1 71 71 PRO HA H 474 4.742 4.742 4.554 0.188 17858 5485 1 15 . 1 1 71 71 PRO CA C 474 61.250 61.250 62.050 -0.800 17858 5486 1 15 . 1 1 71 71 PRO CB C 474 30.743 30.743 31.159 -0.416 17858 5487 1 15 . 1 1 72 72 PRO HA H 475 4.279 4.279 4.375 -0.096 17858 5488 1 15 . 1 1 72 72 PRO CA C 475 63.941 63.941 63.531 0.410 17858 5489 1 15 . 1 1 72 72 PRO CB C 475 32.122 32.122 31.568 0.554 17858 5490 1 15 . 1 1 73 73 GLY N N 476 106.525 106.525 111.173 -4.648 17858 5491 1 15 . 1 1 73 73 GLY CA C 476 45.142 45.142 44.872 0.270 17858 5492 1 15 . 1 1 73 73 GLY H H 476 8.359 8.359 8.814 -0.455 17858 5493 1 15 . 1 1 74 74 ARG N N 477 121.516 121.516 118.954 2.562 17858 5494 1 15 . 1 1 74 74 ARG HA H 477 4.223 4.223 4.506 -0.283 17858 5495 1 15 . 1 1 74 74 ARG CA C 477 57.021 57.021 55.530 1.491 17858 5496 1 15 . 1 1 74 74 ARG CB C 477 31.388 31.388 31.452 -0.064 17858 5497 1 15 . 1 1 74 74 ARG H H 477 7.255 7.255 7.745 -0.490 17858 5498 1 15 . 1 1 75 75 VAL N N 478 128.411 128.411 118.070 10.341 17858 5499 1 15 . 1 1 75 75 VAL HA H 478 4.054 4.054 4.206 -0.152 17858 5500 1 15 . 1 1 75 75 VAL CA C 478 61.925 61.925 62.323 -0.398 17858 5501 1 15 . 1 1 75 75 VAL CB C 478 33.788 33.788 33.846 -0.058 17858 5502 1 15 . 1 1 75 75 VAL H H 478 8.569 8.569 8.156 0.413 17858 5503 1 15 . 1 1 76 76 LEU N N 479 127.195 127.195 122.163 5.032 17858 5504 1 15 . 1 1 76 76 LEU HA H 479 4.462 4.462 4.813 -0.351 17858 5505 1 15 . 1 1 76 76 LEU CA C 479 52.474 52.474 52.227 0.247 17858 5506 1 15 . 1 1 76 76 LEU CB C 479 42.068 42.068 45.065 -2.997 17858 5507 1 15 . 1 1 76 76 LEU H H 479 8.338 8.338 8.382 -0.044 17858 5508 1 15 . 1 1 77 77 PRO HA H 480 4.251 4.251 4.425 -0.174 17858 5509 1 15 . 1 1 77 77 PRO CA C 480 63.072 63.072 62.850 0.222 17858 5510 1 15 . 1 1 77 77 PRO CB C 480 32.313 32.313 32.023 0.290 17858 5511 1 15 . 1 1 78 78 GLU N N 481 120.828 120.828 122.901 -2.073 17858 5512 1 15 . 1 1 78 78 GLU HA H 481 4.089 4.089 4.483 -0.394 17858 5513 1 15 . 1 1 78 78 GLU CA C 481 56.521 56.521 56.109 0.412 17858 5514 1 15 . 1 1 78 78 GLU CB C 481 31.032 31.032 31.537 -0.505 17858 5515 1 15 . 1 1 78 78 GLU H H 481 8.328 8.328 8.533 -0.205 17858 5516 1 15 . 1 1 79 79 LYS N N 482 123.778 123.778 124.856 -1.078 17858 5517 1 15 . 1 1 79 79 LYS HA H 482 4.166 4.166 4.548 -0.382 17858 5518 1 15 . 1 1 79 79 LYS CA C 482 56.581 56.581 56.895 -0.314 17858 5519 1 15 . 1 1 79 79 LYS CB C 482 33.279 33.279 32.637 0.642 17858 5520 1 15 . 1 1 79 79 LYS H H 482 8.332 8.332 8.596 -0.264 17858 5521 1 16 . 1 1 2 2 PRO HA H 405 4.356 4.356 4.779 -0.423 17858 5522 1 16 . 1 1 2 2 PRO CA C 405 63.329 63.329 63.014 0.315 17858 5523 1 16 . 1 1 2 2 PRO CB C 405 32.603 32.603 31.708 0.895 17858 5524 1 16 . 1 1 3 3 LEU N N 406 122.497 122.497 124.666 -2.169 17858 5525 1 16 . 1 1 3 3 LEU HA H 406 4.231 4.231 4.600 -0.369 17858 5526 1 16 . 1 1 3 3 LEU CA C 406 55.838 55.838 54.517 1.321 17858 5527 1 16 . 1 1 3 3 LEU CB C 406 42.529 42.529 44.693 -2.164 17858 5528 1 16 . 1 1 3 3 LEU H H 406 8.571 8.571 8.369 0.202 17858 5529 1 16 . 1 1 4 4 GLY N N 407 110.132 110.132 109.087 1.045 17858 5530 1 16 . 1 1 4 4 GLY CA C 407 45.746 45.746 44.261 1.485 17858 5531 1 16 . 1 1 4 4 GLY H H 407 8.504 8.504 8.242 0.262 17858 5532 1 16 . 1 1 5 5 SER N N 408 114.820 114.820 118.159 -3.339 17858 5533 1 16 . 1 1 5 5 SER HA H 408 4.321 4.321 4.599 -0.278 17858 5534 1 16 . 1 1 5 5 SER CA C 408 58.629 58.629 57.774 0.855 17858 5535 1 16 . 1 1 5 5 SER CB C 408 64.171 64.171 64.021 0.150 17858 5536 1 16 . 1 1 5 5 SER H H 408 8.087 8.087 8.353 -0.266 17858 5537 1 16 . 1 1 6 6 GLU N N 409 122.539 122.539 121.385 1.154 17858 5538 1 16 . 1 1 6 6 GLU HA H 409 4.137 4.137 4.236 -0.099 17858 5539 1 16 . 1 1 6 6 GLU CA C 409 57.076 57.076 57.285 -0.209 17858 5540 1 16 . 1 1 6 6 GLU CB C 409 30.420 30.420 28.826 1.594 17858 5541 1 16 . 1 1 6 6 GLU H H 409 8.483 8.483 8.183 0.300 17858 5542 1 16 . 1 1 7 7 LYS N N 410 120.141 120.141 121.841 -1.700 17858 5543 1 16 . 1 1 7 7 LYS HA H 410 4.332 4.332 4.428 -0.096 17858 5544 1 16 . 1 1 7 7 LYS CA C 410 56.279 56.279 56.441 -0.162 17858 5545 1 16 . 1 1 7 7 LYS CB C 410 33.875 33.875 32.988 0.887 17858 5546 1 16 . 1 1 7 7 LYS H H 410 7.997 7.997 8.399 -0.402 17858 5547 1 16 . 1 1 8 8 SER N N 411 114.672 114.672 115.049 -0.377 17858 5548 1 16 . 1 1 8 8 SER HA H 411 4.542 4.542 4.766 -0.224 17858 5549 1 16 . 1 1 8 8 SER CA C 411 56.092 56.092 56.660 -0.568 17858 5550 1 16 . 1 1 8 8 SER CB C 411 65.009 65.009 64.572 0.437 17858 5551 1 16 . 1 1 8 8 SER H H 411 8.214 8.214 7.725 0.489 17858 5552 1 16 . 1 1 9 9 LEU N N 412 122.535 122.535 122.300 0.235 17858 5553 1 16 . 1 1 9 9 LEU HA H 412 3.938 3.938 4.566 -0.628 17858 5554 1 16 . 1 1 9 9 LEU CA C 412 55.495 55.495 53.593 1.901 17858 5555 1 16 . 1 1 9 9 LEU CB C 412 42.864 42.864 40.272 2.592 17858 5556 1 16 . 1 1 9 9 LEU H H 412 8.487 8.487 8.577 -0.090 17858 5557 1 16 . 1 1 10 10 GLU N N 413 121.582 121.582 119.526 2.056 17858 5558 1 16 . 1 1 10 10 GLU HA H 413 3.804 3.804 4.512 -0.708 17858 5559 1 16 . 1 1 10 10 GLU CA C 413 57.749 57.749 55.342 2.407 17858 5560 1 16 . 1 1 10 10 GLU CB C 413 29.807 29.807 31.921 -2.114 17858 5561 1 16 . 1 1 10 10 GLU H H 413 8.483 8.483 8.073 0.410 17858 5562 1 16 . 1 1 11 11 GLN N N 414 124.052 124.052 118.859 5.193 17858 5563 1 16 . 1 1 11 11 GLN HA H 414 3.768 3.768 4.739 -0.971 17858 5564 1 16 . 1 1 11 11 GLN CA C 414 55.415 55.415 54.452 0.963 17858 5565 1 16 . 1 1 11 11 GLN CB C 414 29.918 29.918 31.444 -1.526 17858 5566 1 16 . 1 1 11 11 GLN H H 414 8.475 8.475 8.427 0.048 17858 5567 1 16 . 1 1 12 12 CYS N N 415 129.067 129.067 123.872 5.195 17858 5568 1 16 . 1 1 12 12 CYS HA H 415 3.668 3.668 4.392 -0.724 17858 5569 1 16 . 1 1 12 12 CYS CA C 415 61.173 61.173 60.038 1.135 17858 5570 1 16 . 1 1 12 12 CYS CB C 415 30.342 30.342 28.695 1.647 17858 5571 1 16 . 1 1 12 12 CYS H H 415 9.290 9.290 8.354 0.936 17858 5572 1 16 . 1 1 13 13 LYS N N 416 129.282 129.282 125.933 3.349 17858 5573 1 16 . 1 1 13 13 LYS HA H 416 3.814 3.814 4.620 -0.806 17858 5574 1 16 . 1 1 13 13 LYS CA C 416 58.772 58.772 57.398 1.374 17858 5575 1 16 . 1 1 13 13 LYS CB C 416 32.186 32.186 31.741 0.445 17858 5576 1 16 . 1 1 13 13 LYS H H 416 8.623 8.623 8.621 0.002 17858 5577 1 16 . 1 1 14 14 PHE N N 417 119.338 119.338 119.766 -0.428 17858 5578 1 16 . 1 1 14 14 PHE HA H 417 4.613 4.613 4.616 -0.003 17858 5579 1 16 . 1 1 14 14 PHE CA C 417 58.971 58.971 57.626 1.345 17858 5580 1 16 . 1 1 14 14 PHE CB C 417 39.352 39.352 39.980 -0.628 17858 5581 1 16 . 1 1 14 14 PHE H H 417 8.603 8.603 7.796 0.807 17858 5582 1 16 . 1 1 15 15 GLY N N 418 107.206 107.206 108.235 -1.029 17858 5583 1 16 . 1 1 15 15 GLY CA C 418 47.937 47.937 46.687 1.250 17858 5584 1 16 . 1 1 15 15 GLY H H 418 7.472 7.472 8.198 -0.726 17858 5585 1 16 . 1 1 16 16 THR N N 419 117.234 117.234 117.854 -0.620 17858 5586 1 16 . 1 1 16 16 THR HA H 419 4.002 4.002 4.355 -0.353 17858 5587 1 16 . 1 1 16 16 THR CA C 419 63.842 63.842 62.674 1.168 17858 5588 1 16 . 1 1 16 16 THR CB C 419 68.778 68.778 68.804 -0.026 17858 5589 1 16 . 1 1 16 16 THR H H 419 8.740 8.740 8.594 0.146 17858 5590 1 16 . 1 1 17 17 HIS N N 420 118.028 118.028 122.083 -4.055 17858 5591 1 16 . 1 1 17 17 HIS HA H 420 4.581 4.581 4.813 -0.232 17858 5592 1 16 . 1 1 17 17 HIS CA C 420 55.612 55.612 55.347 0.265 17858 5593 1 16 . 1 1 17 17 HIS CB C 420 29.751 29.751 29.217 0.534 17858 5594 1 16 . 1 1 17 17 HIS H H 420 8.059 8.059 7.729 0.330 17858 5595 1 16 . 1 1 18 18 CYS N N 421 122.824 122.824 120.847 1.977 17858 5596 1 16 . 1 1 18 18 CYS HA H 421 3.849 3.849 4.714 -0.865 17858 5597 1 16 . 1 1 18 18 CYS CA C 421 61.733 61.733 59.690 2.043 17858 5598 1 16 . 1 1 18 18 CYS CB C 421 30.570 30.570 27.034 3.537 17858 5599 1 16 . 1 1 18 18 CYS H H 421 7.288 7.288 8.283 -0.995 17858 5600 1 16 . 1 1 19 19 THR N N 422 119.018 119.018 121.475 -2.457 17858 5601 1 16 . 1 1 19 19 THR HA H 422 4.348 4.348 4.475 -0.127 17858 5602 1 16 . 1 1 19 19 THR CA C 422 61.292 61.292 60.858 0.434 17858 5603 1 16 . 1 1 19 19 THR CB C 422 69.612 69.612 68.198 1.414 17858 5604 1 16 . 1 1 19 19 THR H H 422 8.435 8.435 8.492 -0.057 17858 5605 1 16 . 1 1 20 20 ASN N N 423 121.923 121.923 120.466 1.457 17858 5606 1 16 . 1 1 20 20 ASN HA H 423 4.690 4.690 4.905 -0.215 17858 5607 1 16 . 1 1 20 20 ASN CA C 423 52.203 52.203 52.739 -0.536 17858 5608 1 16 . 1 1 20 20 ASN CB C 423 38.747 38.747 41.086 -2.338 17858 5609 1 16 . 1 1 20 20 ASN H H 423 7.924 7.924 7.966 -0.042 17858 5610 1 16 . 1 1 21 21 LYS N N 424 127.775 127.775 123.606 4.169 17858 5611 1 16 . 1 1 21 21 LYS HA H 424 3.922 3.922 4.200 -0.278 17858 5612 1 16 . 1 1 21 21 LYS CA C 424 58.647 58.647 57.777 0.870 17858 5613 1 16 . 1 1 21 21 LYS CB C 424 32.289 32.289 32.949 -0.660 17858 5614 1 16 . 1 1 21 21 LYS H H 424 9.094 9.094 8.522 0.572 17858 5615 1 16 . 1 1 22 22 ARG N N 425 116.206 116.206 115.863 0.343 17858 5616 1 16 . 1 1 22 22 ARG HA H 425 4.270 4.270 4.401 -0.131 17858 5617 1 16 . 1 1 22 22 ARG CA C 425 54.832 54.832 54.758 0.074 17858 5618 1 16 . 1 1 22 22 ARG CB C 425 29.549 29.549 28.798 0.751 17858 5619 1 16 . 1 1 22 22 ARG H H 425 7.825 7.825 7.720 0.105 17858 5620 1 16 . 1 1 23 23 CYS N N 426 123.387 123.387 121.246 2.141 17858 5621 1 16 . 1 1 23 23 CYS HA H 426 3.867 3.867 4.198 -0.331 17858 5622 1 16 . 1 1 23 23 CYS CA C 426 62.205 62.205 60.289 1.916 17858 5623 1 16 . 1 1 23 23 CYS CB C 426 30.940 30.940 28.887 2.053 17858 5624 1 16 . 1 1 23 23 CYS H H 426 7.273 7.273 8.283 -1.010 17858 5625 1 16 . 1 1 24 24 LYS N N 427 128.443 128.443 127.105 1.338 17858 5626 1 16 . 1 1 24 24 LYS HA H 427 4.299 4.299 4.158 0.141 17858 5627 1 16 . 1 1 24 24 LYS CA C 427 57.047 57.047 55.131 1.916 17858 5628 1 16 . 1 1 24 24 LYS CB C 427 33.275 33.275 31.900 1.375 17858 5629 1 16 . 1 1 24 24 LYS H H 427 8.525 8.525 7.700 0.825 17858 5630 1 16 . 1 1 25 25 TYR N N 428 123.059 123.059 116.375 6.684 17858 5631 1 16 . 1 1 25 25 TYR HA H 428 4.569 4.569 4.675 -0.106 17858 5632 1 16 . 1 1 25 25 TYR CA C 428 58.470 58.470 55.559 2.911 17858 5633 1 16 . 1 1 25 25 TYR CB C 428 39.830 39.830 40.491 -0.661 17858 5634 1 16 . 1 1 25 25 TYR H H 428 8.066 8.066 6.936 1.130 17858 5635 1 16 . 1 1 26 26 ARG N N 429 116.840 116.840 118.335 -1.495 17858 5636 1 16 . 1 1 26 26 ARG HA H 429 4.429 4.429 4.441 -0.012 17858 5637 1 16 . 1 1 26 26 ARG CA C 429 58.979 58.979 55.041 3.938 17858 5638 1 16 . 1 1 26 26 ARG CB C 429 33.073 33.073 31.819 1.254 17858 5639 1 16 . 1 1 26 26 ARG H H 429 8.275 8.275 8.801 -0.526 17858 5640 1 16 . 1 1 27 27 HIS N N 430 117.522 117.522 119.701 -2.179 17858 5641 1 16 . 1 1 27 27 HIS HA H 430 4.553 4.553 4.909 -0.356 17858 5642 1 16 . 1 1 27 27 HIS CA C 430 56.912 56.912 54.931 1.981 17858 5643 1 16 . 1 1 27 27 HIS CB C 430 30.715 30.715 33.125 -2.410 17858 5644 1 16 . 1 1 27 27 HIS H H 430 8.154 8.154 8.805 -0.651 17858 5645 1 16 . 1 1 28 28 ALA N N 431 126.087 126.087 127.333 -1.246 17858 5646 1 16 . 1 1 28 28 ALA HA H 431 4.106 4.106 4.399 -0.293 17858 5647 1 16 . 1 1 28 28 ALA CA C 431 51.833 51.833 52.141 -0.308 17858 5648 1 16 . 1 1 28 28 ALA CB C 431 18.291 18.291 19.213 -0.922 17858 5649 1 16 . 1 1 28 28 ALA H H 431 8.061 8.061 8.729 -0.668 17858 5650 1 16 . 1 1 29 29 ARG N N 432 121.538 121.538 123.045 -1.507 17858 5651 1 16 . 1 1 29 29 ARG HA H 432 4.280 4.280 4.568 -0.288 17858 5652 1 16 . 1 1 29 29 ARG CA C 432 55.492 55.492 56.160 -0.668 17858 5653 1 16 . 1 1 29 29 ARG CB C 432 31.353 31.353 30.778 0.575 17858 5654 1 16 . 1 1 29 29 ARG H H 432 8.630 8.630 8.937 -0.307 17858 5655 1 16 . 1 1 30 30 SER N N 433 112.439 112.439 113.690 -1.251 17858 5656 1 16 . 1 1 30 30 SER HA H 433 4.463 4.463 4.540 -0.077 17858 5657 1 16 . 1 1 30 30 SER CA C 433 56.566 56.566 57.347 -0.781 17858 5658 1 16 . 1 1 30 30 SER CB C 433 64.803 64.803 65.421 -0.618 17858 5659 1 16 . 1 1 30 30 SER H H 433 7.450 7.450 7.753 -0.303 17858 5660 1 16 . 1 1 31 31 HIS N N 434 121.494 121.494 118.111 3.383 17858 5661 1 16 . 1 1 31 31 HIS HA H 434 4.279 4.279 4.509 -0.230 17858 5662 1 16 . 1 1 31 31 HIS CA C 434 56.955 56.955 55.098 1.857 17858 5663 1 16 . 1 1 31 31 HIS CB C 434 29.834 29.834 28.911 0.923 17858 5664 1 16 . 1 1 31 31 HIS H H 434 8.132 8.132 8.368 -0.236 17858 5665 1 16 . 1 1 32 32 ILE N N 435 123.851 123.851 123.554 0.297 17858 5666 1 16 . 1 1 32 32 ILE HA H 435 3.506 3.506 3.854 -0.348 17858 5667 1 16 . 1 1 32 32 ILE CA C 435 61.345 61.345 59.207 2.138 17858 5668 1 16 . 1 1 32 32 ILE CB C 435 37.765 37.765 36.456 1.309 17858 5669 1 16 . 1 1 32 32 ILE H H 435 7.858 7.858 7.981 -0.123 17858 5670 1 16 . 1 1 33 33 MET N N 436 125.294 125.294 124.534 0.760 17858 5671 1 16 . 1 1 33 33 MET HA H 436 4.050 4.050 4.688 -0.638 17858 5672 1 16 . 1 1 33 33 MET CA C 436 54.733 54.733 56.019 -1.286 17858 5673 1 16 . 1 1 33 33 MET CB C 436 31.934 31.934 33.870 -1.936 17858 5674 1 16 . 1 1 33 33 MET H H 436 8.317 8.317 8.357 -0.040 17858 5675 1 16 . 1 1 34 34 CYS N N 437 127.958 127.958 119.387 8.571 17858 5676 1 16 . 1 1 34 34 CYS HA H 437 3.389 3.389 5.102 -1.713 17858 5677 1 16 . 1 1 34 34 CYS CA C 437 61.544 61.544 58.236 3.308 17858 5678 1 16 . 1 1 34 34 CYS CB C 437 31.325 31.325 29.525 1.800 17858 5679 1 16 . 1 1 34 34 CYS H H 437 9.255 9.255 8.403 0.852 17858 5680 1 16 . 1 1 35 35 ARG N N 438 131.582 131.582 126.879 4.703 17858 5681 1 16 . 1 1 35 35 ARG HA H 438 3.887 3.887 4.183 -0.296 17858 5682 1 16 . 1 1 35 35 ARG CA C 438 59.466 59.466 58.842 0.624 17858 5683 1 16 . 1 1 35 35 ARG CB C 438 30.251 30.251 30.064 0.188 17858 5684 1 16 . 1 1 35 35 ARG H H 438 8.645 8.645 9.209 -0.564 17858 5685 1 16 . 1 1 36 36 GLU N N 439 117.530 117.530 117.827 -0.297 17858 5686 1 16 . 1 1 36 36 GLU HA H 439 4.284 4.284 4.346 -0.062 17858 5687 1 16 . 1 1 36 36 GLU CA C 439 57.440 57.440 56.109 1.331 17858 5688 1 16 . 1 1 36 36 GLU CB C 439 30.295 30.295 29.540 0.756 17858 5689 1 16 . 1 1 36 36 GLU H H 439 8.302 8.302 8.035 0.267 17858 5690 1 16 . 1 1 37 37 GLY N N 440 107.589 107.589 108.840 -1.251 17858 5691 1 16 . 1 1 37 37 GLY CA C 440 47.353 47.353 45.779 1.574 17858 5692 1 16 . 1 1 37 37 GLY H H 440 7.518 7.518 8.184 -0.666 17858 5693 1 16 . 1 1 38 38 ALA N N 441 126.673 126.673 125.329 1.344 17858 5694 1 16 . 1 1 38 38 ALA HA H 441 4.180 4.180 4.310 -0.130 17858 5695 1 16 . 1 1 38 38 ALA CA C 441 53.717 53.717 53.047 0.670 17858 5696 1 16 . 1 1 38 38 ALA CB C 441 19.127 19.127 18.339 0.788 17858 5697 1 16 . 1 1 38 38 ALA H H 441 9.114 9.114 8.597 0.517 17858 5698 1 16 . 1 1 39 39 ASN N N 442 113.951 113.951 115.998 -2.047 17858 5699 1 16 . 1 1 39 39 ASN HA H 442 4.655 4.655 4.777 -0.122 17858 5700 1 16 . 1 1 39 39 ASN CA C 442 52.940 52.940 52.916 0.024 17858 5701 1 16 . 1 1 39 39 ASN CB C 442 39.264 39.264 39.008 0.256 17858 5702 1 16 . 1 1 39 39 ASN H H 442 8.072 8.072 7.790 0.282 17858 5703 1 16 . 1 1 40 40 CYS N N 443 122.245 122.245 119.859 2.386 17858 5704 1 16 . 1 1 40 40 CYS HA H 443 4.070 4.070 4.204 -0.134 17858 5705 1 16 . 1 1 40 40 CYS CA C 443 60.661 60.661 60.090 0.571 17858 5706 1 16 . 1 1 40 40 CYS CB C 443 31.037 31.037 27.672 3.365 17858 5707 1 16 . 1 1 40 40 CYS H H 443 7.237 7.237 7.441 -0.204 17858 5708 1 16 . 1 1 41 41 THR N N 444 120.684 120.684 116.582 4.102 17858 5709 1 16 . 1 1 41 41 THR HA H 444 4.411 4.411 4.356 0.055 17858 5710 1 16 . 1 1 41 41 THR CA C 444 61.110 61.110 61.669 -0.559 17858 5711 1 16 . 1 1 41 41 THR CB C 444 68.937 68.937 68.553 0.383 17858 5712 1 16 . 1 1 41 41 THR H H 444 9.033 9.033 8.354 0.679 17858 5713 1 16 . 1 1 42 42 ARG N N 445 123.977 123.977 121.034 2.943 17858 5714 1 16 . 1 1 42 42 ARG HA H 445 4.329 4.329 4.497 -0.168 17858 5715 1 16 . 1 1 42 42 ARG CA C 445 56.416 56.416 55.382 1.034 17858 5716 1 16 . 1 1 42 42 ARG CB C 445 30.604 30.604 33.100 -2.496 17858 5717 1 16 . 1 1 42 42 ARG H H 445 7.927 7.927 7.518 0.409 17858 5718 1 16 . 1 1 43 43 ILE N N 446 132.203 132.203 122.563 9.640 17858 5719 1 16 . 1 1 43 43 ILE HA H 446 3.609 3.609 4.213 -0.604 17858 5720 1 16 . 1 1 43 43 ILE CA C 446 63.023 63.023 61.678 1.345 17858 5721 1 16 . 1 1 43 43 ILE CB C 446 38.463 38.463 38.687 -0.224 17858 5722 1 16 . 1 1 43 43 ILE H H 446 9.010 9.010 8.582 0.428 17858 5723 1 16 . 1 1 44 44 ASP N N 447 116.309 116.309 119.464 -3.155 17858 5724 1 16 . 1 1 44 44 ASP HA H 447 4.555 4.555 4.683 -0.128 17858 5725 1 16 . 1 1 44 44 ASP CA C 447 52.727 52.727 53.732 -1.005 17858 5726 1 16 . 1 1 44 44 ASP CB C 447 40.177 40.177 40.904 -0.727 17858 5727 1 16 . 1 1 44 44 ASP H H 447 8.191 8.191 7.974 0.217 17858 5728 1 16 . 1 1 45 45 CYS N N 448 121.173 121.173 119.945 1.228 17858 5729 1 16 . 1 1 45 45 CYS HA H 448 3.913 3.913 4.474 -0.561 17858 5730 1 16 . 1 1 45 45 CYS CA C 448 62.082 62.082 58.832 3.250 17858 5731 1 16 . 1 1 45 45 CYS CB C 448 31.510 31.510 27.101 4.409 17858 5732 1 16 . 1 1 45 45 CYS H H 448 7.113 7.113 8.048 -0.935 17858 5733 1 16 . 1 1 46 46 LEU N N 449 128.150 128.150 127.916 0.234 17858 5734 1 16 . 1 1 46 46 LEU HA H 449 4.657 4.657 4.758 -0.101 17858 5735 1 16 . 1 1 46 46 LEU CA C 449 55.144 55.144 54.022 1.122 17858 5736 1 16 . 1 1 46 46 LEU CB C 449 43.004 43.004 41.208 1.796 17858 5737 1 16 . 1 1 46 46 LEU H H 449 8.451 8.451 8.539 -0.088 17858 5738 1 16 . 1 1 47 47 PHE N N 450 120.646 120.646 119.595 1.051 17858 5739 1 16 . 1 1 47 47 PHE HA H 450 4.527 4.527 4.931 -0.404 17858 5740 1 16 . 1 1 47 47 PHE CA C 450 58.198 58.198 54.693 3.505 17858 5741 1 16 . 1 1 47 47 PHE CB C 450 39.901 39.901 40.949 -1.048 17858 5742 1 16 . 1 1 47 47 PHE H H 450 8.390 8.390 7.237 1.153 17858 5743 1 16 . 1 1 48 48 GLY N N 451 104.118 104.118 109.156 -5.038 17858 5744 1 16 . 1 1 48 48 GLY CA C 451 47.675 47.675 44.827 2.849 17858 5745 1 16 . 1 1 48 48 GLY H H 451 8.643 8.643 8.346 0.297 17858 5746 1 16 . 1 1 49 49 HIS N N 452 119.710 119.710 124.129 -4.419 17858 5747 1 16 . 1 1 49 49 HIS HA H 452 4.725 4.725 4.767 -0.042 17858 5748 1 16 . 1 1 49 49 HIS CA C 452 54.408 54.408 52.661 1.747 17858 5749 1 16 . 1 1 49 49 HIS CB C 452 29.515 29.515 32.201 -2.686 17858 5750 1 16 . 1 1 49 49 HIS H H 452 6.951 6.951 8.093 -1.142 17858 5751 1 16 . 1 1 50 50 PRO HA H 453 4.291 4.291 4.449 -0.158 17858 5752 1 16 . 1 1 50 50 PRO CA C 453 63.872 63.872 63.035 0.837 17858 5753 1 16 . 1 1 50 50 PRO CB C 453 32.724 32.724 32.788 -0.064 17858 5754 1 16 . 1 1 51 51 ILE N N 454 122.942 122.942 118.038 4.904 17858 5755 1 16 . 1 1 51 51 ILE HA H 454 3.787 3.787 4.249 -0.462 17858 5756 1 16 . 1 1 51 51 ILE CA C 454 61.010 61.010 60.277 0.733 17858 5757 1 16 . 1 1 51 51 ILE CB C 454 40.204 40.204 42.849 -2.646 17858 5758 1 16 . 1 1 51 51 ILE H H 454 8.189 8.189 8.054 0.135 17858 5759 1 16 . 1 1 52 52 ASN N N 455 128.496 128.496 124.814 3.682 17858 5760 1 16 . 1 1 52 52 ASN HA H 455 4.641 4.641 4.731 -0.090 17858 5761 1 16 . 1 1 52 52 ASN CA C 455 52.832 52.832 53.742 -0.909 17858 5762 1 16 . 1 1 52 52 ASN CB C 455 36.969 36.969 38.136 -1.167 17858 5763 1 16 . 1 1 52 52 ASN H H 455 8.791 8.791 8.665 0.126 17858 5764 1 16 . 1 1 53 53 GLU N N 456 120.059 120.059 122.332 -2.273 17858 5765 1 16 . 1 1 53 53 GLU HA H 456 4.318 4.318 4.514 -0.196 17858 5766 1 16 . 1 1 53 53 GLU CA C 456 55.588 55.588 55.108 0.480 17858 5767 1 16 . 1 1 53 53 GLU CB C 456 33.826 33.826 34.340 -0.514 17858 5768 1 16 . 1 1 53 53 GLU H H 456 8.177 8.177 8.038 0.139 17858 5769 1 16 . 1 1 54 54 ASP N N 457 124.404 124.404 122.506 1.898 17858 5770 1 16 . 1 1 54 54 ASP HA H 457 4.446 4.446 5.288 -0.842 17858 5771 1 16 . 1 1 54 54 ASP CA C 457 55.594 55.594 53.334 2.260 17858 5772 1 16 . 1 1 54 54 ASP CB C 457 41.033 41.033 41.688 -0.655 17858 5773 1 16 . 1 1 54 54 ASP H H 457 8.923 8.923 8.408 0.515 17858 5774 1 16 . 1 1 55 55 CYS N N 458 125.765 125.765 123.022 2.743 17858 5775 1 16 . 1 1 55 55 CYS HA H 458 3.360 3.360 4.330 -0.970 17858 5776 1 16 . 1 1 55 55 CYS CA C 458 61.284 61.284 59.942 1.342 17858 5777 1 16 . 1 1 55 55 CYS CB C 458 31.125 31.125 29.069 2.056 17858 5778 1 16 . 1 1 55 55 CYS H H 458 9.113 9.113 7.983 1.130 17858 5779 1 16 . 1 1 56 56 ARG N N 459 130.790 130.790 123.341 7.449 17858 5780 1 16 . 1 1 56 56 ARG HA H 459 3.875 3.875 4.156 -0.281 17858 5781 1 16 . 1 1 56 56 ARG CA C 459 58.610 58.610 58.051 0.559 17858 5782 1 16 . 1 1 56 56 ARG CB C 459 29.566 29.566 29.858 -0.292 17858 5783 1 16 . 1 1 56 56 ARG H H 459 8.601 8.601 8.595 0.006 17858 5784 1 16 . 1 1 57 57 PHE N N 460 119.175 119.175 118.554 0.621 17858 5785 1 16 . 1 1 57 57 PHE HA H 460 4.560 4.560 4.444 0.116 17858 5786 1 16 . 1 1 57 57 PHE CA C 460 58.367 58.367 58.688 -0.321 17858 5787 1 16 . 1 1 57 57 PHE CB C 460 39.049 39.049 39.566 -0.517 17858 5788 1 16 . 1 1 57 57 PHE H H 460 8.589 8.589 7.849 0.740 17858 5789 1 16 . 1 1 58 58 GLY N N 461 107.317 107.317 106.296 1.021 17858 5790 1 16 . 1 1 58 58 GLY CA C 461 47.253 47.253 45.278 1.975 17858 5791 1 16 . 1 1 58 58 GLY H H 461 7.386 7.386 8.526 -1.140 17858 5792 1 16 . 1 1 59 59 VAL N N 462 120.829 120.829 118.468 2.361 17858 5793 1 16 . 1 1 59 59 VAL HA H 462 3.674 3.674 4.301 -0.627 17858 5794 1 16 . 1 1 59 59 VAL CA C 462 64.142 64.142 62.826 1.316 17858 5795 1 16 . 1 1 59 59 VAL CB C 462 32.275 32.275 31.770 0.505 17858 5796 1 16 . 1 1 59 59 VAL H H 462 8.881 8.881 8.326 0.555 17858 5797 1 16 . 1 1 60 60 ASN N N 463 114.923 114.923 117.703 -2.780 17858 5798 1 16 . 1 1 60 60 ASN HA H 463 4.667 4.667 4.666 0.001 17858 5799 1 16 . 1 1 60 60 ASN CA C 463 53.316 53.316 53.684 -0.368 17858 5800 1 16 . 1 1 60 60 ASN CB C 463 39.355 39.355 38.761 0.594 17858 5801 1 16 . 1 1 60 60 ASN H H 463 7.819 7.819 8.239 -0.420 17858 5802 1 16 . 1 1 61 61 CYS N N 464 121.670 121.670 120.909 0.761 17858 5803 1 16 . 1 1 61 61 CYS HA H 464 3.770 3.770 3.923 -0.153 17858 5804 1 16 . 1 1 61 61 CYS CA C 464 61.725 61.725 60.113 1.612 17858 5805 1 16 . 1 1 61 61 CYS CB C 464 30.891 30.891 26.619 4.272 17858 5806 1 16 . 1 1 61 61 CYS H H 464 7.049 7.049 8.169 -1.120 17858 5807 1 16 . 1 1 62 62 LYS N N 465 131.072 131.072 127.118 3.954 17858 5808 1 16 . 1 1 62 62 LYS HA H 465 4.312 4.312 4.331 -0.019 17858 5809 1 16 . 1 1 62 62 LYS CA C 465 55.230 55.230 55.782 -0.552 17858 5810 1 16 . 1 1 62 62 LYS CB C 465 32.794 32.794 32.368 0.426 17858 5811 1 16 . 1 1 62 62 LYS H H 465 8.836 8.836 8.235 0.601 17858 5812 1 16 . 1 1 63 63 ASN N N 466 119.130 119.130 116.891 2.239 17858 5813 1 16 . 1 1 63 63 ASN HA H 466 4.596 4.596 4.603 -0.007 17858 5814 1 16 . 1 1 63 63 ASN CA C 466 52.210 52.210 52.078 0.132 17858 5815 1 16 . 1 1 63 63 ASN CB C 466 38.827 38.827 40.212 -1.385 17858 5816 1 16 . 1 1 63 63 ASN H H 466 7.660 7.660 7.833 -0.173 17858 5817 1 16 . 1 1 64 64 ILE N N 467 125.111 125.111 118.752 6.359 17858 5818 1 16 . 1 1 64 64 ILE HA H 467 3.539 3.539 4.299 -0.760 17858 5819 1 16 . 1 1 64 64 ILE CA C 467 64.493 64.493 60.635 3.858 17858 5820 1 16 . 1 1 64 64 ILE CB C 467 38.068 38.068 38.363 -0.295 17858 5821 1 16 . 1 1 64 64 ILE H H 467 8.475 8.475 7.615 0.860 17858 5822 1 16 . 1 1 65 65 TYR N N 468 118.920 118.920 115.716 3.204 17858 5823 1 16 . 1 1 65 65 TYR HA H 468 4.538 4.538 4.753 -0.215 17858 5824 1 16 . 1 1 65 65 TYR CA C 468 57.003 57.003 54.150 2.853 17858 5825 1 16 . 1 1 65 65 TYR CB C 468 37.716 37.716 37.239 0.477 17858 5826 1 16 . 1 1 65 65 TYR H H 468 7.462 7.462 7.087 0.375 17858 5827 1 16 . 1 1 66 66 CYS N N 469 122.658 122.658 121.494 1.164 17858 5828 1 16 . 1 1 66 66 CYS HA H 469 4.009 4.009 4.588 -0.579 17858 5829 1 16 . 1 1 66 66 CYS CA C 469 62.039 62.039 58.147 3.892 17858 5830 1 16 . 1 1 66 66 CYS CB C 469 31.455 31.455 28.432 3.023 17858 5831 1 16 . 1 1 66 66 CYS H H 469 7.305 7.305 8.266 -0.961 17858 5832 1 16 . 1 1 67 67 LEU N N 470 130.238 130.238 126.576 3.662 17858 5833 1 16 . 1 1 67 67 LEU HA H 470 4.353 4.353 4.464 -0.111 17858 5834 1 16 . 1 1 67 67 LEU CA C 470 55.947 55.947 54.190 1.757 17858 5835 1 16 . 1 1 67 67 LEU CB C 470 42.125 42.125 41.471 0.654 17858 5836 1 16 . 1 1 67 67 LEU H H 470 9.002 9.002 8.388 0.614 17858 5837 1 16 . 1 1 68 68 PHE N N 471 120.946 120.946 118.881 2.065 17858 5838 1 16 . 1 1 68 68 PHE HA H 471 4.576 4.576 4.642 -0.066 17858 5839 1 16 . 1 1 68 68 PHE CA C 471 59.242 59.242 55.100 4.141 17858 5840 1 16 . 1 1 68 68 PHE CB C 471 39.865 39.865 40.748 -0.883 17858 5841 1 16 . 1 1 68 68 PHE H H 471 8.519 8.519 7.073 1.446 17858 5842 1 16 . 1 1 69 69 ARG N N 472 116.975 116.975 120.106 -3.131 17858 5843 1 16 . 1 1 69 69 ARG HA H 472 4.331 4.331 4.390 -0.059 17858 5844 1 16 . 1 1 69 69 ARG CA C 472 56.933 56.933 54.038 2.895 17858 5845 1 16 . 1 1 69 69 ARG CB C 472 31.822 31.822 31.246 0.576 17858 5846 1 16 . 1 1 69 69 ARG H H 472 8.417 8.417 8.896 -0.479 17858 5847 1 16 . 1 1 70 70 HIS N N 473 118.809 118.809 123.908 -5.099 17858 5848 1 16 . 1 1 70 70 HIS HA H 473 4.991 4.991 4.825 0.166 17858 5849 1 16 . 1 1 70 70 HIS CA C 473 55.311 55.311 53.815 1.496 17858 5850 1 16 . 1 1 70 70 HIS CB C 473 30.613 30.613 30.209 0.404 17858 5851 1 16 . 1 1 70 70 HIS H H 473 8.499 8.499 8.446 0.053 17858 5852 1 16 . 1 1 71 71 PRO HA H 474 4.742 4.742 4.582 0.160 17858 5853 1 16 . 1 1 71 71 PRO CA C 474 61.250 61.250 61.883 -0.633 17858 5854 1 16 . 1 1 71 71 PRO CB C 474 30.743 30.743 31.172 -0.429 17858 5855 1 16 . 1 1 72 72 PRO HA H 475 4.279 4.279 4.397 -0.118 17858 5856 1 16 . 1 1 72 72 PRO CA C 475 63.941 63.941 63.395 0.546 17858 5857 1 16 . 1 1 72 72 PRO CB C 475 32.122 32.122 31.404 0.718 17858 5858 1 16 . 1 1 73 73 GLY N N 476 106.525 106.525 112.231 -5.706 17858 5859 1 16 . 1 1 73 73 GLY CA C 476 45.142 45.142 44.830 0.312 17858 5860 1 16 . 1 1 73 73 GLY H H 476 8.359 8.359 8.805 -0.446 17858 5861 1 16 . 1 1 74 74 ARG N N 477 121.516 121.516 119.409 2.107 17858 5862 1 16 . 1 1 74 74 ARG HA H 477 4.223 4.223 4.478 -0.255 17858 5863 1 16 . 1 1 74 74 ARG CA C 477 57.021 57.021 55.518 1.503 17858 5864 1 16 . 1 1 74 74 ARG CB C 477 31.388 31.388 31.681 -0.293 17858 5865 1 16 . 1 1 74 74 ARG H H 477 7.255 7.255 7.758 -0.503 17858 5866 1 16 . 1 1 75 75 VAL N N 478 128.411 128.411 117.398 11.013 17858 5867 1 16 . 1 1 75 75 VAL HA H 478 4.054 4.054 4.295 -0.241 17858 5868 1 16 . 1 1 75 75 VAL CA C 478 61.925 61.925 61.370 0.555 17858 5869 1 16 . 1 1 75 75 VAL CB C 478 33.788 33.788 33.511 0.277 17858 5870 1 16 . 1 1 75 75 VAL H H 478 8.569 8.569 8.426 0.143 17858 5871 1 16 . 1 1 76 76 LEU N N 479 127.195 127.195 122.269 4.926 17858 5872 1 16 . 1 1 76 76 LEU HA H 479 4.462 4.462 4.774 -0.312 17858 5873 1 16 . 1 1 76 76 LEU CA C 479 52.474 52.474 52.703 -0.229 17858 5874 1 16 . 1 1 76 76 LEU CB C 479 42.068 42.068 43.894 -1.826 17858 5875 1 16 . 1 1 76 76 LEU H H 479 8.338 8.338 8.123 0.215 17858 5876 1 16 . 1 1 77 77 PRO HA H 480 4.251 4.251 4.502 -0.251 17858 5877 1 16 . 1 1 77 77 PRO CA C 480 63.072 63.072 63.071 0.001 17858 5878 1 16 . 1 1 77 77 PRO CB C 480 32.313 32.313 32.675 -0.362 17858 5879 1 16 . 1 1 78 78 GLU N N 481 120.828 120.828 119.659 1.169 17858 5880 1 16 . 1 1 78 78 GLU HA H 481 4.089 4.089 4.924 -0.835 17858 5881 1 16 . 1 1 78 78 GLU CA C 481 56.521 56.521 55.332 1.189 17858 5882 1 16 . 1 1 78 78 GLU CB C 481 31.032 31.032 32.582 -1.550 17858 5883 1 16 . 1 1 78 78 GLU H H 481 8.328 8.328 8.420 -0.092 17858 5884 1 16 . 1 1 79 79 LYS N N 482 123.778 123.778 122.545 1.233 17858 5885 1 16 . 1 1 79 79 LYS HA H 482 4.166 4.166 4.682 -0.516 17858 5886 1 16 . 1 1 79 79 LYS CA C 482 56.581 56.581 56.347 0.234 17858 5887 1 16 . 1 1 79 79 LYS CB C 482 33.279 33.279 33.811 -0.532 17858 5888 1 16 . 1 1 79 79 LYS H H 482 8.332 8.332 8.501 -0.169 17858 5889 1 17 . 1 1 2 2 PRO HA H 405 4.356 4.356 4.518 -0.162 17858 5890 1 17 . 1 1 2 2 PRO CA C 405 63.329 63.329 62.680 0.649 17858 5891 1 17 . 1 1 2 2 PRO CB C 405 32.603 32.603 32.692 -0.089 17858 5892 1 17 . 1 1 3 3 LEU N N 406 122.497 122.497 121.824 0.673 17858 5893 1 17 . 1 1 3 3 LEU HA H 406 4.231 4.231 4.547 -0.316 17858 5894 1 17 . 1 1 3 3 LEU CA C 406 55.838 55.838 55.356 0.482 17858 5895 1 17 . 1 1 3 3 LEU CB C 406 42.529 42.529 41.925 0.604 17858 5896 1 17 . 1 1 3 3 LEU H H 406 8.571 8.571 8.527 0.044 17858 5897 1 17 . 1 1 4 4 GLY N N 407 110.132 110.132 111.512 -1.380 17858 5898 1 17 . 1 1 4 4 GLY CA C 407 45.746 45.746 44.911 0.835 17858 5899 1 17 . 1 1 4 4 GLY H H 407 8.504 8.504 8.188 0.316 17858 5900 1 17 . 1 1 5 5 SER N N 408 114.820 114.820 119.386 -4.566 17858 5901 1 17 . 1 1 5 5 SER HA H 408 4.321 4.321 4.675 -0.354 17858 5902 1 17 . 1 1 5 5 SER CA C 408 58.629 58.629 58.038 0.591 17858 5903 1 17 . 1 1 5 5 SER CB C 408 64.171 64.171 63.436 0.735 17858 5904 1 17 . 1 1 5 5 SER H H 408 8.087 8.087 8.511 -0.424 17858 5905 1 17 . 1 1 6 6 GLU N N 409 122.539 122.539 125.185 -2.646 17858 5906 1 17 . 1 1 6 6 GLU HA H 409 4.137 4.137 4.598 -0.461 17858 5907 1 17 . 1 1 6 6 GLU CA C 409 57.076 57.076 55.940 1.136 17858 5908 1 17 . 1 1 6 6 GLU CB C 409 30.420 30.420 30.384 0.036 17858 5909 1 17 . 1 1 6 6 GLU H H 409 8.483 8.483 8.282 0.201 17858 5910 1 17 . 1 1 7 7 LYS N N 410 120.141 120.141 120.033 0.108 17858 5911 1 17 . 1 1 7 7 LYS HA H 410 4.332 4.332 4.545 -0.213 17858 5912 1 17 . 1 1 7 7 LYS CA C 410 56.279 56.279 56.191 0.089 17858 5913 1 17 . 1 1 7 7 LYS CB C 410 33.875 33.875 32.330 1.545 17858 5914 1 17 . 1 1 7 7 LYS H H 410 7.997 7.997 8.477 -0.480 17858 5915 1 17 . 1 1 8 8 SER N N 411 114.672 114.672 115.694 -1.022 17858 5916 1 17 . 1 1 8 8 SER HA H 411 4.542 4.542 4.739 -0.197 17858 5917 1 17 . 1 1 8 8 SER CA C 411 56.092 56.092 56.559 -0.467 17858 5918 1 17 . 1 1 8 8 SER CB C 411 65.009 65.009 64.525 0.485 17858 5919 1 17 . 1 1 8 8 SER H H 411 8.214 8.214 7.757 0.457 17858 5920 1 17 . 1 1 9 9 LEU N N 412 122.535 122.535 121.971 0.564 17858 5921 1 17 . 1 1 9 9 LEU HA H 412 3.938 3.938 4.461 -0.523 17858 5922 1 17 . 1 1 9 9 LEU CA C 412 55.495 55.495 54.034 1.461 17858 5923 1 17 . 1 1 9 9 LEU CB C 412 42.864 42.864 41.791 1.073 17858 5924 1 17 . 1 1 9 9 LEU H H 412 8.487 8.487 8.587 -0.100 17858 5925 1 17 . 1 1 10 10 GLU N N 413 121.582 121.582 119.649 1.933 17858 5926 1 17 . 1 1 10 10 GLU HA H 413 3.804 3.804 4.204 -0.400 17858 5927 1 17 . 1 1 10 10 GLU CA C 413 57.749 57.749 55.774 1.975 17858 5928 1 17 . 1 1 10 10 GLU CB C 413 29.807 29.807 30.873 -1.066 17858 5929 1 17 . 1 1 10 10 GLU H H 413 8.483 8.483 8.154 0.329 17858 5930 1 17 . 1 1 11 11 GLN N N 414 124.052 124.052 119.188 4.864 17858 5931 1 17 . 1 1 11 11 GLN HA H 414 3.768 3.768 4.647 -0.879 17858 5932 1 17 . 1 1 11 11 GLN CA C 414 55.415 55.415 54.583 0.832 17858 5933 1 17 . 1 1 11 11 GLN CB C 414 29.918 29.918 31.418 -1.500 17858 5934 1 17 . 1 1 11 11 GLN H H 414 8.475 8.475 8.274 0.201 17858 5935 1 17 . 1 1 12 12 CYS N N 415 129.067 129.067 124.712 4.355 17858 5936 1 17 . 1 1 12 12 CYS HA H 415 3.668 3.668 4.675 -1.007 17858 5937 1 17 . 1 1 12 12 CYS CA C 415 61.173 61.173 60.420 0.753 17858 5938 1 17 . 1 1 12 12 CYS CB C 415 30.342 30.342 28.659 1.683 17858 5939 1 17 . 1 1 12 12 CYS H H 415 9.290 9.290 8.554 0.736 17858 5940 1 17 . 1 1 13 13 LYS N N 416 129.282 129.282 122.389 6.893 17858 5941 1 17 . 1 1 13 13 LYS HA H 416 3.814 3.814 4.907 -1.093 17858 5942 1 17 . 1 1 13 13 LYS CA C 416 58.772 58.772 56.737 2.034 17858 5943 1 17 . 1 1 13 13 LYS CB C 416 32.186 32.186 32.429 -0.243 17858 5944 1 17 . 1 1 13 13 LYS H H 416 8.623 8.623 9.111 -0.488 17858 5945 1 17 . 1 1 14 14 PHE N N 417 119.338 119.338 119.052 0.286 17858 5946 1 17 . 1 1 14 14 PHE HA H 417 4.613 4.613 4.730 -0.117 17858 5947 1 17 . 1 1 14 14 PHE CA C 417 58.971 58.971 58.617 0.354 17858 5948 1 17 . 1 1 14 14 PHE CB C 417 39.352 39.352 40.742 -1.390 17858 5949 1 17 . 1 1 14 14 PHE H H 417 8.603 8.603 7.893 0.710 17858 5950 1 17 . 1 1 15 15 GLY N N 418 107.206 107.206 108.207 -1.001 17858 5951 1 17 . 1 1 15 15 GLY CA C 418 47.937 47.937 46.486 1.451 17858 5952 1 17 . 1 1 15 15 GLY H H 418 7.472 7.472 8.583 -1.111 17858 5953 1 17 . 1 1 16 16 THR N N 419 117.234 117.234 117.596 -0.362 17858 5954 1 17 . 1 1 16 16 THR HA H 419 4.002 4.002 4.347 -0.345 17858 5955 1 17 . 1 1 16 16 THR CA C 419 63.842 63.842 63.001 0.841 17858 5956 1 17 . 1 1 16 16 THR CB C 419 68.778 68.778 68.950 -0.172 17858 5957 1 17 . 1 1 16 16 THR H H 419 8.740 8.740 8.652 0.088 17858 5958 1 17 . 1 1 17 17 HIS N N 420 118.028 118.028 121.494 -3.466 17858 5959 1 17 . 1 1 17 17 HIS HA H 420 4.581 4.581 4.876 -0.295 17858 5960 1 17 . 1 1 17 17 HIS CA C 420 55.612 55.612 55.559 0.053 17858 5961 1 17 . 1 1 17 17 HIS CB C 420 29.751 29.751 30.041 -0.290 17858 5962 1 17 . 1 1 17 17 HIS H H 420 8.059 8.059 7.707 0.352 17858 5963 1 17 . 1 1 18 18 CYS N N 421 122.824 122.824 120.481 2.343 17858 5964 1 17 . 1 1 18 18 CYS HA H 421 3.849 3.849 4.343 -0.494 17858 5965 1 17 . 1 1 18 18 CYS CA C 421 61.733 61.733 59.823 1.910 17858 5966 1 17 . 1 1 18 18 CYS CB C 421 30.570 30.570 26.715 3.855 17858 5967 1 17 . 1 1 18 18 CYS H H 421 7.288 7.288 8.359 -1.071 17858 5968 1 17 . 1 1 19 19 THR N N 422 119.018 119.018 121.626 -2.608 17858 5969 1 17 . 1 1 19 19 THR HA H 422 4.348 4.348 4.369 -0.021 17858 5970 1 17 . 1 1 19 19 THR CA C 422 61.292 61.292 61.170 0.122 17858 5971 1 17 . 1 1 19 19 THR CB C 422 69.612 69.612 68.229 1.383 17858 5972 1 17 . 1 1 19 19 THR H H 422 8.435 8.435 8.201 0.234 17858 5973 1 17 . 1 1 20 20 ASN N N 423 121.923 121.923 120.192 1.731 17858 5974 1 17 . 1 1 20 20 ASN HA H 423 4.690 4.690 4.785 -0.095 17858 5975 1 17 . 1 1 20 20 ASN CA C 423 52.203 52.203 52.577 -0.374 17858 5976 1 17 . 1 1 20 20 ASN CB C 423 38.747 38.747 40.663 -1.916 17858 5977 1 17 . 1 1 20 20 ASN H H 423 7.924 7.924 7.805 0.119 17858 5978 1 17 . 1 1 21 21 LYS N N 424 127.775 127.775 123.377 4.398 17858 5979 1 17 . 1 1 21 21 LYS HA H 424 3.922 3.922 4.035 -0.113 17858 5980 1 17 . 1 1 21 21 LYS CA C 424 58.647 58.647 57.862 0.785 17858 5981 1 17 . 1 1 21 21 LYS CB C 424 32.289 32.289 32.957 -0.668 17858 5982 1 17 . 1 1 21 21 LYS H H 424 9.094 9.094 8.670 0.424 17858 5983 1 17 . 1 1 22 22 ARG N N 425 116.206 116.206 117.270 -1.064 17858 5984 1 17 . 1 1 22 22 ARG HA H 425 4.270 4.270 4.436 -0.166 17858 5985 1 17 . 1 1 22 22 ARG CA C 425 54.832 54.832 54.982 -0.150 17858 5986 1 17 . 1 1 22 22 ARG CB C 425 29.549 29.549 29.712 -0.163 17858 5987 1 17 . 1 1 22 22 ARG H H 425 7.825 7.825 7.798 0.027 17858 5988 1 17 . 1 1 23 23 CYS N N 426 123.387 123.387 121.614 1.773 17858 5989 1 17 . 1 1 23 23 CYS HA H 426 3.867 3.867 4.204 -0.337 17858 5990 1 17 . 1 1 23 23 CYS CA C 426 62.205 62.205 59.957 2.248 17858 5991 1 17 . 1 1 23 23 CYS CB C 426 30.940 30.940 28.395 2.545 17858 5992 1 17 . 1 1 23 23 CYS H H 426 7.273 7.273 8.211 -0.938 17858 5993 1 17 . 1 1 24 24 LYS N N 427 128.443 128.443 123.979 4.464 17858 5994 1 17 . 1 1 24 24 LYS HA H 427 4.299 4.299 4.500 -0.201 17858 5995 1 17 . 1 1 24 24 LYS CA C 427 57.047 57.047 57.804 -0.757 17858 5996 1 17 . 1 1 24 24 LYS CB C 427 33.275 33.275 32.470 0.805 17858 5997 1 17 . 1 1 24 24 LYS H H 427 8.525 8.525 8.018 0.507 17858 5998 1 17 . 1 1 25 25 TYR N N 428 123.059 123.059 117.104 5.955 17858 5999 1 17 . 1 1 25 25 TYR HA H 428 4.569 4.569 4.543 0.026 17858 6000 1 17 . 1 1 25 25 TYR CA C 428 58.470 58.470 55.540 2.930 17858 6001 1 17 . 1 1 25 25 TYR CB C 428 39.830 39.830 39.267 0.563 17858 6002 1 17 . 1 1 25 25 TYR H H 428 8.066 8.066 6.883 1.183 17858 6003 1 17 . 1 1 26 26 ARG N N 429 116.840 116.840 116.549 0.291 17858 6004 1 17 . 1 1 26 26 ARG HA H 429 4.429 4.429 4.591 -0.162 17858 6005 1 17 . 1 1 26 26 ARG CA C 429 58.979 58.979 54.789 4.190 17858 6006 1 17 . 1 1 26 26 ARG CB C 429 33.073 33.073 32.219 0.854 17858 6007 1 17 . 1 1 26 26 ARG H H 429 8.275 8.275 8.428 -0.153 17858 6008 1 17 . 1 1 27 27 HIS N N 430 117.522 117.522 117.543 -0.021 17858 6009 1 17 . 1 1 27 27 HIS HA H 430 4.553 4.553 4.892 -0.339 17858 6010 1 17 . 1 1 27 27 HIS CA C 430 56.912 56.912 55.272 1.640 17858 6011 1 17 . 1 1 27 27 HIS CB C 430 30.715 30.715 34.202 -3.487 17858 6012 1 17 . 1 1 27 27 HIS H H 430 8.154 8.154 8.862 -0.708 17858 6013 1 17 . 1 1 28 28 ALA N N 431 126.087 126.087 124.787 1.300 17858 6014 1 17 . 1 1 28 28 ALA HA H 431 4.106 4.106 4.545 -0.439 17858 6015 1 17 . 1 1 28 28 ALA CA C 431 51.833 51.833 51.744 0.089 17858 6016 1 17 . 1 1 28 28 ALA CB C 431 18.291 18.291 19.735 -1.444 17858 6017 1 17 . 1 1 28 28 ALA H H 431 8.061 8.061 8.710 -0.649 17858 6018 1 17 . 1 1 29 29 ARG N N 432 121.538 121.538 122.927 -1.389 17858 6019 1 17 . 1 1 29 29 ARG HA H 432 4.280 4.280 4.637 -0.357 17858 6020 1 17 . 1 1 29 29 ARG CA C 432 55.492 55.492 56.178 -0.686 17858 6021 1 17 . 1 1 29 29 ARG CB C 432 31.353 31.353 30.485 0.868 17858 6022 1 17 . 1 1 29 29 ARG H H 432 8.630 8.630 9.008 -0.378 17858 6023 1 17 . 1 1 30 30 SER N N 433 112.439 112.439 114.209 -1.770 17858 6024 1 17 . 1 1 30 30 SER HA H 433 4.463 4.463 4.517 -0.054 17858 6025 1 17 . 1 1 30 30 SER CA C 433 56.566 56.566 57.431 -0.865 17858 6026 1 17 . 1 1 30 30 SER CB C 433 64.803 64.803 64.695 0.108 17858 6027 1 17 . 1 1 30 30 SER H H 433 7.450 7.450 7.847 -0.397 17858 6028 1 17 . 1 1 31 31 HIS N N 434 121.494 121.494 118.062 3.432 17858 6029 1 17 . 1 1 31 31 HIS HA H 434 4.279 4.279 4.342 -0.063 17858 6030 1 17 . 1 1 31 31 HIS CA C 434 56.955 56.955 55.145 1.810 17858 6031 1 17 . 1 1 31 31 HIS CB C 434 29.834 29.834 28.887 0.947 17858 6032 1 17 . 1 1 31 31 HIS H H 434 8.132 8.132 8.335 -0.203 17858 6033 1 17 . 1 1 32 32 ILE N N 435 123.851 123.851 123.494 0.357 17858 6034 1 17 . 1 1 32 32 ILE HA H 435 3.506 3.506 3.865 -0.359 17858 6035 1 17 . 1 1 32 32 ILE CA C 435 61.345 61.345 59.221 2.124 17858 6036 1 17 . 1 1 32 32 ILE CB C 435 37.765 37.765 36.371 1.393 17858 6037 1 17 . 1 1 32 32 ILE H H 435 7.858 7.858 7.954 -0.096 17858 6038 1 17 . 1 1 33 33 MET N N 436 125.294 125.294 124.476 0.818 17858 6039 1 17 . 1 1 33 33 MET HA H 436 4.050 4.050 4.628 -0.578 17858 6040 1 17 . 1 1 33 33 MET CA C 436 54.733 54.733 56.178 -1.445 17858 6041 1 17 . 1 1 33 33 MET CB C 436 31.934 31.934 33.755 -1.821 17858 6042 1 17 . 1 1 33 33 MET H H 436 8.317 8.317 8.328 -0.011 17858 6043 1 17 . 1 1 34 34 CYS N N 437 127.958 127.958 119.580 8.378 17858 6044 1 17 . 1 1 34 34 CYS HA H 437 3.389 3.389 5.070 -1.681 17858 6045 1 17 . 1 1 34 34 CYS CA C 437 61.544 61.544 58.441 3.103 17858 6046 1 17 . 1 1 34 34 CYS CB C 437 31.325 31.325 29.231 2.094 17858 6047 1 17 . 1 1 34 34 CYS H H 437 9.255 9.255 8.395 0.860 17858 6048 1 17 . 1 1 35 35 ARG N N 438 131.582 131.582 126.771 4.811 17858 6049 1 17 . 1 1 35 35 ARG HA H 438 3.887 3.887 4.135 -0.248 17858 6050 1 17 . 1 1 35 35 ARG CA C 438 59.466 59.466 58.898 0.568 17858 6051 1 17 . 1 1 35 35 ARG CB C 438 30.251 30.251 30.082 0.169 17858 6052 1 17 . 1 1 35 35 ARG H H 438 8.645 8.645 9.146 -0.501 17858 6053 1 17 . 1 1 36 36 GLU N N 439 117.530 117.530 118.387 -0.857 17858 6054 1 17 . 1 1 36 36 GLU HA H 439 4.284 4.284 4.316 -0.032 17858 6055 1 17 . 1 1 36 36 GLU CA C 439 57.440 57.440 55.797 1.643 17858 6056 1 17 . 1 1 36 36 GLU CB C 439 30.295 30.295 29.559 0.736 17858 6057 1 17 . 1 1 36 36 GLU H H 439 8.302 8.302 8.218 0.084 17858 6058 1 17 . 1 1 37 37 GLY N N 440 107.589 107.589 108.811 -1.222 17858 6059 1 17 . 1 1 37 37 GLY CA C 440 47.353 47.353 45.806 1.547 17858 6060 1 17 . 1 1 37 37 GLY H H 440 7.518 7.518 8.152 -0.634 17858 6061 1 17 . 1 1 38 38 ALA N N 441 126.673 126.673 125.732 0.941 17858 6062 1 17 . 1 1 38 38 ALA HA H 441 4.180 4.180 4.233 -0.053 17858 6063 1 17 . 1 1 38 38 ALA CA C 441 53.717 53.717 53.107 0.610 17858 6064 1 17 . 1 1 38 38 ALA CB C 441 19.127 19.127 18.611 0.516 17858 6065 1 17 . 1 1 38 38 ALA H H 441 9.114 9.114 8.582 0.532 17858 6066 1 17 . 1 1 39 39 ASN N N 442 113.951 113.951 115.686 -1.735 17858 6067 1 17 . 1 1 39 39 ASN HA H 442 4.655 4.655 4.803 -0.148 17858 6068 1 17 . 1 1 39 39 ASN CA C 442 52.940 52.940 53.103 -0.163 17858 6069 1 17 . 1 1 39 39 ASN CB C 442 39.264 39.264 39.075 0.189 17858 6070 1 17 . 1 1 39 39 ASN H H 442 8.072 8.072 7.729 0.343 17858 6071 1 17 . 1 1 40 40 CYS N N 443 122.245 122.245 119.483 2.762 17858 6072 1 17 . 1 1 40 40 CYS HA H 443 4.070 4.070 4.211 -0.141 17858 6073 1 17 . 1 1 40 40 CYS CA C 443 60.661 60.661 60.428 0.233 17858 6074 1 17 . 1 1 40 40 CYS CB C 443 31.037 31.037 28.030 3.007 17858 6075 1 17 . 1 1 40 40 CYS H H 443 7.237 7.237 7.272 -0.035 17858 6076 1 17 . 1 1 41 41 THR N N 444 120.684 120.684 116.506 4.178 17858 6077 1 17 . 1 1 41 41 THR HA H 444 4.411 4.411 4.368 0.043 17858 6078 1 17 . 1 1 41 41 THR CA C 444 61.110 61.110 61.614 -0.504 17858 6079 1 17 . 1 1 41 41 THR CB C 444 68.937 68.937 68.641 0.296 17858 6080 1 17 . 1 1 41 41 THR H H 444 9.033 9.033 8.324 0.709 17858 6081 1 17 . 1 1 42 42 ARG N N 445 123.977 123.977 121.286 2.691 17858 6082 1 17 . 1 1 42 42 ARG HA H 445 4.329 4.329 4.489 -0.160 17858 6083 1 17 . 1 1 42 42 ARG CA C 445 56.416 56.416 55.235 1.181 17858 6084 1 17 . 1 1 42 42 ARG CB C 445 30.604 30.604 32.777 -2.173 17858 6085 1 17 . 1 1 42 42 ARG H H 445 7.927 7.927 7.533 0.394 17858 6086 1 17 . 1 1 43 43 ILE N N 446 132.203 132.203 123.047 9.156 17858 6087 1 17 . 1 1 43 43 ILE HA H 446 3.609 3.609 4.284 -0.675 17858 6088 1 17 . 1 1 43 43 ILE CA C 446 63.023 63.023 61.523 1.500 17858 6089 1 17 . 1 1 43 43 ILE CB C 446 38.463 38.463 38.756 -0.293 17858 6090 1 17 . 1 1 43 43 ILE H H 446 9.010 9.010 8.639 0.371 17858 6091 1 17 . 1 1 44 44 ASP N N 447 116.309 116.309 118.935 -2.626 17858 6092 1 17 . 1 1 44 44 ASP HA H 447 4.555 4.555 4.792 -0.237 17858 6093 1 17 . 1 1 44 44 ASP CA C 447 52.727 52.727 53.813 -1.086 17858 6094 1 17 . 1 1 44 44 ASP CB C 447 40.177 40.177 39.897 0.280 17858 6095 1 17 . 1 1 44 44 ASP H H 447 8.191 8.191 8.151 0.040 17858 6096 1 17 . 1 1 45 45 CYS N N 448 121.173 121.173 119.580 1.593 17858 6097 1 17 . 1 1 45 45 CYS HA H 448 3.913 3.913 4.522 -0.609 17858 6098 1 17 . 1 1 45 45 CYS CA C 448 62.082 62.082 58.828 3.254 17858 6099 1 17 . 1 1 45 45 CYS CB C 448 31.510 31.510 27.576 3.934 17858 6100 1 17 . 1 1 45 45 CYS H H 448 7.113 7.113 7.874 -0.761 17858 6101 1 17 . 1 1 46 46 LEU N N 449 128.150 128.150 127.416 0.734 17858 6102 1 17 . 1 1 46 46 LEU HA H 449 4.657 4.657 4.773 -0.116 17858 6103 1 17 . 1 1 46 46 LEU CA C 449 55.144 55.144 53.832 1.312 17858 6104 1 17 . 1 1 46 46 LEU CB C 449 43.004 43.004 41.408 1.596 17858 6105 1 17 . 1 1 46 46 LEU H H 449 8.451 8.451 8.485 -0.034 17858 6106 1 17 . 1 1 47 47 PHE N N 450 120.646 120.646 120.010 0.636 17858 6107 1 17 . 1 1 47 47 PHE HA H 450 4.527 4.527 4.828 -0.301 17858 6108 1 17 . 1 1 47 47 PHE CA C 450 58.198 58.198 54.625 3.573 17858 6109 1 17 . 1 1 47 47 PHE CB C 450 39.901 39.901 40.680 -0.779 17858 6110 1 17 . 1 1 47 47 PHE H H 450 8.390 8.390 7.215 1.175 17858 6111 1 17 . 1 1 48 48 GLY N N 451 104.118 104.118 109.015 -4.897 17858 6112 1 17 . 1 1 48 48 GLY CA C 451 47.675 47.675 44.919 2.756 17858 6113 1 17 . 1 1 48 48 GLY H H 451 8.643 8.643 8.239 0.404 17858 6114 1 17 . 1 1 49 49 HIS N N 452 119.710 119.710 125.336 -5.626 17858 6115 1 17 . 1 1 49 49 HIS HA H 452 4.725 4.725 4.774 -0.049 17858 6116 1 17 . 1 1 49 49 HIS CA C 452 54.408 54.408 52.559 1.849 17858 6117 1 17 . 1 1 49 49 HIS CB C 452 29.515 29.515 31.239 -1.724 17858 6118 1 17 . 1 1 49 49 HIS H H 452 6.951 6.951 7.986 -1.035 17858 6119 1 17 . 1 1 50 50 PRO HA H 453 4.291 4.291 4.376 -0.085 17858 6120 1 17 . 1 1 50 50 PRO CA C 453 63.872 63.872 62.946 0.926 17858 6121 1 17 . 1 1 50 50 PRO CB C 453 32.724 32.724 32.654 0.070 17858 6122 1 17 . 1 1 51 51 ILE N N 454 122.942 122.942 117.697 5.245 17858 6123 1 17 . 1 1 51 51 ILE HA H 454 3.787 3.787 4.209 -0.422 17858 6124 1 17 . 1 1 51 51 ILE CA C 454 61.010 61.010 60.359 0.651 17858 6125 1 17 . 1 1 51 51 ILE CB C 454 40.204 40.204 42.745 -2.541 17858 6126 1 17 . 1 1 51 51 ILE H H 454 8.189 8.189 7.927 0.262 17858 6127 1 17 . 1 1 52 52 ASN N N 455 128.496 128.496 123.583 4.913 17858 6128 1 17 . 1 1 52 52 ASN HA H 455 4.641 4.641 4.717 -0.076 17858 6129 1 17 . 1 1 52 52 ASN CA C 455 52.832 52.832 53.596 -0.764 17858 6130 1 17 . 1 1 52 52 ASN CB C 455 36.969 36.969 37.481 -0.512 17858 6131 1 17 . 1 1 52 52 ASN H H 455 8.791 8.791 8.567 0.224 17858 6132 1 17 . 1 1 53 53 GLU N N 456 120.059 120.059 121.845 -1.786 17858 6133 1 17 . 1 1 53 53 GLU HA H 456 4.318 4.318 4.494 -0.176 17858 6134 1 17 . 1 1 53 53 GLU CA C 456 55.588 55.588 55.025 0.563 17858 6135 1 17 . 1 1 53 53 GLU CB C 456 33.826 33.826 33.924 -0.098 17858 6136 1 17 . 1 1 53 53 GLU H H 456 8.177 8.177 7.928 0.249 17858 6137 1 17 . 1 1 54 54 ASP N N 457 124.404 124.404 122.989 1.415 17858 6138 1 17 . 1 1 54 54 ASP HA H 457 4.446 4.446 5.041 -0.595 17858 6139 1 17 . 1 1 54 54 ASP CA C 457 55.594 55.594 52.606 2.987 17858 6140 1 17 . 1 1 54 54 ASP CB C 457 41.033 41.033 41.481 -0.448 17858 6141 1 17 . 1 1 54 54 ASP H H 457 8.923 8.923 8.386 0.537 17858 6142 1 17 . 1 1 55 55 CYS N N 458 125.765 125.765 124.698 1.067 17858 6143 1 17 . 1 1 55 55 CYS HA H 458 3.360 3.360 4.195 -0.835 17858 6144 1 17 . 1 1 55 55 CYS CA C 458 61.284 61.284 60.127 1.157 17858 6145 1 17 . 1 1 55 55 CYS CB C 458 31.125 31.125 28.912 2.213 17858 6146 1 17 . 1 1 55 55 CYS H H 458 9.113 9.113 8.204 0.909 17858 6147 1 17 . 1 1 56 56 ARG N N 459 130.790 130.790 123.371 7.419 17858 6148 1 17 . 1 1 56 56 ARG HA H 459 3.875 3.875 4.203 -0.328 17858 6149 1 17 . 1 1 56 56 ARG CA C 459 58.610 58.610 57.952 0.658 17858 6150 1 17 . 1 1 56 56 ARG CB C 459 29.566 29.566 29.878 -0.312 17858 6151 1 17 . 1 1 56 56 ARG H H 459 8.601 8.601 8.689 -0.088 17858 6152 1 17 . 1 1 57 57 PHE N N 460 119.175 119.175 118.846 0.329 17858 6153 1 17 . 1 1 57 57 PHE HA H 460 4.560 4.560 4.400 0.160 17858 6154 1 17 . 1 1 57 57 PHE CA C 460 58.367 58.367 59.164 -0.797 17858 6155 1 17 . 1 1 57 57 PHE CB C 460 39.049 39.049 40.132 -1.083 17858 6156 1 17 . 1 1 57 57 PHE H H 460 8.589 8.589 7.820 0.769 17858 6157 1 17 . 1 1 58 58 GLY N N 461 107.317 107.317 106.156 1.161 17858 6158 1 17 . 1 1 58 58 GLY CA C 461 47.253 47.253 45.316 1.937 17858 6159 1 17 . 1 1 58 58 GLY H H 461 7.386 7.386 8.535 -1.149 17858 6160 1 17 . 1 1 59 59 VAL N N 462 120.829 120.829 118.375 2.454 17858 6161 1 17 . 1 1 59 59 VAL HA H 462 3.674 3.674 4.331 -0.657 17858 6162 1 17 . 1 1 59 59 VAL CA C 462 64.142 64.142 62.254 1.888 17858 6163 1 17 . 1 1 59 59 VAL CB C 462 32.275 32.275 31.504 0.771 17858 6164 1 17 . 1 1 59 59 VAL H H 462 8.881 8.881 8.380 0.501 17858 6165 1 17 . 1 1 60 60 ASN N N 463 114.923 114.923 118.319 -3.396 17858 6166 1 17 . 1 1 60 60 ASN HA H 463 4.667 4.667 4.751 -0.084 17858 6167 1 17 . 1 1 60 60 ASN CA C 463 53.316 53.316 53.663 -0.347 17858 6168 1 17 . 1 1 60 60 ASN CB C 463 39.355 39.355 38.983 0.372 17858 6169 1 17 . 1 1 60 60 ASN H H 463 7.819 7.819 8.333 -0.514 17858 6170 1 17 . 1 1 61 61 CYS N N 464 121.670 121.670 121.174 0.496 17858 6171 1 17 . 1 1 61 61 CYS HA H 464 3.770 3.770 3.780 -0.010 17858 6172 1 17 . 1 1 61 61 CYS CA C 464 61.725 61.725 60.011 1.714 17858 6173 1 17 . 1 1 61 61 CYS CB C 464 30.891 30.891 26.640 4.251 17858 6174 1 17 . 1 1 61 61 CYS H H 464 7.049 7.049 8.174 -1.125 17858 6175 1 17 . 1 1 62 62 LYS N N 465 131.072 131.072 126.580 4.492 17858 6176 1 17 . 1 1 62 62 LYS HA H 465 4.312 4.312 4.328 -0.016 17858 6177 1 17 . 1 1 62 62 LYS CA C 465 55.230 55.230 56.023 -0.793 17858 6178 1 17 . 1 1 62 62 LYS CB C 465 32.794 32.794 32.308 0.486 17858 6179 1 17 . 1 1 62 62 LYS H H 465 8.836 8.836 8.234 0.602 17858 6180 1 17 . 1 1 63 63 ASN N N 466 119.130 119.130 117.479 1.651 17858 6181 1 17 . 1 1 63 63 ASN HA H 466 4.596 4.596 4.530 0.066 17858 6182 1 17 . 1 1 63 63 ASN CA C 466 52.210 52.210 51.798 0.412 17858 6183 1 17 . 1 1 63 63 ASN CB C 466 38.827 38.827 39.691 -0.864 17858 6184 1 17 . 1 1 63 63 ASN H H 466 7.660 7.660 7.572 0.088 17858 6185 1 17 . 1 1 64 64 ILE N N 467 125.111 125.111 118.408 6.703 17858 6186 1 17 . 1 1 64 64 ILE HA H 467 3.539 3.539 4.272 -0.733 17858 6187 1 17 . 1 1 64 64 ILE CA C 467 64.493 64.493 60.458 4.035 17858 6188 1 17 . 1 1 64 64 ILE CB C 467 38.068 38.068 37.461 0.607 17858 6189 1 17 . 1 1 64 64 ILE H H 467 8.475 8.475 7.837 0.638 17858 6190 1 17 . 1 1 65 65 TYR N N 468 118.920 118.920 115.320 3.600 17858 6191 1 17 . 1 1 65 65 TYR HA H 468 4.538 4.538 4.736 -0.198 17858 6192 1 17 . 1 1 65 65 TYR CA C 468 57.003 57.003 54.159 2.844 17858 6193 1 17 . 1 1 65 65 TYR CB C 468 37.716 37.716 37.298 0.418 17858 6194 1 17 . 1 1 65 65 TYR H H 468 7.462 7.462 6.981 0.481 17858 6195 1 17 . 1 1 66 66 CYS N N 469 122.658 122.658 121.128 1.530 17858 6196 1 17 . 1 1 66 66 CYS HA H 469 4.009 4.009 4.540 -0.531 17858 6197 1 17 . 1 1 66 66 CYS CA C 469 62.039 62.039 58.099 3.940 17858 6198 1 17 . 1 1 66 66 CYS CB C 469 31.455 31.455 28.240 3.215 17858 6199 1 17 . 1 1 66 66 CYS H H 469 7.305 7.305 8.211 -0.906 17858 6200 1 17 . 1 1 67 67 LEU N N 470 130.238 130.238 127.123 3.115 17858 6201 1 17 . 1 1 67 67 LEU HA H 470 4.353 4.353 4.427 -0.074 17858 6202 1 17 . 1 1 67 67 LEU CA C 470 55.947 55.947 54.230 1.718 17858 6203 1 17 . 1 1 67 67 LEU CB C 470 42.125 42.125 41.280 0.845 17858 6204 1 17 . 1 1 67 67 LEU H H 470 9.002 9.002 8.202 0.800 17858 6205 1 17 . 1 1 68 68 PHE N N 471 120.946 120.946 117.894 3.052 17858 6206 1 17 . 1 1 68 68 PHE HA H 471 4.576 4.576 4.524 0.052 17858 6207 1 17 . 1 1 68 68 PHE CA C 471 59.242 59.242 55.560 3.682 17858 6208 1 17 . 1 1 68 68 PHE CB C 471 39.865 39.865 40.678 -0.813 17858 6209 1 17 . 1 1 68 68 PHE H H 471 8.519 8.519 7.023 1.496 17858 6210 1 17 . 1 1 69 69 ARG N N 472 116.975 116.975 120.181 -3.206 17858 6211 1 17 . 1 1 69 69 ARG HA H 472 4.331 4.331 4.342 -0.011 17858 6212 1 17 . 1 1 69 69 ARG CA C 472 56.933 56.933 54.501 2.432 17858 6213 1 17 . 1 1 69 69 ARG CB C 472 31.822 31.822 31.472 0.350 17858 6214 1 17 . 1 1 69 69 ARG H H 472 8.417 8.417 8.829 -0.412 17858 6215 1 17 . 1 1 70 70 HIS N N 473 118.809 118.809 122.096 -3.287 17858 6216 1 17 . 1 1 70 70 HIS HA H 473 4.991 4.991 4.859 0.132 17858 6217 1 17 . 1 1 70 70 HIS CA C 473 55.311 55.311 53.704 1.607 17858 6218 1 17 . 1 1 70 70 HIS CB C 473 30.613 30.613 30.816 -0.203 17858 6219 1 17 . 1 1 70 70 HIS H H 473 8.499 8.499 8.411 0.088 17858 6220 1 17 . 1 1 71 71 PRO HA H 474 4.742 4.742 4.576 0.166 17858 6221 1 17 . 1 1 71 71 PRO CA C 474 61.250 61.250 62.061 -0.811 17858 6222 1 17 . 1 1 71 71 PRO CB C 474 30.743 30.743 31.186 -0.443 17858 6223 1 17 . 1 1 72 72 PRO HA H 475 4.279 4.279 4.389 -0.110 17858 6224 1 17 . 1 1 72 72 PRO CA C 475 63.941 63.941 63.428 0.513 17858 6225 1 17 . 1 1 72 72 PRO CB C 475 32.122 32.122 31.511 0.611 17858 6226 1 17 . 1 1 73 73 GLY N N 476 106.525 106.525 111.743 -5.218 17858 6227 1 17 . 1 1 73 73 GLY CA C 476 45.142 45.142 44.816 0.326 17858 6228 1 17 . 1 1 73 73 GLY H H 476 8.359 8.359 8.804 -0.445 17858 6229 1 17 . 1 1 74 74 ARG N N 477 121.516 121.516 119.163 2.353 17858 6230 1 17 . 1 1 74 74 ARG HA H 477 4.223 4.223 4.464 -0.241 17858 6231 1 17 . 1 1 74 74 ARG CA C 477 57.021 57.021 55.591 1.430 17858 6232 1 17 . 1 1 74 74 ARG CB C 477 31.388 31.388 31.584 -0.196 17858 6233 1 17 . 1 1 74 74 ARG H H 477 7.255 7.255 7.751 -0.496 17858 6234 1 17 . 1 1 75 75 VAL N N 478 128.411 128.411 117.115 11.296 17858 6235 1 17 . 1 1 75 75 VAL HA H 478 4.054 4.054 4.257 -0.203 17858 6236 1 17 . 1 1 75 75 VAL CA C 478 61.925 61.925 61.912 0.013 17858 6237 1 17 . 1 1 75 75 VAL CB C 478 33.788 33.788 33.749 0.039 17858 6238 1 17 . 1 1 75 75 VAL H H 478 8.569 8.569 8.321 0.248 17858 6239 1 17 . 1 1 76 76 LEU N N 479 127.195 127.195 122.153 5.042 17858 6240 1 17 . 1 1 76 76 LEU HA H 479 4.462 4.462 4.747 -0.285 17858 6241 1 17 . 1 1 76 76 LEU CA C 479 52.474 52.474 52.546 -0.072 17858 6242 1 17 . 1 1 76 76 LEU CB C 479 42.068 42.068 43.931 -1.863 17858 6243 1 17 . 1 1 76 76 LEU H H 479 8.338 8.338 8.074 0.264 17858 6244 1 17 . 1 1 77 77 PRO HA H 480 4.251 4.251 4.492 -0.241 17858 6245 1 17 . 1 1 77 77 PRO CA C 480 63.072 63.072 62.788 0.284 17858 6246 1 17 . 1 1 77 77 PRO CB C 480 32.313 32.313 32.176 0.137 17858 6247 1 17 . 1 1 78 78 GLU N N 481 120.828 120.828 122.036 -1.208 17858 6248 1 17 . 1 1 78 78 GLU HA H 481 4.089 4.089 4.442 -0.353 17858 6249 1 17 . 1 1 78 78 GLU CA C 481 56.521 56.521 56.426 0.095 17858 6250 1 17 . 1 1 78 78 GLU CB C 481 31.032 31.032 30.702 0.330 17858 6251 1 17 . 1 1 78 78 GLU H H 481 8.328 8.328 8.440 -0.112 17858 6252 1 17 . 1 1 79 79 LYS N N 482 123.778 123.778 125.636 -1.858 17858 6253 1 17 . 1 1 79 79 LYS HA H 482 4.166 4.166 4.571 -0.405 17858 6254 1 17 . 1 1 79 79 LYS CA C 482 56.581 56.581 56.639 -0.058 17858 6255 1 17 . 1 1 79 79 LYS CB C 482 33.279 33.279 32.452 0.827 17858 6256 1 17 . 1 1 79 79 LYS H H 482 8.332 8.332 8.596 -0.264 17858 6257 1 18 . 1 1 2 2 PRO HA H 405 4.356 4.356 4.676 -0.320 17858 6258 1 18 . 1 1 2 2 PRO CA C 405 63.329 63.329 63.217 0.112 17858 6259 1 18 . 1 1 2 2 PRO CB C 405 32.603 32.603 31.377 1.226 17858 6260 1 18 . 1 1 3 3 LEU N N 406 122.497 122.497 123.947 -1.450 17858 6261 1 18 . 1 1 3 3 LEU HA H 406 4.231 4.231 4.557 -0.326 17858 6262 1 18 . 1 1 3 3 LEU CA C 406 55.838 55.838 54.292 1.546 17858 6263 1 18 . 1 1 3 3 LEU CB C 406 42.529 42.529 43.124 -0.595 17858 6264 1 18 . 1 1 3 3 LEU H H 406 8.571 8.571 8.351 0.221 17858 6265 1 18 . 1 1 4 4 GLY N N 407 110.132 110.132 107.385 2.747 17858 6266 1 18 . 1 1 4 4 GLY CA C 407 45.746 45.746 45.013 0.733 17858 6267 1 18 . 1 1 4 4 GLY H H 407 8.504 8.504 7.688 0.816 17858 6268 1 18 . 1 1 5 5 SER N N 408 114.820 114.820 117.243 -2.423 17858 6269 1 18 . 1 1 5 5 SER HA H 408 4.321 4.321 4.725 -0.404 17858 6270 1 18 . 1 1 5 5 SER CA C 408 58.629 58.629 57.155 1.474 17858 6271 1 18 . 1 1 5 5 SER CB C 408 64.171 64.171 63.828 0.343 17858 6272 1 18 . 1 1 5 5 SER H H 408 8.087 8.087 8.461 -0.374 17858 6273 1 18 . 1 1 6 6 GLU N N 409 122.539 122.539 123.944 -1.405 17858 6274 1 18 . 1 1 6 6 GLU HA H 409 4.137 4.137 4.518 -0.381 17858 6275 1 18 . 1 1 6 6 GLU CA C 409 57.076 57.076 56.620 0.456 17858 6276 1 18 . 1 1 6 6 GLU CB C 409 30.420 30.420 30.084 0.336 17858 6277 1 18 . 1 1 6 6 GLU H H 409 8.483 8.483 8.583 -0.100 17858 6278 1 18 . 1 1 7 7 LYS N N 410 120.141 120.141 120.939 -0.798 17858 6279 1 18 . 1 1 7 7 LYS HA H 410 4.332 4.332 4.569 -0.237 17858 6280 1 18 . 1 1 7 7 LYS CA C 410 56.279 56.279 55.937 0.342 17858 6281 1 18 . 1 1 7 7 LYS CB C 410 33.875 33.875 32.538 1.337 17858 6282 1 18 . 1 1 7 7 LYS H H 410 7.997 7.997 8.563 -0.566 17858 6283 1 18 . 1 1 8 8 SER N N 411 114.672 114.672 116.096 -1.424 17858 6284 1 18 . 1 1 8 8 SER HA H 411 4.542 4.542 4.789 -0.247 17858 6285 1 18 . 1 1 8 8 SER CA C 411 56.092 56.092 57.152 -1.060 17858 6286 1 18 . 1 1 8 8 SER CB C 411 65.009 65.009 64.950 0.059 17858 6287 1 18 . 1 1 8 8 SER H H 411 8.214 8.214 8.045 0.169 17858 6288 1 18 . 1 1 9 9 LEU N N 412 122.535 122.535 121.509 1.026 17858 6289 1 18 . 1 1 9 9 LEU HA H 412 3.938 3.938 4.468 -0.530 17858 6290 1 18 . 1 1 9 9 LEU CA C 412 55.495 55.495 53.988 1.507 17858 6291 1 18 . 1 1 9 9 LEU CB C 412 42.864 42.864 41.951 0.913 17858 6292 1 18 . 1 1 9 9 LEU H H 412 8.487 8.487 8.553 -0.066 17858 6293 1 18 . 1 1 10 10 GLU N N 413 121.582 121.582 118.204 3.378 17858 6294 1 18 . 1 1 10 10 GLU HA H 413 3.804 3.804 3.970 -0.166 17858 6295 1 18 . 1 1 10 10 GLU CA C 413 57.749 57.749 57.645 0.104 17858 6296 1 18 . 1 1 10 10 GLU CB C 413 29.807 29.807 30.011 -0.204 17858 6297 1 18 . 1 1 10 10 GLU H H 413 8.483 8.483 7.966 0.517 17858 6298 1 18 . 1 1 11 11 GLN N N 414 124.052 124.052 117.673 6.379 17858 6299 1 18 . 1 1 11 11 GLN HA H 414 3.768 3.768 4.611 -0.843 17858 6300 1 18 . 1 1 11 11 GLN CA C 414 55.415 55.415 54.851 0.564 17858 6301 1 18 . 1 1 11 11 GLN CB C 414 29.918 29.918 31.962 -2.044 17858 6302 1 18 . 1 1 11 11 GLN H H 414 8.475 8.475 8.129 0.346 17858 6303 1 18 . 1 1 12 12 CYS N N 415 129.067 129.067 123.906 5.161 17858 6304 1 18 . 1 1 12 12 CYS HA H 415 3.668 3.668 4.662 -0.994 17858 6305 1 18 . 1 1 12 12 CYS CA C 415 61.173 61.173 60.589 0.584 17858 6306 1 18 . 1 1 12 12 CYS CB C 415 30.342 30.342 28.359 1.983 17858 6307 1 18 . 1 1 12 12 CYS H H 415 9.290 9.290 8.435 0.855 17858 6308 1 18 . 1 1 13 13 LYS N N 416 129.282 129.282 123.204 6.078 17858 6309 1 18 . 1 1 13 13 LYS HA H 416 3.814 3.814 4.892 -1.078 17858 6310 1 18 . 1 1 13 13 LYS CA C 416 58.772 58.772 56.976 1.796 17858 6311 1 18 . 1 1 13 13 LYS CB C 416 32.186 32.186 32.312 -0.126 17858 6312 1 18 . 1 1 13 13 LYS H H 416 8.623 8.623 9.167 -0.544 17858 6313 1 18 . 1 1 14 14 PHE N N 417 119.338 119.338 119.117 0.221 17858 6314 1 18 . 1 1 14 14 PHE HA H 417 4.613 4.613 4.697 -0.084 17858 6315 1 18 . 1 1 14 14 PHE CA C 417 58.971 58.971 57.925 1.046 17858 6316 1 18 . 1 1 14 14 PHE CB C 417 39.352 39.352 40.037 -0.685 17858 6317 1 18 . 1 1 14 14 PHE H H 417 8.603 8.603 7.970 0.633 17858 6318 1 18 . 1 1 15 15 GLY N N 418 107.206 107.206 108.938 -1.732 17858 6319 1 18 . 1 1 15 15 GLY CA C 418 47.937 47.937 46.255 1.682 17858 6320 1 18 . 1 1 15 15 GLY H H 418 7.472 7.472 8.443 -0.971 17858 6321 1 18 . 1 1 16 16 THR N N 419 117.234 117.234 117.147 0.087 17858 6322 1 18 . 1 1 16 16 THR HA H 419 4.002 4.002 4.500 -0.498 17858 6323 1 18 . 1 1 16 16 THR CA C 419 63.842 63.842 62.306 1.536 17858 6324 1 18 . 1 1 16 16 THR CB C 419 68.778 68.778 67.454 1.324 17858 6325 1 18 . 1 1 16 16 THR H H 419 8.740 8.740 8.522 0.218 17858 6326 1 18 . 1 1 17 17 HIS N N 420 118.028 118.028 120.716 -2.688 17858 6327 1 18 . 1 1 17 17 HIS HA H 420 4.581 4.581 4.565 0.016 17858 6328 1 18 . 1 1 17 17 HIS CA C 420 55.612 55.612 56.880 -1.268 17858 6329 1 18 . 1 1 17 17 HIS CB C 420 29.751 29.751 30.507 -0.756 17858 6330 1 18 . 1 1 17 17 HIS H H 420 8.059 8.059 7.990 0.069 17858 6331 1 18 . 1 1 18 18 CYS N N 421 122.824 122.824 121.240 1.584 17858 6332 1 18 . 1 1 18 18 CYS HA H 421 3.849 3.849 4.426 -0.577 17858 6333 1 18 . 1 1 18 18 CYS CA C 421 61.733 61.733 58.458 3.275 17858 6334 1 18 . 1 1 18 18 CYS CB C 421 30.570 30.570 27.065 3.505 17858 6335 1 18 . 1 1 18 18 CYS H H 421 7.288 7.288 8.276 -0.988 17858 6336 1 18 . 1 1 19 19 THR N N 422 119.018 119.018 120.537 -1.519 17858 6337 1 18 . 1 1 19 19 THR HA H 422 4.348 4.348 4.339 0.009 17858 6338 1 18 . 1 1 19 19 THR CA C 422 61.292 61.292 60.893 0.399 17858 6339 1 18 . 1 1 19 19 THR CB C 422 69.612 69.612 68.235 1.377 17858 6340 1 18 . 1 1 19 19 THR H H 422 8.435 8.435 8.013 0.422 17858 6341 1 18 . 1 1 20 20 ASN N N 423 121.923 121.923 120.066 1.857 17858 6342 1 18 . 1 1 20 20 ASN HA H 423 4.690 4.690 4.790 -0.100 17858 6343 1 18 . 1 1 20 20 ASN CA C 423 52.203 52.203 52.805 -0.602 17858 6344 1 18 . 1 1 20 20 ASN CB C 423 38.747 38.747 40.791 -2.044 17858 6345 1 18 . 1 1 20 20 ASN H H 423 7.924 7.924 7.709 0.215 17858 6346 1 18 . 1 1 21 21 LYS N N 424 127.775 127.775 123.755 4.020 17858 6347 1 18 . 1 1 21 21 LYS HA H 424 3.922 3.922 3.993 -0.071 17858 6348 1 18 . 1 1 21 21 LYS CA C 424 58.647 58.647 58.082 0.565 17858 6349 1 18 . 1 1 21 21 LYS CB C 424 32.289 32.289 32.843 -0.554 17858 6350 1 18 . 1 1 21 21 LYS H H 424 9.094 9.094 8.758 0.336 17858 6351 1 18 . 1 1 22 22 ARG N N 425 116.206 116.206 115.597 0.609 17858 6352 1 18 . 1 1 22 22 ARG HA H 425 4.270 4.270 4.501 -0.231 17858 6353 1 18 . 1 1 22 22 ARG CA C 425 54.832 54.832 54.651 0.181 17858 6354 1 18 . 1 1 22 22 ARG CB C 425 29.549 29.549 28.995 0.554 17858 6355 1 18 . 1 1 22 22 ARG H H 425 7.825 7.825 7.631 0.194 17858 6356 1 18 . 1 1 23 23 CYS N N 426 123.387 123.387 122.505 0.882 17858 6357 1 18 . 1 1 23 23 CYS HA H 426 3.867 3.867 4.212 -0.345 17858 6358 1 18 . 1 1 23 23 CYS CA C 426 62.205 62.205 59.591 2.614 17858 6359 1 18 . 1 1 23 23 CYS CB C 426 30.940 30.940 28.419 2.521 17858 6360 1 18 . 1 1 23 23 CYS H H 426 7.273 7.273 8.413 -1.140 17858 6361 1 18 . 1 1 24 24 LYS N N 427 128.443 128.443 124.946 3.497 17858 6362 1 18 . 1 1 24 24 LYS HA H 427 4.299 4.299 4.103 0.196 17858 6363 1 18 . 1 1 24 24 LYS CA C 427 57.047 57.047 57.328 -0.281 17858 6364 1 18 . 1 1 24 24 LYS CB C 427 33.275 33.275 32.213 1.062 17858 6365 1 18 . 1 1 24 24 LYS H H 427 8.525 8.525 7.982 0.543 17858 6366 1 18 . 1 1 25 25 TYR N N 428 123.059 123.059 116.744 6.315 17858 6367 1 18 . 1 1 25 25 TYR HA H 428 4.569 4.569 4.574 -0.005 17858 6368 1 18 . 1 1 25 25 TYR CA C 428 58.470 58.470 55.762 2.708 17858 6369 1 18 . 1 1 25 25 TYR CB C 428 39.830 39.830 39.698 0.132 17858 6370 1 18 . 1 1 25 25 TYR H H 428 8.066 8.066 6.845 1.221 17858 6371 1 18 . 1 1 26 26 ARG N N 429 116.840 116.840 117.233 -0.393 17858 6372 1 18 . 1 1 26 26 ARG HA H 429 4.429 4.429 4.649 -0.220 17858 6373 1 18 . 1 1 26 26 ARG CA C 429 58.979 58.979 54.432 4.547 17858 6374 1 18 . 1 1 26 26 ARG CB C 429 33.073 33.073 33.094 -0.021 17858 6375 1 18 . 1 1 26 26 ARG H H 429 8.275 8.275 8.222 0.053 17858 6376 1 18 . 1 1 27 27 HIS N N 430 117.522 117.522 117.515 0.007 17858 6377 1 18 . 1 1 27 27 HIS HA H 430 4.553 4.553 4.874 -0.321 17858 6378 1 18 . 1 1 27 27 HIS CA C 430 56.912 56.912 55.344 1.568 17858 6379 1 18 . 1 1 27 27 HIS CB C 430 30.715 30.715 33.868 -3.153 17858 6380 1 18 . 1 1 27 27 HIS H H 430 8.154 8.154 8.728 -0.574 17858 6381 1 18 . 1 1 28 28 ALA N N 431 126.087 126.087 125.274 0.813 17858 6382 1 18 . 1 1 28 28 ALA HA H 431 4.106 4.106 4.559 -0.453 17858 6383 1 18 . 1 1 28 28 ALA CA C 431 51.833 51.833 51.695 0.138 17858 6384 1 18 . 1 1 28 28 ALA CB C 431 18.291 18.291 19.742 -1.451 17858 6385 1 18 . 1 1 28 28 ALA H H 431 8.061 8.061 8.783 -0.722 17858 6386 1 18 . 1 1 29 29 ARG N N 432 121.538 121.538 123.648 -2.110 17858 6387 1 18 . 1 1 29 29 ARG HA H 432 4.280 4.280 4.599 -0.319 17858 6388 1 18 . 1 1 29 29 ARG CA C 432 55.492 55.492 56.265 -0.773 17858 6389 1 18 . 1 1 29 29 ARG CB C 432 31.353 31.353 30.564 0.789 17858 6390 1 18 . 1 1 29 29 ARG H H 432 8.630 8.630 8.976 -0.346 17858 6391 1 18 . 1 1 30 30 SER N N 433 112.439 112.439 113.804 -1.365 17858 6392 1 18 . 1 1 30 30 SER HA H 433 4.463 4.463 4.463 0.000 17858 6393 1 18 . 1 1 30 30 SER CA C 433 56.566 56.566 57.421 -0.855 17858 6394 1 18 . 1 1 30 30 SER CB C 433 64.803 64.803 64.369 0.434 17858 6395 1 18 . 1 1 30 30 SER H H 433 7.450 7.450 7.807 -0.357 17858 6396 1 18 . 1 1 31 31 HIS N N 434 121.494 121.494 118.029 3.465 17858 6397 1 18 . 1 1 31 31 HIS HA H 434 4.279 4.279 4.178 0.101 17858 6398 1 18 . 1 1 31 31 HIS CA C 434 56.955 56.955 55.062 1.893 17858 6399 1 18 . 1 1 31 31 HIS CB C 434 29.834 29.834 28.832 1.002 17858 6400 1 18 . 1 1 31 31 HIS H H 434 8.132 8.132 8.296 -0.164 17858 6401 1 18 . 1 1 32 32 ILE N N 435 123.851 123.851 123.470 0.381 17858 6402 1 18 . 1 1 32 32 ILE HA H 435 3.506 3.506 3.822 -0.316 17858 6403 1 18 . 1 1 32 32 ILE CA C 435 61.345 61.345 59.162 2.183 17858 6404 1 18 . 1 1 32 32 ILE CB C 435 37.765 37.765 36.079 1.686 17858 6405 1 18 . 1 1 32 32 ILE H H 435 7.858 7.858 7.915 -0.057 17858 6406 1 18 . 1 1 33 33 MET N N 436 125.294 125.294 124.397 0.897 17858 6407 1 18 . 1 1 33 33 MET HA H 436 4.050 4.050 4.575 -0.525 17858 6408 1 18 . 1 1 33 33 MET CA C 436 54.733 54.733 56.319 -1.586 17858 6409 1 18 . 1 1 33 33 MET CB C 436 31.934 31.934 33.624 -1.690 17858 6410 1 18 . 1 1 33 33 MET H H 436 8.317 8.317 8.287 0.030 17858 6411 1 18 . 1 1 34 34 CYS N N 437 127.958 127.958 119.411 8.547 17858 6412 1 18 . 1 1 34 34 CYS HA H 437 3.389 3.389 5.089 -1.700 17858 6413 1 18 . 1 1 34 34 CYS CA C 437 61.544 61.544 58.229 3.315 17858 6414 1 18 . 1 1 34 34 CYS CB C 437 31.325 31.325 29.785 1.540 17858 6415 1 18 . 1 1 34 34 CYS H H 437 9.255 9.255 8.332 0.923 17858 6416 1 18 . 1 1 35 35 ARG N N 438 131.582 131.582 127.188 4.394 17858 6417 1 18 . 1 1 35 35 ARG HA H 438 3.887 3.887 4.157 -0.270 17858 6418 1 18 . 1 1 35 35 ARG CA C 438 59.466 59.466 58.799 0.667 17858 6419 1 18 . 1 1 35 35 ARG CB C 438 30.251 30.251 30.010 0.241 17858 6420 1 18 . 1 1 35 35 ARG H H 438 8.645 8.645 9.124 -0.479 17858 6421 1 18 . 1 1 36 36 GLU N N 439 117.530 117.530 118.250 -0.720 17858 6422 1 18 . 1 1 36 36 GLU HA H 439 4.284 4.284 4.306 -0.022 17858 6423 1 18 . 1 1 36 36 GLU CA C 439 57.440 57.440 55.977 1.464 17858 6424 1 18 . 1 1 36 36 GLU CB C 439 30.295 30.295 29.733 0.562 17858 6425 1 18 . 1 1 36 36 GLU H H 439 8.302 8.302 8.292 0.010 17858 6426 1 18 . 1 1 37 37 GLY N N 440 107.589 107.589 108.696 -1.107 17858 6427 1 18 . 1 1 37 37 GLY CA C 440 47.353 47.353 45.707 1.646 17858 6428 1 18 . 1 1 37 37 GLY H H 440 7.518 7.518 8.033 -0.515 17858 6429 1 18 . 1 1 38 38 ALA N N 441 126.673 126.673 125.180 1.493 17858 6430 1 18 . 1 1 38 38 ALA HA H 441 4.180 4.180 4.197 -0.017 17858 6431 1 18 . 1 1 38 38 ALA CA C 441 53.717 53.717 53.109 0.608 17858 6432 1 18 . 1 1 38 38 ALA CB C 441 19.127 19.127 18.654 0.473 17858 6433 1 18 . 1 1 38 38 ALA H H 441 9.114 9.114 8.543 0.571 17858 6434 1 18 . 1 1 39 39 ASN N N 442 113.951 113.951 114.785 -0.834 17858 6435 1 18 . 1 1 39 39 ASN HA H 442 4.655 4.655 4.840 -0.185 17858 6436 1 18 . 1 1 39 39 ASN CA C 442 52.940 52.940 53.499 -0.559 17858 6437 1 18 . 1 1 39 39 ASN CB C 442 39.264 39.264 39.300 -0.036 17858 6438 1 18 . 1 1 39 39 ASN H H 442 8.072 8.072 7.623 0.449 17858 6439 1 18 . 1 1 40 40 CYS N N 443 122.245 122.245 119.566 2.679 17858 6440 1 18 . 1 1 40 40 CYS HA H 443 4.070 4.070 4.218 -0.148 17858 6441 1 18 . 1 1 40 40 CYS CA C 443 60.661 60.661 59.784 0.877 17858 6442 1 18 . 1 1 40 40 CYS CB C 443 31.037 31.037 27.810 3.227 17858 6443 1 18 . 1 1 40 40 CYS H H 443 7.237 7.237 7.354 -0.117 17858 6444 1 18 . 1 1 41 41 THR N N 444 120.684 120.684 117.430 3.254 17858 6445 1 18 . 1 1 41 41 THR HA H 444 4.411 4.411 4.344 0.067 17858 6446 1 18 . 1 1 41 41 THR CA C 444 61.110 61.110 61.895 -0.784 17858 6447 1 18 . 1 1 41 41 THR CB C 444 68.937 68.937 68.646 0.291 17858 6448 1 18 . 1 1 41 41 THR H H 444 9.033 9.033 8.355 0.678 17858 6449 1 18 . 1 1 42 42 ARG N N 445 123.977 123.977 121.548 2.429 17858 6450 1 18 . 1 1 42 42 ARG HA H 445 4.329 4.329 4.469 -0.140 17858 6451 1 18 . 1 1 42 42 ARG CA C 445 56.416 56.416 55.587 0.828 17858 6452 1 18 . 1 1 42 42 ARG CB C 445 30.604 30.604 32.476 -1.872 17858 6453 1 18 . 1 1 42 42 ARG H H 445 7.927 7.927 7.529 0.398 17858 6454 1 18 . 1 1 43 43 ILE N N 446 132.203 132.203 122.298 9.905 17858 6455 1 18 . 1 1 43 43 ILE HA H 446 3.609 3.609 4.313 -0.704 17858 6456 1 18 . 1 1 43 43 ILE CA C 446 63.023 63.023 61.861 1.162 17858 6457 1 18 . 1 1 43 43 ILE CB C 446 38.463 38.463 38.586 -0.123 17858 6458 1 18 . 1 1 43 43 ILE H H 446 9.010 9.010 8.523 0.487 17858 6459 1 18 . 1 1 44 44 ASP N N 447 116.309 116.309 118.948 -2.639 17858 6460 1 18 . 1 1 44 44 ASP HA H 447 4.555 4.555 4.751 -0.196 17858 6461 1 18 . 1 1 44 44 ASP CA C 447 52.727 52.727 53.008 -0.281 17858 6462 1 18 . 1 1 44 44 ASP CB C 447 40.177 40.177 39.964 0.213 17858 6463 1 18 . 1 1 44 44 ASP H H 447 8.191 8.191 8.339 -0.148 17858 6464 1 18 . 1 1 45 45 CYS N N 448 121.173 121.173 119.513 1.660 17858 6465 1 18 . 1 1 45 45 CYS HA H 448 3.913 3.913 4.517 -0.604 17858 6466 1 18 . 1 1 45 45 CYS CA C 448 62.082 62.082 58.373 3.709 17858 6467 1 18 . 1 1 45 45 CYS CB C 448 31.510 31.510 28.090 3.420 17858 6468 1 18 . 1 1 45 45 CYS H H 448 7.113 7.113 8.054 -0.941 17858 6469 1 18 . 1 1 46 46 LEU N N 449 128.150 128.150 128.145 0.005 17858 6470 1 18 . 1 1 46 46 LEU HA H 449 4.657 4.657 4.706 -0.049 17858 6471 1 18 . 1 1 46 46 LEU CA C 449 55.144 55.144 53.771 1.373 17858 6472 1 18 . 1 1 46 46 LEU CB C 449 43.004 43.004 41.294 1.710 17858 6473 1 18 . 1 1 46 46 LEU H H 449 8.451 8.451 8.555 -0.104 17858 6474 1 18 . 1 1 47 47 PHE N N 450 120.646 120.646 120.053 0.593 17858 6475 1 18 . 1 1 47 47 PHE HA H 450 4.527 4.527 4.806 -0.279 17858 6476 1 18 . 1 1 47 47 PHE CA C 450 58.198 58.198 54.686 3.512 17858 6477 1 18 . 1 1 47 47 PHE CB C 450 39.901 39.901 40.751 -0.850 17858 6478 1 18 . 1 1 47 47 PHE H H 450 8.390 8.390 7.184 1.206 17858 6479 1 18 . 1 1 48 48 GLY N N 451 104.118 104.118 109.088 -4.970 17858 6480 1 18 . 1 1 48 48 GLY CA C 451 47.675 47.675 44.974 2.701 17858 6481 1 18 . 1 1 48 48 GLY H H 451 8.643 8.643 8.170 0.473 17858 6482 1 18 . 1 1 49 49 HIS N N 452 119.710 119.710 125.269 -5.559 17858 6483 1 18 . 1 1 49 49 HIS HA H 452 4.725 4.725 4.767 -0.042 17858 6484 1 18 . 1 1 49 49 HIS CA C 452 54.408 54.408 52.633 1.775 17858 6485 1 18 . 1 1 49 49 HIS CB C 452 29.515 29.515 31.265 -1.750 17858 6486 1 18 . 1 1 49 49 HIS H H 452 6.951 6.951 7.976 -1.025 17858 6487 1 18 . 1 1 50 50 PRO HA H 453 4.291 4.291 4.381 -0.090 17858 6488 1 18 . 1 1 50 50 PRO CA C 453 63.872 63.872 63.080 0.792 17858 6489 1 18 . 1 1 50 50 PRO CB C 453 32.724 32.724 32.496 0.228 17858 6490 1 18 . 1 1 51 51 ILE N N 454 122.942 122.942 118.409 4.533 17858 6491 1 18 . 1 1 51 51 ILE HA H 454 3.787 3.787 4.287 -0.500 17858 6492 1 18 . 1 1 51 51 ILE CA C 454 61.010 61.010 60.209 0.801 17858 6493 1 18 . 1 1 51 51 ILE CB C 454 40.204 40.204 42.529 -2.325 17858 6494 1 18 . 1 1 51 51 ILE H H 454 8.189 8.189 7.874 0.315 17858 6495 1 18 . 1 1 52 52 ASN N N 455 128.496 128.496 123.238 5.258 17858 6496 1 18 . 1 1 52 52 ASN HA H 455 4.641 4.641 4.669 -0.028 17858 6497 1 18 . 1 1 52 52 ASN CA C 455 52.832 52.832 53.756 -0.924 17858 6498 1 18 . 1 1 52 52 ASN CB C 455 36.969 36.969 37.565 -0.596 17858 6499 1 18 . 1 1 52 52 ASN H H 455 8.791 8.791 8.638 0.153 17858 6500 1 18 . 1 1 53 53 GLU N N 456 120.059 120.059 123.100 -3.041 17858 6501 1 18 . 1 1 53 53 GLU HA H 456 4.318 4.318 4.491 -0.173 17858 6502 1 18 . 1 1 53 53 GLU CA C 456 55.588 55.588 54.778 0.810 17858 6503 1 18 . 1 1 53 53 GLU CB C 456 33.826 33.826 33.729 0.097 17858 6504 1 18 . 1 1 53 53 GLU H H 456 8.177 8.177 7.987 0.190 17858 6505 1 18 . 1 1 54 54 ASP N N 457 124.404 124.404 122.652 1.752 17858 6506 1 18 . 1 1 54 54 ASP HA H 457 4.446 4.446 5.057 -0.611 17858 6507 1 18 . 1 1 54 54 ASP CA C 457 55.594 55.594 52.989 2.605 17858 6508 1 18 . 1 1 54 54 ASP CB C 457 41.033 41.033 41.470 -0.437 17858 6509 1 18 . 1 1 54 54 ASP H H 457 8.923 8.923 8.402 0.521 17858 6510 1 18 . 1 1 55 55 CYS N N 458 125.765 125.765 123.302 2.463 17858 6511 1 18 . 1 1 55 55 CYS HA H 458 3.360 3.360 4.283 -0.923 17858 6512 1 18 . 1 1 55 55 CYS CA C 458 61.284 61.284 59.760 1.524 17858 6513 1 18 . 1 1 55 55 CYS CB C 458 31.125 31.125 28.970 2.155 17858 6514 1 18 . 1 1 55 55 CYS H H 458 9.113 9.113 8.326 0.787 17858 6515 1 18 . 1 1 56 56 ARG N N 459 130.790 130.790 123.936 6.854 17858 6516 1 18 . 1 1 56 56 ARG HA H 459 3.875 3.875 4.150 -0.275 17858 6517 1 18 . 1 1 56 56 ARG CA C 459 58.610 58.610 58.017 0.593 17858 6518 1 18 . 1 1 56 56 ARG CB C 459 29.566 29.566 29.864 -0.298 17858 6519 1 18 . 1 1 56 56 ARG H H 459 8.601 8.601 8.671 -0.070 17858 6520 1 18 . 1 1 57 57 PHE N N 460 119.175 119.175 118.467 0.708 17858 6521 1 18 . 1 1 57 57 PHE HA H 460 4.560 4.560 4.438 0.122 17858 6522 1 18 . 1 1 57 57 PHE CA C 460 58.367 58.367 59.025 -0.658 17858 6523 1 18 . 1 1 57 57 PHE CB C 460 39.049 39.049 39.891 -0.842 17858 6524 1 18 . 1 1 57 57 PHE H H 460 8.589 8.589 7.912 0.677 17858 6525 1 18 . 1 1 58 58 GLY N N 461 107.317 107.317 106.317 1.000 17858 6526 1 18 . 1 1 58 58 GLY CA C 461 47.253 47.253 45.282 1.971 17858 6527 1 18 . 1 1 58 58 GLY H H 461 7.386 7.386 8.490 -1.104 17858 6528 1 18 . 1 1 59 59 VAL N N 462 120.829 120.829 117.381 3.448 17858 6529 1 18 . 1 1 59 59 VAL HA H 462 3.674 3.674 4.373 -0.699 17858 6530 1 18 . 1 1 59 59 VAL CA C 462 64.142 64.142 62.082 2.060 17858 6531 1 18 . 1 1 59 59 VAL CB C 462 32.275 32.275 32.067 0.208 17858 6532 1 18 . 1 1 59 59 VAL H H 462 8.881 8.881 8.352 0.529 17858 6533 1 18 . 1 1 60 60 ASN N N 463 114.923 114.923 118.111 -3.188 17858 6534 1 18 . 1 1 60 60 ASN HA H 463 4.667 4.667 4.759 -0.092 17858 6535 1 18 . 1 1 60 60 ASN CA C 463 53.316 53.316 53.759 -0.443 17858 6536 1 18 . 1 1 60 60 ASN CB C 463 39.355 39.355 38.778 0.577 17858 6537 1 18 . 1 1 60 60 ASN H H 463 7.819 7.819 8.334 -0.515 17858 6538 1 18 . 1 1 61 61 CYS N N 464 121.670 121.670 121.397 0.273 17858 6539 1 18 . 1 1 61 61 CYS HA H 464 3.770 3.770 3.798 -0.028 17858 6540 1 18 . 1 1 61 61 CYS CA C 464 61.725 61.725 60.152 1.573 17858 6541 1 18 . 1 1 61 61 CYS CB C 464 30.891 30.891 26.789 4.102 17858 6542 1 18 . 1 1 61 61 CYS H H 464 7.049 7.049 8.091 -1.042 17858 6543 1 18 . 1 1 62 62 LYS N N 465 131.072 131.072 126.130 4.942 17858 6544 1 18 . 1 1 62 62 LYS HA H 465 4.312 4.312 4.405 -0.094 17858 6545 1 18 . 1 1 62 62 LYS CA C 465 55.230 55.230 55.677 -0.447 17858 6546 1 18 . 1 1 62 62 LYS CB C 465 32.794 32.794 32.339 0.455 17858 6547 1 18 . 1 1 62 62 LYS H H 465 8.836 8.836 8.326 0.510 17858 6548 1 18 . 1 1 63 63 ASN N N 466 119.130 119.130 116.980 2.150 17858 6549 1 18 . 1 1 63 63 ASN HA H 466 4.596 4.596 4.544 0.052 17858 6550 1 18 . 1 1 63 63 ASN CA C 466 52.210 52.210 52.387 -0.177 17858 6551 1 18 . 1 1 63 63 ASN CB C 466 38.827 38.827 39.746 -0.919 17858 6552 1 18 . 1 1 63 63 ASN H H 466 7.660 7.660 7.606 0.054 17858 6553 1 18 . 1 1 64 64 ILE N N 467 125.111 125.111 116.781 8.330 17858 6554 1 18 . 1 1 64 64 ILE HA H 467 3.539 3.539 4.144 -0.605 17858 6555 1 18 . 1 1 64 64 ILE CA C 467 64.493 64.493 60.608 3.885 17858 6556 1 18 . 1 1 64 64 ILE CB C 467 38.068 38.068 38.828 -0.760 17858 6557 1 18 . 1 1 64 64 ILE H H 467 8.475 8.475 7.464 1.011 17858 6558 1 18 . 1 1 65 65 TYR N N 468 118.920 118.920 117.747 1.173 17858 6559 1 18 . 1 1 65 65 TYR HA H 468 4.538 4.538 4.784 -0.246 17858 6560 1 18 . 1 1 65 65 TYR CA C 468 57.003 57.003 55.046 1.957 17858 6561 1 18 . 1 1 65 65 TYR CB C 468 37.716 37.716 36.734 0.981 17858 6562 1 18 . 1 1 65 65 TYR H H 468 7.462 7.462 7.086 0.376 17858 6563 1 18 . 1 1 66 66 CYS N N 469 122.658 122.658 121.271 1.387 17858 6564 1 18 . 1 1 66 66 CYS HA H 469 4.009 4.009 4.491 -0.482 17858 6565 1 18 . 1 1 66 66 CYS CA C 469 62.039 62.039 58.245 3.794 17858 6566 1 18 . 1 1 66 66 CYS CB C 469 31.455 31.455 27.775 3.680 17858 6567 1 18 . 1 1 66 66 CYS H H 469 7.305 7.305 8.234 -0.929 17858 6568 1 18 . 1 1 67 67 LEU N N 470 130.238 130.238 127.429 2.809 17858 6569 1 18 . 1 1 67 67 LEU HA H 470 4.353 4.353 4.376 -0.023 17858 6570 1 18 . 1 1 67 67 LEU CA C 470 55.947 55.947 54.485 1.462 17858 6571 1 18 . 1 1 67 67 LEU CB C 470 42.125 42.125 41.462 0.663 17858 6572 1 18 . 1 1 67 67 LEU H H 470 9.002 9.002 8.250 0.752 17858 6573 1 18 . 1 1 68 68 PHE N N 471 120.946 120.946 117.176 3.770 17858 6574 1 18 . 1 1 68 68 PHE HA H 471 4.576 4.576 4.486 0.090 17858 6575 1 18 . 1 1 68 68 PHE CA C 471 59.242 59.242 55.739 3.503 17858 6576 1 18 . 1 1 68 68 PHE CB C 471 39.865 39.865 40.163 -0.298 17858 6577 1 18 . 1 1 68 68 PHE H H 471 8.519 8.519 6.948 1.571 17858 6578 1 18 . 1 1 69 69 ARG N N 472 116.975 116.975 120.847 -3.872 17858 6579 1 18 . 1 1 69 69 ARG HA H 472 4.331 4.331 4.317 0.014 17858 6580 1 18 . 1 1 69 69 ARG CA C 472 56.933 56.933 54.129 2.804 17858 6581 1 18 . 1 1 69 69 ARG CB C 472 31.822 31.822 31.906 -0.084 17858 6582 1 18 . 1 1 69 69 ARG H H 472 8.417 8.417 8.646 -0.229 17858 6583 1 18 . 1 1 70 70 HIS N N 473 118.809 118.809 120.887 -2.078 17858 6584 1 18 . 1 1 70 70 HIS HA H 473 4.991 4.991 4.866 0.125 17858 6585 1 18 . 1 1 70 70 HIS CA C 473 55.311 55.311 53.388 1.923 17858 6586 1 18 . 1 1 70 70 HIS CB C 473 30.613 30.613 31.079 -0.466 17858 6587 1 18 . 1 1 70 70 HIS H H 473 8.499 8.499 8.361 0.138 17858 6588 1 18 . 1 1 71 71 PRO HA H 474 4.742 4.742 4.561 0.181 17858 6589 1 18 . 1 1 71 71 PRO CA C 474 61.250 61.250 62.051 -0.801 17858 6590 1 18 . 1 1 71 71 PRO CB C 474 30.743 30.743 31.128 -0.385 17858 6591 1 18 . 1 1 72 72 PRO HA H 475 4.279 4.279 4.402 -0.123 17858 6592 1 18 . 1 1 72 72 PRO CA C 475 63.941 63.941 63.340 0.601 17858 6593 1 18 . 1 1 72 72 PRO CB C 475 32.122 32.122 31.480 0.642 17858 6594 1 18 . 1 1 73 73 GLY N N 476 106.525 106.525 111.846 -5.321 17858 6595 1 18 . 1 1 73 73 GLY CA C 476 45.142 45.142 44.868 0.274 17858 6596 1 18 . 1 1 73 73 GLY H H 476 8.359 8.359 8.809 -0.450 17858 6597 1 18 . 1 1 74 74 ARG N N 477 121.516 121.516 119.190 2.326 17858 6598 1 18 . 1 1 74 74 ARG HA H 477 4.223 4.223 4.459 -0.236 17858 6599 1 18 . 1 1 74 74 ARG CA C 477 57.021 57.021 55.538 1.483 17858 6600 1 18 . 1 1 74 74 ARG CB C 477 31.388 31.388 31.593 -0.205 17858 6601 1 18 . 1 1 74 74 ARG H H 477 7.255 7.255 7.728 -0.473 17858 6602 1 18 . 1 1 75 75 VAL N N 478 128.411 128.411 117.280 11.131 17858 6603 1 18 . 1 1 75 75 VAL HA H 478 4.054 4.054 4.239 -0.185 17858 6604 1 18 . 1 1 75 75 VAL CA C 478 61.925 61.925 61.713 0.212 17858 6605 1 18 . 1 1 75 75 VAL CB C 478 33.788 33.788 33.697 0.091 17858 6606 1 18 . 1 1 75 75 VAL H H 478 8.569 8.569 8.236 0.333 17858 6607 1 18 . 1 1 76 76 LEU N N 479 127.195 127.195 121.887 5.308 17858 6608 1 18 . 1 1 76 76 LEU HA H 479 4.462 4.462 4.793 -0.331 17858 6609 1 18 . 1 1 76 76 LEU CA C 479 52.474 52.474 52.567 -0.093 17858 6610 1 18 . 1 1 76 76 LEU CB C 479 42.068 42.068 44.578 -2.510 17858 6611 1 18 . 1 1 76 76 LEU H H 479 8.338 8.338 8.399 -0.061 17858 6612 1 18 . 1 1 77 77 PRO HA H 480 4.251 4.251 4.519 -0.268 17858 6613 1 18 . 1 1 77 77 PRO CA C 480 63.072 63.072 62.740 0.332 17858 6614 1 18 . 1 1 77 77 PRO CB C 480 32.313 32.313 32.144 0.169 17858 6615 1 18 . 1 1 78 78 GLU N N 481 120.828 120.828 122.717 -1.889 17858 6616 1 18 . 1 1 78 78 GLU HA H 481 4.089 4.089 4.487 -0.398 17858 6617 1 18 . 1 1 78 78 GLU CA C 481 56.521 56.521 55.806 0.715 17858 6618 1 18 . 1 1 78 78 GLU CB C 481 31.032 31.032 31.323 -0.291 17858 6619 1 18 . 1 1 78 78 GLU H H 481 8.328 8.328 8.514 -0.186 17858 6620 1 18 . 1 1 79 79 LYS N N 482 123.778 123.778 122.721 1.057 17858 6621 1 18 . 1 1 79 79 LYS HA H 482 4.166 4.166 4.470 -0.304 17858 6622 1 18 . 1 1 79 79 LYS CA C 482 56.581 56.581 56.068 0.513 17858 6623 1 18 . 1 1 79 79 LYS CB C 482 33.279 33.279 32.890 0.389 17858 6624 1 18 . 1 1 79 79 LYS H H 482 8.332 8.332 8.627 -0.295 17858 6625 1 19 . 1 1 2 2 PRO HA H 405 4.356 4.356 4.715 -0.359 17858 6626 1 19 . 1 1 2 2 PRO CA C 405 63.329 63.329 62.742 0.587 17858 6627 1 19 . 1 1 2 2 PRO CB C 405 32.603 32.603 32.474 0.129 17858 6628 1 19 . 1 1 3 3 LEU N N 406 122.497 122.497 121.386 1.111 17858 6629 1 19 . 1 1 3 3 LEU HA H 406 4.231 4.231 4.489 -0.258 17858 6630 1 19 . 1 1 3 3 LEU CA C 406 55.838 55.838 54.733 1.105 17858 6631 1 19 . 1 1 3 3 LEU CB C 406 42.529 42.529 44.466 -1.937 17858 6632 1 19 . 1 1 3 3 LEU H H 406 8.571 8.571 8.032 0.539 17858 6633 1 19 . 1 1 4 4 GLY N N 407 110.132 110.132 108.582 1.550 17858 6634 1 19 . 1 1 4 4 GLY CA C 407 45.746 45.746 44.588 1.158 17858 6635 1 19 . 1 1 4 4 GLY H H 407 8.504 8.504 8.251 0.253 17858 6636 1 19 . 1 1 5 5 SER N N 408 114.820 114.820 118.282 -3.462 17858 6637 1 19 . 1 1 5 5 SER HA H 408 4.321 4.321 4.581 -0.260 17858 6638 1 19 . 1 1 5 5 SER CA C 408 58.629 58.629 57.992 0.637 17858 6639 1 19 . 1 1 5 5 SER CB C 408 64.171 64.171 64.647 -0.476 17858 6640 1 19 . 1 1 5 5 SER H H 408 8.087 8.087 8.293 -0.206 17858 6641 1 19 . 1 1 6 6 GLU N N 409 122.539 122.539 119.128 3.411 17858 6642 1 19 . 1 1 6 6 GLU HA H 409 4.137 4.137 4.080 0.057 17858 6643 1 19 . 1 1 6 6 GLU CA C 409 57.076 57.076 57.337 -0.262 17858 6644 1 19 . 1 1 6 6 GLU CB C 409 30.420 30.420 28.711 1.709 17858 6645 1 19 . 1 1 6 6 GLU H H 409 8.483 8.483 8.393 0.090 17858 6646 1 19 . 1 1 7 7 LYS N N 410 120.141 120.141 120.688 -0.547 17858 6647 1 19 . 1 1 7 7 LYS HA H 410 4.332 4.332 4.398 -0.066 17858 6648 1 19 . 1 1 7 7 LYS CA C 410 56.279 56.279 56.138 0.141 17858 6649 1 19 . 1 1 7 7 LYS CB C 410 33.875 33.875 32.850 1.025 17858 6650 1 19 . 1 1 7 7 LYS H H 410 7.997 7.997 8.233 -0.236 17858 6651 1 19 . 1 1 8 8 SER N N 411 114.672 114.672 114.533 0.139 17858 6652 1 19 . 1 1 8 8 SER HA H 411 4.542 4.542 4.556 -0.014 17858 6653 1 19 . 1 1 8 8 SER CA C 411 56.092 56.092 56.566 -0.474 17858 6654 1 19 . 1 1 8 8 SER CB C 411 65.009 65.009 64.386 0.623 17858 6655 1 19 . 1 1 8 8 SER H H 411 8.214 8.214 7.726 0.488 17858 6656 1 19 . 1 1 9 9 LEU N N 412 122.535 122.535 121.800 0.735 17858 6657 1 19 . 1 1 9 9 LEU HA H 412 3.938 3.938 4.600 -0.662 17858 6658 1 19 . 1 1 9 9 LEU CA C 412 55.495 55.495 53.710 1.785 17858 6659 1 19 . 1 1 9 9 LEU CB C 412 42.864 42.864 40.526 2.338 17858 6660 1 19 . 1 1 9 9 LEU H H 412 8.487 8.487 8.584 -0.097 17858 6661 1 19 . 1 1 10 10 GLU N N 413 121.582 121.582 118.675 2.907 17858 6662 1 19 . 1 1 10 10 GLU HA H 413 3.804 3.804 4.509 -0.705 17858 6663 1 19 . 1 1 10 10 GLU CA C 413 57.749 57.749 55.179 2.570 17858 6664 1 19 . 1 1 10 10 GLU CB C 413 29.807 29.807 31.813 -2.006 17858 6665 1 19 . 1 1 10 10 GLU H H 413 8.483 8.483 8.052 0.431 17858 6666 1 19 . 1 1 11 11 GLN N N 414 124.052 124.052 118.738 5.314 17858 6667 1 19 . 1 1 11 11 GLN HA H 414 3.768 3.768 4.789 -1.021 17858 6668 1 19 . 1 1 11 11 GLN CA C 414 55.415 55.415 54.642 0.773 17858 6669 1 19 . 1 1 11 11 GLN CB C 414 29.918 29.918 31.507 -1.589 17858 6670 1 19 . 1 1 11 11 GLN H H 414 8.475 8.475 8.529 -0.054 17858 6671 1 19 . 1 1 12 12 CYS N N 415 129.067 129.067 124.701 4.366 17858 6672 1 19 . 1 1 12 12 CYS HA H 415 3.668 3.668 4.215 -0.547 17858 6673 1 19 . 1 1 12 12 CYS CA C 415 61.173 61.173 60.888 0.285 17858 6674 1 19 . 1 1 12 12 CYS CB C 415 30.342 30.342 28.355 1.987 17858 6675 1 19 . 1 1 12 12 CYS H H 415 9.290 9.290 8.403 0.887 17858 6676 1 19 . 1 1 13 13 LYS N N 416 129.282 129.282 121.876 7.406 17858 6677 1 19 . 1 1 13 13 LYS HA H 416 3.814 3.814 4.544 -0.730 17858 6678 1 19 . 1 1 13 13 LYS CA C 416 58.772 58.772 57.063 1.709 17858 6679 1 19 . 1 1 13 13 LYS CB C 416 32.186 32.186 32.145 0.041 17858 6680 1 19 . 1 1 13 13 LYS H H 416 8.623 8.623 8.818 -0.195 17858 6681 1 19 . 1 1 14 14 PHE N N 417 119.338 119.338 118.483 0.855 17858 6682 1 19 . 1 1 14 14 PHE HA H 417 4.613 4.613 4.632 -0.019 17858 6683 1 19 . 1 1 14 14 PHE CA C 417 58.971 58.971 57.981 0.990 17858 6684 1 19 . 1 1 14 14 PHE CB C 417 39.352 39.352 40.131 -0.779 17858 6685 1 19 . 1 1 14 14 PHE H H 417 8.603 8.603 7.697 0.906 17858 6686 1 19 . 1 1 15 15 GLY N N 418 107.206 107.206 108.991 -1.785 17858 6687 1 19 . 1 1 15 15 GLY CA C 418 47.937 47.937 45.842 2.095 17858 6688 1 19 . 1 1 15 15 GLY H H 418 7.472 7.472 8.310 -0.838 17858 6689 1 19 . 1 1 16 16 THR N N 419 117.234 117.234 116.042 1.192 17858 6690 1 19 . 1 1 16 16 THR HA H 419 4.002 4.002 4.441 -0.439 17858 6691 1 19 . 1 1 16 16 THR CA C 419 63.842 63.842 62.112 1.730 17858 6692 1 19 . 1 1 16 16 THR CB C 419 68.778 68.778 68.041 0.737 17858 6693 1 19 . 1 1 16 16 THR H H 419 8.740 8.740 8.493 0.247 17858 6694 1 19 . 1 1 17 17 HIS N N 420 118.028 118.028 121.126 -3.098 17858 6695 1 19 . 1 1 17 17 HIS HA H 420 4.581 4.581 4.554 0.027 17858 6696 1 19 . 1 1 17 17 HIS CA C 420 55.612 55.612 56.346 -0.735 17858 6697 1 19 . 1 1 17 17 HIS CB C 420 29.751 29.751 30.826 -1.075 17858 6698 1 19 . 1 1 17 17 HIS H H 420 8.059 8.059 8.112 -0.053 17858 6699 1 19 . 1 1 18 18 CYS N N 421 122.824 122.824 121.030 1.794 17858 6700 1 19 . 1 1 18 18 CYS HA H 421 3.849 3.849 4.637 -0.788 17858 6701 1 19 . 1 1 18 18 CYS CA C 421 61.733 61.733 58.829 2.904 17858 6702 1 19 . 1 1 18 18 CYS CB C 421 30.570 30.570 27.020 3.550 17858 6703 1 19 . 1 1 18 18 CYS H H 421 7.288 7.288 8.521 -1.233 17858 6704 1 19 . 1 1 19 19 THR N N 422 119.018 119.018 121.752 -2.734 17858 6705 1 19 . 1 1 19 19 THR HA H 422 4.348 4.348 4.514 -0.166 17858 6706 1 19 . 1 1 19 19 THR CA C 422 61.292 61.292 60.962 0.330 17858 6707 1 19 . 1 1 19 19 THR CB C 422 69.612 69.612 68.352 1.260 17858 6708 1 19 . 1 1 19 19 THR H H 422 8.435 8.435 8.330 0.105 17858 6709 1 19 . 1 1 20 20 ASN N N 423 121.923 121.923 120.077 1.846 17858 6710 1 19 . 1 1 20 20 ASN HA H 423 4.690 4.690 4.852 -0.162 17858 6711 1 19 . 1 1 20 20 ASN CA C 423 52.203 52.203 52.413 -0.210 17858 6712 1 19 . 1 1 20 20 ASN CB C 423 38.747 38.747 40.754 -2.007 17858 6713 1 19 . 1 1 20 20 ASN H H 423 7.924 7.924 8.001 -0.077 17858 6714 1 19 . 1 1 21 21 LYS N N 424 127.775 127.775 123.994 3.781 17858 6715 1 19 . 1 1 21 21 LYS HA H 424 3.922 3.922 4.123 -0.201 17858 6716 1 19 . 1 1 21 21 LYS CA C 424 58.647 58.647 57.936 0.711 17858 6717 1 19 . 1 1 21 21 LYS CB C 424 32.289 32.289 33.050 -0.761 17858 6718 1 19 . 1 1 21 21 LYS H H 424 9.094 9.094 8.685 0.409 17858 6719 1 19 . 1 1 22 22 ARG N N 425 116.206 116.206 116.041 0.165 17858 6720 1 19 . 1 1 22 22 ARG HA H 425 4.270 4.270 4.576 -0.306 17858 6721 1 19 . 1 1 22 22 ARG CA C 425 54.832 54.832 54.732 0.100 17858 6722 1 19 . 1 1 22 22 ARG CB C 425 29.549 29.549 29.056 0.493 17858 6723 1 19 . 1 1 22 22 ARG H H 425 7.825 7.825 7.643 0.182 17858 6724 1 19 . 1 1 23 23 CYS N N 426 123.387 123.387 121.369 2.018 17858 6725 1 19 . 1 1 23 23 CYS HA H 426 3.867 3.867 4.477 -0.610 17858 6726 1 19 . 1 1 23 23 CYS CA C 426 62.205 62.205 60.407 1.798 17858 6727 1 19 . 1 1 23 23 CYS CB C 426 30.940 30.940 28.823 2.117 17858 6728 1 19 . 1 1 23 23 CYS H H 426 7.273 7.273 8.441 -1.168 17858 6729 1 19 . 1 1 24 24 LYS N N 427 128.443 128.443 127.738 0.705 17858 6730 1 19 . 1 1 24 24 LYS HA H 427 4.299 4.299 4.181 0.118 17858 6731 1 19 . 1 1 24 24 LYS CA C 427 57.047 57.047 55.683 1.364 17858 6732 1 19 . 1 1 24 24 LYS CB C 427 33.275 33.275 32.041 1.234 17858 6733 1 19 . 1 1 24 24 LYS H H 427 8.525 8.525 8.485 0.040 17858 6734 1 19 . 1 1 25 25 TYR N N 428 123.059 123.059 115.538 7.521 17858 6735 1 19 . 1 1 25 25 TYR HA H 428 4.569 4.569 4.606 -0.037 17858 6736 1 19 . 1 1 25 25 TYR CA C 428 58.470 58.470 56.518 1.952 17858 6737 1 19 . 1 1 25 25 TYR CB C 428 39.830 39.830 41.622 -1.792 17858 6738 1 19 . 1 1 25 25 TYR H H 428 8.066 8.066 7.458 0.608 17858 6739 1 19 . 1 1 26 26 ARG N N 429 116.840 116.840 117.721 -0.881 17858 6740 1 19 . 1 1 26 26 ARG HA H 429 4.429 4.429 4.535 -0.106 17858 6741 1 19 . 1 1 26 26 ARG CA C 429 58.979 58.979 55.276 3.703 17858 6742 1 19 . 1 1 26 26 ARG CB C 429 33.073 33.073 31.899 1.174 17858 6743 1 19 . 1 1 26 26 ARG H H 429 8.275 8.275 8.541 -0.266 17858 6744 1 19 . 1 1 27 27 HIS N N 430 117.522 117.522 118.791 -1.269 17858 6745 1 19 . 1 1 27 27 HIS HA H 430 4.553 4.553 4.856 -0.303 17858 6746 1 19 . 1 1 27 27 HIS CA C 430 56.912 56.912 55.191 1.721 17858 6747 1 19 . 1 1 27 27 HIS CB C 430 30.715 30.715 33.679 -2.964 17858 6748 1 19 . 1 1 27 27 HIS H H 430 8.154 8.154 8.827 -0.673 17858 6749 1 19 . 1 1 28 28 ALA N N 431 126.087 126.087 126.557 -0.470 17858 6750 1 19 . 1 1 28 28 ALA HA H 431 4.106 4.106 4.509 -0.403 17858 6751 1 19 . 1 1 28 28 ALA CA C 431 51.833 51.833 52.082 -0.249 17858 6752 1 19 . 1 1 28 28 ALA CB C 431 18.291 18.291 19.332 -1.041 17858 6753 1 19 . 1 1 28 28 ALA H H 431 8.061 8.061 8.735 -0.674 17858 6754 1 19 . 1 1 29 29 ARG N N 432 121.538 121.538 122.742 -1.204 17858 6755 1 19 . 1 1 29 29 ARG HA H 432 4.280 4.280 4.574 -0.294 17858 6756 1 19 . 1 1 29 29 ARG CA C 432 55.492 55.492 56.055 -0.563 17858 6757 1 19 . 1 1 29 29 ARG CB C 432 31.353 31.353 30.619 0.734 17858 6758 1 19 . 1 1 29 29 ARG H H 432 8.630 8.630 8.911 -0.281 17858 6759 1 19 . 1 1 30 30 SER N N 433 112.439 112.439 114.625 -2.186 17858 6760 1 19 . 1 1 30 30 SER HA H 433 4.463 4.463 4.546 -0.083 17858 6761 1 19 . 1 1 30 30 SER CA C 433 56.566 56.566 57.267 -0.701 17858 6762 1 19 . 1 1 30 30 SER CB C 433 64.803 64.803 65.521 -0.718 17858 6763 1 19 . 1 1 30 30 SER H H 433 7.450 7.450 7.803 -0.353 17858 6764 1 19 . 1 1 31 31 HIS N N 434 121.494 121.494 118.010 3.484 17858 6765 1 19 . 1 1 31 31 HIS HA H 434 4.279 4.279 4.517 -0.238 17858 6766 1 19 . 1 1 31 31 HIS CA C 434 56.955 56.955 55.285 1.670 17858 6767 1 19 . 1 1 31 31 HIS CB C 434 29.834 29.834 29.012 0.822 17858 6768 1 19 . 1 1 31 31 HIS H H 434 8.132 8.132 8.384 -0.252 17858 6769 1 19 . 1 1 32 32 ILE N N 435 123.851 123.851 123.642 0.209 17858 6770 1 19 . 1 1 32 32 ILE HA H 435 3.506 3.506 3.824 -0.318 17858 6771 1 19 . 1 1 32 32 ILE CA C 435 61.345 61.345 59.244 2.101 17858 6772 1 19 . 1 1 32 32 ILE CB C 435 37.765 37.765 36.566 1.199 17858 6773 1 19 . 1 1 32 32 ILE H H 435 7.858 7.858 7.966 -0.108 17858 6774 1 19 . 1 1 33 33 MET N N 436 125.294 125.294 123.372 1.922 17858 6775 1 19 . 1 1 33 33 MET HA H 436 4.050 4.050 4.636 -0.586 17858 6776 1 19 . 1 1 33 33 MET CA C 436 54.733 54.733 55.842 -1.109 17858 6777 1 19 . 1 1 33 33 MET CB C 436 31.934 31.934 33.816 -1.881 17858 6778 1 19 . 1 1 33 33 MET H H 436 8.317 8.317 8.154 0.163 17858 6779 1 19 . 1 1 34 34 CYS N N 437 127.958 127.958 119.376 8.582 17858 6780 1 19 . 1 1 34 34 CYS HA H 437 3.389 3.389 5.073 -1.684 17858 6781 1 19 . 1 1 34 34 CYS CA C 437 61.544 61.544 58.299 3.245 17858 6782 1 19 . 1 1 34 34 CYS CB C 437 31.325 31.325 29.709 1.616 17858 6783 1 19 . 1 1 34 34 CYS H H 437 9.255 9.255 8.369 0.886 17858 6784 1 19 . 1 1 35 35 ARG N N 438 131.582 131.582 126.715 4.867 17858 6785 1 19 . 1 1 35 35 ARG HA H 438 3.887 3.887 4.172 -0.285 17858 6786 1 19 . 1 1 35 35 ARG CA C 438 59.466 59.466 58.799 0.667 17858 6787 1 19 . 1 1 35 35 ARG CB C 438 30.251 30.251 30.113 0.138 17858 6788 1 19 . 1 1 35 35 ARG H H 438 8.645 8.645 9.139 -0.494 17858 6789 1 19 . 1 1 36 36 GLU N N 439 117.530 117.530 118.505 -0.975 17858 6790 1 19 . 1 1 36 36 GLU HA H 439 4.284 4.284 4.301 -0.017 17858 6791 1 19 . 1 1 36 36 GLU CA C 439 57.440 57.440 55.944 1.496 17858 6792 1 19 . 1 1 36 36 GLU CB C 439 30.295 30.295 29.663 0.632 17858 6793 1 19 . 1 1 36 36 GLU H H 439 8.302 8.302 8.282 0.020 17858 6794 1 19 . 1 1 37 37 GLY N N 440 107.589 107.589 108.730 -1.141 17858 6795 1 19 . 1 1 37 37 GLY CA C 440 47.353 47.353 45.630 1.724 17858 6796 1 19 . 1 1 37 37 GLY H H 440 7.518 7.518 7.997 -0.479 17858 6797 1 19 . 1 1 38 38 ALA N N 441 126.673 126.673 125.647 1.026 17858 6798 1 19 . 1 1 38 38 ALA HA H 441 4.180 4.180 4.105 0.075 17858 6799 1 19 . 1 1 38 38 ALA CA C 441 53.717 53.717 52.967 0.750 17858 6800 1 19 . 1 1 38 38 ALA CB C 441 19.127 19.127 18.635 0.492 17858 6801 1 19 . 1 1 38 38 ALA H H 441 9.114 9.114 8.488 0.626 17858 6802 1 19 . 1 1 39 39 ASN N N 442 113.951 113.951 117.052 -3.101 17858 6803 1 19 . 1 1 39 39 ASN HA H 442 4.655 4.655 4.734 -0.079 17858 6804 1 19 . 1 1 39 39 ASN CA C 442 52.940 52.940 53.010 -0.070 17858 6805 1 19 . 1 1 39 39 ASN CB C 442 39.264 39.264 39.338 -0.074 17858 6806 1 19 . 1 1 39 39 ASN H H 442 8.072 8.072 7.721 0.351 17858 6807 1 19 . 1 1 40 40 CYS N N 443 122.245 122.245 119.760 2.485 17858 6808 1 19 . 1 1 40 40 CYS HA H 443 4.070 4.070 4.245 -0.175 17858 6809 1 19 . 1 1 40 40 CYS CA C 443 60.661 60.661 60.185 0.475 17858 6810 1 19 . 1 1 40 40 CYS CB C 443 31.037 31.037 28.383 2.654 17858 6811 1 19 . 1 1 40 40 CYS H H 443 7.237 7.237 7.260 -0.023 17858 6812 1 19 . 1 1 41 41 THR N N 444 120.684 120.684 116.398 4.286 17858 6813 1 19 . 1 1 41 41 THR HA H 444 4.411 4.411 4.326 0.085 17858 6814 1 19 . 1 1 41 41 THR CA C 444 61.110 61.110 61.841 -0.731 17858 6815 1 19 . 1 1 41 41 THR CB C 444 68.937 68.937 68.459 0.478 17858 6816 1 19 . 1 1 41 41 THR H H 444 9.033 9.033 8.359 0.674 17858 6817 1 19 . 1 1 42 42 ARG N N 445 123.977 123.977 121.300 2.677 17858 6818 1 19 . 1 1 42 42 ARG HA H 445 4.329 4.329 4.505 -0.176 17858 6819 1 19 . 1 1 42 42 ARG CA C 445 56.416 56.416 55.292 1.124 17858 6820 1 19 . 1 1 42 42 ARG CB C 445 30.604 30.604 32.638 -2.034 17858 6821 1 19 . 1 1 42 42 ARG H H 445 7.927 7.927 7.546 0.381 17858 6822 1 19 . 1 1 43 43 ILE N N 446 132.203 132.203 123.488 8.715 17858 6823 1 19 . 1 1 43 43 ILE HA H 446 3.609 3.609 4.292 -0.683 17858 6824 1 19 . 1 1 43 43 ILE CA C 446 63.023 63.023 61.796 1.227 17858 6825 1 19 . 1 1 43 43 ILE CB C 446 38.463 38.463 38.683 -0.220 17858 6826 1 19 . 1 1 43 43 ILE H H 446 9.010 9.010 8.556 0.454 17858 6827 1 19 . 1 1 44 44 ASP N N 447 116.309 116.309 119.333 -3.024 17858 6828 1 19 . 1 1 44 44 ASP HA H 447 4.555 4.555 4.665 -0.110 17858 6829 1 19 . 1 1 44 44 ASP CA C 447 52.727 52.727 53.353 -0.626 17858 6830 1 19 . 1 1 44 44 ASP CB C 447 40.177 40.177 40.170 0.007 17858 6831 1 19 . 1 1 44 44 ASP H H 447 8.191 8.191 8.059 0.132 17858 6832 1 19 . 1 1 45 45 CYS N N 448 121.173 121.173 119.685 1.488 17858 6833 1 19 . 1 1 45 45 CYS HA H 448 3.913 3.913 4.389 -0.476 17858 6834 1 19 . 1 1 45 45 CYS CA C 448 62.082 62.082 59.495 2.587 17858 6835 1 19 . 1 1 45 45 CYS CB C 448 31.510 31.510 27.347 4.163 17858 6836 1 19 . 1 1 45 45 CYS H H 448 7.113 7.113 8.022 -0.909 17858 6837 1 19 . 1 1 46 46 LEU N N 449 128.150 128.150 128.581 -0.431 17858 6838 1 19 . 1 1 46 46 LEU HA H 449 4.657 4.657 4.720 -0.062 17858 6839 1 19 . 1 1 46 46 LEU CA C 449 55.144 55.144 54.459 0.685 17858 6840 1 19 . 1 1 46 46 LEU CB C 449 43.004 43.004 41.573 1.431 17858 6841 1 19 . 1 1 46 46 LEU H H 449 8.451 8.451 8.403 0.048 17858 6842 1 19 . 1 1 47 47 PHE N N 450 120.646 120.646 119.347 1.299 17858 6843 1 19 . 1 1 47 47 PHE HA H 450 4.527 4.527 4.960 -0.433 17858 6844 1 19 . 1 1 47 47 PHE CA C 450 58.198 58.198 54.385 3.813 17858 6845 1 19 . 1 1 47 47 PHE CB C 450 39.901 39.901 41.463 -1.562 17858 6846 1 19 . 1 1 47 47 PHE H H 450 8.390 8.390 7.526 0.864 17858 6847 1 19 . 1 1 48 48 GLY N N 451 104.118 104.118 109.069 -4.951 17858 6848 1 19 . 1 1 48 48 GLY CA C 451 47.675 47.675 44.703 2.972 17858 6849 1 19 . 1 1 48 48 GLY H H 451 8.643 8.643 8.149 0.494 17858 6850 1 19 . 1 1 49 49 HIS N N 452 119.710 119.710 124.165 -4.455 17858 6851 1 19 . 1 1 49 49 HIS HA H 452 4.725 4.725 4.797 -0.072 17858 6852 1 19 . 1 1 49 49 HIS CA C 452 54.408 54.408 52.687 1.721 17858 6853 1 19 . 1 1 49 49 HIS CB C 452 29.515 29.515 31.985 -2.470 17858 6854 1 19 . 1 1 49 49 HIS H H 452 6.951 6.951 8.196 -1.245 17858 6855 1 19 . 1 1 50 50 PRO HA H 453 4.291 4.291 4.411 -0.120 17858 6856 1 19 . 1 1 50 50 PRO CA C 453 63.872 63.872 63.160 0.712 17858 6857 1 19 . 1 1 50 50 PRO CB C 453 32.724 32.724 32.777 -0.053 17858 6858 1 19 . 1 1 51 51 ILE N N 454 122.942 122.942 118.376 4.566 17858 6859 1 19 . 1 1 51 51 ILE HA H 454 3.787 3.787 4.264 -0.477 17858 6860 1 19 . 1 1 51 51 ILE CA C 454 61.010 61.010 60.096 0.914 17858 6861 1 19 . 1 1 51 51 ILE CB C 454 40.204 40.204 42.955 -2.751 17858 6862 1 19 . 1 1 51 51 ILE H H 454 8.189 8.189 7.973 0.216 17858 6863 1 19 . 1 1 52 52 ASN N N 455 128.496 128.496 123.788 4.708 17858 6864 1 19 . 1 1 52 52 ASN HA H 455 4.641 4.641 4.692 -0.051 17858 6865 1 19 . 1 1 52 52 ASN CA C 455 52.832 52.832 53.601 -0.769 17858 6866 1 19 . 1 1 52 52 ASN CB C 455 36.969 36.969 38.053 -1.084 17858 6867 1 19 . 1 1 52 52 ASN H H 455 8.791 8.791 8.787 0.003 17858 6868 1 19 . 1 1 53 53 GLU N N 456 120.059 120.059 123.038 -2.979 17858 6869 1 19 . 1 1 53 53 GLU HA H 456 4.318 4.318 4.402 -0.084 17858 6870 1 19 . 1 1 53 53 GLU CA C 456 55.588 55.588 55.163 0.425 17858 6871 1 19 . 1 1 53 53 GLU CB C 456 33.826 33.826 34.058 -0.232 17858 6872 1 19 . 1 1 53 53 GLU H H 456 8.177 8.177 7.957 0.220 17858 6873 1 19 . 1 1 54 54 ASP N N 457 124.404 124.404 122.569 1.835 17858 6874 1 19 . 1 1 54 54 ASP HA H 457 4.446 4.446 5.259 -0.813 17858 6875 1 19 . 1 1 54 54 ASP CA C 457 55.594 55.594 53.240 2.354 17858 6876 1 19 . 1 1 54 54 ASP CB C 457 41.033 41.033 41.264 -0.231 17858 6877 1 19 . 1 1 54 54 ASP H H 457 8.923 8.923 8.412 0.511 17858 6878 1 19 . 1 1 55 55 CYS N N 458 125.765 125.765 123.927 1.838 17858 6879 1 19 . 1 1 55 55 CYS HA H 458 3.360 3.360 4.314 -0.954 17858 6880 1 19 . 1 1 55 55 CYS CA C 458 61.284 61.284 59.951 1.333 17858 6881 1 19 . 1 1 55 55 CYS CB C 458 31.125 31.125 29.098 2.027 17858 6882 1 19 . 1 1 55 55 CYS H H 458 9.113 9.113 7.981 1.132 17858 6883 1 19 . 1 1 56 56 ARG N N 459 130.790 130.790 123.668 7.122 17858 6884 1 19 . 1 1 56 56 ARG HA H 459 3.875 3.875 4.263 -0.388 17858 6885 1 19 . 1 1 56 56 ARG CA C 459 58.610 58.610 57.886 0.724 17858 6886 1 19 . 1 1 56 56 ARG CB C 459 29.566 29.566 29.888 -0.322 17858 6887 1 19 . 1 1 56 56 ARG H H 459 8.601 8.601 8.724 -0.123 17858 6888 1 19 . 1 1 57 57 PHE N N 460 119.175 119.175 119.124 0.051 17858 6889 1 19 . 1 1 57 57 PHE HA H 460 4.560 4.560 4.383 0.177 17858 6890 1 19 . 1 1 57 57 PHE CA C 460 58.367 58.367 59.318 -0.951 17858 6891 1 19 . 1 1 57 57 PHE CB C 460 39.049 39.049 40.012 -0.963 17858 6892 1 19 . 1 1 57 57 PHE H H 460 8.589 8.589 7.863 0.726 17858 6893 1 19 . 1 1 58 58 GLY N N 461 107.317 107.317 106.139 1.178 17858 6894 1 19 . 1 1 58 58 GLY CA C 461 47.253 47.253 45.242 2.011 17858 6895 1 19 . 1 1 58 58 GLY H H 461 7.386 7.386 8.505 -1.119 17858 6896 1 19 . 1 1 59 59 VAL N N 462 120.829 120.829 118.848 1.981 17858 6897 1 19 . 1 1 59 59 VAL HA H 462 3.674 3.674 4.277 -0.603 17858 6898 1 19 . 1 1 59 59 VAL CA C 462 64.142 64.142 62.433 1.709 17858 6899 1 19 . 1 1 59 59 VAL CB C 462 32.275 32.275 31.964 0.311 17858 6900 1 19 . 1 1 59 59 VAL H H 462 8.881 8.881 8.364 0.517 17858 6901 1 19 . 1 1 60 60 ASN N N 463 114.923 114.923 117.077 -2.154 17858 6902 1 19 . 1 1 60 60 ASN HA H 463 4.667 4.667 4.710 -0.043 17858 6903 1 19 . 1 1 60 60 ASN CA C 463 53.316 53.316 54.115 -0.799 17858 6904 1 19 . 1 1 60 60 ASN CB C 463 39.355 39.355 39.141 0.214 17858 6905 1 19 . 1 1 60 60 ASN H H 463 7.819 7.819 7.979 -0.160 17858 6906 1 19 . 1 1 61 61 CYS N N 464 121.670 121.670 120.387 1.283 17858 6907 1 19 . 1 1 61 61 CYS HA H 464 3.770 3.770 3.791 -0.021 17858 6908 1 19 . 1 1 61 61 CYS CA C 464 61.725 61.725 59.985 1.740 17858 6909 1 19 . 1 1 61 61 CYS CB C 464 30.891 30.891 26.416 4.475 17858 6910 1 19 . 1 1 61 61 CYS H H 464 7.049 7.049 8.122 -1.073 17858 6911 1 19 . 1 1 62 62 LYS N N 465 131.072 131.072 126.020 5.052 17858 6912 1 19 . 1 1 62 62 LYS HA H 465 4.312 4.312 4.356 -0.044 17858 6913 1 19 . 1 1 62 62 LYS CA C 465 55.230 55.230 55.777 -0.547 17858 6914 1 19 . 1 1 62 62 LYS CB C 465 32.794 32.794 32.230 0.564 17858 6915 1 19 . 1 1 62 62 LYS H H 465 8.836 8.836 8.155 0.681 17858 6916 1 19 . 1 1 63 63 ASN N N 466 119.130 119.130 116.827 2.303 17858 6917 1 19 . 1 1 63 63 ASN HA H 466 4.596 4.596 4.524 0.072 17858 6918 1 19 . 1 1 63 63 ASN CA C 466 52.210 52.210 51.649 0.561 17858 6919 1 19 . 1 1 63 63 ASN CB C 466 38.827 38.827 39.756 -0.929 17858 6920 1 19 . 1 1 63 63 ASN H H 466 7.660 7.660 7.422 0.238 17858 6921 1 19 . 1 1 64 64 ILE N N 467 125.111 125.111 119.552 5.559 17858 6922 1 19 . 1 1 64 64 ILE HA H 467 3.539 3.539 4.191 -0.652 17858 6923 1 19 . 1 1 64 64 ILE CA C 467 64.493 64.493 61.036 3.457 17858 6924 1 19 . 1 1 64 64 ILE CB C 467 38.068 38.068 38.268 -0.200 17858 6925 1 19 . 1 1 64 64 ILE H H 467 8.475 8.475 7.813 0.662 17858 6926 1 19 . 1 1 65 65 TYR N N 468 118.920 118.920 117.468 1.452 17858 6927 1 19 . 1 1 65 65 TYR HA H 468 4.538 4.538 4.779 -0.241 17858 6928 1 19 . 1 1 65 65 TYR CA C 468 57.003 57.003 55.177 1.826 17858 6929 1 19 . 1 1 65 65 TYR CB C 468 37.716 37.716 36.812 0.904 17858 6930 1 19 . 1 1 65 65 TYR H H 468 7.462 7.462 7.050 0.412 17858 6931 1 19 . 1 1 66 66 CYS N N 469 122.658 122.658 121.426 1.232 17858 6932 1 19 . 1 1 66 66 CYS HA H 469 4.009 4.009 4.573 -0.564 17858 6933 1 19 . 1 1 66 66 CYS CA C 469 62.039 62.039 58.129 3.910 17858 6934 1 19 . 1 1 66 66 CYS CB C 469 31.455 31.455 28.402 3.053 17858 6935 1 19 . 1 1 66 66 CYS H H 469 7.305 7.305 8.226 -0.921 17858 6936 1 19 . 1 1 67 67 LEU N N 470 130.238 130.238 126.385 3.853 17858 6937 1 19 . 1 1 67 67 LEU HA H 470 4.353 4.353 4.385 -0.032 17858 6938 1 19 . 1 1 67 67 LEU CA C 470 55.947 55.947 54.339 1.608 17858 6939 1 19 . 1 1 67 67 LEU CB C 470 42.125 42.125 41.391 0.734 17858 6940 1 19 . 1 1 67 67 LEU H H 470 9.002 9.002 8.419 0.583 17858 6941 1 19 . 1 1 68 68 PHE N N 471 120.946 120.946 118.667 2.279 17858 6942 1 19 . 1 1 68 68 PHE HA H 471 4.576 4.576 4.602 -0.026 17858 6943 1 19 . 1 1 68 68 PHE CA C 471 59.242 59.242 55.232 4.010 17858 6944 1 19 . 1 1 68 68 PHE CB C 471 39.865 39.865 40.889 -1.024 17858 6945 1 19 . 1 1 68 68 PHE H H 471 8.519 8.519 7.086 1.433 17858 6946 1 19 . 1 1 69 69 ARG N N 472 116.975 116.975 119.905 -2.930 17858 6947 1 19 . 1 1 69 69 ARG HA H 472 4.331 4.331 4.362 -0.031 17858 6948 1 19 . 1 1 69 69 ARG CA C 472 56.933 56.933 53.914 3.018 17858 6949 1 19 . 1 1 69 69 ARG CB C 472 31.822 31.822 31.282 0.540 17858 6950 1 19 . 1 1 69 69 ARG H H 472 8.417 8.417 8.912 -0.495 17858 6951 1 19 . 1 1 70 70 HIS N N 473 118.809 118.809 122.490 -3.681 17858 6952 1 19 . 1 1 70 70 HIS HA H 473 4.991 4.991 4.845 0.146 17858 6953 1 19 . 1 1 70 70 HIS CA C 473 55.311 55.311 53.773 1.538 17858 6954 1 19 . 1 1 70 70 HIS CB C 473 30.613 30.613 30.672 -0.059 17858 6955 1 19 . 1 1 70 70 HIS H H 473 8.499 8.499 8.375 0.124 17858 6956 1 19 . 1 1 71 71 PRO HA H 474 4.742 4.742 4.554 0.188 17858 6957 1 19 . 1 1 71 71 PRO CA C 474 61.250 61.250 62.040 -0.790 17858 6958 1 19 . 1 1 71 71 PRO CB C 474 30.743 30.743 31.191 -0.448 17858 6959 1 19 . 1 1 72 72 PRO HA H 475 4.279 4.279 4.367 -0.088 17858 6960 1 19 . 1 1 72 72 PRO CA C 475 63.941 63.941 63.535 0.406 17858 6961 1 19 . 1 1 72 72 PRO CB C 475 32.122 32.122 31.401 0.722 17858 6962 1 19 . 1 1 73 73 GLY N N 476 106.525 106.525 112.094 -5.569 17858 6963 1 19 . 1 1 73 73 GLY CA C 476 45.142 45.142 44.828 0.314 17858 6964 1 19 . 1 1 73 73 GLY H H 476 8.359 8.359 8.809 -0.450 17858 6965 1 19 . 1 1 74 74 ARG N N 477 121.516 121.516 119.462 2.054 17858 6966 1 19 . 1 1 74 74 ARG HA H 477 4.223 4.223 4.456 -0.233 17858 6967 1 19 . 1 1 74 74 ARG CA C 477 57.021 57.021 55.623 1.398 17858 6968 1 19 . 1 1 74 74 ARG CB C 477 31.388 31.388 31.539 -0.151 17858 6969 1 19 . 1 1 74 74 ARG H H 477 7.255 7.255 7.731 -0.476 17858 6970 1 19 . 1 1 75 75 VAL N N 478 128.411 128.411 117.670 10.741 17858 6971 1 19 . 1 1 75 75 VAL HA H 478 4.054 4.054 4.235 -0.181 17858 6972 1 19 . 1 1 75 75 VAL CA C 478 61.925 61.925 62.288 -0.363 17858 6973 1 19 . 1 1 75 75 VAL CB C 478 33.788 33.788 33.545 0.243 17858 6974 1 19 . 1 1 75 75 VAL H H 478 8.569 8.569 8.250 0.319 17858 6975 1 19 . 1 1 76 76 LEU N N 479 127.195 127.195 122.206 4.989 17858 6976 1 19 . 1 1 76 76 LEU HA H 479 4.462 4.462 4.830 -0.368 17858 6977 1 19 . 1 1 76 76 LEU CA C 479 52.474 52.474 52.573 -0.099 17858 6978 1 19 . 1 1 76 76 LEU CB C 479 42.068 42.068 44.683 -2.615 17858 6979 1 19 . 1 1 76 76 LEU H H 479 8.338 8.338 8.433 -0.095 17858 6980 1 19 . 1 1 77 77 PRO HA H 480 4.251 4.251 4.476 -0.225 17858 6981 1 19 . 1 1 77 77 PRO CA C 480 63.072 63.072 62.860 0.212 17858 6982 1 19 . 1 1 77 77 PRO CB C 480 32.313 32.313 32.124 0.189 17858 6983 1 19 . 1 1 78 78 GLU N N 481 120.828 120.828 122.549 -1.721 17858 6984 1 19 . 1 1 78 78 GLU HA H 481 4.089 4.089 4.473 -0.384 17858 6985 1 19 . 1 1 78 78 GLU CA C 481 56.521 56.521 55.897 0.624 17858 6986 1 19 . 1 1 78 78 GLU CB C 481 31.032 31.032 31.312 -0.280 17858 6987 1 19 . 1 1 78 78 GLU H H 481 8.328 8.328 8.444 -0.116 17858 6988 1 19 . 1 1 79 79 LYS N N 482 123.778 123.778 123.598 0.180 17858 6989 1 19 . 1 1 79 79 LYS HA H 482 4.166 4.166 4.581 -0.415 17858 6990 1 19 . 1 1 79 79 LYS CA C 482 56.581 56.581 56.406 0.175 17858 6991 1 19 . 1 1 79 79 LYS CB C 482 33.279 33.279 33.243 0.036 17858 6992 1 19 . 1 1 79 79 LYS H H 482 8.332 8.332 8.617 -0.285 17858 6993 1 20 . 1 1 2 2 PRO HA H 405 4.356 4.356 4.929 -0.573 17858 6994 1 20 . 1 1 2 2 PRO CA C 405 63.329 63.329 62.503 0.826 17858 6995 1 20 . 1 1 2 2 PRO CB C 405 32.603 32.603 34.068 -1.465 17858 6996 1 20 . 1 1 3 3 LEU N N 406 122.497 122.497 123.301 -0.804 17858 6997 1 20 . 1 1 3 3 LEU HA H 406 4.231 4.231 4.634 -0.403 17858 6998 1 20 . 1 1 3 3 LEU CA C 406 55.838 55.838 55.232 0.606 17858 6999 1 20 . 1 1 3 3 LEU CB C 406 42.529 42.529 42.763 -0.234 17858 7000 1 20 . 1 1 3 3 LEU H H 406 8.571 8.571 8.349 0.222 17858 7001 1 20 . 1 1 4 4 GLY N N 407 110.132 110.132 108.891 1.241 17858 7002 1 20 . 1 1 4 4 GLY CA C 407 45.746 45.746 44.709 1.037 17858 7003 1 20 . 1 1 4 4 GLY H H 407 8.504 8.504 8.330 0.174 17858 7004 1 20 . 1 1 5 5 SER N N 408 114.820 114.820 113.557 1.263 17858 7005 1 20 . 1 1 5 5 SER HA H 408 4.321 4.321 4.576 -0.255 17858 7006 1 20 . 1 1 5 5 SER CA C 408 58.629 58.629 57.344 1.285 17858 7007 1 20 . 1 1 5 5 SER CB C 408 64.171 64.171 64.863 -0.692 17858 7008 1 20 . 1 1 5 5 SER H H 408 8.087 8.087 8.031 0.056 17858 7009 1 20 . 1 1 6 6 GLU N N 409 122.539 122.539 119.564 2.975 17858 7010 1 20 . 1 1 6 6 GLU HA H 409 4.137 4.137 4.486 -0.349 17858 7011 1 20 . 1 1 6 6 GLU CA C 409 57.076 57.076 56.632 0.444 17858 7012 1 20 . 1 1 6 6 GLU CB C 409 30.420 30.420 29.337 1.083 17858 7013 1 20 . 1 1 6 6 GLU H H 409 8.483 8.483 8.466 0.017 17858 7014 1 20 . 1 1 7 7 LYS N N 410 120.141 120.141 121.139 -0.998 17858 7015 1 20 . 1 1 7 7 LYS HA H 410 4.332 4.332 4.433 -0.101 17858 7016 1 20 . 1 1 7 7 LYS CA C 410 56.279 56.279 56.318 -0.039 17858 7017 1 20 . 1 1 7 7 LYS CB C 410 33.875 33.875 32.810 1.065 17858 7018 1 20 . 1 1 7 7 LYS H H 410 7.997 7.997 8.124 -0.127 17858 7019 1 20 . 1 1 8 8 SER N N 411 114.672 114.672 115.555 -0.883 17858 7020 1 20 . 1 1 8 8 SER HA H 411 4.542 4.542 4.704 -0.162 17858 7021 1 20 . 1 1 8 8 SER CA C 411 56.092 56.092 56.747 -0.655 17858 7022 1 20 . 1 1 8 8 SER CB C 411 65.009 65.009 64.203 0.807 17858 7023 1 20 . 1 1 8 8 SER H H 411 8.214 8.214 7.561 0.653 17858 7024 1 20 . 1 1 9 9 LEU N N 412 122.535 122.535 122.197 0.338 17858 7025 1 20 . 1 1 9 9 LEU HA H 412 3.938 3.938 4.548 -0.610 17858 7026 1 20 . 1 1 9 9 LEU CA C 412 55.495 55.495 53.919 1.576 17858 7027 1 20 . 1 1 9 9 LEU CB C 412 42.864 42.864 41.535 1.329 17858 7028 1 20 . 1 1 9 9 LEU H H 412 8.487 8.487 8.560 -0.073 17858 7029 1 20 . 1 1 10 10 GLU N N 413 121.582 121.582 118.952 2.630 17858 7030 1 20 . 1 1 10 10 GLU HA H 413 3.804 3.804 4.606 -0.802 17858 7031 1 20 . 1 1 10 10 GLU CA C 413 57.749 57.749 55.052 2.697 17858 7032 1 20 . 1 1 10 10 GLU CB C 413 29.807 29.807 32.235 -2.428 17858 7033 1 20 . 1 1 10 10 GLU H H 413 8.483 8.483 8.170 0.313 17858 7034 1 20 . 1 1 11 11 GLN N N 414 124.052 124.052 118.881 5.171 17858 7035 1 20 . 1 1 11 11 GLN HA H 414 3.768 3.768 4.868 -1.100 17858 7036 1 20 . 1 1 11 11 GLN CA C 414 55.415 55.415 54.711 0.705 17858 7037 1 20 . 1 1 11 11 GLN CB C 414 29.918 29.918 31.916 -1.998 17858 7038 1 20 . 1 1 11 11 GLN H H 414 8.475 8.475 8.550 -0.075 17858 7039 1 20 . 1 1 12 12 CYS N N 415 129.067 129.067 123.573 5.494 17858 7040 1 20 . 1 1 12 12 CYS HA H 415 3.668 3.668 4.163 -0.495 17858 7041 1 20 . 1 1 12 12 CYS CA C 415 61.173 61.173 60.685 0.488 17858 7042 1 20 . 1 1 12 12 CYS CB C 415 30.342 30.342 28.555 1.787 17858 7043 1 20 . 1 1 12 12 CYS H H 415 9.290 9.290 8.512 0.778 17858 7044 1 20 . 1 1 13 13 LYS N N 416 129.282 129.282 121.791 7.491 17858 7045 1 20 . 1 1 13 13 LYS HA H 416 3.814 3.814 4.734 -0.920 17858 7046 1 20 . 1 1 13 13 LYS CA C 416 58.772 58.772 57.309 1.463 17858 7047 1 20 . 1 1 13 13 LYS CB C 416 32.186 32.186 32.572 -0.386 17858 7048 1 20 . 1 1 13 13 LYS H H 416 8.623 8.623 8.701 -0.078 17858 7049 1 20 . 1 1 14 14 PHE N N 417 119.338 119.338 119.615 -0.277 17858 7050 1 20 . 1 1 14 14 PHE HA H 417 4.613 4.613 4.239 0.374 17858 7051 1 20 . 1 1 14 14 PHE CA C 417 58.971 58.971 59.358 -0.387 17858 7052 1 20 . 1 1 14 14 PHE CB C 417 39.352 39.352 39.545 -0.193 17858 7053 1 20 . 1 1 14 14 PHE H H 417 8.603 8.603 7.829 0.774 17858 7054 1 20 . 1 1 15 15 GLY N N 418 107.206 107.206 106.620 0.586 17858 7055 1 20 . 1 1 15 15 GLY CA C 418 47.937 47.937 45.948 1.989 17858 7056 1 20 . 1 1 15 15 GLY H H 418 7.472 7.472 8.560 -1.088 17858 7057 1 20 . 1 1 16 16 THR N N 419 117.234 117.234 117.756 -0.522 17858 7058 1 20 . 1 1 16 16 THR HA H 419 4.002 4.002 4.423 -0.420 17858 7059 1 20 . 1 1 16 16 THR CA C 419 63.842 63.842 62.464 1.378 17858 7060 1 20 . 1 1 16 16 THR CB C 419 68.778 68.778 68.334 0.444 17858 7061 1 20 . 1 1 16 16 THR H H 419 8.740 8.740 8.584 0.156 17858 7062 1 20 . 1 1 17 17 HIS N N 420 118.028 118.028 116.095 1.933 17858 7063 1 20 . 1 1 17 17 HIS HA H 420 4.581 4.581 4.857 -0.276 17858 7064 1 20 . 1 1 17 17 HIS CA C 420 55.612 55.612 53.937 1.675 17858 7065 1 20 . 1 1 17 17 HIS CB C 420 29.751 29.751 28.433 1.318 17858 7066 1 20 . 1 1 17 17 HIS H H 420 8.059 8.059 7.370 0.689 17858 7067 1 20 . 1 1 18 18 CYS N N 421 122.824 122.824 122.137 0.687 17858 7068 1 20 . 1 1 18 18 CYS HA H 421 3.849 3.849 4.177 -0.328 17858 7069 1 20 . 1 1 18 18 CYS CA C 421 61.733 61.733 60.848 0.885 17858 7070 1 20 . 1 1 18 18 CYS CB C 421 30.570 30.570 27.811 2.759 17858 7071 1 20 . 1 1 18 18 CYS H H 421 7.288 7.288 8.339 -1.051 17858 7072 1 20 . 1 1 19 19 THR N N 422 119.018 119.018 120.781 -1.763 17858 7073 1 20 . 1 1 19 19 THR HA H 422 4.348 4.348 4.476 -0.128 17858 7074 1 20 . 1 1 19 19 THR CA C 422 61.292 61.292 61.168 0.124 17858 7075 1 20 . 1 1 19 19 THR CB C 422 69.612 69.612 68.458 1.154 17858 7076 1 20 . 1 1 19 19 THR H H 422 8.435 8.435 8.026 0.409 17858 7077 1 20 . 1 1 20 20 ASN N N 423 121.923 121.923 119.833 2.090 17858 7078 1 20 . 1 1 20 20 ASN HA H 423 4.690 4.690 4.857 -0.167 17858 7079 1 20 . 1 1 20 20 ASN CA C 423 52.203 52.203 52.750 -0.547 17858 7080 1 20 . 1 1 20 20 ASN CB C 423 38.747 38.747 40.934 -2.187 17858 7081 1 20 . 1 1 20 20 ASN H H 423 7.924 7.924 7.847 0.077 17858 7082 1 20 . 1 1 21 21 LYS N N 424 127.775 127.775 122.939 4.836 17858 7083 1 20 . 1 1 21 21 LYS HA H 424 3.922 3.922 4.093 -0.171 17858 7084 1 20 . 1 1 21 21 LYS CA C 424 58.647 58.647 58.078 0.569 17858 7085 1 20 . 1 1 21 21 LYS CB C 424 32.289 32.289 32.901 -0.612 17858 7086 1 20 . 1 1 21 21 LYS H H 424 9.094 9.094 8.671 0.423 17858 7087 1 20 . 1 1 22 22 ARG N N 425 116.206 116.206 116.844 -0.638 17858 7088 1 20 . 1 1 22 22 ARG HA H 425 4.270 4.270 4.571 -0.301 17858 7089 1 20 . 1 1 22 22 ARG CA C 425 54.832 54.832 55.092 -0.260 17858 7090 1 20 . 1 1 22 22 ARG CB C 425 29.549 29.549 30.080 -0.531 17858 7091 1 20 . 1 1 22 22 ARG H H 425 7.825 7.825 7.760 0.065 17858 7092 1 20 . 1 1 23 23 CYS N N 426 123.387 123.387 121.177 2.210 17858 7093 1 20 . 1 1 23 23 CYS HA H 426 3.867 3.867 4.458 -0.591 17858 7094 1 20 . 1 1 23 23 CYS CA C 426 62.205 62.205 59.852 2.353 17858 7095 1 20 . 1 1 23 23 CYS CB C 426 30.940 30.940 28.829 2.111 17858 7096 1 20 . 1 1 23 23 CYS H H 426 7.273 7.273 8.259 -0.986 17858 7097 1 20 . 1 1 24 24 LYS N N 427 128.443 128.443 128.490 -0.047 17858 7098 1 20 . 1 1 24 24 LYS HA H 427 4.299 4.299 4.161 0.138 17858 7099 1 20 . 1 1 24 24 LYS CA C 427 57.047 57.047 55.175 1.872 17858 7100 1 20 . 1 1 24 24 LYS CB C 427 33.275 33.275 31.680 1.595 17858 7101 1 20 . 1 1 24 24 LYS H H 427 8.525 8.525 8.511 0.014 17858 7102 1 20 . 1 1 25 25 TYR N N 428 123.059 123.059 116.048 7.011 17858 7103 1 20 . 1 1 25 25 TYR HA H 428 4.569 4.569 4.488 0.081 17858 7104 1 20 . 1 1 25 25 TYR CA C 428 58.470 58.470 56.739 1.730 17858 7105 1 20 . 1 1 25 25 TYR CB C 428 39.830 39.830 41.250 -1.420 17858 7106 1 20 . 1 1 25 25 TYR H H 428 8.066 8.066 7.179 0.887 17858 7107 1 20 . 1 1 26 26 ARG N N 429 116.840 116.840 118.655 -1.815 17858 7108 1 20 . 1 1 26 26 ARG HA H 429 4.429 4.429 4.447 -0.018 17858 7109 1 20 . 1 1 26 26 ARG CA C 429 58.979 58.979 54.963 4.016 17858 7110 1 20 . 1 1 26 26 ARG CB C 429 33.073 33.073 32.027 1.046 17858 7111 1 20 . 1 1 26 26 ARG H H 429 8.275 8.275 8.652 -0.377 17858 7112 1 20 . 1 1 27 27 HIS N N 430 117.522 117.522 120.170 -2.648 17858 7113 1 20 . 1 1 27 27 HIS HA H 430 4.553 4.553 4.839 -0.286 17858 7114 1 20 . 1 1 27 27 HIS CA C 430 56.912 56.912 54.920 1.992 17858 7115 1 20 . 1 1 27 27 HIS CB C 430 30.715 30.715 32.868 -2.153 17858 7116 1 20 . 1 1 27 27 HIS H H 430 8.154 8.154 8.698 -0.544 17858 7117 1 20 . 1 1 28 28 ALA N N 431 126.087 126.087 126.898 -0.811 17858 7118 1 20 . 1 1 28 28 ALA HA H 431 4.106 4.106 4.359 -0.253 17858 7119 1 20 . 1 1 28 28 ALA CA C 431 51.833 51.833 52.328 -0.495 17858 7120 1 20 . 1 1 28 28 ALA CB C 431 18.291 18.291 19.206 -0.915 17858 7121 1 20 . 1 1 28 28 ALA H H 431 8.061 8.061 8.691 -0.630 17858 7122 1 20 . 1 1 29 29 ARG N N 432 121.538 121.538 122.292 -0.754 17858 7123 1 20 . 1 1 29 29 ARG HA H 432 4.280 4.280 4.573 -0.293 17858 7124 1 20 . 1 1 29 29 ARG CA C 432 55.492 55.492 56.080 -0.587 17858 7125 1 20 . 1 1 29 29 ARG CB C 432 31.353 31.353 30.744 0.609 17858 7126 1 20 . 1 1 29 29 ARG H H 432 8.630 8.630 8.842 -0.212 17858 7127 1 20 . 1 1 30 30 SER N N 433 112.439 112.439 113.909 -1.470 17858 7128 1 20 . 1 1 30 30 SER HA H 433 4.463 4.463 4.457 0.006 17858 7129 1 20 . 1 1 30 30 SER CA C 433 56.566 56.566 57.414 -0.848 17858 7130 1 20 . 1 1 30 30 SER CB C 433 64.803 64.803 64.359 0.444 17858 7131 1 20 . 1 1 30 30 SER H H 433 7.450 7.450 7.691 -0.241 17858 7132 1 20 . 1 1 31 31 HIS N N 434 121.494 121.494 121.934 -0.440 17858 7133 1 20 . 1 1 31 31 HIS HA H 434 4.279 4.279 4.357 -0.078 17858 7134 1 20 . 1 1 31 31 HIS CA C 434 56.955 56.955 54.585 2.370 17858 7135 1 20 . 1 1 31 31 HIS CB C 434 29.834 29.834 26.945 2.889 17858 7136 1 20 . 1 1 31 31 HIS H H 434 8.132 8.132 8.456 -0.324 17858 7137 1 20 . 1 1 32 32 ILE N N 435 123.851 123.851 123.460 0.391 17858 7138 1 20 . 1 1 32 32 ILE HA H 435 3.506 3.506 3.878 -0.372 17858 7139 1 20 . 1 1 32 32 ILE CA C 435 61.345 61.345 59.960 1.385 17858 7140 1 20 . 1 1 32 32 ILE CB C 435 37.765 37.765 38.596 -0.831 17858 7141 1 20 . 1 1 32 32 ILE H H 435 7.858 7.858 7.804 0.054 17858 7142 1 20 . 1 1 33 33 MET N N 436 125.294 125.294 125.140 0.154 17858 7143 1 20 . 1 1 33 33 MET HA H 436 4.050 4.050 4.828 -0.778 17858 7144 1 20 . 1 1 33 33 MET CA C 436 54.733 54.733 55.033 -0.300 17858 7145 1 20 . 1 1 33 33 MET CB C 436 31.934 31.934 33.062 -1.128 17858 7146 1 20 . 1 1 33 33 MET H H 436 8.317 8.317 8.108 0.209 17858 7147 1 20 . 1 1 34 34 CYS N N 437 127.958 127.958 123.199 4.759 17858 7148 1 20 . 1 1 34 34 CYS HA H 437 3.389 3.389 4.844 -1.455 17858 7149 1 20 . 1 1 34 34 CYS CA C 437 61.544 61.544 59.438 2.106 17858 7150 1 20 . 1 1 34 34 CYS CB C 437 31.325 31.325 29.583 1.742 17858 7151 1 20 . 1 1 34 34 CYS H H 437 9.255 9.255 8.370 0.885 17858 7152 1 20 . 1 1 35 35 ARG N N 438 131.582 131.582 126.771 4.811 17858 7153 1 20 . 1 1 35 35 ARG HA H 438 3.887 3.887 4.173 -0.286 17858 7154 1 20 . 1 1 35 35 ARG CA C 438 59.466 59.466 58.844 0.621 17858 7155 1 20 . 1 1 35 35 ARG CB C 438 30.251 30.251 30.024 0.227 17858 7156 1 20 . 1 1 35 35 ARG H H 438 8.645 8.645 9.097 -0.452 17858 7157 1 20 . 1 1 36 36 GLU N N 439 117.530 117.530 117.836 -0.306 17858 7158 1 20 . 1 1 36 36 GLU HA H 439 4.284 4.284 4.371 -0.087 17858 7159 1 20 . 1 1 36 36 GLU CA C 439 57.440 57.440 56.044 1.396 17858 7160 1 20 . 1 1 36 36 GLU CB C 439 30.295 30.295 29.463 0.832 17858 7161 1 20 . 1 1 36 36 GLU H H 439 8.302 8.302 8.062 0.240 17858 7162 1 20 . 1 1 37 37 GLY N N 440 107.589 107.589 108.928 -1.339 17858 7163 1 20 . 1 1 37 37 GLY CA C 440 47.353 47.353 45.717 1.636 17858 7164 1 20 . 1 1 37 37 GLY H H 440 7.518 7.518 8.048 -0.530 17858 7165 1 20 . 1 1 38 38 ALA N N 441 126.673 126.673 125.480 1.193 17858 7166 1 20 . 1 1 38 38 ALA HA H 441 4.180 4.180 4.208 -0.028 17858 7167 1 20 . 1 1 38 38 ALA CA C 441 53.717 53.717 52.974 0.743 17858 7168 1 20 . 1 1 38 38 ALA CB C 441 19.127 19.127 18.395 0.732 17858 7169 1 20 . 1 1 38 38 ALA H H 441 9.114 9.114 8.478 0.636 17858 7170 1 20 . 1 1 39 39 ASN N N 442 113.951 113.951 115.408 -1.457 17858 7171 1 20 . 1 1 39 39 ASN HA H 442 4.655 4.655 4.784 -0.129 17858 7172 1 20 . 1 1 39 39 ASN CA C 442 52.940 52.940 53.723 -0.783 17858 7173 1 20 . 1 1 39 39 ASN CB C 442 39.264 39.264 39.816 -0.551 17858 7174 1 20 . 1 1 39 39 ASN H H 442 8.072 8.072 7.773 0.299 17858 7175 1 20 . 1 1 40 40 CYS N N 443 122.245 122.245 120.792 1.453 17858 7176 1 20 . 1 1 40 40 CYS HA H 443 4.070 4.070 4.223 -0.153 17858 7177 1 20 . 1 1 40 40 CYS CA C 443 60.661 60.661 60.257 0.404 17858 7178 1 20 . 1 1 40 40 CYS CB C 443 31.037 31.037 27.966 3.071 17858 7179 1 20 . 1 1 40 40 CYS H H 443 7.237 7.237 7.244 -0.007 17858 7180 1 20 . 1 1 41 41 THR N N 444 120.684 120.684 116.529 4.155 17858 7181 1 20 . 1 1 41 41 THR HA H 444 4.411 4.411 4.341 0.070 17858 7182 1 20 . 1 1 41 41 THR CA C 444 61.110 61.110 61.081 0.029 17858 7183 1 20 . 1 1 41 41 THR CB C 444 68.937 68.937 68.401 0.536 17858 7184 1 20 . 1 1 41 41 THR H H 444 9.033 9.033 8.253 0.780 17858 7185 1 20 . 1 1 42 42 ARG N N 445 123.977 123.977 122.121 1.856 17858 7186 1 20 . 1 1 42 42 ARG HA H 445 4.329 4.329 4.532 -0.203 17858 7187 1 20 . 1 1 42 42 ARG CA C 445 56.416 56.416 54.856 1.560 17858 7188 1 20 . 1 1 42 42 ARG CB C 445 30.604 30.604 32.152 -1.548 17858 7189 1 20 . 1 1 42 42 ARG H H 445 7.927 7.927 7.287 0.640 17858 7190 1 20 . 1 1 43 43 ILE N N 446 132.203 132.203 125.074 7.129 17858 7191 1 20 . 1 1 43 43 ILE HA H 446 3.609 3.609 4.251 -0.642 17858 7192 1 20 . 1 1 43 43 ILE CA C 446 63.023 63.023 62.386 0.637 17858 7193 1 20 . 1 1 43 43 ILE CB C 446 38.463 38.463 38.683 -0.220 17858 7194 1 20 . 1 1 43 43 ILE H H 446 9.010 9.010 8.693 0.317 17858 7195 1 20 . 1 1 44 44 ASP N N 447 116.309 116.309 118.838 -2.529 17858 7196 1 20 . 1 1 44 44 ASP HA H 447 4.555 4.555 4.648 -0.093 17858 7197 1 20 . 1 1 44 44 ASP CA C 447 52.727 52.727 53.604 -0.877 17858 7198 1 20 . 1 1 44 44 ASP CB C 447 40.177 40.177 40.246 -0.070 17858 7199 1 20 . 1 1 44 44 ASP H H 447 8.191 8.191 8.092 0.099 17858 7200 1 20 . 1 1 45 45 CYS N N 448 121.173 121.173 119.619 1.554 17858 7201 1 20 . 1 1 45 45 CYS HA H 448 3.913 3.913 4.202 -0.289 17858 7202 1 20 . 1 1 45 45 CYS CA C 448 62.082 62.082 59.699 2.383 17858 7203 1 20 . 1 1 45 45 CYS CB C 448 31.510 31.510 26.947 4.563 17858 7204 1 20 . 1 1 45 45 CYS H H 448 7.113 7.113 8.179 -1.066 17858 7205 1 20 . 1 1 46 46 LEU N N 449 128.150 128.150 127.878 0.272 17858 7206 1 20 . 1 1 46 46 LEU HA H 449 4.657 4.657 4.579 0.078 17858 7207 1 20 . 1 1 46 46 LEU CA C 449 55.144 55.144 54.386 0.758 17858 7208 1 20 . 1 1 46 46 LEU CB C 449 43.004 43.004 41.470 1.534 17858 7209 1 20 . 1 1 46 46 LEU H H 449 8.451 8.451 8.249 0.202 17858 7210 1 20 . 1 1 47 47 PHE N N 450 120.646 120.646 118.617 2.029 17858 7211 1 20 . 1 1 47 47 PHE HA H 450 4.527 4.527 4.777 -0.250 17858 7212 1 20 . 1 1 47 47 PHE CA C 450 58.198 58.198 54.450 3.748 17858 7213 1 20 . 1 1 47 47 PHE CB C 450 39.901 39.901 41.482 -1.581 17858 7214 1 20 . 1 1 47 47 PHE H H 450 8.390 8.390 7.073 1.317 17858 7215 1 20 . 1 1 48 48 GLY N N 451 104.118 104.118 108.970 -4.852 17858 7216 1 20 . 1 1 48 48 GLY CA C 451 47.675 47.675 45.086 2.589 17858 7217 1 20 . 1 1 48 48 GLY H H 451 8.643 8.643 8.574 0.069 17858 7218 1 20 . 1 1 49 49 HIS N N 452 119.710 119.710 124.871 -5.161 17858 7219 1 20 . 1 1 49 49 HIS HA H 452 4.725 4.725 4.854 -0.129 17858 7220 1 20 . 1 1 49 49 HIS CA C 452 54.408 54.408 52.873 1.535 17858 7221 1 20 . 1 1 49 49 HIS CB C 452 29.515 29.515 32.031 -2.516 17858 7222 1 20 . 1 1 49 49 HIS H H 452 6.951 6.951 8.207 -1.256 17858 7223 1 20 . 1 1 50 50 PRO HA H 453 4.291 4.291 4.455 -0.164 17858 7224 1 20 . 1 1 50 50 PRO CA C 453 63.872 63.872 63.119 0.753 17858 7225 1 20 . 1 1 50 50 PRO CB C 453 32.724 32.724 32.625 0.099 17858 7226 1 20 . 1 1 51 51 ILE N N 454 122.942 122.942 118.306 4.636 17858 7227 1 20 . 1 1 51 51 ILE HA H 454 3.787 3.787 4.268 -0.481 17858 7228 1 20 . 1 1 51 51 ILE CA C 454 61.010 61.010 60.045 0.965 17858 7229 1 20 . 1 1 51 51 ILE CB C 454 40.204 40.204 42.883 -2.679 17858 7230 1 20 . 1 1 51 51 ILE H H 454 8.189 8.189 7.970 0.219 17858 7231 1 20 . 1 1 52 52 ASN N N 455 128.496 128.496 124.219 4.277 17858 7232 1 20 . 1 1 52 52 ASN HA H 455 4.641 4.641 4.686 -0.045 17858 7233 1 20 . 1 1 52 52 ASN CA C 455 52.832 52.832 53.674 -0.842 17858 7234 1 20 . 1 1 52 52 ASN CB C 455 36.969 36.969 38.192 -1.223 17858 7235 1 20 . 1 1 52 52 ASN H H 455 8.791 8.791 8.608 0.183 17858 7236 1 20 . 1 1 53 53 GLU N N 456 120.059 120.059 122.148 -2.089 17858 7237 1 20 . 1 1 53 53 GLU HA H 456 4.318 4.318 4.448 -0.130 17858 7238 1 20 . 1 1 53 53 GLU CA C 456 55.588 55.588 55.056 0.532 17858 7239 1 20 . 1 1 53 53 GLU CB C 456 33.826 33.826 34.082 -0.256 17858 7240 1 20 . 1 1 53 53 GLU H H 456 8.177 8.177 8.282 -0.105 17858 7241 1 20 . 1 1 54 54 ASP N N 457 124.404 124.404 121.942 2.462 17858 7242 1 20 . 1 1 54 54 ASP HA H 457 4.446 4.446 5.144 -0.698 17858 7243 1 20 . 1 1 54 54 ASP CA C 457 55.594 55.594 52.788 2.806 17858 7244 1 20 . 1 1 54 54 ASP CB C 457 41.033 41.033 41.482 -0.449 17858 7245 1 20 . 1 1 54 54 ASP H H 457 8.923 8.923 8.348 0.575 17858 7246 1 20 . 1 1 55 55 CYS N N 458 125.765 125.765 124.230 1.535 17858 7247 1 20 . 1 1 55 55 CYS HA H 458 3.360 3.360 4.440 -1.080 17858 7248 1 20 . 1 1 55 55 CYS CA C 458 61.284 61.284 60.126 1.159 17858 7249 1 20 . 1 1 55 55 CYS CB C 458 31.125 31.125 29.098 2.027 17858 7250 1 20 . 1 1 55 55 CYS H H 458 9.113 9.113 8.174 0.939 17858 7251 1 20 . 1 1 56 56 ARG N N 459 130.790 130.790 123.381 7.409 17858 7252 1 20 . 1 1 56 56 ARG HA H 459 3.875 3.875 4.190 -0.315 17858 7253 1 20 . 1 1 56 56 ARG CA C 459 58.610 58.610 58.036 0.574 17858 7254 1 20 . 1 1 56 56 ARG CB C 459 29.566 29.566 30.022 -0.456 17858 7255 1 20 . 1 1 56 56 ARG H H 459 8.601 8.601 8.809 -0.208 17858 7256 1 20 . 1 1 57 57 PHE N N 460 119.175 119.175 118.447 0.728 17858 7257 1 20 . 1 1 57 57 PHE HA H 460 4.560 4.560 4.433 0.127 17858 7258 1 20 . 1 1 57 57 PHE CA C 460 58.367 58.367 59.139 -0.772 17858 7259 1 20 . 1 1 57 57 PHE CB C 460 39.049 39.049 39.737 -0.688 17858 7260 1 20 . 1 1 57 57 PHE H H 460 8.589 8.589 8.014 0.575 17858 7261 1 20 . 1 1 58 58 GLY N N 461 107.317 107.317 106.322 0.995 17858 7262 1 20 . 1 1 58 58 GLY CA C 461 47.253 47.253 45.324 1.929 17858 7263 1 20 . 1 1 58 58 GLY H H 461 7.386 7.386 8.534 -1.148 17858 7264 1 20 . 1 1 59 59 VAL N N 462 120.829 120.829 118.136 2.693 17858 7265 1 20 . 1 1 59 59 VAL HA H 462 3.674 3.674 4.324 -0.650 17858 7266 1 20 . 1 1 59 59 VAL CA C 462 64.142 64.142 62.646 1.496 17858 7267 1 20 . 1 1 59 59 VAL CB C 462 32.275 32.275 31.904 0.372 17858 7268 1 20 . 1 1 59 59 VAL H H 462 8.881 8.881 8.321 0.560 17858 7269 1 20 . 1 1 60 60 ASN N N 463 114.923 114.923 117.868 -2.945 17858 7270 1 20 . 1 1 60 60 ASN HA H 463 4.667 4.667 4.741 -0.074 17858 7271 1 20 . 1 1 60 60 ASN CA C 463 53.316 53.316 53.730 -0.414 17858 7272 1 20 . 1 1 60 60 ASN CB C 463 39.355 39.355 38.783 0.572 17858 7273 1 20 . 1 1 60 60 ASN H H 463 7.819 7.819 8.294 -0.475 17858 7274 1 20 . 1 1 61 61 CYS N N 464 121.670 121.670 121.071 0.599 17858 7275 1 20 . 1 1 61 61 CYS HA H 464 3.770 3.770 3.796 -0.026 17858 7276 1 20 . 1 1 61 61 CYS CA C 464 61.725 61.725 60.054 1.671 17858 7277 1 20 . 1 1 61 61 CYS CB C 464 30.891 30.891 26.471 4.420 17858 7278 1 20 . 1 1 61 61 CYS H H 464 7.049 7.049 8.222 -1.173 17858 7279 1 20 . 1 1 62 62 LYS N N 465 131.072 131.072 126.341 4.731 17858 7280 1 20 . 1 1 62 62 LYS HA H 465 4.312 4.312 4.364 -0.052 17858 7281 1 20 . 1 1 62 62 LYS CA C 465 55.230 55.230 55.872 -0.642 17858 7282 1 20 . 1 1 62 62 LYS CB C 465 32.794 32.794 32.329 0.465 17858 7283 1 20 . 1 1 62 62 LYS H H 465 8.836 8.836 8.217 0.619 17858 7284 1 20 . 1 1 63 63 ASN N N 466 119.130 119.130 117.195 1.935 17858 7285 1 20 . 1 1 63 63 ASN HA H 466 4.596 4.596 4.469 0.127 17858 7286 1 20 . 1 1 63 63 ASN CA C 466 52.210 52.210 52.093 0.117 17858 7287 1 20 . 1 1 63 63 ASN CB C 466 38.827 38.827 39.491 -0.664 17858 7288 1 20 . 1 1 63 63 ASN H H 466 7.660 7.660 7.545 0.115 17858 7289 1 20 . 1 1 64 64 ILE N N 467 125.111 125.111 117.850 7.261 17858 7290 1 20 . 1 1 64 64 ILE HA H 467 3.539 3.539 4.177 -0.638 17858 7291 1 20 . 1 1 64 64 ILE CA C 467 64.493 64.493 60.846 3.647 17858 7292 1 20 . 1 1 64 64 ILE CB C 467 38.068 38.068 37.989 0.079 17858 7293 1 20 . 1 1 64 64 ILE H H 467 8.475 8.475 7.375 1.100 17858 7294 1 20 . 1 1 65 65 TYR N N 468 118.920 118.920 116.672 2.248 17858 7295 1 20 . 1 1 65 65 TYR HA H 468 4.538 4.538 4.731 -0.193 17858 7296 1 20 . 1 1 65 65 TYR CA C 468 57.003 57.003 54.476 2.527 17858 7297 1 20 . 1 1 65 65 TYR CB C 468 37.716 37.716 36.830 0.886 17858 7298 1 20 . 1 1 65 65 TYR H H 468 7.462 7.462 7.026 0.436 17858 7299 1 20 . 1 1 66 66 CYS N N 469 122.658 122.658 121.355 1.303 17858 7300 1 20 . 1 1 66 66 CYS HA H 469 4.009 4.009 4.550 -0.541 17858 7301 1 20 . 1 1 66 66 CYS CA C 469 62.039 62.039 58.048 3.991 17858 7302 1 20 . 1 1 66 66 CYS CB C 469 31.455 31.455 28.509 2.946 17858 7303 1 20 . 1 1 66 66 CYS H H 469 7.305 7.305 8.225 -0.920 17858 7304 1 20 . 1 1 67 67 LEU N N 470 130.238 130.238 126.705 3.533 17858 7305 1 20 . 1 1 67 67 LEU HA H 470 4.353 4.353 4.507 -0.154 17858 7306 1 20 . 1 1 67 67 LEU CA C 470 55.947 55.947 54.178 1.769 17858 7307 1 20 . 1 1 67 67 LEU CB C 470 42.125 42.125 41.432 0.693 17858 7308 1 20 . 1 1 67 67 LEU H H 470 9.002 9.002 8.378 0.624 17858 7309 1 20 . 1 1 68 68 PHE N N 471 120.946 120.946 118.465 2.481 17858 7310 1 20 . 1 1 68 68 PHE HA H 471 4.576 4.576 4.623 -0.047 17858 7311 1 20 . 1 1 68 68 PHE CA C 471 59.242 59.242 55.164 4.078 17858 7312 1 20 . 1 1 68 68 PHE CB C 471 39.865 39.865 40.604 -0.739 17858 7313 1 20 . 1 1 68 68 PHE H H 471 8.519 8.519 7.086 1.433 17858 7314 1 20 . 1 1 69 69 ARG N N 472 116.975 116.975 120.732 -3.757 17858 7315 1 20 . 1 1 69 69 ARG HA H 472 4.331 4.331 4.359 -0.028 17858 7316 1 20 . 1 1 69 69 ARG CA C 472 56.933 56.933 55.020 1.913 17858 7317 1 20 . 1 1 69 69 ARG CB C 472 31.822 31.822 31.957 -0.135 17858 7318 1 20 . 1 1 69 69 ARG H H 472 8.417 8.417 8.266 0.151 17858 7319 1 20 . 1 1 70 70 HIS N N 473 118.809 118.809 121.783 -2.974 17858 7320 1 20 . 1 1 70 70 HIS HA H 473 4.991 4.991 4.866 0.125 17858 7321 1 20 . 1 1 70 70 HIS CA C 473 55.311 55.311 53.673 1.638 17858 7322 1 20 . 1 1 70 70 HIS CB C 473 30.613 30.613 31.038 -0.425 17858 7323 1 20 . 1 1 70 70 HIS H H 473 8.499 8.499 8.454 0.045 17858 7324 1 20 . 1 1 71 71 PRO HA H 474 4.742 4.742 4.592 0.150 17858 7325 1 20 . 1 1 71 71 PRO CA C 474 61.250 61.250 62.080 -0.830 17858 7326 1 20 . 1 1 71 71 PRO CB C 474 30.743 30.743 31.264 -0.521 17858 7327 1 20 . 1 1 72 72 PRO HA H 475 4.279 4.279 4.436 -0.157 17858 7328 1 20 . 1 1 72 72 PRO CA C 475 63.941 63.941 63.122 0.819 17858 7329 1 20 . 1 1 72 72 PRO CB C 475 32.122 32.122 31.650 0.472 17858 7330 1 20 . 1 1 73 73 GLY N N 476 106.525 106.525 111.717 -5.192 17858 7331 1 20 . 1 1 73 73 GLY CA C 476 45.142 45.142 44.810 0.332 17858 7332 1 20 . 1 1 73 73 GLY H H 476 8.359 8.359 8.734 -0.375 17858 7333 1 20 . 1 1 74 74 ARG N N 477 121.516 121.516 119.462 2.054 17858 7334 1 20 . 1 1 74 74 ARG HA H 477 4.223 4.223 4.506 -0.283 17858 7335 1 20 . 1 1 74 74 ARG CA C 477 57.021 57.021 55.541 1.480 17858 7336 1 20 . 1 1 74 74 ARG CB C 477 31.388 31.388 31.748 -0.360 17858 7337 1 20 . 1 1 74 74 ARG H H 477 7.255 7.255 7.785 -0.530 17858 7338 1 20 . 1 1 75 75 VAL N N 478 128.411 128.411 118.032 10.379 17858 7339 1 20 . 1 1 75 75 VAL HA H 478 4.054 4.054 4.387 -0.333 17858 7340 1 20 . 1 1 75 75 VAL CA C 478 61.925 61.925 61.589 0.336 17858 7341 1 20 . 1 1 75 75 VAL CB C 478 33.788 33.788 33.063 0.725 17858 7342 1 20 . 1 1 75 75 VAL H H 478 8.569 8.569 8.403 0.166 17858 7343 1 20 . 1 1 76 76 LEU N N 479 127.195 127.195 122.431 4.764 17858 7344 1 20 . 1 1 76 76 LEU HA H 479 4.462 4.462 4.763 -0.301 17858 7345 1 20 . 1 1 76 76 LEU CA C 479 52.474 52.474 52.494 -0.020 17858 7346 1 20 . 1 1 76 76 LEU CB C 479 42.068 42.068 44.181 -2.113 17858 7347 1 20 . 1 1 76 76 LEU H H 479 8.338 8.338 8.118 0.220 17858 7348 1 20 . 1 1 77 77 PRO HA H 480 4.251 4.251 4.427 -0.176 17858 7349 1 20 . 1 1 77 77 PRO CA C 480 63.072 63.072 63.011 0.061 17858 7350 1 20 . 1 1 77 77 PRO CB C 480 32.313 32.313 31.791 0.522 17858 7351 1 20 . 1 1 78 78 GLU N N 481 120.828 120.828 123.323 -2.495 17858 7352 1 20 . 1 1 78 78 GLU HA H 481 4.089 4.089 4.460 -0.371 17858 7353 1 20 . 1 1 78 78 GLU CA C 481 56.521 56.521 56.775 -0.254 17858 7354 1 20 . 1 1 78 78 GLU CB C 481 31.032 31.032 31.048 -0.016 17858 7355 1 20 . 1 1 78 78 GLU H H 481 8.328 8.328 8.556 -0.228 17858 7356 1 20 . 1 1 79 79 LYS N N 482 123.778 123.778 123.780 -0.002 17858 7357 1 20 . 1 1 79 79 LYS HA H 482 4.166 4.166 4.540 -0.374 17858 7358 1 20 . 1 1 79 79 LYS CA C 482 56.581 56.581 56.584 -0.003 17858 7359 1 20 . 1 1 79 79 LYS CB C 482 33.279 33.279 33.240 0.039 17858 7360 1 20 . 1 1 79 79 LYS H H 482 8.332 8.332 8.474 -0.142 17858 stop_ loop_ _SPARTA_output.Data_ID _SPARTA_output.Entity_delta_chem_shifts_ID _SPARTA_output.Conformer_ID _SPARTA_output.Data_type _SPARTA_output.Data_atom _SPARTA_output.Data_num_shifts _SPARTA_output.Data_value _SPARTA_output.Data_low_range _SPARTA_output.Data_high_range _SPARTA_output.Entry_ID 1 1 1 "Average Difference" N 73 3.709 -1.276 3.507 17858 2 1 1 "Average Difference" HA 84 0.405 0.229 0.336 17858 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 17858 4 1 1 "Average Difference" CA 78 1.578 -1.025 1.208 17858 5 1 1 "Average Difference" CB 72 1.499 -0.155 1.502 17858 6 1 1 "Average Difference" HN 73 0.572 -0.047 0.574 17858 7 1 2 "Average Difference" N 73 3.987 -1.409 3.755 17858 8 1 2 "Average Difference" HA 84 0.418 0.246 0.340 17858 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 17858 10 1 2 "Average Difference" CA 78 1.643 -1.056 1.267 17858 11 1 2 "Average Difference" CB 72 1.634 -0.119 1.641 17858 12 1 2 "Average Difference" HN 73 0.593 -0.052 0.594 17858 13 1 3 "Average Difference" N 73 3.942 -1.306 3.745 17858 14 1 3 "Average Difference" HA 84 0.388 0.210 0.328 17858 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 17858 16 1 3 "Average Difference" CA 78 1.621 -0.998 1.286 17858 17 1 3 "Average Difference" CB 72 1.477 -0.191 1.475 17858 18 1 3 "Average Difference" HN 73 0.586 -0.050 0.588 17858 19 1 4 "Average Difference" N 73 3.785 -1.421 3.533 17858 20 1 4 "Average Difference" HA 84 0.406 0.221 0.343 17858 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 17858 22 1 4 "Average Difference" CA 78 1.684 -1.055 1.321 17858 23 1 4 "Average Difference" CB 72 1.580 -0.200 1.578 17858 24 1 4 "Average Difference" HN 73 0.616 -0.069 0.616 17858 25 1 5 "Average Difference" N 73 3.753 -1.279 3.553 17858 26 1 5 "Average Difference" HA 84 0.391 0.219 0.326 17858 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 17858 28 1 5 "Average Difference" CA 78 1.548 -0.957 1.224 17858 29 1 5 "Average Difference" CB 72 1.477 -0.216 1.471 17858 30 1 5 "Average Difference" HN 73 0.595 -0.049 0.597 17858 31 1 6 "Average Difference" N 73 3.893 -1.282 3.702 17858 32 1 6 "Average Difference" HA 84 0.394 0.197 0.343 17858 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 17858 34 1 6 "Average Difference" CA 78 1.550 -0.940 1.241 17858 35 1 6 "Average Difference" CB 72 1.569 -0.235 1.562 17858 36 1 6 "Average Difference" HN 73 0.574 -0.037 0.577 17858 37 1 7 "Average Difference" N 73 4.048 -1.163 3.904 17858 38 1 7 "Average Difference" HA 84 0.407 0.225 0.341 17858 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 17858 40 1 7 "Average Difference" CA 78 1.581 -0.972 1.255 17858 41 1 7 "Average Difference" CB 72 1.580 -0.134 1.586 17858 42 1 7 "Average Difference" HN 73 0.567 -0.018 0.570 17858 43 1 8 "Average Difference" N 73 3.685 -1.312 3.467 17858 44 1 8 "Average Difference" HA 84 0.413 0.230 0.345 17858 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 17858 46 1 8 "Average Difference" CA 78 1.646 -1.013 1.306 17858 47 1 8 "Average Difference" CB 72 1.573 -0.157 1.576 17858 48 1 8 "Average Difference" HN 73 0.593 -0.043 0.596 17858 49 1 9 "Average Difference" N 73 3.696 -1.253 3.501 17858 50 1 9 "Average Difference" HA 84 0.419 0.239 0.346 17858 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 17858 52 1 9 "Average Difference" CA 78 1.606 -1.013 1.254 17858 53 1 9 "Average Difference" CB 72 1.583 -0.179 1.584 17858 54 1 9 "Average Difference" HN 73 0.581 -0.027 0.585 17858 55 1 10 "Average Difference" N 73 3.605 -1.268 3.398 17858 56 1 10 "Average Difference" HA 84 0.422 0.227 0.358 17858 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 17858 58 1 10 "Average Difference" CA 78 1.647 -1.014 1.307 17858 59 1 10 "Average Difference" CB 72 1.609 -0.224 1.604 17858 60 1 10 "Average Difference" HN 73 0.594 -0.051 0.596 17858 61 1 11 "Average Difference" N 73 3.825 -1.255 3.638 17858 62 1 11 "Average Difference" HA 84 0.388 0.199 0.334 17858 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 17858 64 1 11 "Average Difference" CA 78 1.653 -1.004 1.322 17858 65 1 11 "Average Difference" CB 72 1.530 -0.288 1.513 17858 66 1 11 "Average Difference" HN 73 0.601 -0.043 0.603 17858 67 1 12 "Average Difference" N 73 3.629 -1.225 3.440 17858 68 1 12 "Average Difference" HA 84 0.431 0.233 0.365 17858 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 17858 70 1 12 "Average Difference" CA 78 1.669 -1.017 1.331 17858 71 1 12 "Average Difference" CB 72 1.580 -0.145 1.584 17858 72 1 12 "Average Difference" HN 73 0.571 -0.004 0.575 17858 73 1 13 "Average Difference" N 73 3.793 -1.327 3.578 17858 74 1 13 "Average Difference" HA 84 0.422 0.245 0.346 17858 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 17858 76 1 13 "Average Difference" CA 78 1.730 -1.097 1.347 17858 77 1 13 "Average Difference" CB 72 1.538 -0.191 1.537 17858 78 1 13 "Average Difference" HN 73 0.604 -0.054 0.606 17858 79 1 14 "Average Difference" N 73 3.559 -1.269 3.348 17858 80 1 14 "Average Difference" HA 84 0.410 0.227 0.344 17858 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 17858 82 1 14 "Average Difference" CA 78 1.666 -1.047 1.304 17858 83 1 14 "Average Difference" CB 72 1.557 -0.266 1.545 17858 84 1 14 "Average Difference" HN 73 0.608 -0.047 0.610 17858 85 1 15 "Average Difference" N 73 3.639 -1.379 3.391 17858 86 1 15 "Average Difference" HA 84 0.412 0.220 0.350 17858 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 17858 88 1 15 "Average Difference" CA 78 1.703 -1.042 1.356 17858 89 1 15 "Average Difference" CB 72 1.510 -0.156 1.512 17858 90 1 15 "Average Difference" HN 73 0.585 -0.057 0.586 17858 91 1 16 "Average Difference" N 73 3.579 -1.184 3.401 17858 92 1 16 "Average Difference" HA 84 0.424 0.247 0.346 17858 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 17858 94 1 16 "Average Difference" CA 78 1.691 -1.105 1.288 17858 95 1 16 "Average Difference" CB 72 1.561 -0.188 1.561 17858 96 1 16 "Average Difference" HN 73 0.594 -0.052 0.596 17858 97 1 17 "Average Difference" N 73 3.664 -1.254 3.467 17858 98 1 17 "Average Difference" HA 84 0.403 0.230 0.333 17858 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 17858 100 1 17 "Average Difference" CA 78 1.668 -1.028 1.322 17858 101 1 17 "Average Difference" CB 72 1.464 -0.267 1.450 17858 102 1 17 "Average Difference" HN 73 0.587 -0.045 0.589 17858 103 1 18 "Average Difference" N 73 3.702 -1.404 3.449 17858 104 1 18 "Average Difference" HA 84 0.406 0.226 0.339 17858 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 17858 106 1 18 "Average Difference" CA 78 1.709 -1.049 1.359 17858 107 1 18 "Average Difference" CB 72 1.443 -0.255 1.430 17858 108 1 18 "Average Difference" HN 73 0.601 -0.059 0.603 17858 109 1 19 "Average Difference" N 73 3.608 -1.334 3.376 17858 110 1 19 "Average Difference" HA 84 0.407 0.222 0.343 17858 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 17858 112 1 19 "Average Difference" CA 78 1.642 -1.043 1.277 17858 113 1 19 "Average Difference" CB 72 1.540 -0.140 1.544 17858 114 1 19 "Average Difference" HN 73 0.575 -0.039 0.578 17858 115 1 20 "Average Difference" N 73 3.406 -1.271 3.182 17858 116 1 20 "Average Difference" HA 84 0.410 0.233 0.340 17858 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 17858 118 1 20 "Average Difference" CA 78 1.600 -1.008 1.250 17858 119 1 20 "Average Difference" CB 72 1.506 -0.189 1.504 17858 120 1 20 "Average Difference" HN 73 0.595 -0.068 0.596 17858 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.Model_type average _Entity_delta_chem_shifts.Entry_ID 17858 _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.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_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.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 PRO HA H 405 4.356 4.356 4.642 -0.286 17858 2 1 . 1 1 2 2 PRO CA C 405 63.329 63.329 62.702 0.627 17858 3 1 . 1 1 2 2 PRO CB C 405 32.603 32.603 32.282 0.321 17858 4 1 . 1 1 3 3 LEU N N 406 122.497 122.497 122.304 0.193 17858 5 1 . 1 1 3 3 LEU HA H 406 4.231 4.231 4.488 -0.257 17858 6 1 . 1 1 3 3 LEU CA C 406 55.838 55.838 54.750 1.088 17858 7 1 . 1 1 3 3 LEU CB C 406 42.529 42.529 43.362 -0.833 17858 8 1 . 1 1 3 3 LEU H H 406 8.571 8.571 8.227 0.344 17858 9 1 . 1 1 4 4 GLY N N 407 110.132 110.132 109.161 0.971 17858 10 1 . 1 1 4 4 GLY CA C 407 45.746 45.746 44.693 1.053 17858 11 1 . 1 1 4 4 GLY H H 407 8.504 8.504 8.223 0.281 17858 12 1 . 1 1 5 5 SER N N 408 114.820 114.820 117.233 -2.413 17858 13 1 . 1 1 5 5 SER HA H 408 4.321 4.321 4.638 -0.317 17858 14 1 . 1 1 5 5 SER CA C 408 58.629 58.629 57.789 0.840 17858 15 1 . 1 1 5 5 SER CB C 408 64.171 64.171 64.220 -0.050 17858 16 1 . 1 1 5 5 SER H H 408 8.087 8.087 8.318 -0.231 17858 17 1 . 1 1 6 6 GLU N N 409 122.539 122.539 120.761 1.778 17858 18 1 . 1 1 6 6 GLU HA H 409 4.137 4.137 4.442 -0.305 17858 19 1 . 1 1 6 6 GLU CA C 409 57.076 57.076 56.723 0.353 17858 20 1 . 1 1 6 6 GLU CB C 409 30.420 30.420 29.711 0.709 17858 21 1 . 1 1 6 6 GLU H H 409 8.483 8.483 8.279 0.204 17858 22 1 . 1 1 7 7 LYS N N 410 120.141 120.141 121.691 -1.550 17858 23 1 . 1 1 7 7 LYS HA H 410 4.332 4.332 4.484 -0.152 17858 24 1 . 1 1 7 7 LYS CA C 410 56.279 56.279 56.132 0.147 17858 25 1 . 1 1 7 7 LYS CB C 410 33.875 33.875 32.787 1.088 17858 26 1 . 1 1 7 7 LYS H H 410 7.997 7.997 8.330 -0.333 17858 27 1 . 1 1 8 8 SER N N 411 114.672 114.672 115.472 -0.800 17858 28 1 . 1 1 8 8 SER HA H 411 4.542 4.542 4.630 -0.088 17858 29 1 . 1 1 8 8 SER CA C 411 56.092 56.092 56.781 -0.689 17858 30 1 . 1 1 8 8 SER CB C 411 65.009 65.009 64.320 0.689 17858 31 1 . 1 1 8 8 SER H H 411 8.214 8.214 7.737 0.477 17858 32 1 . 1 1 9 9 LEU N N 412 122.535 122.535 123.491 -0.956 17858 33 1 . 1 1 9 9 LEU HA H 412 3.938 3.938 4.398 -0.460 17858 34 1 . 1 1 9 9 LEU CA C 412 55.495 55.495 54.437 1.058 17858 35 1 . 1 1 9 9 LEU CB C 412 42.864 42.864 41.405 1.459 17858 36 1 . 1 1 9 9 LEU H H 412 8.487 8.487 8.657 -0.170 17858 37 1 . 1 1 10 10 GLU N N 413 121.582 121.582 118.382 3.200 17858 38 1 . 1 1 10 10 GLU HA H 413 3.804 3.804 4.335 -0.531 17858 39 1 . 1 1 10 10 GLU CA C 413 57.749 57.749 56.184 1.565 17858 40 1 . 1 1 10 10 GLU CB C 413 29.807 29.807 31.247 -1.440 17858 41 1 . 1 1 10 10 GLU H H 413 8.483 8.483 8.059 0.424 17858 42 1 . 1 1 11 11 GLN N N 414 124.052 124.052 118.540 5.512 17858 43 1 . 1 1 11 11 GLN HA H 414 3.768 3.768 4.716 -0.948 17858 44 1 . 1 1 11 11 GLN CA C 414 55.415 55.415 54.663 0.752 17858 45 1 . 1 1 11 11 GLN CB C 414 29.918 29.918 31.576 -1.658 17858 46 1 . 1 1 11 11 GLN H H 414 8.475 8.475 8.422 0.053 17858 47 1 . 1 1 12 12 CYS N N 415 129.067 129.067 124.188 4.879 17858 48 1 . 1 1 12 12 CYS HA H 415 3.668 3.668 4.335 -0.667 17858 49 1 . 1 1 12 12 CYS CA C 415 61.173 61.173 60.616 0.557 17858 50 1 . 1 1 12 12 CYS CB C 415 30.342 30.342 28.515 1.827 17858 51 1 . 1 1 12 12 CYS H H 415 9.290 9.290 8.430 0.860 17858 52 1 . 1 1 13 13 LYS N N 416 129.282 129.282 122.359 6.923 17858 53 1 . 1 1 13 13 LYS HA H 416 3.814 3.814 4.746 -0.932 17858 54 1 . 1 1 13 13 LYS CA C 416 58.772 58.772 56.877 1.895 17858 55 1 . 1 1 13 13 LYS CB C 416 32.186 32.186 32.246 -0.060 17858 56 1 . 1 1 13 13 LYS H H 416 8.623 8.623 8.880 -0.257 17858 57 1 . 1 1 14 14 PHE N N 417 119.338 119.338 118.865 0.473 17858 58 1 . 1 1 14 14 PHE HA H 417 4.613 4.613 4.630 -0.017 17858 59 1 . 1 1 14 14 PHE CA C 417 58.971 58.971 58.613 0.358 17858 60 1 . 1 1 14 14 PHE CB C 417 39.352 39.352 40.354 -1.002 17858 61 1 . 1 1 14 14 PHE H H 417 8.603 8.603 7.805 0.798 17858 62 1 . 1 1 15 15 GLY N N 418 107.206 107.206 108.364 -1.158 17858 63 1 . 1 1 15 15 GLY CA C 418 47.937 47.937 46.382 1.555 17858 64 1 . 1 1 15 15 GLY H H 418 7.472 7.472 8.499 -1.027 17858 65 1 . 1 1 16 16 THR N N 419 117.234 117.234 116.976 0.258 17858 66 1 . 1 1 16 16 THR HA H 419 4.002 4.002 4.437 -0.435 17858 67 1 . 1 1 16 16 THR CA C 419 63.842 63.842 62.297 1.545 17858 68 1 . 1 1 16 16 THR CB C 419 68.778 68.778 68.496 0.282 17858 69 1 . 1 1 16 16 THR H H 419 8.740 8.740 8.520 0.220 17858 70 1 . 1 1 17 17 HIS N N 420 118.028 118.028 120.844 -2.816 17858 71 1 . 1 1 17 17 HIS HA H 420 4.581 4.581 4.708 -0.127 17858 72 1 . 1 1 17 17 HIS CA C 420 55.612 55.612 55.913 -0.301 17858 73 1 . 1 1 17 17 HIS CB C 420 29.751 29.751 30.300 -0.549 17858 74 1 . 1 1 17 17 HIS H H 420 8.059 8.059 7.818 0.241 17858 75 1 . 1 1 18 18 CYS N N 421 122.824 122.824 120.797 2.027 17858 76 1 . 1 1 18 18 CYS HA H 421 3.849 3.849 4.405 -0.556 17858 77 1 . 1 1 18 18 CYS CA C 421 61.733 61.733 59.376 2.357 17858 78 1 . 1 1 18 18 CYS CB C 421 30.570 30.570 26.745 3.825 17858 79 1 . 1 1 18 18 CYS H H 421 7.288 7.288 8.397 -1.109 17858 80 1 . 1 1 19 19 THR N N 422 119.018 119.018 121.389 -2.371 17858 81 1 . 1 1 19 19 THR HA H 422 4.348 4.348 4.426 -0.078 17858 82 1 . 1 1 19 19 THR CA C 422 61.292 61.292 60.991 0.301 17858 83 1 . 1 1 19 19 THR CB C 422 69.612 69.612 68.313 1.299 17858 84 1 . 1 1 19 19 THR H H 422 8.435 8.435 8.152 0.283 17858 85 1 . 1 1 20 20 ASN N N 423 121.923 121.923 120.070 1.853 17858 86 1 . 1 1 20 20 ASN HA H 423 4.690 4.690 4.838 -0.148 17858 87 1 . 1 1 20 20 ASN CA C 423 52.203 52.203 52.563 -0.360 17858 88 1 . 1 1 20 20 ASN CB C 423 38.747 38.747 40.843 -2.096 17858 89 1 . 1 1 20 20 ASN H H 423 7.924 7.924 7.894 0.030 17858 90 1 . 1 1 21 21 LYS N N 424 127.775 127.775 123.148 4.627 17858 91 1 . 1 1 21 21 LYS HA H 424 3.922 3.922 4.123 -0.201 17858 92 1 . 1 1 21 21 LYS CA C 424 58.647 58.647 57.827 0.820 17858 93 1 . 1 1 21 21 LYS CB C 424 32.289 32.289 32.914 -0.625 17858 94 1 . 1 1 21 21 LYS H H 424 9.094 9.094 8.660 0.434 17858 95 1 . 1 1 22 22 ARG N N 425 116.206 116.206 116.573 -0.367 17858 96 1 . 1 1 22 22 ARG HA H 425 4.270 4.270 4.493 -0.223 17858 97 1 . 1 1 22 22 ARG CA C 425 54.832 54.832 54.907 -0.075 17858 98 1 . 1 1 22 22 ARG CB C 425 29.549 29.549 29.229 0.320 17858 99 1 . 1 1 22 22 ARG H H 425 7.825 7.825 7.760 0.065 17858 100 1 . 1 1 23 23 CYS N N 426 123.387 123.387 121.232 2.155 17858 101 1 . 1 1 23 23 CYS HA H 426 3.867 3.867 4.396 -0.529 17858 102 1 . 1 1 23 23 CYS CA C 426 62.205 62.205 60.311 1.894 17858 103 1 . 1 1 23 23 CYS CB C 426 30.940 30.940 28.783 2.157 17858 104 1 . 1 1 23 23 CYS H H 426 7.273 7.273 8.318 -1.045 17858 105 1 . 1 1 24 24 LYS N N 427 128.443 128.443 127.173 1.270 17858 106 1 . 1 1 24 24 LYS HA H 427 4.299 4.299 4.214 0.085 17858 107 1 . 1 1 24 24 LYS CA C 427 57.047 57.047 55.841 1.206 17858 108 1 . 1 1 24 24 LYS CB C 427 33.275 33.275 31.804 1.471 17858 109 1 . 1 1 24 24 LYS H H 427 8.525 8.525 8.348 0.177 17858 110 1 . 1 1 25 25 TYR N N 428 123.059 123.059 115.969 7.090 17858 111 1 . 1 1 25 25 TYR HA H 428 4.569 4.569 4.580 -0.011 17858 112 1 . 1 1 25 25 TYR CA C 428 58.470 58.470 56.371 2.099 17858 113 1 . 1 1 25 25 TYR CB C 428 39.830 39.830 40.977 -1.147 17858 114 1 . 1 1 25 25 TYR H H 428 8.066 8.066 7.221 0.845 17858 115 1 . 1 1 26 26 ARG N N 429 116.840 116.840 117.896 -1.056 17858 116 1 . 1 1 26 26 ARG HA H 429 4.429 4.429 4.524 -0.095 17858 117 1 . 1 1 26 26 ARG CA C 429 58.979 58.979 54.787 4.192 17858 118 1 . 1 1 26 26 ARG CB C 429 33.073 33.073 32.145 0.928 17858 119 1 . 1 1 26 26 ARG H H 429 8.275 8.275 8.462 -0.187 17858 120 1 . 1 1 27 27 HIS N N 430 117.522 117.522 118.882 -1.360 17858 121 1 . 1 1 27 27 HIS HA H 430 4.553 4.553 4.872 -0.319 17858 122 1 . 1 1 27 27 HIS CA C 430 56.912 56.912 55.158 1.754 17858 123 1 . 1 1 27 27 HIS CB C 430 30.715 30.715 33.746 -3.031 17858 124 1 . 1 1 27 27 HIS H H 430 8.154 8.154 8.785 -0.631 17858 125 1 . 1 1 28 28 ALA N N 431 126.087 126.087 126.081 0.005 17858 126 1 . 1 1 28 28 ALA HA H 431 4.106 4.106 4.529 -0.424 17858 127 1 . 1 1 28 28 ALA CA C 431 51.833 51.833 51.879 -0.046 17858 128 1 . 1 1 28 28 ALA CB C 431 18.291 18.291 19.525 -1.234 17858 129 1 . 1 1 28 28 ALA H H 431 8.061 8.061 8.763 -0.702 17858 130 1 . 1 1 29 29 ARG N N 432 121.538 121.538 122.839 -1.300 17858 131 1 . 1 1 29 29 ARG HA H 432 4.280 4.280 4.591 -0.311 17858 132 1 . 1 1 29 29 ARG CA C 432 55.492 55.492 56.118 -0.626 17858 133 1 . 1 1 29 29 ARG CB C 432 31.353 31.353 30.523 0.830 17858 134 1 . 1 1 29 29 ARG H H 432 8.630 8.630 8.920 -0.290 17858 135 1 . 1 1 30 30 SER N N 433 112.439 112.439 114.183 -1.744 17858 136 1 . 1 1 30 30 SER HA H 433 4.463 4.463 4.469 -0.006 17858 137 1 . 1 1 30 30 SER CA C 433 56.566 56.566 57.396 -0.830 17858 138 1 . 1 1 30 30 SER CB C 433 64.803 64.803 64.701 0.102 17858 139 1 . 1 1 30 30 SER H H 433 7.450 7.450 7.744 -0.294 17858 140 1 . 1 1 31 31 HIS N N 434 121.494 121.494 118.135 3.359 17858 141 1 . 1 1 31 31 HIS HA H 434 4.279 4.279 4.387 -0.108 17858 142 1 . 1 1 31 31 HIS CA C 434 56.955 56.955 55.073 1.882 17858 143 1 . 1 1 31 31 HIS CB C 434 29.834 29.834 28.756 1.078 17858 144 1 . 1 1 31 31 HIS H H 434 8.132 8.132 8.305 -0.173 17858 145 1 . 1 1 32 32 ILE N N 435 123.851 123.851 123.361 0.491 17858 146 1 . 1 1 32 32 ILE HA H 435 3.506 3.506 3.881 -0.375 17858 147 1 . 1 1 32 32 ILE CA C 435 61.345 61.345 59.190 2.155 17858 148 1 . 1 1 32 32 ILE CB C 435 37.765 37.765 36.524 1.241 17858 149 1 . 1 1 32 32 ILE H H 435 7.858 7.858 7.943 -0.085 17858 150 1 . 1 1 33 33 MET N N 436 125.294 125.294 124.517 0.777 17858 151 1 . 1 1 33 33 MET HA H 436 4.050 4.050 4.677 -0.627 17858 152 1 . 1 1 33 33 MET CA C 436 54.733 54.733 56.027 -1.294 17858 153 1 . 1 1 33 33 MET CB C 436 31.934 31.934 33.769 -1.835 17858 154 1 . 1 1 33 33 MET H H 436 8.317 8.317 8.337 -0.020 17858 155 1 . 1 1 34 34 CYS N N 437 127.958 127.958 119.522 8.436 17858 156 1 . 1 1 34 34 CYS HA H 437 3.389 3.389 5.079 -1.690 17858 157 1 . 1 1 34 34 CYS CA C 437 61.544 61.544 58.344 3.200 17858 158 1 . 1 1 34 34 CYS CB C 437 31.325 31.325 29.608 1.717 17858 159 1 . 1 1 34 34 CYS H H 437 9.255 9.255 8.388 0.867 17858 160 1 . 1 1 35 35 ARG N N 438 131.582 131.582 126.798 4.784 17858 161 1 . 1 1 35 35 ARG HA H 438 3.887 3.887 4.161 -0.275 17858 162 1 . 1 1 35 35 ARG CA C 438 59.466 59.466 58.856 0.610 17858 163 1 . 1 1 35 35 ARG CB C 438 30.251 30.251 30.082 0.169 17858 164 1 . 1 1 35 35 ARG H H 438 8.645 8.645 9.161 -0.516 17858 165 1 . 1 1 36 36 GLU N N 439 117.530 117.530 118.295 -0.765 17858 166 1 . 1 1 36 36 GLU HA H 439 4.284 4.284 4.323 -0.039 17858 167 1 . 1 1 36 36 GLU CA C 439 57.440 57.440 55.994 1.446 17858 168 1 . 1 1 36 36 GLU CB C 439 30.295 30.295 29.627 0.668 17858 169 1 . 1 1 36 36 GLU H H 439 8.302 8.302 8.188 0.115 17858 170 1 . 1 1 37 37 GLY N N 440 107.589 107.589 108.729 -1.140 17858 171 1 . 1 1 37 37 GLY CA C 440 47.353 47.353 45.757 1.596 17858 172 1 . 1 1 37 37 GLY H H 440 7.518 7.518 8.111 -0.593 17858 173 1 . 1 1 38 38 ALA N N 441 126.673 126.673 125.490 1.183 17858 174 1 . 1 1 38 38 ALA HA H 441 4.180 4.180 4.215 -0.035 17858 175 1 . 1 1 38 38 ALA CA C 441 53.717 53.717 52.957 0.760 17858 176 1 . 1 1 38 38 ALA CB C 441 19.127 19.127 18.537 0.590 17858 177 1 . 1 1 38 38 ALA H H 441 9.114 9.114 8.520 0.594 17858 178 1 . 1 1 39 39 ASN N N 442 113.951 113.951 115.749 -1.798 17858 179 1 . 1 1 39 39 ASN HA H 442 4.655 4.655 4.781 -0.126 17858 180 1 . 1 1 39 39 ASN CA C 442 52.940 52.940 53.219 -0.279 17858 181 1 . 1 1 39 39 ASN CB C 442 39.264 39.264 39.367 -0.103 17858 182 1 . 1 1 39 39 ASN H H 442 8.072 8.072 7.724 0.348 17858 183 1 . 1 1 40 40 CYS N N 443 122.245 122.245 119.790 2.455 17858 184 1 . 1 1 40 40 CYS HA H 443 4.070 4.070 4.230 -0.160 17858 185 1 . 1 1 40 40 CYS CA C 443 60.661 60.661 60.126 0.535 17858 186 1 . 1 1 40 40 CYS CB C 443 31.037 31.037 27.908 3.129 17858 187 1 . 1 1 40 40 CYS H H 443 7.237 7.237 7.329 -0.092 17858 188 1 . 1 1 41 41 THR N N 444 120.684 120.684 117.066 3.618 17858 189 1 . 1 1 41 41 THR HA H 444 4.411 4.411 4.362 0.049 17858 190 1 . 1 1 41 41 THR CA C 444 61.110 61.110 61.554 -0.444 17858 191 1 . 1 1 41 41 THR CB C 444 68.937 68.937 68.670 0.267 17858 192 1 . 1 1 41 41 THR H H 444 9.033 9.033 8.360 0.673 17858 193 1 . 1 1 42 42 ARG N N 445 123.977 123.977 121.276 2.701 17858 194 1 . 1 1 42 42 ARG HA H 445 4.329 4.329 4.474 -0.145 17858 195 1 . 1 1 42 42 ARG CA C 445 56.416 56.416 55.296 1.120 17858 196 1 . 1 1 42 42 ARG CB C 445 30.604 30.604 32.619 -2.015 17858 197 1 . 1 1 42 42 ARG H H 445 7.927 7.927 7.497 0.430 17858 198 1 . 1 1 43 43 ILE N N 446 132.203 132.203 122.787 9.416 17858 199 1 . 1 1 43 43 ILE HA H 446 3.609 3.609 4.234 -0.625 17858 200 1 . 1 1 43 43 ILE CA C 446 63.023 63.023 61.774 1.249 17858 201 1 . 1 1 43 43 ILE CB C 446 38.463 38.463 38.677 -0.214 17858 202 1 . 1 1 43 43 ILE H H 446 9.010 9.010 8.558 0.452 17858 203 1 . 1 1 44 44 ASP N N 447 116.309 116.309 119.023 -2.714 17858 204 1 . 1 1 44 44 ASP HA H 447 4.555 4.555 4.706 -0.151 17858 205 1 . 1 1 44 44 ASP CA C 447 52.727 52.727 53.526 -0.799 17858 206 1 . 1 1 44 44 ASP CB C 447 40.177 40.177 40.037 0.140 17858 207 1 . 1 1 44 44 ASP H H 447 8.191 8.191 8.101 0.090 17858 208 1 . 1 1 45 45 CYS N N 448 121.173 121.173 119.609 1.564 17858 209 1 . 1 1 45 45 CYS HA H 448 3.913 3.913 4.453 -0.540 17858 210 1 . 1 1 45 45 CYS CA C 448 62.082 62.082 58.907 3.174 17858 211 1 . 1 1 45 45 CYS CB C 448 31.510 31.510 27.399 4.111 17858 212 1 . 1 1 45 45 CYS H H 448 7.113 7.113 7.977 -0.864 17858 213 1 . 1 1 46 46 LEU N N 449 128.150 128.150 128.451 -0.301 17858 214 1 . 1 1 46 46 LEU HA H 449 4.657 4.657 4.723 -0.066 17858 215 1 . 1 1 46 46 LEU CA C 449 55.144 55.144 54.068 1.076 17858 216 1 . 1 1 46 46 LEU CB C 449 43.004 43.004 41.388 1.616 17858 217 1 . 1 1 46 46 LEU H H 449 8.451 8.451 8.507 -0.056 17858 218 1 . 1 1 47 47 PHE N N 450 120.646 120.646 119.497 1.149 17858 219 1 . 1 1 47 47 PHE HA H 450 4.527 4.527 4.859 -0.332 17858 220 1 . 1 1 47 47 PHE CA C 450 58.198 58.198 54.661 3.537 17858 221 1 . 1 1 47 47 PHE CB C 450 39.901 39.901 41.061 -1.160 17858 222 1 . 1 1 47 47 PHE H H 450 8.390 8.390 7.220 1.170 17858 223 1 . 1 1 48 48 GLY N N 451 104.118 104.118 109.030 -4.912 17858 224 1 . 1 1 48 48 GLY CA C 451 47.675 47.675 44.849 2.826 17858 225 1 . 1 1 48 48 GLY H H 451 8.643 8.643 8.307 0.336 17858 226 1 . 1 1 49 49 HIS N N 452 119.710 119.710 124.722 -5.012 17858 227 1 . 1 1 49 49 HIS HA H 452 4.725 4.725 4.796 -0.071 17858 228 1 . 1 1 49 49 HIS CA C 452 54.408 54.408 52.601 1.807 17858 229 1 . 1 1 49 49 HIS CB C 452 29.515 29.515 31.778 -2.263 17858 230 1 . 1 1 49 49 HIS H H 452 6.951 6.951 8.086 -1.135 17858 231 1 . 1 1 50 50 PRO HA H 453 4.291 4.291 4.401 -0.110 17858 232 1 . 1 1 50 50 PRO CA C 453 63.872 63.872 63.031 0.841 17858 233 1 . 1 1 50 50 PRO CB C 453 32.724 32.724 32.692 0.032 17858 234 1 . 1 1 51 51 ILE N N 454 122.942 122.942 118.319 4.623 17858 235 1 . 1 1 51 51 ILE HA H 454 3.787 3.787 4.248 -0.461 17858 236 1 . 1 1 51 51 ILE CA C 454 61.010 61.010 60.186 0.824 17858 237 1 . 1 1 51 51 ILE CB C 454 40.204 40.204 42.814 -2.610 17858 238 1 . 1 1 51 51 ILE H H 454 8.189 8.189 7.927 0.262 17858 239 1 . 1 1 52 52 ASN N N 455 128.496 128.496 124.327 4.168 17858 240 1 . 1 1 52 52 ASN HA H 455 4.641 4.641 4.675 -0.034 17858 241 1 . 1 1 52 52 ASN CA C 455 52.832 52.832 53.881 -1.049 17858 242 1 . 1 1 52 52 ASN CB C 455 36.969 36.969 38.134 -1.165 17858 243 1 . 1 1 52 52 ASN H H 455 8.791 8.791 8.658 0.133 17858 244 1 . 1 1 53 53 GLU N N 456 120.059 120.059 122.774 -2.715 17858 245 1 . 1 1 53 53 GLU HA H 456 4.318 4.318 4.468 -0.150 17858 246 1 . 1 1 53 53 GLU CA C 456 55.588 55.588 55.099 0.489 17858 247 1 . 1 1 53 53 GLU CB C 456 33.826 33.826 34.043 -0.217 17858 248 1 . 1 1 53 53 GLU H H 456 8.177 8.177 8.017 0.160 17858 249 1 . 1 1 54 54 ASP N N 457 124.404 124.404 122.666 1.738 17858 250 1 . 1 1 54 54 ASP HA H 457 4.446 4.446 5.185 -0.739 17858 251 1 . 1 1 54 54 ASP CA C 457 55.594 55.594 53.142 2.452 17858 252 1 . 1 1 54 54 ASP CB C 457 41.033 41.033 41.483 -0.450 17858 253 1 . 1 1 54 54 ASP H H 457 8.923 8.923 8.403 0.520 17858 254 1 . 1 1 55 55 CYS N N 458 125.765 125.765 124.103 1.662 17858 255 1 . 1 1 55 55 CYS HA H 458 3.360 3.360 4.300 -0.940 17858 256 1 . 1 1 55 55 CYS CA C 458 61.284 61.284 59.949 1.335 17858 257 1 . 1 1 55 55 CYS CB C 458 31.125 31.125 29.000 2.125 17858 258 1 . 1 1 55 55 CYS H H 458 9.113 9.113 8.079 1.034 17858 259 1 . 1 1 56 56 ARG N N 459 130.790 130.790 123.483 7.307 17858 260 1 . 1 1 56 56 ARG HA H 459 3.875 3.875 4.207 -0.332 17858 261 1 . 1 1 56 56 ARG CA C 459 58.610 58.610 57.991 0.619 17858 262 1 . 1 1 56 56 ARG CB C 459 29.566 29.566 29.926 -0.360 17858 263 1 . 1 1 56 56 ARG H H 459 8.601 8.601 8.685 -0.084 17858 264 1 . 1 1 57 57 PHE N N 460 119.175 119.175 118.475 0.700 17858 265 1 . 1 1 57 57 PHE HA H 460 4.560 4.560 4.425 0.135 17858 266 1 . 1 1 57 57 PHE CA C 460 58.367 58.367 58.895 -0.528 17858 267 1 . 1 1 57 57 PHE CB C 460 39.049 39.049 39.859 -0.810 17858 268 1 . 1 1 57 57 PHE H H 460 8.589 8.589 7.894 0.695 17858 269 1 . 1 1 58 58 GLY N N 461 107.317 107.317 106.319 0.998 17858 270 1 . 1 1 58 58 GLY CA C 461 47.253 47.253 45.276 1.977 17858 271 1 . 1 1 58 58 GLY H H 461 7.386 7.386 8.527 -1.141 17858 272 1 . 1 1 59 59 VAL N N 462 120.829 120.829 118.476 2.353 17858 273 1 . 1 1 59 59 VAL HA H 462 3.674 3.674 4.312 -0.638 17858 274 1 . 1 1 59 59 VAL CA C 462 64.142 64.142 62.465 1.677 17858 275 1 . 1 1 59 59 VAL CB C 462 32.275 32.275 31.781 0.494 17858 276 1 . 1 1 59 59 VAL H H 462 8.881 8.881 8.340 0.541 17858 277 1 . 1 1 60 60 ASN N N 463 114.923 114.923 117.706 -2.783 17858 278 1 . 1 1 60 60 ASN HA H 463 4.667 4.667 4.721 -0.054 17858 279 1 . 1 1 60 60 ASN CA C 463 53.316 53.316 53.816 -0.500 17858 280 1 . 1 1 60 60 ASN CB C 463 39.355 39.355 38.857 0.498 17858 281 1 . 1 1 60 60 ASN H H 463 7.819 7.819 8.179 -0.360 17858 282 1 . 1 1 61 61 CYS N N 464 121.670 121.670 121.039 0.631 17858 283 1 . 1 1 61 61 CYS HA H 464 3.770 3.770 3.873 -0.103 17858 284 1 . 1 1 61 61 CYS CA C 464 61.725 61.725 60.039 1.686 17858 285 1 . 1 1 61 61 CYS CB C 464 30.891 30.891 26.653 4.238 17858 286 1 . 1 1 61 61 CYS H H 464 7.049 7.049 8.181 -1.132 17858 287 1 . 1 1 62 62 LYS N N 465 131.072 131.072 126.434 4.638 17858 288 1 . 1 1 62 62 LYS HA H 465 4.312 4.312 4.378 -0.066 17858 289 1 . 1 1 62 62 LYS CA C 465 55.230 55.230 55.847 -0.617 17858 290 1 . 1 1 62 62 LYS CB C 465 32.794 32.794 32.301 0.493 17858 291 1 . 1 1 62 62 LYS H H 465 8.836 8.836 8.266 0.570 17858 292 1 . 1 1 63 63 ASN N N 466 119.130 119.130 117.337 1.793 17858 293 1 . 1 1 63 63 ASN HA H 466 4.596 4.596 4.555 0.041 17858 294 1 . 1 1 63 63 ASN CA C 466 52.210 52.210 52.012 0.198 17858 295 1 . 1 1 63 63 ASN CB C 466 38.827 38.827 39.901 -1.074 17858 296 1 . 1 1 63 63 ASN H H 466 7.660 7.660 7.595 0.065 17858 297 1 . 1 1 64 64 ILE N N 467 125.111 125.111 118.292 6.819 17858 298 1 . 1 1 64 64 ILE HA H 467 3.539 3.539 4.198 -0.659 17858 299 1 . 1 1 64 64 ILE CA C 467 64.493 64.493 60.758 3.735 17858 300 1 . 1 1 64 64 ILE CB C 467 38.068 38.068 38.248 -0.180 17858 301 1 . 1 1 64 64 ILE H H 467 8.475 8.475 7.675 0.800 17858 302 1 . 1 1 65 65 TYR N N 468 118.920 118.920 117.097 1.823 17858 303 1 . 1 1 65 65 TYR HA H 468 4.538 4.538 4.765 -0.227 17858 304 1 . 1 1 65 65 TYR CA C 468 57.003 57.003 55.022 1.981 17858 305 1 . 1 1 65 65 TYR CB C 468 37.716 37.716 36.915 0.801 17858 306 1 . 1 1 65 65 TYR H H 468 7.462 7.462 7.099 0.363 17858 307 1 . 1 1 66 66 CYS N N 469 122.658 122.658 121.296 1.362 17858 308 1 . 1 1 66 66 CYS HA H 469 4.009 4.009 4.571 -0.562 17858 309 1 . 1 1 66 66 CYS CA C 469 62.039 62.039 58.162 3.877 17858 310 1 . 1 1 66 66 CYS CB C 469 31.455 31.455 28.165 3.290 17858 311 1 . 1 1 66 66 CYS H H 469 7.305 7.305 8.237 -0.932 17858 312 1 . 1 1 67 67 LEU N N 470 130.238 130.238 126.900 3.338 17858 313 1 . 1 1 67 67 LEU HA H 470 4.353 4.353 4.439 -0.086 17858 314 1 . 1 1 67 67 LEU CA C 470 55.947 55.947 54.268 1.679 17858 315 1 . 1 1 67 67 LEU CB C 470 42.125 42.125 41.451 0.674 17858 316 1 . 1 1 67 67 LEU H H 470 9.002 9.002 8.387 0.615 17858 317 1 . 1 1 68 68 PHE N N 471 120.946 120.946 117.982 2.964 17858 318 1 . 1 1 68 68 PHE HA H 471 4.576 4.576 4.564 0.012 17858 319 1 . 1 1 68 68 PHE CA C 471 59.242 59.242 55.609 3.633 17858 320 1 . 1 1 68 68 PHE CB C 471 39.865 39.865 40.646 -0.781 17858 321 1 . 1 1 68 68 PHE H H 471 8.519 8.519 7.075 1.444 17858 322 1 . 1 1 69 69 ARG N N 472 116.975 116.975 120.664 -3.689 17858 323 1 . 1 1 69 69 ARG HA H 472 4.331 4.331 4.343 -0.012 17858 324 1 . 1 1 69 69 ARG CA C 472 56.933 56.933 54.643 2.290 17858 325 1 . 1 1 69 69 ARG CB C 472 31.822 31.822 31.670 0.152 17858 326 1 . 1 1 69 69 ARG H H 472 8.417 8.417 8.762 -0.345 17858 327 1 . 1 1 70 70 HIS N N 473 118.809 118.809 122.725 -3.916 17858 328 1 . 1 1 70 70 HIS HA H 473 4.991 4.991 4.860 0.131 17858 329 1 . 1 1 70 70 HIS CA C 473 55.311 55.311 53.726 1.585 17858 330 1 . 1 1 70 70 HIS CB C 473 30.613 30.613 30.575 0.038 17858 331 1 . 1 1 70 70 HIS H H 473 8.499 8.499 8.408 0.091 17858 332 1 . 1 1 71 71 PRO HA H 474 4.742 4.742 4.563 0.179 17858 333 1 . 1 1 71 71 PRO CA C 474 61.250 61.250 62.003 -0.753 17858 334 1 . 1 1 71 71 PRO CB C 474 30.743 30.743 31.160 -0.417 17858 335 1 . 1 1 72 72 PRO HA H 475 4.279 4.279 4.388 -0.109 17858 336 1 . 1 1 72 72 PRO CA C 475 63.941 63.941 63.420 0.521 17858 337 1 . 1 1 72 72 PRO CB C 475 32.122 32.122 31.430 0.692 17858 338 1 . 1 1 73 73 GLY N N 476 106.525 106.525 112.003 -5.478 17858 339 1 . 1 1 73 73 GLY CA C 476 45.142 45.142 44.832 0.310 17858 340 1 . 1 1 73 73 GLY H H 476 8.359 8.359 8.801 -0.442 17858 341 1 . 1 1 74 74 ARG N N 477 121.516 121.516 119.518 1.998 17858 342 1 . 1 1 74 74 ARG HA H 477 4.223 4.223 4.501 -0.278 17858 343 1 . 1 1 74 74 ARG CA C 477 57.021 57.021 55.627 1.394 17858 344 1 . 1 1 74 74 ARG CB C 477 31.388 31.388 31.575 -0.187 17858 345 1 . 1 1 74 74 ARG H H 477 7.255 7.255 7.761 -0.506 17858 346 1 . 1 1 75 75 VAL N N 478 128.411 128.411 117.455 10.956 17858 347 1 . 1 1 75 75 VAL HA H 478 4.054 4.054 4.294 -0.240 17858 348 1 . 1 1 75 75 VAL CA C 478 61.925 61.925 61.682 0.243 17858 349 1 . 1 1 75 75 VAL CB C 478 33.788 33.788 33.590 0.198 17858 350 1 . 1 1 75 75 VAL H H 478 8.569 8.569 8.277 0.292 17858 351 1 . 1 1 76 76 LEU N N 479 127.195 127.195 121.654 5.541 17858 352 1 . 1 1 76 76 LEU HA H 479 4.462 4.462 4.775 -0.313 17858 353 1 . 1 1 76 76 LEU CA C 479 52.474 52.474 52.443 0.031 17858 354 1 . 1 1 76 76 LEU CB C 479 42.068 42.068 44.583 -2.515 17858 355 1 . 1 1 76 76 LEU H H 479 8.338 8.338 8.260 0.078 17858 356 1 . 1 1 77 77 PRO HA H 480 4.251 4.251 4.432 -0.181 17858 357 1 . 1 1 77 77 PRO CA C 480 63.072 63.072 62.912 0.160 17858 358 1 . 1 1 77 77 PRO CB C 480 32.313 32.313 32.016 0.297 17858 359 1 . 1 1 78 78 GLU N N 481 120.828 120.828 122.227 -1.399 17858 360 1 . 1 1 78 78 GLU HA H 481 4.089 4.089 4.410 -0.321 17858 361 1 . 1 1 78 78 GLU CA C 481 56.521 56.521 56.207 0.314 17858 362 1 . 1 1 78 78 GLU CB C 481 31.032 31.032 31.231 -0.199 17858 363 1 . 1 1 78 78 GLU H H 481 8.328 8.328 8.518 -0.190 17858 364 1 . 1 1 79 79 LYS N N 482 123.778 123.778 123.397 0.381 17858 365 1 . 1 1 79 79 LYS HA H 482 4.166 4.166 4.512 -0.346 17858 366 1 . 1 1 79 79 LYS CA C 482 56.581 56.581 56.350 0.231 17858 367 1 . 1 1 79 79 LYS CB C 482 33.279 33.279 33.039 0.240 17858 368 1 . 1 1 79 79 LYS H H 482 8.332 8.332 8.539 -0.207 17858 stop_ save_