data_18462 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18462 _Entry.PDB_ID 2LT7 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 18462 _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 1 473 473 ASN HA H 473 4.815 4.815 4.989 -0.174 18462 2 1 1 . 1 1 473 473 ASN CA C 473 52.204 52.204 52.507 -0.303 18462 3 1 1 . 1 1 473 473 ASN CB C 473 38.371 38.371 41.455 -3.084 18462 4 1 1 . 1 1 474 474 LYS N N 474 122.150 122.150 122.284 -0.134 18462 5 1 1 . 1 1 474 474 LYS HA H 474 4.375 4.375 4.487 -0.112 18462 6 1 1 . 1 1 474 474 LYS C C 474 174.965 174.965 176.071 -1.106 18462 7 1 1 . 1 1 474 474 LYS CA C 474 55.944 55.944 56.305 -0.361 18462 8 1 1 . 1 1 474 474 LYS CB C 474 32.405 32.405 32.753 -0.348 18462 9 1 1 . 1 1 474 474 LYS H H 474 8.586 8.586 8.406 0.180 18462 10 1 1 . 1 1 475 475 ARG N N 475 122.278 122.278 126.023 -3.745 18462 11 1 1 . 1 1 475 475 ARG HA H 475 4.374 4.374 4.261 0.113 18462 12 1 1 . 1 1 475 475 ARG C C 475 176.695 176.695 175.622 1.073 18462 13 1 1 . 1 1 475 475 ARG CA C 475 55.944 55.944 56.676 -0.732 18462 14 1 1 . 1 1 475 475 ARG CB C 475 30.164 30.164 30.889 -0.725 18462 15 1 1 . 1 1 475 475 ARG H H 475 8.662 8.662 8.561 0.101 18462 16 1 1 . 1 1 476 476 MET N N 476 122.046 122.046 121.846 0.200 18462 17 1 1 . 1 1 476 476 MET HA H 476 4.496 4.496 4.655 -0.159 18462 18 1 1 . 1 1 476 476 MET C C 476 176.359 176.359 176.304 0.055 18462 19 1 1 . 1 1 476 476 MET CA C 476 54.537 54.537 54.447 0.090 18462 20 1 1 . 1 1 476 476 MET CB C 476 32.509 32.509 35.011 -2.502 18462 21 1 1 . 1 1 476 476 MET H H 476 8.490 8.490 8.250 0.240 18462 22 1 1 . 1 1 477 477 LYS N N 477 123.768 123.768 124.945 -1.177 18462 23 1 1 . 1 1 477 477 LYS HA H 477 4.384 4.384 4.641 -0.257 18462 24 1 1 . 1 1 477 477 LYS C C 477 176.015 176.015 175.375 0.640 18462 25 1 1 . 1 1 477 477 LYS CA C 477 55.834 55.834 55.941 -0.106 18462 26 1 1 . 1 1 477 477 LYS CB C 477 32.107 32.107 31.019 1.088 18462 27 1 1 . 1 1 477 477 LYS H H 477 8.472 8.472 8.574 -0.102 18462 28 1 1 . 1 1 478 478 VAL N N 478 122.460 122.460 117.508 4.952 18462 29 1 1 . 1 1 478 478 VAL HA H 478 4.054 4.054 4.420 -0.366 18462 30 1 1 . 1 1 478 478 VAL C C 478 176.320 176.320 174.638 1.682 18462 31 1 1 . 1 1 478 478 VAL CA C 478 61.337 61.337 60.640 0.697 18462 32 1 1 . 1 1 478 478 VAL CB C 478 32.275 32.275 34.638 -2.362 18462 33 1 1 . 1 1 478 478 VAL H H 478 8.230 8.230 7.804 0.426 18462 34 1 1 . 1 1 479 479 LYS N N 479 126.119 126.119 123.298 2.821 18462 35 1 1 . 1 1 479 479 LYS HA H 479 4.365 4.365 4.091 0.274 18462 36 1 1 . 1 1 479 479 LYS C C 479 175.605 175.605 175.516 0.089 18462 37 1 1 . 1 1 479 479 LYS CA C 479 55.006 55.006 55.592 -0.586 18462 38 1 1 . 1 1 479 479 LYS CB C 479 32.098 32.098 33.010 -0.912 18462 39 1 1 . 1 1 479 479 LYS H H 479 8.453 8.453 8.122 0.331 18462 40 1 1 . 1 1 480 480 HIS N N 480 121.065 121.065 117.764 3.301 18462 41 1 1 . 1 1 480 480 HIS HA H 480 4.713 4.713 4.670 0.043 18462 42 1 1 . 1 1 480 480 HIS C C 480 175.937 175.937 174.305 1.632 18462 43 1 1 . 1 1 480 480 HIS CA C 480 54.537 54.537 54.463 0.074 18462 44 1 1 . 1 1 480 480 HIS CB C 480 30.047 30.047 31.982 -1.935 18462 45 1 1 . 1 1 480 480 HIS H H 480 8.559 8.559 7.858 0.701 18462 46 1 1 . 1 1 481 481 ASP HA H 481 4.392 4.392 4.501 -0.109 18462 47 1 1 . 1 1 481 481 ASP C C 481 174.413 174.413 175.779 -1.366 18462 48 1 1 . 1 1 481 481 ASP CA C 481 52.907 52.907 53.410 -0.503 18462 49 1 1 . 1 1 481 481 ASP CB C 481 39.543 39.543 38.759 0.784 18462 50 1 1 . 1 1 482 482 ASP N N 482 118.362 118.362 118.033 0.329 18462 51 1 1 . 1 1 482 482 ASP HA H 482 4.710 4.710 4.511 0.199 18462 52 1 1 . 1 1 482 482 ASP C C 482 175.104 175.104 175.322 -0.218 18462 53 1 1 . 1 1 482 482 ASP CA C 482 53.376 53.376 53.955 -0.579 18462 54 1 1 . 1 1 482 482 ASP CB C 482 39.308 39.308 40.985 -1.677 18462 55 1 1 . 1 1 482 482 ASP H H 482 8.216 8.216 8.033 0.183 18462 56 1 1 . 1 1 483 483 HIS N N 483 113.578 113.578 113.606 -0.028 18462 57 1 1 . 1 1 483 483 HIS HA H 483 5.886 5.886 5.230 0.656 18462 58 1 1 . 1 1 483 483 HIS C C 483 175.274 175.274 172.756 2.518 18462 59 1 1 . 1 1 483 483 HIS CA C 483 55.241 55.241 55.411 -0.170 18462 60 1 1 . 1 1 483 483 HIS CB C 483 32.040 32.040 31.230 0.810 18462 61 1 1 . 1 1 483 483 HIS H H 483 7.692 7.692 7.186 0.506 18462 62 1 1 . 1 1 484 484 TYR N N 484 116.271 116.271 114.773 1.498 18462 63 1 1 . 1 1 484 484 TYR HA H 484 5.003 5.003 4.924 0.079 18462 64 1 1 . 1 1 484 484 TYR C C 484 180.038 180.038 173.872 6.166 18462 65 1 1 . 1 1 484 484 TYR CA C 484 55.241 55.241 55.961 -0.720 18462 66 1 1 . 1 1 484 484 TYR CB C 484 39.777 39.777 40.640 -0.863 18462 67 1 1 . 1 1 484 484 TYR H H 484 8.493 8.493 8.691 -0.198 18462 68 1 1 . 1 1 485 485 GLU N N 485 120.840 120.840 121.311 -0.471 18462 69 1 1 . 1 1 485 485 GLU HA H 485 5.301 5.301 5.327 -0.026 18462 70 1 1 . 1 1 485 485 GLU C C 485 174.101 174.101 175.724 -1.623 18462 71 1 1 . 1 1 485 485 GLU CA C 485 54.772 54.772 55.383 -0.611 18462 72 1 1 . 1 1 485 485 GLU CB C 485 31.337 31.337 31.850 -0.513 18462 73 1 1 . 1 1 485 485 GLU H H 485 8.873 8.873 8.685 0.188 18462 74 1 1 . 1 1 486 486 LEU N N 486 125.807 125.807 125.901 -0.094 18462 75 1 1 . 1 1 486 486 LEU HA H 486 4.762 4.762 4.803 -0.041 18462 76 1 1 . 1 1 486 486 LEU C C 486 175.613 175.613 174.885 0.728 18462 77 1 1 . 1 1 486 486 LEU CA C 486 53.645 53.645 54.483 -0.839 18462 78 1 1 . 1 1 486 486 LEU CB C 486 45.873 45.873 45.140 0.733 18462 79 1 1 . 1 1 486 486 LEU H H 486 8.957 8.957 8.942 0.015 18462 80 1 1 . 1 1 487 487 ILE N N 487 125.332 125.332 127.873 -2.541 18462 81 1 1 . 1 1 487 487 ILE HA H 487 5.007 5.007 4.468 0.539 18462 82 1 1 . 1 1 487 487 ILE C C 487 174.543 174.543 175.388 -0.845 18462 83 1 1 . 1 1 487 487 ILE CA C 487 59.695 59.695 61.321 -1.626 18462 84 1 1 . 1 1 487 487 ILE CB C 487 37.433 37.433 38.243 -0.811 18462 85 1 1 . 1 1 487 487 ILE H H 487 8.549 8.549 8.424 0.125 18462 86 1 1 . 1 1 488 488 VAL N N 488 129.307 129.307 128.507 0.800 18462 87 1 1 . 1 1 488 488 VAL HA H 488 4.304 4.304 4.135 0.169 18462 88 1 1 . 1 1 488 488 VAL C C 488 176.678 176.678 175.160 1.518 18462 89 1 1 . 1 1 488 488 VAL CA C 488 60.868 60.868 60.452 0.416 18462 90 1 1 . 1 1 488 488 VAL CB C 488 33.681 33.681 33.919 -0.238 18462 91 1 1 . 1 1 488 488 VAL H H 488 9.456 9.456 8.586 0.870 18462 92 1 1 . 1 1 489 489 ASP N N 489 128.884 128.884 128.003 0.881 18462 93 1 1 . 1 1 489 489 ASP HA H 489 4.301 4.301 4.233 0.068 18462 94 1 1 . 1 1 489 489 ASP C C 489 176.084 176.084 176.825 -0.741 18462 95 1 1 . 1 1 489 489 ASP CA C 489 54.537 54.537 54.827 -0.290 18462 96 1 1 . 1 1 489 489 ASP CB C 489 39.074 39.074 40.330 -1.256 18462 97 1 1 . 1 1 489 489 ASP H H 489 9.144 9.144 9.004 0.140 18462 98 1 1 . 1 1 490 490 GLY N N 490 102.410 102.410 103.056 -0.646 18462 99 1 1 . 1 1 490 490 GLY C C 490 175.998 175.998 174.322 1.676 18462 100 1 1 . 1 1 490 490 GLY CA C 490 44.818 44.818 45.139 -0.321 18462 101 1 1 . 1 1 490 490 GLY H H 490 8.210 8.210 8.112 0.098 18462 102 1 1 . 1 1 491 491 ARG N N 491 122.605 122.605 122.233 0.372 18462 103 1 1 . 1 1 491 491 ARG HA H 491 4.597 4.597 4.342 0.255 18462 104 1 1 . 1 1 491 491 ARG C C 491 173.256 173.256 175.531 -2.275 18462 105 1 1 . 1 1 491 491 ARG CA C 491 53.610 53.610 55.437 -1.827 18462 106 1 1 . 1 1 491 491 ARG CB C 491 32.040 32.040 31.086 0.954 18462 107 1 1 . 1 1 491 491 ARG H H 491 7.938 7.938 7.688 0.250 18462 108 1 1 . 1 1 492 492 VAL N N 492 123.769 123.769 124.880 -1.111 18462 109 1 1 . 1 1 492 492 VAL HA H 492 4.128 4.128 3.714 0.414 18462 110 1 1 . 1 1 492 492 VAL C C 492 173.470 173.470 175.148 -1.678 18462 111 1 1 . 1 1 492 492 VAL CA C 492 62.210 62.210 62.682 -0.472 18462 112 1 1 . 1 1 492 492 VAL CB C 492 32.040 32.040 31.765 0.275 18462 113 1 1 . 1 1 492 492 VAL H H 492 8.157 8.157 8.475 -0.318 18462 114 1 1 . 1 1 493 493 TYR N N 493 124.842 124.842 126.357 -1.515 18462 115 1 1 . 1 1 493 493 TYR HA H 493 4.632 4.632 4.663 -0.031 18462 116 1 1 . 1 1 493 493 TYR C C 493 174.288 174.288 175.149 -0.861 18462 117 1 1 . 1 1 493 493 TYR CA C 493 56.308 56.308 53.806 2.502 18462 118 1 1 . 1 1 493 493 TYR CB C 493 40.481 40.481 40.230 0.251 18462 119 1 1 . 1 1 493 493 TYR H H 493 8.981 8.981 8.466 0.515 18462 120 1 1 . 1 1 494 494 TYR N N 494 120.511 120.511 118.505 2.006 18462 121 1 1 . 1 1 494 494 TYR HA H 494 4.763 4.763 5.238 -0.475 18462 122 1 1 . 1 1 494 494 TYR C C 494 173.811 173.811 175.325 -1.514 18462 123 1 1 . 1 1 494 494 TYR CA C 494 56.764 56.764 56.573 0.191 18462 124 1 1 . 1 1 494 494 TYR CB C 494 38.722 38.722 40.199 -1.477 18462 125 1 1 . 1 1 494 494 TYR H H 494 9.235 9.235 9.094 0.141 18462 126 1 1 . 1 1 495 495 ILE N N 495 124.930 124.930 122.053 2.877 18462 127 1 1 . 1 1 495 495 ILE HA H 495 4.780 4.780 4.894 -0.114 18462 128 1 1 . 1 1 495 495 ILE C C 495 174.764 174.764 175.292 -0.528 18462 129 1 1 . 1 1 495 495 ILE CA C 495 57.714 57.714 59.065 -1.351 18462 130 1 1 . 1 1 495 495 ILE CB C 495 36.729 36.729 41.059 -4.330 18462 131 1 1 . 1 1 495 495 ILE H H 495 9.136 9.136 9.219 -0.083 18462 132 1 1 . 1 1 496 496 CYS N N 496 127.535 127.535 127.246 0.289 18462 133 1 1 . 1 1 496 496 CYS HA H 496 4.745 4.745 4.723 0.022 18462 134 1 1 . 1 1 496 496 CYS C C 496 176.128 176.128 176.813 -0.685 18462 135 1 1 . 1 1 496 496 CYS CA C 496 60.574 60.574 58.976 1.598 18462 136 1 1 . 1 1 496 496 CYS CB C 496 29.227 29.227 28.208 1.019 18462 137 1 1 . 1 1 496 496 CYS H H 496 9.016 9.016 8.526 0.490 18462 138 1 1 . 1 1 497 497 ILE N N 497 129.645 129.645 126.236 3.409 18462 139 1 1 . 1 1 497 497 ILE HA H 497 4.176 4.176 4.233 -0.057 18462 140 1 1 . 1 1 497 497 ILE C C 497 177.925 177.925 176.858 1.067 18462 141 1 1 . 1 1 497 497 ILE CA C 497 63.447 63.447 64.532 -1.085 18462 142 1 1 . 1 1 497 497 ILE CB C 497 39.543 39.543 37.819 1.724 18462 143 1 1 . 1 1 497 497 ILE H H 497 8.295 8.295 8.525 -0.230 18462 144 1 1 . 1 1 498 498 VAL N N 498 123.791 123.791 121.817 1.974 18462 145 1 1 . 1 1 498 498 VAL HA H 498 3.939 3.939 3.768 0.171 18462 146 1 1 . 1 1 498 498 VAL C C 498 176.127 176.127 177.416 -1.289 18462 147 1 1 . 1 1 498 498 VAL CA C 498 64.619 64.619 65.519 -0.900 18462 148 1 1 . 1 1 498 498 VAL CB C 498 32.275 32.275 31.344 0.931 18462 149 1 1 . 1 1 498 498 VAL H H 498 8.993 8.993 8.316 0.677 18462 150 1 1 . 1 1 499 499 CYS N N 499 117.267 117.267 111.707 5.560 18462 151 1 1 . 1 1 499 499 CYS HA H 499 5.157 5.157 4.850 0.307 18462 152 1 1 . 1 1 499 499 CYS C C 499 177.106 177.106 174.961 2.145 18462 153 1 1 . 1 1 499 499 CYS CA C 499 57.820 57.820 57.361 0.459 18462 154 1 1 . 1 1 499 499 CYS CB C 499 31.571 31.571 29.509 2.062 18462 155 1 1 . 1 1 499 499 CYS H H 499 8.307 8.307 8.001 0.306 18462 156 1 1 . 1 1 500 500 LYS N N 500 117.950 117.950 118.788 -0.838 18462 157 1 1 . 1 1 500 500 LYS HA H 500 4.306 4.306 4.072 0.234 18462 158 1 1 . 1 1 500 500 LYS C C 500 175.869 175.869 175.536 0.333 18462 159 1 1 . 1 1 500 500 LYS CA C 500 57.585 57.585 57.271 0.314 18462 160 1 1 . 1 1 500 500 LYS CB C 500 28.289 28.289 29.719 -1.430 18462 161 1 1 . 1 1 500 500 LYS H H 500 8.169 8.169 8.162 0.007 18462 162 1 1 . 1 1 501 501 ARG N N 501 121.270 121.270 119.757 1.513 18462 163 1 1 . 1 1 501 501 ARG HA H 501 4.090 4.090 4.173 -0.083 18462 164 1 1 . 1 1 501 501 ARG C C 501 175.587 175.587 175.805 -0.218 18462 165 1 1 . 1 1 501 501 ARG CA C 501 58.289 58.289 56.054 2.235 18462 166 1 1 . 1 1 501 501 ARG CB C 501 29.694 29.694 31.089 -1.395 18462 167 1 1 . 1 1 501 501 ARG H H 501 8.071 8.071 7.692 0.379 18462 168 1 1 . 1 1 502 502 SER N N 502 112.997 112.997 117.586 -4.589 18462 169 1 1 . 1 1 502 502 SER HA H 502 5.003 5.003 4.790 0.213 18462 170 1 1 . 1 1 502 502 SER C C 502 174.417 174.417 173.288 1.129 18462 171 1 1 . 1 1 502 502 SER CA C 502 55.475 55.475 57.288 -1.812 18462 172 1 1 . 1 1 502 502 SER CB C 502 65.088 65.088 64.448 0.640 18462 173 1 1 . 1 1 502 502 SER H H 502 7.553 7.553 8.204 -0.651 18462 174 1 1 . 1 1 503 503 TYR N N 503 121.115 121.115 122.258 -1.143 18462 175 1 1 . 1 1 503 503 TYR HA H 503 4.996 4.996 4.671 0.325 18462 176 1 1 . 1 1 503 503 TYR C C 503 173.707 173.707 175.305 -1.598 18462 177 1 1 . 1 1 503 503 TYR CA C 503 57.585 57.585 58.142 -0.557 18462 178 1 1 . 1 1 503 503 TYR CB C 503 42.244 42.244 42.047 0.197 18462 179 1 1 . 1 1 503 503 TYR H H 503 8.958 8.958 8.689 0.269 18462 180 1 1 . 1 1 504 504 VAL N N 504 119.390 119.390 120.964 -1.574 18462 181 1 1 . 1 1 504 504 VAL HA H 504 4.376 4.376 4.031 0.345 18462 182 1 1 . 1 1 504 504 VAL C C 504 176.390 176.390 175.754 0.636 18462 183 1 1 . 1 1 504 504 VAL CA C 504 62.275 62.275 64.011 -1.736 18462 184 1 1 . 1 1 504 504 VAL CB C 504 33.025 33.025 32.435 0.590 18462 185 1 1 . 1 1 504 504 VAL H H 504 9.988 9.988 8.634 1.354 18462 186 1 1 . 1 1 505 505 CYS N N 505 113.800 113.800 116.326 -2.526 18462 187 1 1 . 1 1 505 505 CYS HA H 505 4.998 4.998 4.795 0.203 18462 188 1 1 . 1 1 505 505 CYS C C 505 176.603 176.603 175.128 1.475 18462 189 1 1 . 1 1 505 505 CYS CA C 505 56.647 56.647 57.817 -1.170 18462 190 1 1 . 1 1 505 505 CYS CB C 505 38.406 38.406 31.307 7.099 18462 191 1 1 . 1 1 505 505 CYS H H 505 7.518 7.518 7.768 -0.250 18462 192 1 1 . 1 1 506 506 LEU N N 506 129.535 129.535 124.718 4.817 18462 193 1 1 . 1 1 506 506 LEU HA H 506 3.325 3.325 3.554 -0.229 18462 194 1 1 . 1 1 506 506 LEU C C 506 174.727 174.727 178.078 -3.351 18462 195 1 1 . 1 1 506 506 LEU CA C 506 56.647 56.647 58.213 -1.566 18462 196 1 1 . 1 1 506 506 LEU CB C 506 39.308 39.308 41.231 -1.923 18462 197 1 1 . 1 1 506 506 LEU H H 506 8.602 8.602 8.742 -0.140 18462 198 1 1 . 1 1 507 507 THR N N 507 108.833 108.833 110.683 -1.850 18462 199 1 1 . 1 1 507 507 THR HA H 507 3.820 3.820 3.838 -0.018 18462 200 1 1 . 1 1 507 507 THR C C 507 178.905 178.905 176.982 1.923 18462 201 1 1 . 1 1 507 507 THR CA C 507 64.150 64.150 65.729 -1.579 18462 202 1 1 . 1 1 507 507 THR CB C 507 66.260 66.260 68.191 -1.931 18462 203 1 1 . 1 1 507 507 THR H H 507 8.087 8.087 7.982 0.105 18462 204 1 1 . 1 1 508 508 SER N N 508 119.009 119.009 117.502 1.507 18462 205 1 1 . 1 1 508 508 SER HA H 508 4.123 4.123 4.076 0.047 18462 206 1 1 . 1 1 508 508 SER C C 508 178.467 178.467 176.157 2.310 18462 207 1 1 . 1 1 508 508 SER CA C 508 59.461 59.461 61.091 -1.630 18462 208 1 1 . 1 1 508 508 SER CB C 508 62.978 62.978 62.911 0.067 18462 209 1 1 . 1 1 508 508 SER H H 508 7.230 7.230 7.513 -0.283 18462 210 1 1 . 1 1 509 509 LEU N N 509 127.365 127.365 123.114 4.251 18462 211 1 1 . 1 1 509 509 LEU HA H 509 3.216 3.216 3.386 -0.170 18462 212 1 1 . 1 1 509 509 LEU C C 509 176.740 176.740 177.831 -1.091 18462 213 1 1 . 1 1 509 509 LEU CA C 509 57.351 57.351 57.855 -0.504 18462 214 1 1 . 1 1 509 509 LEU CB C 509 39.074 39.074 41.782 -2.708 18462 215 1 1 . 1 1 509 509 LEU H H 509 7.114 7.114 7.529 -0.415 18462 216 1 1 . 1 1 510 510 ARG N N 510 119.955 119.955 118.555 1.400 18462 217 1 1 . 1 1 510 510 ARG HA H 510 3.843 3.843 3.919 -0.076 18462 218 1 1 . 1 1 510 510 ARG C C 510 178.472 178.472 178.789 -0.317 18462 219 1 1 . 1 1 510 510 ARG CA C 510 61.766 61.766 57.929 3.837 18462 220 1 1 . 1 1 510 510 ARG CB C 510 28.992 28.992 28.844 0.148 18462 221 1 1 . 1 1 510 510 ARG H H 510 8.100 8.100 8.520 -0.420 18462 222 1 1 . 1 1 511 511 ARG N N 511 120.947 120.947 118.601 2.346 18462 223 1 1 . 1 1 511 511 ARG HA H 511 4.078 4.078 3.929 0.149 18462 224 1 1 . 1 1 511 511 ARG C C 511 178.262 178.262 178.404 -0.142 18462 225 1 1 . 1 1 511 511 ARG CA C 511 59.054 59.054 59.041 0.013 18462 226 1 1 . 1 1 511 511 ARG CB C 511 29.695 29.695 29.986 -0.291 18462 227 1 1 . 1 1 511 511 ARG H H 511 7.802 7.802 7.754 0.048 18462 228 1 1 . 1 1 512 512 HIS N N 512 116.820 116.820 118.656 -1.836 18462 229 1 1 . 1 1 512 512 HIS HA H 512 4.219 4.219 4.253 -0.034 18462 230 1 1 . 1 1 512 512 HIS C C 512 178.069 178.069 177.157 0.912 18462 231 1 1 . 1 1 512 512 HIS CA C 512 57.507 57.507 58.736 -1.228 18462 232 1 1 . 1 1 512 512 HIS CB C 512 27.390 27.390 29.848 -2.458 18462 233 1 1 . 1 1 512 512 HIS H H 512 7.809 7.809 7.671 0.138 18462 234 1 1 . 1 1 513 513 PHE N N 513 118.415 118.415 120.923 -2.508 18462 235 1 1 . 1 1 513 513 PHE HA H 513 3.620 3.620 3.945 -0.325 18462 236 1 1 . 1 1 513 513 PHE C C 513 176.026 176.026 176.530 -0.504 18462 237 1 1 . 1 1 513 513 PHE CA C 513 61.102 61.102 61.084 0.018 18462 238 1 1 . 1 1 513 513 PHE CB C 513 38.996 38.996 38.893 0.103 18462 239 1 1 . 1 1 513 513 PHE H H 513 8.898 8.898 8.753 0.145 18462 240 1 1 . 1 1 514 514 ASN N N 514 114.080 114.080 118.865 -4.785 18462 241 1 1 . 1 1 514 514 ASN HA H 514 4.988 4.988 4.299 0.689 18462 242 1 1 . 1 1 514 514 ASN C C 514 176.236 176.236 177.242 -1.006 18462 243 1 1 . 1 1 514 514 ASN CA C 514 55.006 55.006 55.664 -0.658 18462 244 1 1 . 1 1 514 514 ASN CB C 514 40.129 40.129 38.511 1.619 18462 245 1 1 . 1 1 514 514 ASN H H 514 8.678 8.678 7.655 1.023 18462 246 1 1 . 1 1 515 515 ILE N N 515 114.035 114.035 118.219 -4.184 18462 247 1 1 . 1 1 515 515 ILE HA H 515 2.997 2.997 3.186 -0.189 18462 248 1 1 . 1 1 515 515 ILE C C 515 176.292 176.292 175.848 0.444 18462 249 1 1 . 1 1 515 515 ILE CA C 515 63.447 63.447 63.524 -0.077 18462 250 1 1 . 1 1 515 515 ILE CB C 515 37.198 37.198 37.432 -0.234 18462 251 1 1 . 1 1 515 515 ILE H H 515 7.919 7.919 7.754 0.165 18462 252 1 1 . 1 1 516 516 HIS N N 516 113.136 113.136 117.219 -4.083 18462 253 1 1 . 1 1 516 516 HIS HA H 516 4.767 4.767 4.605 0.162 18462 254 1 1 . 1 1 516 516 HIS C C 516 175.870 175.870 177.230 -1.360 18462 255 1 1 . 1 1 516 516 HIS CA C 516 54.542 54.542 57.953 -3.412 18462 256 1 1 . 1 1 516 516 HIS CB C 516 27.585 27.585 30.240 -2.655 18462 257 1 1 . 1 1 516 516 HIS H H 516 7.170 7.170 7.450 -0.280 18462 258 1 1 . 1 1 517 517 SER N N 517 112.852 112.852 114.514 -1.662 18462 259 1 1 . 1 1 517 517 SER HA H 517 4.359 4.359 4.273 0.086 18462 260 1 1 . 1 1 517 517 SER C C 517 177.067 177.067 175.724 1.343 18462 261 1 1 . 1 1 517 517 SER CA C 517 58.758 58.758 60.760 -2.002 18462 262 1 1 . 1 1 517 517 SER CB C 517 63.447 63.447 63.819 -0.372 18462 263 1 1 . 1 1 517 517 SER H H 517 7.886 7.886 7.645 0.241 18462 264 1 1 . 1 1 518 518 TRP N N 518 122.824 122.824 118.484 4.340 18462 265 1 1 . 1 1 518 518 TRP HA H 518 4.005 4.005 4.388 -0.383 18462 266 1 1 . 1 1 518 518 TRP C C 518 175.133 175.133 175.747 -0.614 18462 267 1 1 . 1 1 518 518 TRP CA C 518 57.820 57.820 58.528 -0.708 18462 268 1 1 . 1 1 518 518 TRP CB C 518 25.710 25.710 26.794 -1.083 18462 269 1 1 . 1 1 518 518 TRP H H 518 9.274 9.274 7.686 1.588 18462 270 1 1 . 1 1 519 519 GLU N N 519 119.673 119.673 117.424 2.249 18462 271 1 1 . 1 1 519 519 GLU HA H 519 4.042 4.042 4.149 -0.107 18462 272 1 1 . 1 1 519 519 GLU C C 519 175.353 175.353 176.666 -1.313 18462 273 1 1 . 1 1 519 519 GLU CA C 519 58.758 58.758 58.275 0.483 18462 274 1 1 . 1 1 519 519 GLU CB C 519 29.695 29.695 30.496 -0.801 18462 275 1 1 . 1 1 519 519 GLU H H 519 7.828 7.828 7.746 0.082 18462 276 1 1 . 1 1 520 520 LYS N N 520 118.358 118.358 119.178 -0.820 18462 277 1 1 . 1 1 520 520 LYS HA H 520 4.544 4.544 4.373 0.171 18462 278 1 1 . 1 1 520 520 LYS C C 520 178.036 178.036 174.883 3.153 18462 279 1 1 . 1 1 520 520 LYS CA C 520 53.845 53.845 54.907 -1.062 18462 280 1 1 . 1 1 520 520 LYS CB C 520 34.385 34.385 33.706 0.679 18462 281 1 1 . 1 1 520 520 LYS H H 520 9.085 9.085 8.124 0.961 18462 282 1 1 . 1 1 521 521 LYS N N 521 118.859 118.859 123.414 -4.555 18462 283 1 1 . 1 1 521 521 LYS HA H 521 4.658 4.658 4.316 0.342 18462 284 1 1 . 1 1 521 521 LYS C C 521 175.168 175.168 175.833 -0.665 18462 285 1 1 . 1 1 521 521 LYS CA C 521 54.537 54.537 55.894 -1.357 18462 286 1 1 . 1 1 521 521 LYS CB C 521 35.323 35.323 33.742 1.581 18462 287 1 1 . 1 1 521 521 LYS H H 521 8.238 8.238 8.290 -0.052 18462 288 1 1 . 1 1 522 522 TYR N N 522 117.305 117.305 122.080 -4.775 18462 289 1 1 . 1 1 522 522 TYR HA H 522 5.028 5.028 4.932 0.096 18462 290 1 1 . 1 1 522 522 TYR C C 522 175.016 175.016 173.918 1.098 18462 291 1 1 . 1 1 522 522 TYR CA C 522 54.537 54.537 55.083 -0.546 18462 292 1 1 . 1 1 522 522 TYR CB C 522 37.198 37.198 38.364 -1.166 18462 293 1 1 . 1 1 522 522 TYR H H 522 7.788 7.788 8.633 -0.845 18462 294 1 1 . 1 1 523 523 PRO HA H 523 5.026 5.026 4.986 0.040 18462 295 1 1 . 1 1 523 523 PRO CA C 523 61.806 61.806 62.331 -0.525 18462 296 1 1 . 1 1 523 523 PRO CB C 523 31.839 31.839 32.587 -0.748 18462 297 1 1 . 1 1 524 524 CYS N N 524 126.569 126.569 123.103 3.466 18462 298 1 1 . 1 1 524 524 CYS HA H 524 4.739 4.739 4.856 -0.117 18462 299 1 1 . 1 1 524 524 CYS C C 524 176.841 176.841 175.945 0.896 18462 300 1 1 . 1 1 524 524 CYS CA C 524 60.290 60.290 58.311 1.979 18462 301 1 1 . 1 1 524 524 CYS CB C 524 29.344 29.344 29.231 0.113 18462 302 1 1 . 1 1 524 524 CYS H H 524 9.210 9.210 8.706 0.504 18462 303 1 1 . 1 1 525 525 ARG N N 525 130.294 130.294 120.469 9.825 18462 304 1 1 . 1 1 525 525 ARG HA H 525 4.285 4.285 4.349 -0.064 18462 305 1 1 . 1 1 525 525 ARG C C 525 176.390 176.390 176.926 -0.536 18462 306 1 1 . 1 1 525 525 ARG CA C 525 58.043 58.043 57.611 0.431 18462 307 1 1 . 1 1 525 525 ARG CB C 525 27.576 27.576 29.555 -1.979 18462 308 1 1 . 1 1 525 525 ARG H H 525 9.724 9.724 8.691 1.033 18462 309 1 1 . 1 1 526 526 TYR N N 526 122.622 122.622 117.964 4.658 18462 310 1 1 . 1 1 526 526 TYR HA H 526 4.517 4.517 4.353 0.164 18462 311 1 1 . 1 1 526 526 TYR C C 526 176.659 176.659 175.887 0.772 18462 312 1 1 . 1 1 526 526 TYR CA C 526 58.054 58.054 58.309 -0.255 18462 313 1 1 . 1 1 526 526 TYR CB C 526 37.628 37.628 37.889 -0.261 18462 314 1 1 . 1 1 526 526 TYR H H 526 10.439 10.439 8.100 2.339 18462 315 1 1 . 1 1 527 527 CYS N N 527 122.873 122.873 115.106 7.767 18462 316 1 1 . 1 1 527 527 CYS HA H 527 5.153 5.153 4.931 0.222 18462 317 1 1 . 1 1 527 527 CYS C C 527 175.243 175.243 174.842 0.401 18462 318 1 1 . 1 1 527 527 CYS CA C 527 58.148 58.148 55.915 2.233 18462 319 1 1 . 1 1 527 527 CYS CB C 527 30.164 30.164 31.387 -1.224 18462 320 1 1 . 1 1 527 527 CYS H H 527 8.462 8.462 7.473 0.989 18462 321 1 1 . 1 1 528 528 GLU N N 528 115.906 115.906 118.331 -2.425 18462 322 1 1 . 1 1 528 528 GLU HA H 528 4.453 4.453 4.241 0.212 18462 323 1 1 . 1 1 528 528 GLU C C 528 173.484 173.484 176.559 -3.075 18462 324 1 1 . 1 1 528 528 GLU CA C 528 57.390 57.390 56.484 0.906 18462 325 1 1 . 1 1 528 528 GLU CB C 528 29.608 29.608 29.164 0.444 18462 326 1 1 . 1 1 528 528 GLU H H 528 8.704 8.704 8.589 0.115 18462 327 1 1 . 1 1 529 529 LYS N N 529 125.068 125.068 121.980 3.088 18462 328 1 1 . 1 1 529 529 LYS HA H 529 4.041 4.041 4.230 -0.189 18462 329 1 1 . 1 1 529 529 LYS C C 529 176.881 176.881 174.915 1.966 18462 330 1 1 . 1 1 529 529 LYS CA C 529 57.585 57.585 57.022 0.563 18462 331 1 1 . 1 1 529 529 LYS CB C 529 33.212 33.212 33.316 -0.104 18462 332 1 1 . 1 1 529 529 LYS H H 529 8.696 8.696 7.627 1.069 18462 333 1 1 . 1 1 530 530 VAL N N 530 119.525 119.525 122.972 -3.447 18462 334 1 1 . 1 1 530 530 VAL HA H 530 4.541 4.541 4.484 0.057 18462 335 1 1 . 1 1 530 530 VAL C C 530 175.118 175.118 175.505 -0.387 18462 336 1 1 . 1 1 530 530 VAL CA C 530 60.633 60.633 60.960 -0.327 18462 337 1 1 . 1 1 530 530 VAL CB C 530 34.150 34.150 34.108 0.042 18462 338 1 1 . 1 1 530 530 VAL H H 530 8.054 8.054 8.199 -0.145 18462 339 1 1 . 1 1 531 531 PHE N N 531 122.568 122.568 125.881 -3.313 18462 340 1 1 . 1 1 531 531 PHE C C 531 174.185 174.185 174.455 -0.270 18462 341 1 1 . 1 1 531 531 PHE CA C 531 55.586 55.586 55.213 0.373 18462 342 1 1 . 1 1 531 531 PHE CB C 531 41.184 41.184 40.510 0.674 18462 343 1 1 . 1 1 531 531 PHE H H 531 8.167 8.167 8.881 -0.714 18462 344 1 1 . 1 1 532 532 PRO HA H 532 4.359 4.359 4.016 0.343 18462 345 1 1 . 1 1 532 532 PRO CA C 532 62.216 62.216 62.973 -0.757 18462 346 1 1 . 1 1 532 532 PRO CB C 532 29.930 29.930 31.919 -1.989 18462 347 1 1 . 1 1 533 533 LEU N N 533 122.335 122.335 117.838 4.497 18462 348 1 1 . 1 1 533 533 LEU HA H 533 4.086 4.086 4.182 -0.096 18462 349 1 1 . 1 1 533 533 LEU C C 533 175.091 175.091 176.696 -1.605 18462 350 1 1 . 1 1 533 533 LEU CA C 533 55.006 55.006 52.994 2.012 18462 351 1 1 . 1 1 533 533 LEU CB C 533 43.529 43.529 44.503 -0.974 18462 352 1 1 . 1 1 533 533 LEU H H 533 6.587 6.587 7.440 -0.853 18462 353 1 1 . 1 1 534 534 ALA N N 534 126.722 126.722 126.236 0.486 18462 354 1 1 . 1 1 534 534 ALA HA H 534 2.993 2.993 3.318 -0.325 18462 355 1 1 . 1 1 534 534 ALA C C 534 175.439 175.439 178.669 -3.230 18462 356 1 1 . 1 1 534 534 ALA CA C 534 54.537 54.537 54.999 -0.462 18462 357 1 1 . 1 1 534 534 ALA CB C 534 18.452 18.452 17.497 0.955 18462 358 1 1 . 1 1 534 534 ALA H H 534 7.698 7.698 7.983 -0.285 18462 359 1 1 . 1 1 535 535 GLU N N 535 119.354 119.354 118.040 1.314 18462 360 1 1 . 1 1 535 535 GLU HA H 535 4.675 4.675 4.031 0.644 18462 361 1 1 . 1 1 535 535 GLU C C 535 180.126 180.126 178.403 1.723 18462 362 1 1 . 1 1 535 535 GLU CA C 535 58.526 58.526 59.094 -0.569 18462 363 1 1 . 1 1 535 535 GLU H H 535 9.535 9.535 8.691 0.844 18462 364 1 1 . 1 1 536 536 TYR N N 536 114.592 114.592 119.796 -5.204 18462 365 1 1 . 1 1 536 536 TYR HA H 536 4.368 4.368 4.154 0.214 18462 366 1 1 . 1 1 536 536 TYR C C 536 178.004 178.004 178.040 -0.036 18462 367 1 1 . 1 1 536 536 TYR CA C 536 56.179 56.179 58.301 -2.122 18462 368 1 1 . 1 1 536 536 TYR CB C 536 35.556 35.556 37.461 -1.905 18462 369 1 1 . 1 1 536 536 TYR H H 536 6.552 6.552 8.006 -1.454 18462 370 1 1 . 1 1 537 537 ARG N N 537 119.820 119.820 119.346 0.474 18462 371 1 1 . 1 1 537 537 ARG HA H 537 3.209 3.209 2.995 0.214 18462 372 1 1 . 1 1 537 537 ARG C C 537 179.469 179.469 178.367 1.102 18462 373 1 1 . 1 1 537 537 ARG CA C 537 59.131 59.131 59.783 -0.652 18462 374 1 1 . 1 1 537 537 ARG CB C 537 27.179 27.179 29.996 -2.817 18462 375 1 1 . 1 1 537 537 ARG H H 537 7.016 7.016 7.525 -0.509 18462 376 1 1 . 1 1 538 538 THR N N 538 120.080 120.080 116.821 3.259 18462 377 1 1 . 1 1 538 538 THR HA H 538 3.939 3.939 4.009 -0.070 18462 378 1 1 . 1 1 538 538 THR C C 538 177.538 177.538 176.828 0.710 18462 379 1 1 . 1 1 538 538 THR CA C 538 66.026 66.026 66.633 -0.607 18462 380 1 1 . 1 1 538 538 THR CB C 538 66.964 66.964 68.391 -1.427 18462 381 1 1 . 1 1 538 538 THR H H 538 8.410 8.410 8.297 0.113 18462 382 1 1 . 1 1 539 539 LYS N N 539 117.252 117.252 119.729 -2.477 18462 383 1 1 . 1 1 539 539 LYS HA H 539 4.054 4.054 4.069 -0.015 18462 384 1 1 . 1 1 539 539 LYS C C 539 176.139 176.139 179.118 -2.979 18462 385 1 1 . 1 1 539 539 LYS CA C 539 57.116 57.116 58.769 -1.653 18462 386 1 1 . 1 1 539 539 LYS CB C 539 31.859 31.859 31.938 -0.079 18462 387 1 1 . 1 1 539 539 LYS H H 539 8.012 8.012 8.512 -0.500 18462 388 1 1 . 1 1 540 540 HIS N N 540 118.983 118.983 119.351 -0.368 18462 389 1 1 . 1 1 540 540 HIS HA H 540 4.548 4.548 4.283 0.265 18462 390 1 1 . 1 1 540 540 HIS C C 540 179.568 179.568 177.435 2.133 18462 391 1 1 . 1 1 540 540 HIS CA C 540 58.758 58.758 59.552 -0.794 18462 392 1 1 . 1 1 540 540 HIS CB C 540 28.260 28.260 29.729 -1.469 18462 393 1 1 . 1 1 540 540 HIS H H 540 7.536 7.536 7.899 -0.363 18462 394 1 1 . 1 1 541 541 GLU N N 541 122.073 122.073 119.783 2.290 18462 395 1 1 . 1 1 541 541 GLU HA H 541 4.215 4.215 4.336 -0.121 18462 396 1 1 . 1 1 541 541 GLU C C 541 177.829 177.829 178.920 -1.091 18462 397 1 1 . 1 1 541 541 GLU CA C 541 61.181 61.181 59.255 1.926 18462 398 1 1 . 1 1 541 541 GLU CB C 541 29.712 29.712 29.721 -0.009 18462 399 1 1 . 1 1 541 541 GLU H H 541 9.540 9.540 8.477 1.063 18462 400 1 1 . 1 1 542 542 ILE N N 542 121.307 121.307 119.920 1.387 18462 401 1 1 . 1 1 542 542 ILE HA H 542 4.335 4.335 3.870 0.465 18462 402 1 1 . 1 1 542 542 ILE C C 542 179.666 179.666 177.733 1.933 18462 403 1 1 . 1 1 542 542 ILE CA C 542 61.806 61.806 65.190 -3.384 18462 404 1 1 . 1 1 542 542 ILE CB C 542 36.729 36.729 38.132 -1.403 18462 405 1 1 . 1 1 542 542 ILE H H 542 8.275 8.275 8.357 -0.082 18462 406 1 1 . 1 1 543 543 HIS N N 543 118.514 118.514 119.187 -0.673 18462 407 1 1 . 1 1 543 543 HIS HA H 543 4.257 4.257 4.419 -0.162 18462 408 1 1 . 1 1 543 543 HIS C C 543 178.283 178.283 176.979 1.304 18462 409 1 1 . 1 1 543 543 HIS CA C 543 58.758 58.758 58.806 -0.048 18462 410 1 1 . 1 1 543 543 HIS CB C 543 26.882 26.882 29.698 -2.816 18462 411 1 1 . 1 1 543 543 HIS H H 543 7.744 7.744 7.651 0.093 18462 412 1 1 . 1 1 544 544 HIS N N 544 115.805 115.805 117.324 -1.519 18462 413 1 1 . 1 1 544 544 HIS HA H 544 4.317 4.317 4.415 -0.098 18462 414 1 1 . 1 1 544 544 HIS C C 544 178.058 178.058 176.948 1.110 18462 415 1 1 . 1 1 544 544 HIS CA C 544 58.054 58.054 58.586 -0.532 18462 416 1 1 . 1 1 544 544 HIS CB C 544 36.882 36.882 30.439 6.443 18462 417 1 1 . 1 1 544 544 HIS H H 544 7.537 7.537 7.799 -0.262 18462 418 1 1 . 1 1 545 545 THR N N 545 109.469 109.469 110.787 -1.318 18462 419 1 1 . 1 1 545 545 THR HA H 545 4.184 4.184 4.135 0.049 18462 420 1 1 . 1 1 545 545 THR C C 545 177.277 177.277 175.895 1.382 18462 421 1 1 . 1 1 545 545 THR CA C 545 62.509 62.509 63.559 -1.050 18462 422 1 1 . 1 1 545 545 THR CB C 545 68.839 68.839 70.117 -1.278 18462 423 1 1 . 1 1 545 545 THR H H 545 7.991 7.991 8.088 -0.097 18462 424 1 1 . 1 1 546 546 GLY N N 546 113.407 113.407 109.977 3.430 18462 425 1 1 . 1 1 546 546 GLY C C 546 177.501 177.501 173.707 3.794 18462 426 1 1 . 1 1 546 546 GLY CA C 546 44.935 44.935 44.789 0.146 18462 427 1 1 . 1 1 546 546 GLY H H 546 8.530 8.530 8.184 0.346 18462 428 1 1 . 1 1 547 547 GLU N N 547 123.901 123.901 120.494 3.407 18462 429 1 1 . 1 1 547 547 GLU HA H 547 3.913 3.913 4.074 -0.161 18462 430 1 1 . 1 1 547 547 GLU C C 547 173.687 173.687 176.435 -2.748 18462 431 1 1 . 1 1 547 547 GLU CA C 547 56.413 56.413 56.567 -0.154 18462 432 1 1 . 1 1 547 547 GLU CB C 547 29.123 29.123 30.123 -1.000 18462 433 1 1 . 1 1 547 547 GLU H H 547 7.301 7.301 7.617 -0.316 18462 434 1 1 . 1 1 548 548 ARG N N 548 128.505 128.505 127.435 1.070 18462 435 1 1 . 1 1 548 548 ARG HA H 548 4.444 4.444 4.524 -0.080 18462 436 1 1 . 1 1 548 548 ARG C C 548 175.180 175.180 176.524 -1.344 18462 437 1 1 . 1 1 548 548 ARG CA C 548 55.059 55.059 54.900 0.159 18462 438 1 1 . 1 1 548 548 ARG CB C 548 29.227 29.227 28.174 1.053 18462 439 1 1 . 1 1 548 548 ARG H H 548 8.752 8.752 8.505 0.247 18462 440 1 1 . 1 1 549 549 ARG N N 549 121.815 121.815 120.011 1.804 18462 441 1 1 . 1 1 549 549 ARG HA H 549 4.205 4.205 4.153 0.052 18462 442 1 1 . 1 1 549 549 ARG C C 549 175.850 175.850 176.531 -0.681 18462 443 1 1 . 1 1 549 549 ARG CA C 549 57.350 57.350 59.105 -1.755 18462 444 1 1 . 1 1 549 549 ARG CB C 549 32.980 32.980 31.124 1.856 18462 445 1 1 . 1 1 549 549 ARG H H 549 9.440 9.440 7.841 1.599 18462 446 1 1 . 1 1 550 550 TYR N N 550 116.087 116.087 118.294 -2.207 18462 447 1 1 . 1 1 550 550 TYR C C 550 176.129 176.129 174.723 1.406 18462 448 1 1 . 1 1 550 550 TYR CA C 550 58.169 58.169 57.365 0.804 18462 449 1 1 . 1 1 550 550 TYR CB C 550 38.994 38.994 38.253 0.741 18462 450 1 1 . 1 1 550 550 TYR H H 550 8.287 8.287 8.064 0.223 18462 451 1 1 . 1 1 551 551 GLN N N 551 125.096 125.096 124.931 0.165 18462 452 1 1 . 1 1 551 551 GLN HA H 551 5.275 5.275 5.183 0.092 18462 453 1 1 . 1 1 551 551 GLN C C 551 175.080 175.080 174.774 0.306 18462 454 1 1 . 1 1 551 551 GLN CA C 551 53.610 53.610 54.238 -0.628 18462 455 1 1 . 1 1 551 551 GLN CB C 551 31.152 31.152 32.413 -1.261 18462 456 1 1 . 1 1 551 551 GLN H H 551 9.656 9.656 9.201 0.455 18462 457 1 1 . 1 1 552 552 CYS N N 552 128.697 128.697 125.670 3.027 18462 458 1 1 . 1 1 552 552 CYS HA H 552 4.584 4.584 4.867 -0.283 18462 459 1 1 . 1 1 552 552 CYS C C 552 175.231 175.231 175.342 -0.111 18462 460 1 1 . 1 1 552 552 CYS CA C 552 59.461 59.461 59.931 -0.470 18462 461 1 1 . 1 1 552 552 CYS CB C 552 29.695 29.695 28.617 1.078 18462 462 1 1 . 1 1 552 552 CYS H H 552 9.427 9.427 9.290 0.137 18462 463 1 1 . 1 1 553 553 LEU N N 553 130.168 130.168 125.161 5.007 18462 464 1 1 . 1 1 553 553 LEU HA H 553 4.396 4.396 4.518 -0.122 18462 465 1 1 . 1 1 553 553 LEU C C 553 177.402 177.402 178.010 -0.608 18462 466 1 1 . 1 1 553 553 LEU CA C 553 55.710 55.710 56.107 -0.397 18462 467 1 1 . 1 1 553 553 LEU CB C 553 40.246 40.246 42.240 -1.994 18462 468 1 1 . 1 1 553 553 LEU H H 553 8.632 8.632 9.025 -0.393 18462 469 1 1 . 1 1 554 554 ALA N N 554 125.048 125.048 123.254 1.794 18462 470 1 1 . 1 1 554 554 ALA HA H 554 4.295 4.295 4.133 0.162 18462 471 1 1 . 1 1 554 554 ALA C C 554 177.657 177.657 178.150 -0.493 18462 472 1 1 . 1 1 554 554 ALA CA C 554 53.610 53.610 54.341 -0.731 18462 473 1 1 . 1 1 554 554 ALA CB C 554 16.577 16.577 18.837 -2.260 18462 474 1 1 . 1 1 554 554 ALA H H 554 8.847 8.847 8.196 0.651 18462 475 1 1 . 1 1 555 555 CYS N N 555 113.388 113.388 112.561 0.827 18462 476 1 1 . 1 1 555 555 CYS HA H 555 5.299 5.299 5.000 0.299 18462 477 1 1 . 1 1 555 555 CYS C C 555 178.854 178.854 175.868 2.986 18462 478 1 1 . 1 1 555 555 CYS CA C 555 57.820 57.820 57.229 0.591 18462 479 1 1 . 1 1 555 555 CYS CB C 555 31.665 31.665 29.500 2.165 18462 480 1 1 . 1 1 555 555 CYS H H 555 8.146 8.146 7.832 0.314 18462 481 1 1 . 1 1 556 556 GLY N N 556 114.264 114.264 109.787 4.477 18462 482 1 1 . 1 1 556 556 GLY C C 556 176.084 176.084 174.720 1.364 18462 483 1 1 . 1 1 556 556 GLY CA C 556 45.639 45.639 45.564 0.075 18462 484 1 1 . 1 1 556 556 GLY H H 556 8.104 8.104 8.520 -0.416 18462 485 1 1 . 1 1 557 557 LYS N N 557 123.318 123.318 121.172 2.146 18462 486 1 1 . 1 1 557 557 LYS HA H 557 4.110 4.110 4.098 0.012 18462 487 1 1 . 1 1 557 557 LYS C C 557 174.300 174.300 175.678 -1.378 18462 488 1 1 . 1 1 557 557 LYS CA C 557 57.585 57.585 56.770 0.815 18462 489 1 1 . 1 1 557 557 LYS CB C 557 33.447 33.447 33.035 0.412 18462 490 1 1 . 1 1 557 557 LYS H H 557 8.043 8.043 7.608 0.435 18462 491 1 1 . 1 1 558 558 SER N N 558 115.947 115.947 116.647 -0.700 18462 492 1 1 . 1 1 558 558 SER HA H 558 5.661 5.661 5.162 0.499 18462 493 1 1 . 1 1 558 558 SER C C 558 174.321 174.321 173.298 1.023 18462 494 1 1 . 1 1 558 558 SER CA C 558 56.179 56.179 57.226 -1.047 18462 495 1 1 . 1 1 558 558 SER CB C 558 65.088 65.088 65.117 -0.029 18462 496 1 1 . 1 1 558 558 SER H H 558 7.864 7.864 8.109 -0.245 18462 497 1 1 . 1 1 559 559 PHE N N 559 117.815 117.815 120.496 -2.681 18462 498 1 1 . 1 1 559 559 PHE HA H 559 4.781 4.781 4.761 0.020 18462 499 1 1 . 1 1 559 559 PHE C C 559 173.632 173.632 175.527 -1.895 18462 500 1 1 . 1 1 559 559 PHE CA C 559 56.687 56.687 57.037 -0.350 18462 501 1 1 . 1 1 559 559 PHE CB C 559 44.232 44.232 42.201 2.031 18462 502 1 1 . 1 1 559 559 PHE H H 559 9.488 9.488 9.119 0.369 18462 503 1 1 . 1 1 560 560 ILE N N 560 118.092 118.092 119.556 -1.464 18462 504 1 1 . 1 1 560 560 ILE HA H 560 4.470 4.470 4.293 0.177 18462 505 1 1 . 1 1 560 560 ILE C C 560 175.986 175.986 175.111 0.875 18462 506 1 1 . 1 1 560 560 ILE CA C 560 62.040 62.040 62.793 -0.753 18462 507 1 1 . 1 1 560 560 ILE CB C 560 39.308 39.308 38.325 0.983 18462 508 1 1 . 1 1 560 560 ILE H H 560 9.306 9.306 8.516 0.790 18462 509 1 1 . 1 1 561 561 ASN N N 561 114.751 114.751 114.203 0.548 18462 510 1 1 . 1 1 561 561 ASN HA H 561 4.683 4.683 4.870 -0.187 18462 511 1 1 . 1 1 561 561 ASN C C 561 175.350 175.350 174.321 1.029 18462 512 1 1 . 1 1 561 561 ASN CA C 561 50.797 50.797 51.969 -1.172 18462 513 1 1 . 1 1 561 561 ASN CB C 561 39.777 39.777 39.628 0.149 18462 514 1 1 . 1 1 561 561 ASN H H 561 7.387 7.387 7.614 -0.227 18462 515 1 1 . 1 1 562 562 TYR N N 562 118.833 118.833 121.024 -2.191 18462 516 1 1 . 1 1 562 562 TYR C C 562 172.730 172.730 176.768 -4.038 18462 517 1 1 . 1 1 562 562 TYR CA C 562 59.907 59.907 61.724 -1.817 18462 518 1 1 . 1 1 562 562 TYR CB C 562 38.480 38.480 38.304 0.176 18462 519 1 1 . 1 1 562 562 TYR H H 562 8.243 8.243 8.539 -0.296 18462 520 1 1 . 1 1 563 563 GLN N N 563 119.525 119.525 118.432 1.093 18462 521 1 1 . 1 1 563 563 GLN HA H 563 3.720 3.720 3.977 -0.257 18462 522 1 1 . 1 1 563 563 GLN C C 563 176.326 176.326 178.332 -2.006 18462 523 1 1 . 1 1 563 563 GLN CA C 563 61.102 61.102 59.730 1.371 18462 524 1 1 . 1 1 563 563 GLN CB C 563 25.450 25.450 27.748 -2.298 18462 525 1 1 . 1 1 563 563 GLN H H 563 8.524 8.524 8.392 0.132 18462 526 1 1 . 1 1 564 564 PHE N N 564 118.625 118.625 119.556 -0.931 18462 527 1 1 . 1 1 564 564 PHE HA H 564 4.427 4.427 4.182 0.245 18462 528 1 1 . 1 1 564 564 PHE C C 564 179.429 179.429 177.645 1.784 18462 529 1 1 . 1 1 564 564 PHE CA C 564 59.461 59.461 60.976 -1.515 18462 530 1 1 . 1 1 564 564 PHE CB C 564 38.488 38.488 38.680 -0.192 18462 531 1 1 . 1 1 564 564 PHE H H 564 8.904 8.904 8.946 -0.042 18462 532 1 1 . 1 1 565 565 MET N N 565 120.996 120.996 120.588 0.408 18462 533 1 1 . 1 1 565 565 MET HA H 565 3.720 3.720 3.030 0.690 18462 534 1 1 . 1 1 565 565 MET C C 565 178.642 178.642 177.597 1.045 18462 535 1 1 . 1 1 565 565 MET CA C 565 58.037 58.037 59.265 -1.228 18462 536 1 1 . 1 1 565 565 MET H H 565 7.153 7.153 7.730 -0.577 18462 537 1 1 . 1 1 566 566 SER N N 566 115.706 115.706 114.521 1.185 18462 538 1 1 . 1 1 566 566 SER HA H 566 3.720 3.720 3.823 -0.103 18462 539 1 1 . 1 1 566 566 SER C C 566 176.710 176.710 176.419 0.291 18462 540 1 1 . 1 1 566 566 SER CA C 566 60.633 60.633 61.348 -0.715 18462 541 1 1 . 1 1 566 566 SER CB C 566 62.040 62.040 62.836 -0.796 18462 542 1 1 . 1 1 566 566 SER H H 566 8.918 8.918 8.223 0.695 18462 543 1 1 . 1 1 567 567 SER N N 567 114.335 114.335 117.310 -2.975 18462 544 1 1 . 1 1 567 567 SER HA H 567 4.212 4.212 4.010 0.202 18462 545 1 1 . 1 1 567 567 SER C C 567 176.849 176.849 176.402 0.447 18462 546 1 1 . 1 1 567 567 SER CA C 567 60.868 60.868 61.439 -0.571 18462 547 1 1 . 1 1 567 567 SER CB C 567 61.806 61.806 63.141 -1.335 18462 548 1 1 . 1 1 567 567 SER H H 567 7.933 7.933 7.700 0.233 18462 549 1 1 . 1 1 568 568 HIS N N 568 120.659 120.659 122.122 -1.463 18462 550 1 1 . 1 1 568 568 HIS HA H 568 4.327 4.327 4.312 0.015 18462 551 1 1 . 1 1 568 568 HIS C C 568 177.652 177.652 177.622 0.030 18462 552 1 1 . 1 1 568 568 HIS CA C 568 58.992 58.992 59.085 -0.093 18462 553 1 1 . 1 1 568 568 HIS CB C 568 27.234 27.234 29.315 -2.081 18462 554 1 1 . 1 1 568 568 HIS H H 568 7.594 7.594 8.094 -0.500 18462 555 1 1 . 1 1 569 569 ILE N N 569 120.858 120.858 119.568 1.290 18462 556 1 1 . 1 1 569 569 ILE HA H 569 3.562 3.562 3.476 0.086 18462 557 1 1 . 1 1 569 569 ILE C C 569 175.925 175.925 178.200 -2.275 18462 558 1 1 . 1 1 569 569 ILE CA C 569 66.729 66.729 65.112 1.617 18462 559 1 1 . 1 1 569 569 ILE CB C 569 37.198 37.198 37.647 -0.449 18462 560 1 1 . 1 1 569 569 ILE H H 569 8.640 8.640 8.188 0.452 18462 561 1 1 . 1 1 570 570 LYS N N 570 118.876 118.876 120.082 -1.206 18462 562 1 1 . 1 1 570 570 LYS HA H 570 4.329 4.329 4.174 0.155 18462 563 1 1 . 1 1 570 570 LYS C C 570 178.927 178.927 179.261 -0.334 18462 564 1 1 . 1 1 570 570 LYS CA C 570 59.461 59.461 59.527 -0.066 18462 565 1 1 . 1 1 570 570 LYS CB C 570 32.743 32.743 32.691 0.052 18462 566 1 1 . 1 1 570 570 LYS H H 570 8.463 8.463 8.059 0.404 18462 567 1 1 . 1 1 571 571 SER N N 571 112.612 112.612 113.886 -1.274 18462 568 1 1 . 1 1 571 571 SER HA H 571 4.323 4.323 4.240 0.083 18462 569 1 1 . 1 1 571 571 SER C C 571 179.258 179.258 176.021 3.237 18462 570 1 1 . 1 1 571 571 SER CA C 571 59.930 59.930 61.182 -1.252 18462 571 1 1 . 1 1 571 571 SER CB C 571 62.978 62.978 63.278 -0.299 18462 572 1 1 . 1 1 571 571 SER H H 571 7.997 7.997 8.108 -0.111 18462 573 1 1 . 1 1 572 572 VAL N N 572 120.208 120.208 120.418 -0.210 18462 574 1 1 . 1 1 572 572 VAL HA H 572 3.789 3.789 3.825 -0.036 18462 575 1 1 . 1 1 572 572 VAL C C 572 176.245 176.245 177.083 -0.838 18462 576 1 1 . 1 1 572 572 VAL CA C 572 63.916 63.916 64.012 -0.096 18462 577 1 1 . 1 1 572 572 VAL CB C 572 31.337 31.337 31.890 -0.553 18462 578 1 1 . 1 1 572 572 VAL H H 572 8.615 8.615 8.042 0.573 18462 579 1 1 . 1 1 573 573 HIS N N 573 113.735 113.735 115.491 -1.756 18462 580 1 1 . 1 1 573 573 HIS HA H 573 5.102 5.102 4.710 0.392 18462 581 1 1 . 1 1 573 573 HIS C C 573 177.042 177.042 175.311 1.731 18462 582 1 1 . 1 1 573 573 HIS CA C 573 53.376 53.376 55.620 -2.244 18462 583 1 1 . 1 1 573 573 HIS CB C 573 28.210 28.210 30.805 -2.595 18462 584 1 1 . 1 1 573 573 HIS H H 573 7.067 7.067 7.462 -0.395 18462 585 1 1 . 1 1 574 574 SER N N 574 112.537 112.537 113.219 -0.682 18462 586 1 1 . 1 1 574 574 SER HA H 574 4.421 4.421 4.291 0.130 18462 587 1 1 . 1 1 574 574 SER C C 574 174.525 174.525 173.807 0.718 18462 588 1 1 . 1 1 574 574 SER CA C 574 58.054 58.054 59.780 -1.726 18462 589 1 1 . 1 1 574 574 SER CB C 574 61.102 61.102 61.680 -0.578 18462 590 1 1 . 1 1 574 574 SER H H 574 7.325 7.325 8.044 -0.719 18462 591 1 1 . 1 1 575 575 GLN N N 575 117.032 117.032 117.908 -0.876 18462 592 1 1 . 1 1 575 575 GLN HA H 575 4.659 4.659 4.608 0.051 18462 593 1 1 . 1 1 575 575 GLN C C 575 173.993 173.993 173.667 0.326 18462 594 1 1 . 1 1 575 575 GLN CA C 575 53.376 53.376 54.017 -0.642 18462 595 1 1 . 1 1 575 575 GLN CB C 575 32.743 32.743 32.682 0.061 18462 596 1 1 . 1 1 575 575 GLN H H 575 7.480 7.480 7.316 0.164 18462 597 1 1 . 1 1 576 576 ASP N N 576 118.953 118.953 120.469 -1.516 18462 598 1 1 . 1 1 576 576 ASP HA H 576 4.992 4.992 5.012 -0.020 18462 599 1 1 . 1 1 576 576 ASP C C 576 173.387 173.387 176.373 -2.986 18462 600 1 1 . 1 1 576 576 ASP CA C 576 50.094 50.094 49.880 0.214 18462 601 1 1 . 1 1 576 576 ASP CB C 576 41.301 41.301 42.041 -0.740 18462 602 1 1 . 1 1 576 576 ASP H H 576 8.173 8.173 8.651 -0.478 18462 603 1 1 . 1 1 577 577 PRO HA H 577 4.629 4.629 4.461 0.168 18462 604 1 1 . 1 1 577 577 PRO CA C 577 63.212 63.212 64.340 -1.128 18462 605 1 1 . 1 1 577 577 PRO CB C 577 31.806 31.806 32.165 -0.359 18462 606 1 1 . 1 1 578 578 SER N N 578 114.986 114.986 113.272 1.714 18462 607 1 1 . 1 1 578 578 SER HA H 578 4.820 4.820 4.538 0.282 18462 608 1 1 . 1 1 578 578 SER C C 578 176.301 176.301 175.538 0.763 18462 609 1 1 . 1 1 578 578 SER CA C 578 58.054 58.054 58.106 -0.052 18462 610 1 1 . 1 1 578 578 SER CB C 578 63.447 63.447 63.339 0.108 18462 611 1 1 . 1 1 578 578 SER H H 578 8.387 8.387 8.392 -0.005 18462 612 1 1 . 1 1 579 579 GLY N N 579 111.279 111.279 109.607 1.672 18462 613 1 1 . 1 1 579 579 GLY C C 579 175.262 175.262 174.184 1.078 18462 614 1 1 . 1 1 579 579 GLY CA C 579 44.935 44.935 44.565 0.370 18462 615 1 1 . 1 1 579 579 GLY H H 579 8.554 8.554 7.587 0.967 18462 616 1 1 . 1 1 580 580 ASP N N 580 121.402 121.402 119.904 1.498 18462 617 1 1 . 1 1 580 580 ASP HA H 580 4.700 4.700 4.792 -0.092 18462 618 1 1 . 1 1 580 580 ASP C C 580 174.329 174.329 176.054 -1.725 18462 619 1 1 . 1 1 580 580 ASP CA C 580 53.845 53.845 53.915 -0.070 18462 620 1 1 . 1 1 580 580 ASP CB C 580 40.012 40.012 41.152 -1.140 18462 621 1 1 . 1 1 580 580 ASP H H 580 8.386 8.386 8.493 -0.107 18462 622 1 1 . 1 1 581 581 SER N N 581 115.668 115.668 115.929 -0.261 18462 623 1 1 . 1 1 581 581 SER HA H 581 4.421 4.421 4.566 -0.145 18462 624 1 1 . 1 1 581 581 SER C C 581 176.108 176.108 173.742 2.366 18462 625 1 1 . 1 1 581 581 SER CA C 581 58.054 58.054 58.765 -0.711 18462 626 1 1 . 1 1 581 581 SER CB C 581 63.212 63.212 64.839 -1.627 18462 627 1 1 . 1 1 581 581 SER H H 581 8.015 8.015 8.349 -0.334 18462 628 1 1 . 1 1 582 582 LYS N N 582 120.544 120.544 119.419 1.125 18462 629 1 1 . 1 1 582 582 LYS HA H 582 4.329 4.329 4.075 0.254 18462 630 1 1 . 1 1 582 582 LYS C C 582 174.302 174.302 175.398 -1.096 18462 631 1 1 . 1 1 582 582 LYS CA C 582 55.944 55.944 56.828 -0.883 18462 632 1 1 . 1 1 582 582 LYS CB C 582 30.868 30.868 31.105 -0.237 18462 633 1 1 . 1 1 582 582 LYS H H 582 8.453 8.453 8.308 0.145 18462 634 1 1 . 1 1 583 583 LEU N N 583 119.514 119.514 118.410 1.104 18462 635 1 1 . 1 1 583 583 LEU HA H 583 4.458 4.458 4.404 0.054 18462 636 1 1 . 1 1 583 583 LEU C C 583 176.924 176.924 175.084 1.840 18462 637 1 1 . 1 1 583 583 LEU CA C 583 54.303 54.303 54.708 -0.405 18462 638 1 1 . 1 1 583 583 LEU CB C 583 43.060 43.060 41.918 1.142 18462 639 1 1 . 1 1 583 583 LEU H H 583 8.391 8.391 8.024 0.367 18462 640 1 1 . 1 1 584 584 TYR N N 584 115.291 115.291 115.386 -0.095 18462 641 1 1 . 1 1 584 584 TYR HA H 584 5.714 5.714 5.522 0.192 18462 642 1 1 . 1 1 584 584 TYR C C 584 175.675 175.675 173.616 2.059 18462 643 1 1 . 1 1 584 584 TYR CA C 584 54.303 54.303 55.201 -0.898 18462 644 1 1 . 1 1 584 584 TYR CB C 584 42.420 42.420 42.145 0.275 18462 645 1 1 . 1 1 584 584 TYR H H 584 7.625 7.625 7.221 0.404 18462 646 1 1 . 1 1 585 585 ARG N N 585 120.321 120.321 121.670 -1.349 18462 647 1 1 . 1 1 585 585 ARG HA H 585 4.407 4.407 4.643 -0.236 18462 648 1 1 . 1 1 585 585 ARG C C 585 172.342 172.342 174.004 -1.662 18462 649 1 1 . 1 1 585 585 ARG CA C 585 53.376 53.376 54.413 -1.037 18462 650 1 1 . 1 1 585 585 ARG CB C 585 33.916 33.916 34.663 -0.747 18462 651 1 1 . 1 1 585 585 ARG H H 585 9.141 9.141 9.100 0.041 18462 652 1 1 . 1 1 586 586 LEU N N 586 129.013 129.013 127.420 1.593 18462 653 1 1 . 1 1 586 586 LEU HA H 586 4.768 4.768 4.821 -0.053 18462 654 1 1 . 1 1 586 586 LEU C C 586 173.449 173.449 175.414 -1.965 18462 655 1 1 . 1 1 586 586 LEU CA C 586 52.438 52.438 53.778 -1.340 18462 656 1 1 . 1 1 586 586 LEU CB C 586 41.653 41.653 43.592 -1.939 18462 657 1 1 . 1 1 586 586 LEU H H 586 8.581 8.581 8.684 -0.103 18462 658 1 1 . 1 1 587 587 HIS N N 587 127.447 127.447 126.009 1.438 18462 659 1 1 . 1 1 587 587 HIS HA H 587 4.650 4.650 5.036 -0.386 18462 660 1 1 . 1 1 587 587 HIS C C 587 175.512 175.512 173.530 1.982 18462 661 1 1 . 1 1 587 587 HIS CA C 587 55.544 55.544 53.731 1.813 18462 662 1 1 . 1 1 587 587 HIS CB C 587 29.930 29.930 31.091 -1.161 18462 663 1 1 . 1 1 587 587 HIS H H 587 9.132 9.132 8.795 0.337 18462 664 1 1 . 1 1 588 588 PRO HA H 588 4.441 4.441 4.344 0.097 18462 665 1 1 . 1 1 588 588 PRO CA C 588 62.509 62.509 63.207 -0.698 18462 666 1 1 . 1 1 588 588 PRO CB C 588 31.688 31.688 32.551 -0.863 18462 667 1 1 . 1 1 589 589 CYS N N 589 124.057 124.057 121.333 2.724 18462 668 1 1 . 1 1 589 589 CYS HA H 589 4.275 4.275 4.487 -0.212 18462 669 1 1 . 1 1 589 589 CYS C C 589 174.401 174.401 174.816 -0.415 18462 670 1 1 . 1 1 589 589 CYS CA C 589 58.289 58.289 57.938 0.351 18462 671 1 1 . 1 1 589 589 CYS CB C 589 26.413 26.413 28.860 -2.447 18462 672 1 1 . 1 1 589 589 CYS H H 589 9.475 9.475 8.319 1.156 18462 673 1 1 . 1 1 590 590 ARG N N 590 130.942 130.942 126.953 3.989 18462 674 1 1 . 1 1 590 590 ARG HA H 590 4.689 4.689 4.568 0.121 18462 675 1 1 . 1 1 590 590 ARG C C 590 175.091 175.091 177.196 -2.105 18462 676 1 1 . 1 1 590 590 ARG CA C 590 55.241 55.241 56.233 -0.992 18462 677 1 1 . 1 1 590 590 ARG CB C 590 30.633 30.633 31.075 -0.442 18462 678 1 1 . 1 1 590 590 ARG H H 590 7.227 7.227 9.067 -1.840 18462 679 1 1 . 1 1 591 591 SER N N 591 117.243 117.243 116.926 0.317 18462 680 1 1 . 1 1 591 591 SER HA H 591 4.342 4.342 4.283 0.059 18462 681 1 1 . 1 1 591 591 SER C C 591 178.367 178.367 174.770 3.597 18462 682 1 1 . 1 1 591 591 SER CA C 591 59.695 59.695 61.206 -1.510 18462 683 1 1 . 1 1 591 591 SER CB C 591 61.923 61.923 63.813 -1.891 18462 684 1 1 . 1 1 591 591 SER H H 591 9.571 9.571 8.820 0.751 18462 685 1 1 . 1 1 592 592 LEU N N 592 121.308 121.308 116.808 4.500 18462 686 1 1 . 1 1 592 592 LEU HA H 592 4.778 4.778 4.728 0.050 18462 687 1 1 . 1 1 592 592 LEU C C 592 173.260 173.260 174.905 -1.645 18462 688 1 1 . 1 1 592 592 LEU CA C 592 52.846 52.846 53.602 -0.756 18462 689 1 1 . 1 1 592 592 LEU CB C 592 45.404 45.404 43.809 1.595 18462 690 1 1 . 1 1 592 592 LEU H H 592 7.369 7.369 7.278 0.091 18462 691 1 1 . 1 1 593 593 GLN N N 593 122.109 122.109 119.899 2.210 18462 692 1 1 . 1 1 593 593 GLN HA H 593 4.564 4.564 4.532 0.032 18462 693 1 1 . 1 1 593 593 GLN C C 593 175.827 175.827 175.398 0.429 18462 694 1 1 . 1 1 593 593 GLN CA C 593 54.303 54.303 55.586 -1.283 18462 695 1 1 . 1 1 593 593 GLN CB C 593 26.882 26.882 28.729 -1.847 18462 696 1 1 . 1 1 593 593 GLN H H 593 8.599 8.599 8.355 0.244 18462 697 1 1 . 1 1 594 594 ILE N N 594 118.085 118.085 118.819 -0.734 18462 698 1 1 . 1 1 594 594 ILE HA H 594 4.755 4.755 4.513 0.242 18462 699 1 1 . 1 1 594 594 ILE C C 594 175.093 175.093 174.576 0.517 18462 700 1 1 . 1 1 594 594 ILE CA C 594 58.831 58.831 59.341 -0.510 18462 701 1 1 . 1 1 594 594 ILE CB C 594 42.591 42.591 41.276 1.315 18462 702 1 1 . 1 1 594 594 ILE H H 594 7.635 7.635 8.129 -0.494 18462 703 1 1 . 1 1 595 595 ARG N N 595 123.800 123.800 121.261 2.539 18462 704 1 1 . 1 1 595 595 ARG HA H 595 4.038 4.038 4.293 -0.255 18462 705 1 1 . 1 1 595 595 ARG C C 595 175.440 175.440 175.742 -0.302 18462 706 1 1 . 1 1 595 595 ARG CA C 595 56.386 56.386 55.859 0.527 18462 707 1 1 . 1 1 595 595 ARG CB C 595 30.516 30.516 30.512 0.004 18462 708 1 1 . 1 1 595 595 ARG H H 595 9.075 9.075 8.220 0.855 18462 709 1 1 . 1 1 596 596 GLN N N 596 124.290 124.290 123.100 1.190 18462 710 1 1 . 1 1 596 596 GLN HA H 596 4.420 4.420 4.336 0.084 18462 711 1 1 . 1 1 596 596 GLN C C 596 174.630 174.630 174.948 -0.318 18462 712 1 1 . 1 1 596 596 GLN CA C 596 52.907 52.907 54.404 -1.497 18462 713 1 1 . 1 1 596 596 GLN CB C 596 30.164 30.164 28.937 1.227 18462 714 1 1 . 1 1 596 596 GLN H H 596 8.495 8.495 8.413 0.082 18462 715 1 1 . 1 1 597 597 TYR N N 597 121.829 121.829 122.119 -0.290 18462 716 1 1 . 1 1 597 597 TYR HA H 597 4.767 4.767 4.193 0.574 18462 717 1 1 . 1 1 597 597 TYR C C 597 175.453 175.453 176.989 -1.536 18462 718 1 1 . 1 1 597 597 TYR CA C 597 57.467 57.467 58.090 -0.623 18462 719 1 1 . 1 1 597 597 TYR CB C 597 38.839 38.839 38.572 0.267 18462 720 1 1 . 1 1 597 597 TYR H H 597 7.966 7.966 8.208 -0.242 18462 721 1 1 . 1 1 598 598 ALA N N 598 129.272 129.272 125.609 3.663 18462 722 1 1 . 1 1 598 598 ALA HA H 598 4.191 4.191 4.089 0.102 18462 723 1 1 . 1 1 598 598 ALA C C 598 177.425 177.425 177.843 -0.418 18462 724 1 1 . 1 1 598 598 ALA CA C 598 54.040 54.040 54.438 -0.398 18462 725 1 1 . 1 1 598 598 ALA CB C 598 17.749 17.749 18.338 -0.589 18462 726 1 1 . 1 1 598 598 ALA H H 598 9.540 9.540 8.930 0.610 18462 727 1 1 . 1 1 599 599 TYR N N 599 115.845 115.845 112.235 3.610 18462 728 1 1 . 1 1 599 599 TYR HA H 599 4.560 4.560 4.510 0.050 18462 729 1 1 . 1 1 599 599 TYR C C 599 173.276 173.276 175.713 -2.437 18462 730 1 1 . 1 1 599 599 TYR CA C 599 58.172 58.172 58.027 0.145 18462 731 1 1 . 1 1 599 599 TYR CB C 599 36.432 36.432 37.929 -1.497 18462 732 1 1 . 1 1 599 599 TYR H H 599 8.496 8.496 7.784 0.712 18462 733 1 1 . 1 1 600 600 LEU N N 600 120.764 120.764 118.663 2.101 18462 734 1 1 . 1 1 600 600 LEU HA H 600 4.260 4.260 4.238 0.022 18462 735 1 1 . 1 1 600 600 LEU C C 600 176.164 176.164 178.657 -2.493 18462 736 1 1 . 1 1 600 600 LEU CA C 600 54.303 54.303 55.140 -0.837 18462 737 1 1 . 1 1 600 600 LEU CB C 600 41.419 41.419 41.222 0.197 18462 738 1 1 . 1 1 600 600 LEU H H 600 7.299 7.299 7.433 -0.134 18462 739 1 1 . 1 1 601 601 SER N N 601 114.419 114.419 115.262 -0.843 18462 740 1 1 . 1 1 601 601 SER HA H 601 4.418 4.418 4.204 0.214 18462 741 1 1 . 1 1 601 601 SER C C 601 177.754 177.754 175.194 2.560 18462 742 1 1 . 1 1 601 601 SER CA C 601 58.054 58.054 60.957 -2.903 18462 743 1 1 . 1 1 601 601 SER CB C 601 63.212 63.212 63.585 -0.373 18462 744 1 1 . 1 1 601 601 SER H H 601 7.896 7.896 7.639 0.257 18462 745 1 1 . 1 1 602 602 ASP N N 602 122.293 122.293 118.754 3.539 18462 746 1 1 . 1 1 602 602 ASP HA H 602 4.651 4.651 4.848 -0.197 18462 747 1 1 . 1 1 602 602 ASP C C 602 174.087 174.087 174.703 -0.616 18462 748 1 1 . 1 1 602 602 ASP CA C 602 53.845 53.845 54.234 -0.389 18462 749 1 1 . 1 1 602 602 ASP CB C 602 40.481 40.481 42.390 -1.909 18462 750 1 1 . 1 1 602 602 ASP H H 602 8.257 8.257 7.814 0.443 18462 751 1 1 . 1 1 603 603 ARG N N 603 121.398 121.398 124.002 -2.604 18462 752 1 1 . 1 1 603 603 ARG HA H 603 4.454 4.454 4.801 -0.347 18462 753 1 1 . 1 1 603 603 ARG C C 603 176.111 176.111 174.841 1.270 18462 754 1 1 . 1 1 603 603 ARG CA C 603 55.241 55.241 55.886 -0.645 18462 755 1 1 . 1 1 603 603 ARG CB C 603 30.164 30.164 32.047 -1.883 18462 756 1 1 . 1 1 603 603 ARG H H 603 8.234 8.234 8.353 -0.119 18462 757 1 2 . 1 1 473 473 ASN HA H 473 4.815 4.815 5.005 -0.190 18462 758 1 2 . 1 1 473 473 ASN CA C 473 52.204 52.204 52.350 -0.146 18462 759 1 2 . 1 1 473 473 ASN CB C 473 38.371 38.371 40.430 -2.059 18462 760 1 2 . 1 1 474 474 LYS N N 474 122.150 122.150 120.628 1.522 18462 761 1 2 . 1 1 474 474 LYS HA H 474 4.375 4.375 4.266 0.109 18462 762 1 2 . 1 1 474 474 LYS C C 474 174.965 174.965 176.421 -1.456 18462 763 1 2 . 1 1 474 474 LYS CA C 474 55.944 55.944 55.809 0.135 18462 764 1 2 . 1 1 474 474 LYS CB C 474 32.405 32.405 33.228 -0.823 18462 765 1 2 . 1 1 474 474 LYS H H 474 8.586 8.586 8.307 0.279 18462 766 1 2 . 1 1 475 475 ARG N N 475 122.278 122.278 123.198 -0.920 18462 767 1 2 . 1 1 475 475 ARG HA H 475 4.374 4.374 4.088 0.286 18462 768 1 2 . 1 1 475 475 ARG C C 475 176.695 176.695 176.165 0.530 18462 769 1 2 . 1 1 475 475 ARG CA C 475 55.944 55.944 56.436 -0.492 18462 770 1 2 . 1 1 475 475 ARG CB C 475 30.164 30.164 29.490 0.674 18462 771 1 2 . 1 1 475 475 ARG H H 475 8.662 8.662 8.561 0.101 18462 772 1 2 . 1 1 476 476 MET N N 476 122.046 122.046 124.488 -2.442 18462 773 1 2 . 1 1 476 476 MET HA H 476 4.496 4.496 4.351 0.145 18462 774 1 2 . 1 1 476 476 MET C C 476 176.359 176.359 176.580 -0.221 18462 775 1 2 . 1 1 476 476 MET CA C 476 54.537 54.537 56.533 -1.996 18462 776 1 2 . 1 1 476 476 MET CB C 476 32.509 32.509 32.846 -0.337 18462 777 1 2 . 1 1 476 476 MET H H 476 8.490 8.490 8.199 0.291 18462 778 1 2 . 1 1 477 477 LYS N N 477 123.768 123.768 126.019 -2.251 18462 779 1 2 . 1 1 477 477 LYS HA H 477 4.384 4.384 4.251 0.133 18462 780 1 2 . 1 1 477 477 LYS C C 477 176.015 176.015 176.588 -0.573 18462 781 1 2 . 1 1 477 477 LYS CA C 477 55.834 55.834 55.981 -0.147 18462 782 1 2 . 1 1 477 477 LYS CB C 477 32.107 32.107 30.113 1.994 18462 783 1 2 . 1 1 477 477 LYS H H 477 8.472 8.472 8.413 0.059 18462 784 1 2 . 1 1 478 478 VAL N N 478 122.460 122.460 121.168 1.292 18462 785 1 2 . 1 1 478 478 VAL HA H 478 4.054 4.054 3.929 0.125 18462 786 1 2 . 1 1 478 478 VAL C C 478 176.320 176.320 175.360 0.960 18462 787 1 2 . 1 1 478 478 VAL CA C 478 61.337 61.337 62.450 -1.113 18462 788 1 2 . 1 1 478 478 VAL CB C 478 32.275 32.275 32.396 -0.121 18462 789 1 2 . 1 1 478 478 VAL H H 478 8.230 8.230 7.871 0.359 18462 790 1 2 . 1 1 479 479 LYS N N 479 126.119 126.119 122.464 3.655 18462 791 1 2 . 1 1 479 479 LYS HA H 479 4.365 4.365 4.451 -0.086 18462 792 1 2 . 1 1 479 479 LYS C C 479 175.605 175.605 174.865 0.740 18462 793 1 2 . 1 1 479 479 LYS CA C 479 55.006 55.006 55.144 -0.138 18462 794 1 2 . 1 1 479 479 LYS CB C 479 32.098 32.098 34.342 -2.244 18462 795 1 2 . 1 1 479 479 LYS H H 479 8.453 8.453 7.892 0.561 18462 796 1 2 . 1 1 480 480 HIS N N 480 121.065 121.065 118.378 2.687 18462 797 1 2 . 1 1 480 480 HIS HA H 480 4.713 4.713 4.768 -0.055 18462 798 1 2 . 1 1 480 480 HIS C C 480 175.937 175.937 174.205 1.732 18462 799 1 2 . 1 1 480 480 HIS CA C 480 54.537 54.537 55.267 -0.730 18462 800 1 2 . 1 1 480 480 HIS CB C 480 30.047 30.047 32.553 -2.506 18462 801 1 2 . 1 1 480 480 HIS H H 480 8.559 8.559 8.715 -0.156 18462 802 1 2 . 1 1 481 481 ASP HA H 481 4.392 4.392 4.509 -0.117 18462 803 1 2 . 1 1 481 481 ASP C C 481 174.413 174.413 175.813 -1.400 18462 804 1 2 . 1 1 481 481 ASP CA C 481 52.907 52.907 53.937 -1.030 18462 805 1 2 . 1 1 481 481 ASP CB C 481 39.543 39.543 38.658 0.885 18462 806 1 2 . 1 1 482 482 ASP N N 482 118.362 118.362 118.437 -0.075 18462 807 1 2 . 1 1 482 482 ASP HA H 482 4.710 4.710 4.540 0.170 18462 808 1 2 . 1 1 482 482 ASP C C 482 175.104 175.104 175.315 -0.211 18462 809 1 2 . 1 1 482 482 ASP CA C 482 53.376 53.376 53.798 -0.422 18462 810 1 2 . 1 1 482 482 ASP CB C 482 39.308 39.308 41.181 -1.873 18462 811 1 2 . 1 1 482 482 ASP H H 482 8.216 8.216 8.206 0.010 18462 812 1 2 . 1 1 483 483 HIS N N 483 113.578 113.578 113.907 -0.329 18462 813 1 2 . 1 1 483 483 HIS HA H 483 5.886 5.886 5.187 0.699 18462 814 1 2 . 1 1 483 483 HIS C C 483 175.274 175.274 172.707 2.567 18462 815 1 2 . 1 1 483 483 HIS CA C 483 55.241 55.241 55.479 -0.238 18462 816 1 2 . 1 1 483 483 HIS CB C 483 32.040 32.040 31.287 0.753 18462 817 1 2 . 1 1 483 483 HIS H H 483 7.692 7.692 7.254 0.438 18462 818 1 2 . 1 1 484 484 TYR N N 484 116.271 116.271 114.865 1.406 18462 819 1 2 . 1 1 484 484 TYR HA H 484 5.003 5.003 4.906 0.097 18462 820 1 2 . 1 1 484 484 TYR C C 484 180.038 180.038 173.736 6.302 18462 821 1 2 . 1 1 484 484 TYR CA C 484 55.241 55.241 55.955 -0.714 18462 822 1 2 . 1 1 484 484 TYR CB C 484 39.777 39.777 40.866 -1.089 18462 823 1 2 . 1 1 484 484 TYR H H 484 8.493 8.493 8.636 -0.143 18462 824 1 2 . 1 1 485 485 GLU N N 485 120.840 120.840 121.422 -0.582 18462 825 1 2 . 1 1 485 485 GLU HA H 485 5.301 5.301 5.041 0.260 18462 826 1 2 . 1 1 485 485 GLU C C 485 174.101 174.101 175.356 -1.255 18462 827 1 2 . 1 1 485 485 GLU CA C 485 54.772 54.772 55.378 -0.606 18462 828 1 2 . 1 1 485 485 GLU CB C 485 31.337 31.337 32.034 -0.697 18462 829 1 2 . 1 1 485 485 GLU H H 485 8.873 8.873 8.714 0.159 18462 830 1 2 . 1 1 486 486 LEU N N 486 125.807 125.807 127.159 -1.352 18462 831 1 2 . 1 1 486 486 LEU HA H 486 4.762 4.762 4.844 -0.082 18462 832 1 2 . 1 1 486 486 LEU C C 486 175.613 175.613 174.915 0.698 18462 833 1 2 . 1 1 486 486 LEU CA C 486 53.645 53.645 53.948 -0.303 18462 834 1 2 . 1 1 486 486 LEU CB C 486 45.873 45.873 44.991 0.882 18462 835 1 2 . 1 1 486 486 LEU H H 486 8.957 8.957 8.907 0.050 18462 836 1 2 . 1 1 487 487 ILE N N 487 125.332 125.332 127.877 -2.545 18462 837 1 2 . 1 1 487 487 ILE HA H 487 5.007 5.007 4.525 0.482 18462 838 1 2 . 1 1 487 487 ILE C C 487 174.543 174.543 175.335 -0.792 18462 839 1 2 . 1 1 487 487 ILE CA C 487 59.695 59.695 61.114 -1.419 18462 840 1 2 . 1 1 487 487 ILE CB C 487 37.433 37.433 38.285 -0.852 18462 841 1 2 . 1 1 487 487 ILE H H 487 8.549 8.549 8.492 0.057 18462 842 1 2 . 1 1 488 488 VAL N N 488 129.307 129.307 128.097 1.210 18462 843 1 2 . 1 1 488 488 VAL HA H 488 4.304 4.304 4.170 0.134 18462 844 1 2 . 1 1 488 488 VAL C C 488 176.678 176.678 175.469 1.209 18462 845 1 2 . 1 1 488 488 VAL CA C 488 60.868 60.868 60.525 0.343 18462 846 1 2 . 1 1 488 488 VAL CB C 488 33.681 33.681 34.320 -0.639 18462 847 1 2 . 1 1 488 488 VAL H H 488 9.456 9.456 8.580 0.876 18462 848 1 2 . 1 1 489 489 ASP N N 489 128.884 128.884 127.543 1.341 18462 849 1 2 . 1 1 489 489 ASP HA H 489 4.301 4.301 4.251 0.050 18462 850 1 2 . 1 1 489 489 ASP C C 489 176.084 176.084 177.186 -1.102 18462 851 1 2 . 1 1 489 489 ASP CA C 489 54.537 54.537 54.729 -0.192 18462 852 1 2 . 1 1 489 489 ASP CB C 489 39.074 39.074 40.542 -1.468 18462 853 1 2 . 1 1 489 489 ASP H H 489 9.144 9.144 9.099 0.045 18462 854 1 2 . 1 1 490 490 GLY N N 490 102.410 102.410 102.317 0.093 18462 855 1 2 . 1 1 490 490 GLY C C 490 175.998 175.998 173.930 2.068 18462 856 1 2 . 1 1 490 490 GLY CA C 490 44.818 44.818 45.440 -0.622 18462 857 1 2 . 1 1 490 490 GLY H H 490 8.210 8.210 8.334 -0.124 18462 858 1 2 . 1 1 491 491 ARG N N 491 122.605 122.605 120.284 2.321 18462 859 1 2 . 1 1 491 491 ARG HA H 491 4.597 4.597 4.617 -0.020 18462 860 1 2 . 1 1 491 491 ARG C C 491 173.256 173.256 175.139 -1.883 18462 861 1 2 . 1 1 491 491 ARG CA C 491 53.610 53.610 54.207 -0.597 18462 862 1 2 . 1 1 491 491 ARG CB C 491 32.040 32.040 32.136 -0.096 18462 863 1 2 . 1 1 491 491 ARG H H 491 7.938 7.938 7.812 0.126 18462 864 1 2 . 1 1 492 492 VAL N N 492 123.769 123.769 123.772 -0.003 18462 865 1 2 . 1 1 492 492 VAL HA H 492 4.128 4.128 3.765 0.363 18462 866 1 2 . 1 1 492 492 VAL C C 492 173.470 173.470 175.055 -1.585 18462 867 1 2 . 1 1 492 492 VAL CA C 492 62.210 62.210 62.666 -0.456 18462 868 1 2 . 1 1 492 492 VAL CB C 492 32.040 32.040 32.042 -0.002 18462 869 1 2 . 1 1 492 492 VAL H H 492 8.157 8.157 8.531 -0.374 18462 870 1 2 . 1 1 493 493 TYR N N 493 124.842 124.842 127.250 -2.408 18462 871 1 2 . 1 1 493 493 TYR HA H 493 4.632 4.632 4.848 -0.216 18462 872 1 2 . 1 1 493 493 TYR C C 493 174.288 174.288 175.612 -1.324 18462 873 1 2 . 1 1 493 493 TYR CA C 493 56.308 56.308 53.806 2.502 18462 874 1 2 . 1 1 493 493 TYR CB C 493 40.481 40.481 38.655 1.826 18462 875 1 2 . 1 1 493 493 TYR H H 493 8.981 8.981 8.742 0.239 18462 876 1 2 . 1 1 494 494 TYR N N 494 120.511 120.511 123.839 -3.328 18462 877 1 2 . 1 1 494 494 TYR HA H 494 4.763 4.763 4.895 -0.132 18462 878 1 2 . 1 1 494 494 TYR C C 494 173.811 173.811 175.810 -1.999 18462 879 1 2 . 1 1 494 494 TYR CA C 494 56.764 56.764 58.219 -1.455 18462 880 1 2 . 1 1 494 494 TYR CB C 494 38.722 38.722 37.853 0.869 18462 881 1 2 . 1 1 494 494 TYR H H 494 9.235 9.235 8.524 0.711 18462 882 1 2 . 1 1 495 495 ILE N N 495 124.930 124.930 122.910 2.020 18462 883 1 2 . 1 1 495 495 ILE HA H 495 4.780 4.780 4.802 -0.022 18462 884 1 2 . 1 1 495 495 ILE C C 495 174.764 174.764 175.590 -0.826 18462 885 1 2 . 1 1 495 495 ILE CA C 495 57.714 57.714 59.267 -1.553 18462 886 1 2 . 1 1 495 495 ILE CB C 495 36.729 36.729 40.515 -3.786 18462 887 1 2 . 1 1 495 495 ILE H H 495 9.136 9.136 9.129 0.007 18462 888 1 2 . 1 1 496 496 CYS N N 496 127.535 127.535 127.253 0.282 18462 889 1 2 . 1 1 496 496 CYS HA H 496 4.745 4.745 4.724 0.021 18462 890 1 2 . 1 1 496 496 CYS C C 496 176.128 176.128 176.791 -0.663 18462 891 1 2 . 1 1 496 496 CYS CA C 496 60.574 60.574 59.116 1.458 18462 892 1 2 . 1 1 496 496 CYS CB C 496 29.227 29.227 28.162 1.065 18462 893 1 2 . 1 1 496 496 CYS H H 496 9.016 9.016 8.783 0.233 18462 894 1 2 . 1 1 497 497 ILE N N 497 129.645 129.645 125.948 3.697 18462 895 1 2 . 1 1 497 497 ILE HA H 497 4.176 4.176 4.201 -0.025 18462 896 1 2 . 1 1 497 497 ILE C C 497 177.925 177.925 177.026 0.899 18462 897 1 2 . 1 1 497 497 ILE CA C 497 63.447 63.447 64.389 -0.942 18462 898 1 2 . 1 1 497 497 ILE CB C 497 39.543 39.543 37.799 1.744 18462 899 1 2 . 1 1 497 497 ILE H H 497 8.295 8.295 8.817 -0.522 18462 900 1 2 . 1 1 498 498 VAL N N 498 123.791 123.791 121.913 1.878 18462 901 1 2 . 1 1 498 498 VAL HA H 498 3.939 3.939 3.700 0.239 18462 902 1 2 . 1 1 498 498 VAL C C 498 176.127 176.127 177.355 -1.228 18462 903 1 2 . 1 1 498 498 VAL CA C 498 64.619 64.619 65.301 -0.682 18462 904 1 2 . 1 1 498 498 VAL CB C 498 32.275 32.275 31.860 0.415 18462 905 1 2 . 1 1 498 498 VAL H H 498 8.993 8.993 8.294 0.699 18462 906 1 2 . 1 1 499 499 CYS N N 499 117.267 117.267 112.074 5.193 18462 907 1 2 . 1 1 499 499 CYS HA H 499 5.157 5.157 4.860 0.297 18462 908 1 2 . 1 1 499 499 CYS C C 499 177.106 177.106 175.019 2.087 18462 909 1 2 . 1 1 499 499 CYS CA C 499 57.820 57.820 57.130 0.690 18462 910 1 2 . 1 1 499 499 CYS CB C 499 31.571 31.571 29.142 2.429 18462 911 1 2 . 1 1 499 499 CYS H H 499 8.307 8.307 8.114 0.193 18462 912 1 2 . 1 1 500 500 LYS N N 500 117.950 117.950 119.009 -1.059 18462 913 1 2 . 1 1 500 500 LYS HA H 500 4.306 4.306 4.081 0.225 18462 914 1 2 . 1 1 500 500 LYS C C 500 175.869 175.869 175.463 0.406 18462 915 1 2 . 1 1 500 500 LYS CA C 500 57.585 57.585 57.239 0.346 18462 916 1 2 . 1 1 500 500 LYS CB C 500 28.289 28.289 29.733 -1.444 18462 917 1 2 . 1 1 500 500 LYS H H 500 8.169 8.169 8.167 0.002 18462 918 1 2 . 1 1 501 501 ARG N N 501 121.270 121.270 119.641 1.629 18462 919 1 2 . 1 1 501 501 ARG HA H 501 4.090 4.090 4.201 -0.111 18462 920 1 2 . 1 1 501 501 ARG C C 501 175.587 175.587 175.819 -0.232 18462 921 1 2 . 1 1 501 501 ARG CA C 501 58.289 58.289 55.941 2.348 18462 922 1 2 . 1 1 501 501 ARG CB C 501 29.694 29.694 31.270 -1.576 18462 923 1 2 . 1 1 501 501 ARG H H 501 8.071 8.071 7.833 0.238 18462 924 1 2 . 1 1 502 502 SER N N 502 112.997 112.997 117.872 -4.875 18462 925 1 2 . 1 1 502 502 SER HA H 502 5.003 5.003 4.729 0.274 18462 926 1 2 . 1 1 502 502 SER C C 502 174.417 174.417 173.171 1.246 18462 927 1 2 . 1 1 502 502 SER CA C 502 55.475 55.475 57.332 -1.857 18462 928 1 2 . 1 1 502 502 SER CB C 502 65.088 65.088 64.537 0.551 18462 929 1 2 . 1 1 502 502 SER H H 502 7.553 7.553 8.233 -0.680 18462 930 1 2 . 1 1 503 503 TYR N N 503 121.115 121.115 120.952 0.163 18462 931 1 2 . 1 1 503 503 TYR HA H 503 4.996 4.996 4.566 0.430 18462 932 1 2 . 1 1 503 503 TYR C C 503 173.707 173.707 175.110 -1.403 18462 933 1 2 . 1 1 503 503 TYR CA C 503 57.585 57.585 58.036 -0.451 18462 934 1 2 . 1 1 503 503 TYR CB C 503 42.244 42.244 42.148 0.096 18462 935 1 2 . 1 1 503 503 TYR H H 503 8.958 8.958 8.329 0.629 18462 936 1 2 . 1 1 504 504 VAL N N 504 119.390 119.390 120.282 -0.892 18462 937 1 2 . 1 1 504 504 VAL HA H 504 4.376 4.376 4.117 0.259 18462 938 1 2 . 1 1 504 504 VAL C C 504 176.390 176.390 175.805 0.585 18462 939 1 2 . 1 1 504 504 VAL CA C 504 62.275 62.275 63.902 -1.627 18462 940 1 2 . 1 1 504 504 VAL CB C 504 33.025 33.025 32.575 0.450 18462 941 1 2 . 1 1 504 504 VAL H H 504 9.988 9.988 8.566 1.422 18462 942 1 2 . 1 1 505 505 CYS N N 505 113.800 113.800 116.164 -2.364 18462 943 1 2 . 1 1 505 505 CYS HA H 505 4.998 4.998 4.778 0.220 18462 944 1 2 . 1 1 505 505 CYS C C 505 176.603 176.603 175.191 1.412 18462 945 1 2 . 1 1 505 505 CYS CA C 505 56.647 56.647 57.541 -0.894 18462 946 1 2 . 1 1 505 505 CYS CB C 505 38.406 38.406 31.032 7.374 18462 947 1 2 . 1 1 505 505 CYS H H 505 7.518 7.518 7.851 -0.333 18462 948 1 2 . 1 1 506 506 LEU N N 506 129.535 129.535 124.466 5.069 18462 949 1 2 . 1 1 506 506 LEU HA H 506 3.325 3.325 3.557 -0.232 18462 950 1 2 . 1 1 506 506 LEU C C 506 174.727 174.727 177.775 -3.048 18462 951 1 2 . 1 1 506 506 LEU CA C 506 56.647 56.647 58.219 -1.572 18462 952 1 2 . 1 1 506 506 LEU CB C 506 39.308 39.308 41.199 -1.891 18462 953 1 2 . 1 1 506 506 LEU H H 506 8.602 8.602 8.686 -0.084 18462 954 1 2 . 1 1 507 507 THR N N 507 108.833 108.833 110.495 -1.662 18462 955 1 2 . 1 1 507 507 THR HA H 507 3.820 3.820 3.873 -0.053 18462 956 1 2 . 1 1 507 507 THR C C 507 178.905 178.905 176.590 2.315 18462 957 1 2 . 1 1 507 507 THR CA C 507 64.150 64.150 66.144 -1.994 18462 958 1 2 . 1 1 507 507 THR CB C 507 66.260 66.260 67.912 -1.653 18462 959 1 2 . 1 1 507 507 THR H H 507 8.087 8.087 8.145 -0.058 18462 960 1 2 . 1 1 508 508 SER N N 508 119.009 119.009 118.600 0.409 18462 961 1 2 . 1 1 508 508 SER HA H 508 4.123 4.123 4.016 0.107 18462 962 1 2 . 1 1 508 508 SER C C 508 178.467 178.467 175.912 2.555 18462 963 1 2 . 1 1 508 508 SER CA C 508 59.461 59.461 61.209 -1.748 18462 964 1 2 . 1 1 508 508 SER CB C 508 62.978 62.978 62.759 0.219 18462 965 1 2 . 1 1 508 508 SER H H 508 7.230 7.230 7.330 -0.100 18462 966 1 2 . 1 1 509 509 LEU N N 509 127.365 127.365 123.727 3.638 18462 967 1 2 . 1 1 509 509 LEU HA H 509 3.216 3.216 3.519 -0.303 18462 968 1 2 . 1 1 509 509 LEU C C 509 176.740 176.740 177.753 -1.013 18462 969 1 2 . 1 1 509 509 LEU CA C 509 57.351 57.351 57.946 -0.595 18462 970 1 2 . 1 1 509 509 LEU CB C 509 39.074 39.074 41.792 -2.718 18462 971 1 2 . 1 1 509 509 LEU H H 509 7.114 7.114 7.373 -0.259 18462 972 1 2 . 1 1 510 510 ARG N N 510 119.955 119.955 118.395 1.560 18462 973 1 2 . 1 1 510 510 ARG HA H 510 3.843 3.843 3.924 -0.081 18462 974 1 2 . 1 1 510 510 ARG C C 510 178.472 178.472 178.690 -0.218 18462 975 1 2 . 1 1 510 510 ARG CA C 510 61.766 61.766 58.012 3.754 18462 976 1 2 . 1 1 510 510 ARG CB C 510 28.992 28.992 28.910 0.082 18462 977 1 2 . 1 1 510 510 ARG H H 510 8.100 8.100 8.593 -0.493 18462 978 1 2 . 1 1 511 511 ARG N N 511 120.947 120.947 118.791 2.156 18462 979 1 2 . 1 1 511 511 ARG HA H 511 4.078 4.078 3.854 0.224 18462 980 1 2 . 1 1 511 511 ARG C C 511 178.262 178.262 177.780 0.482 18462 981 1 2 . 1 1 511 511 ARG CA C 511 59.054 59.054 59.317 -0.263 18462 982 1 2 . 1 1 511 511 ARG CB C 511 29.695 29.695 29.891 -0.196 18462 983 1 2 . 1 1 511 511 ARG H H 511 7.802 7.802 7.983 -0.181 18462 984 1 2 . 1 1 512 512 HIS N N 512 116.820 116.820 117.420 -0.600 18462 985 1 2 . 1 1 512 512 HIS HA H 512 4.219 4.219 4.274 -0.055 18462 986 1 2 . 1 1 512 512 HIS C C 512 178.069 178.069 177.377 0.692 18462 987 1 2 . 1 1 512 512 HIS CA C 512 57.507 57.507 58.479 -0.972 18462 988 1 2 . 1 1 512 512 HIS CB C 512 27.390 27.390 30.120 -2.730 18462 989 1 2 . 1 1 512 512 HIS H H 512 7.809 7.809 7.779 0.030 18462 990 1 2 . 1 1 513 513 PHE N N 513 118.415 118.415 121.437 -3.022 18462 991 1 2 . 1 1 513 513 PHE HA H 513 3.620 3.620 3.951 -0.331 18462 992 1 2 . 1 1 513 513 PHE C C 513 176.026 176.026 176.578 -0.552 18462 993 1 2 . 1 1 513 513 PHE CA C 513 61.102 61.102 61.460 -0.358 18462 994 1 2 . 1 1 513 513 PHE CB C 513 38.996 38.996 38.998 -0.002 18462 995 1 2 . 1 1 513 513 PHE H H 513 8.898 8.898 8.799 0.099 18462 996 1 2 . 1 1 514 514 ASN N N 514 114.080 114.080 118.615 -4.535 18462 997 1 2 . 1 1 514 514 ASN HA H 514 4.988 4.988 4.341 0.647 18462 998 1 2 . 1 1 514 514 ASN C C 514 176.236 176.236 177.232 -0.996 18462 999 1 2 . 1 1 514 514 ASN CA C 514 55.006 55.006 55.601 -0.595 18462 1000 1 2 . 1 1 514 514 ASN CB C 514 40.129 40.129 38.544 1.585 18462 1001 1 2 . 1 1 514 514 ASN H H 514 8.678 8.678 7.756 0.922 18462 1002 1 2 . 1 1 515 515 ILE N N 515 114.035 114.035 117.914 -3.879 18462 1003 1 2 . 1 1 515 515 ILE HA H 515 2.997 2.997 3.188 -0.191 18462 1004 1 2 . 1 1 515 515 ILE C C 515 176.292 176.292 175.882 0.410 18462 1005 1 2 . 1 1 515 515 ILE CA C 515 63.447 63.447 63.038 0.409 18462 1006 1 2 . 1 1 515 515 ILE CB C 515 37.198 37.198 37.473 -0.275 18462 1007 1 2 . 1 1 515 515 ILE H H 515 7.919 7.919 7.731 0.188 18462 1008 1 2 . 1 1 516 516 HIS N N 516 113.136 113.136 118.011 -4.875 18462 1009 1 2 . 1 1 516 516 HIS HA H 516 4.767 4.767 4.602 0.165 18462 1010 1 2 . 1 1 516 516 HIS C C 516 175.870 175.870 177.129 -1.259 18462 1011 1 2 . 1 1 516 516 HIS CA C 516 54.542 54.542 58.222 -3.680 18462 1012 1 2 . 1 1 516 516 HIS CB C 516 27.585 27.585 30.323 -2.739 18462 1013 1 2 . 1 1 516 516 HIS H H 516 7.170 7.170 7.604 -0.434 18462 1014 1 2 . 1 1 517 517 SER N N 517 112.852 112.852 114.070 -1.218 18462 1015 1 2 . 1 1 517 517 SER HA H 517 4.359 4.359 4.289 0.070 18462 1016 1 2 . 1 1 517 517 SER C C 517 177.067 177.067 175.387 1.680 18462 1017 1 2 . 1 1 517 517 SER CA C 517 58.758 58.758 59.454 -0.696 18462 1018 1 2 . 1 1 517 517 SER CB C 517 63.447 63.447 64.205 -0.758 18462 1019 1 2 . 1 1 517 517 SER H H 517 7.886 7.886 7.764 0.122 18462 1020 1 2 . 1 1 518 518 TRP N N 518 122.824 122.824 121.348 1.476 18462 1021 1 2 . 1 1 518 518 TRP HA H 518 4.005 4.005 4.373 -0.368 18462 1022 1 2 . 1 1 518 518 TRP C C 518 175.133 175.133 176.755 -1.622 18462 1023 1 2 . 1 1 518 518 TRP CA C 518 57.820 57.820 58.412 -0.592 18462 1024 1 2 . 1 1 518 518 TRP CB C 518 25.710 25.710 26.539 -0.829 18462 1025 1 2 . 1 1 518 518 TRP H H 518 9.274 9.274 7.781 1.493 18462 1026 1 2 . 1 1 519 519 GLU N N 519 119.673 119.673 116.846 2.827 18462 1027 1 2 . 1 1 519 519 GLU HA H 519 4.042 4.042 4.172 -0.130 18462 1028 1 2 . 1 1 519 519 GLU C C 519 175.353 175.353 176.299 -0.946 18462 1029 1 2 . 1 1 519 519 GLU CA C 519 58.758 58.758 57.842 0.916 18462 1030 1 2 . 1 1 519 519 GLU CB C 519 29.695 29.695 30.035 -0.340 18462 1031 1 2 . 1 1 519 519 GLU H H 519 7.828 7.828 7.879 -0.051 18462 1032 1 2 . 1 1 520 520 LYS N N 520 118.358 118.358 119.908 -1.550 18462 1033 1 2 . 1 1 520 520 LYS HA H 520 4.544 4.544 4.384 0.160 18462 1034 1 2 . 1 1 520 520 LYS C C 520 178.036 178.036 174.842 3.194 18462 1035 1 2 . 1 1 520 520 LYS CA C 520 53.845 53.845 54.960 -1.115 18462 1036 1 2 . 1 1 520 520 LYS CB C 520 34.385 34.385 34.324 0.061 18462 1037 1 2 . 1 1 520 520 LYS H H 520 9.085 9.085 7.954 1.131 18462 1038 1 2 . 1 1 521 521 LYS N N 521 118.859 118.859 121.765 -2.906 18462 1039 1 2 . 1 1 521 521 LYS HA H 521 4.658 4.658 4.661 -0.003 18462 1040 1 2 . 1 1 521 521 LYS C C 521 175.168 175.168 175.890 -0.722 18462 1041 1 2 . 1 1 521 521 LYS CA C 521 54.537 54.537 54.231 0.306 18462 1042 1 2 . 1 1 521 521 LYS CB C 521 35.323 35.323 33.370 1.954 18462 1043 1 2 . 1 1 521 521 LYS H H 521 8.238 8.238 8.235 0.003 18462 1044 1 2 . 1 1 522 522 TYR N N 522 117.305 117.305 121.687 -4.382 18462 1045 1 2 . 1 1 522 522 TYR HA H 522 5.028 5.028 4.900 0.128 18462 1046 1 2 . 1 1 522 522 TYR C C 522 175.016 175.016 174.207 0.809 18462 1047 1 2 . 1 1 522 522 TYR CA C 522 54.537 54.537 55.224 -0.687 18462 1048 1 2 . 1 1 522 522 TYR CB C 522 37.198 37.198 38.814 -1.616 18462 1049 1 2 . 1 1 522 522 TYR H H 522 7.788 7.788 8.522 -0.734 18462 1050 1 2 . 1 1 523 523 PRO HA H 523 5.026 5.026 5.005 0.021 18462 1051 1 2 . 1 1 523 523 PRO CA C 523 61.806 61.806 62.279 -0.473 18462 1052 1 2 . 1 1 523 523 PRO CB C 523 31.839 31.839 32.537 -0.698 18462 1053 1 2 . 1 1 524 524 CYS N N 524 126.569 126.569 122.583 3.986 18462 1054 1 2 . 1 1 524 524 CYS HA H 524 4.739 4.739 4.767 -0.028 18462 1055 1 2 . 1 1 524 524 CYS C C 524 176.841 176.841 176.151 0.690 18462 1056 1 2 . 1 1 524 524 CYS CA C 524 60.290 60.290 57.729 2.561 18462 1057 1 2 . 1 1 524 524 CYS CB C 524 29.344 29.344 29.706 -0.362 18462 1058 1 2 . 1 1 524 524 CYS H H 524 9.210 9.210 8.520 0.690 18462 1059 1 2 . 1 1 525 525 ARG N N 525 130.294 130.294 125.990 4.304 18462 1060 1 2 . 1 1 525 525 ARG HA H 525 4.285 4.285 4.076 0.209 18462 1061 1 2 . 1 1 525 525 ARG C C 525 176.390 176.390 177.054 -0.664 18462 1062 1 2 . 1 1 525 525 ARG CA C 525 58.043 58.043 58.340 -0.297 18462 1063 1 2 . 1 1 525 525 ARG CB C 525 27.576 27.576 30.330 -2.754 18462 1064 1 2 . 1 1 525 525 ARG H H 525 9.724 9.724 9.395 0.329 18462 1065 1 2 . 1 1 526 526 TYR N N 526 122.622 122.622 117.231 5.391 18462 1066 1 2 . 1 1 526 526 TYR HA H 526 4.517 4.517 4.387 0.130 18462 1067 1 2 . 1 1 526 526 TYR C C 526 176.659 176.659 175.661 0.998 18462 1068 1 2 . 1 1 526 526 TYR CA C 526 58.054 58.054 58.097 -0.043 18462 1069 1 2 . 1 1 526 526 TYR CB C 526 37.628 37.628 38.126 -0.498 18462 1070 1 2 . 1 1 526 526 TYR H H 526 10.439 10.439 7.810 2.629 18462 1071 1 2 . 1 1 527 527 CYS N N 527 122.873 122.873 116.164 6.709 18462 1072 1 2 . 1 1 527 527 CYS HA H 527 5.153 5.153 4.964 0.189 18462 1073 1 2 . 1 1 527 527 CYS C C 527 175.243 175.243 173.904 1.339 18462 1074 1 2 . 1 1 527 527 CYS CA C 527 58.148 58.148 56.137 2.011 18462 1075 1 2 . 1 1 527 527 CYS CB C 527 30.164 30.164 31.737 -1.573 18462 1076 1 2 . 1 1 527 527 CYS H H 527 8.462 8.462 7.610 0.852 18462 1077 1 2 . 1 1 528 528 GLU N N 528 115.906 115.906 118.827 -2.921 18462 1078 1 2 . 1 1 528 528 GLU HA H 528 4.453 4.453 4.189 0.264 18462 1079 1 2 . 1 1 528 528 GLU C C 528 173.484 173.484 175.998 -2.514 18462 1080 1 2 . 1 1 528 528 GLU CA C 528 57.390 57.390 56.238 1.152 18462 1081 1 2 . 1 1 528 528 GLU CB C 528 29.608 29.608 28.493 1.115 18462 1082 1 2 . 1 1 528 528 GLU H H 528 8.704 8.704 8.562 0.142 18462 1083 1 2 . 1 1 529 529 LYS N N 529 125.068 125.068 120.370 4.698 18462 1084 1 2 . 1 1 529 529 LYS HA H 529 4.041 4.041 4.297 -0.256 18462 1085 1 2 . 1 1 529 529 LYS C C 529 176.881 176.881 174.933 1.948 18462 1086 1 2 . 1 1 529 529 LYS CA C 529 57.585 57.585 55.902 1.683 18462 1087 1 2 . 1 1 529 529 LYS CB C 529 33.212 33.212 33.605 -0.393 18462 1088 1 2 . 1 1 529 529 LYS H H 529 8.696 8.696 7.398 1.298 18462 1089 1 2 . 1 1 530 530 VAL N N 530 119.525 119.525 120.814 -1.289 18462 1090 1 2 . 1 1 530 530 VAL HA H 530 4.541 4.541 4.488 0.053 18462 1091 1 2 . 1 1 530 530 VAL C C 530 175.118 175.118 175.430 -0.312 18462 1092 1 2 . 1 1 530 530 VAL CA C 530 60.633 60.633 60.600 0.033 18462 1093 1 2 . 1 1 530 530 VAL CB C 530 34.150 34.150 33.735 0.415 18462 1094 1 2 . 1 1 530 530 VAL H H 530 8.054 8.054 8.183 -0.129 18462 1095 1 2 . 1 1 531 531 PHE N N 531 122.568 122.568 126.143 -3.575 18462 1096 1 2 . 1 1 531 531 PHE C C 531 174.185 174.185 174.717 -0.532 18462 1097 1 2 . 1 1 531 531 PHE CA C 531 55.586 55.586 55.216 0.370 18462 1098 1 2 . 1 1 531 531 PHE CB C 531 41.184 41.184 40.433 0.751 18462 1099 1 2 . 1 1 531 531 PHE H H 531 8.167 8.167 8.757 -0.590 18462 1100 1 2 . 1 1 532 532 PRO HA H 532 4.359 4.359 4.058 0.301 18462 1101 1 2 . 1 1 532 532 PRO CA C 532 62.216 62.216 62.822 -0.606 18462 1102 1 2 . 1 1 532 532 PRO CB C 532 29.930 29.930 31.726 -1.796 18462 1103 1 2 . 1 1 533 533 LEU N N 533 122.335 122.335 118.038 4.297 18462 1104 1 2 . 1 1 533 533 LEU HA H 533 4.086 4.086 4.156 -0.070 18462 1105 1 2 . 1 1 533 533 LEU C C 533 175.091 175.091 176.573 -1.482 18462 1106 1 2 . 1 1 533 533 LEU CA C 533 55.006 55.006 53.216 1.790 18462 1107 1 2 . 1 1 533 533 LEU CB C 533 43.529 43.529 44.519 -0.990 18462 1108 1 2 . 1 1 533 533 LEU H H 533 6.587 6.587 7.408 -0.821 18462 1109 1 2 . 1 1 534 534 ALA N N 534 126.722 126.722 125.466 1.256 18462 1110 1 2 . 1 1 534 534 ALA HA H 534 2.993 2.993 3.417 -0.424 18462 1111 1 2 . 1 1 534 534 ALA C C 534 175.439 175.439 178.527 -3.088 18462 1112 1 2 . 1 1 534 534 ALA CA C 534 54.537 54.537 54.680 -0.143 18462 1113 1 2 . 1 1 534 534 ALA CB C 534 18.452 18.452 17.413 1.039 18462 1114 1 2 . 1 1 534 534 ALA H H 534 7.698 7.698 7.993 -0.295 18462 1115 1 2 . 1 1 535 535 GLU N N 535 119.354 119.354 118.617 0.737 18462 1116 1 2 . 1 1 535 535 GLU HA H 535 4.675 4.675 4.022 0.653 18462 1117 1 2 . 1 1 535 535 GLU C C 535 180.126 180.126 178.464 1.662 18462 1118 1 2 . 1 1 535 535 GLU CA C 535 58.526 58.526 59.106 -0.580 18462 1119 1 2 . 1 1 535 535 GLU H H 535 9.535 9.535 8.731 0.804 18462 1120 1 2 . 1 1 536 536 TYR N N 536 114.592 114.592 119.690 -5.098 18462 1121 1 2 . 1 1 536 536 TYR HA H 536 4.368 4.368 4.075 0.293 18462 1122 1 2 . 1 1 536 536 TYR C C 536 178.004 178.004 177.781 0.223 18462 1123 1 2 . 1 1 536 536 TYR CA C 536 56.179 56.179 58.698 -2.519 18462 1124 1 2 . 1 1 536 536 TYR CB C 536 35.556 35.556 36.440 -0.884 18462 1125 1 2 . 1 1 536 536 TYR H H 536 6.552 6.552 8.062 -1.510 18462 1126 1 2 . 1 1 537 537 ARG N N 537 119.820 119.820 119.405 0.415 18462 1127 1 2 . 1 1 537 537 ARG HA H 537 3.209 3.209 3.811 -0.602 18462 1128 1 2 . 1 1 537 537 ARG C C 537 179.469 179.469 178.556 0.913 18462 1129 1 2 . 1 1 537 537 ARG CA C 537 59.131 59.131 59.175 -0.044 18462 1130 1 2 . 1 1 537 537 ARG CB C 537 27.179 27.179 29.215 -2.036 18462 1131 1 2 . 1 1 537 537 ARG H H 537 7.016 7.016 7.244 -0.228 18462 1132 1 2 . 1 1 538 538 THR N N 538 120.080 120.080 116.962 3.118 18462 1133 1 2 . 1 1 538 538 THR HA H 538 3.939 3.939 3.979 -0.040 18462 1134 1 2 . 1 1 538 538 THR C C 538 177.538 177.538 176.753 0.785 18462 1135 1 2 . 1 1 538 538 THR CA C 538 66.026 66.026 67.125 -1.099 18462 1136 1 2 . 1 1 538 538 THR CB C 538 66.964 66.964 68.619 -1.655 18462 1137 1 2 . 1 1 538 538 THR H H 538 8.410 8.410 8.420 -0.010 18462 1138 1 2 . 1 1 539 539 LYS N N 539 117.252 117.252 119.071 -1.819 18462 1139 1 2 . 1 1 539 539 LYS HA H 539 4.054 4.054 4.123 -0.069 18462 1140 1 2 . 1 1 539 539 LYS C C 539 176.139 176.139 178.967 -2.828 18462 1141 1 2 . 1 1 539 539 LYS CA C 539 57.116 57.116 58.405 -1.289 18462 1142 1 2 . 1 1 539 539 LYS CB C 539 31.859 31.859 31.840 0.019 18462 1143 1 2 . 1 1 539 539 LYS H H 539 8.012 8.012 8.300 -0.288 18462 1144 1 2 . 1 1 540 540 HIS N N 540 118.983 118.983 119.892 -0.909 18462 1145 1 2 . 1 1 540 540 HIS HA H 540 4.548 4.548 4.169 0.379 18462 1146 1 2 . 1 1 540 540 HIS C C 540 179.568 179.568 177.553 2.015 18462 1147 1 2 . 1 1 540 540 HIS CA C 540 58.758 58.758 59.513 -0.755 18462 1148 1 2 . 1 1 540 540 HIS CB C 540 28.260 28.260 30.038 -1.778 18462 1149 1 2 . 1 1 540 540 HIS H H 540 7.536 7.536 8.224 -0.688 18462 1150 1 2 . 1 1 541 541 GLU N N 541 122.073 122.073 119.599 2.474 18462 1151 1 2 . 1 1 541 541 GLU HA H 541 4.215 4.215 4.441 -0.226 18462 1152 1 2 . 1 1 541 541 GLU C C 541 177.829 177.829 179.222 -1.393 18462 1153 1 2 . 1 1 541 541 GLU CA C 541 61.181 61.181 59.199 1.982 18462 1154 1 2 . 1 1 541 541 GLU CB C 541 29.712 29.712 29.780 -0.068 18462 1155 1 2 . 1 1 541 541 GLU H H 541 9.540 9.540 8.624 0.916 18462 1156 1 2 . 1 1 542 542 ILE N N 542 121.307 121.307 120.792 0.515 18462 1157 1 2 . 1 1 542 542 ILE HA H 542 4.335 4.335 3.853 0.482 18462 1158 1 2 . 1 1 542 542 ILE C C 542 179.666 179.666 177.811 1.855 18462 1159 1 2 . 1 1 542 542 ILE CA C 542 61.806 61.806 65.636 -3.830 18462 1160 1 2 . 1 1 542 542 ILE CB C 542 36.729 36.729 38.246 -1.517 18462 1161 1 2 . 1 1 542 542 ILE H H 542 8.275 8.275 8.187 0.088 18462 1162 1 2 . 1 1 543 543 HIS N N 543 118.514 118.514 117.154 1.360 18462 1163 1 2 . 1 1 543 543 HIS HA H 543 4.257 4.257 4.301 -0.044 18462 1164 1 2 . 1 1 543 543 HIS C C 543 178.283 178.283 177.466 0.817 18462 1165 1 2 . 1 1 543 543 HIS CA C 543 58.758 58.758 58.704 0.054 18462 1166 1 2 . 1 1 543 543 HIS CB C 543 26.882 26.882 29.775 -2.893 18462 1167 1 2 . 1 1 543 543 HIS H H 543 7.744 7.744 7.530 0.214 18462 1168 1 2 . 1 1 544 544 HIS N N 544 115.805 115.805 117.648 -1.843 18462 1169 1 2 . 1 1 544 544 HIS HA H 544 4.317 4.317 4.413 -0.096 18462 1170 1 2 . 1 1 544 544 HIS C C 544 178.058 178.058 177.048 1.010 18462 1171 1 2 . 1 1 544 544 HIS CA C 544 58.054 58.054 58.761 -0.707 18462 1172 1 2 . 1 1 544 544 HIS CB C 544 36.882 36.882 30.238 6.644 18462 1173 1 2 . 1 1 544 544 HIS H H 544 7.537 7.537 7.837 -0.300 18462 1174 1 2 . 1 1 545 545 THR N N 545 109.469 109.469 109.507 -0.038 18462 1175 1 2 . 1 1 545 545 THR HA H 545 4.184 4.184 4.092 0.092 18462 1176 1 2 . 1 1 545 545 THR C C 545 177.277 177.277 175.971 1.306 18462 1177 1 2 . 1 1 545 545 THR CA C 545 62.509 62.509 62.778 -0.269 18462 1178 1 2 . 1 1 545 545 THR CB C 545 68.839 68.839 69.363 -0.524 18462 1179 1 2 . 1 1 545 545 THR H H 545 7.991 7.991 7.977 0.014 18462 1180 1 2 . 1 1 546 546 GLY N N 546 113.407 113.407 110.360 3.047 18462 1181 1 2 . 1 1 546 546 GLY C C 546 177.501 177.501 174.045 3.456 18462 1182 1 2 . 1 1 546 546 GLY CA C 546 44.935 44.935 45.320 -0.385 18462 1183 1 2 . 1 1 546 546 GLY H H 546 8.530 8.530 7.998 0.532 18462 1184 1 2 . 1 1 547 547 GLU N N 547 123.901 123.901 120.504 3.397 18462 1185 1 2 . 1 1 547 547 GLU HA H 547 3.913 3.913 4.089 -0.176 18462 1186 1 2 . 1 1 547 547 GLU C C 547 173.687 173.687 176.157 -2.470 18462 1187 1 2 . 1 1 547 547 GLU CA C 547 56.413 56.413 56.866 -0.453 18462 1188 1 2 . 1 1 547 547 GLU CB C 547 29.123 29.123 30.331 -1.208 18462 1189 1 2 . 1 1 547 547 GLU H H 547 7.301 7.301 7.639 -0.338 18462 1190 1 2 . 1 1 548 548 ARG N N 548 128.505 128.505 126.637 1.868 18462 1191 1 2 . 1 1 548 548 ARG HA H 548 4.444 4.444 4.467 -0.023 18462 1192 1 2 . 1 1 548 548 ARG C C 548 175.180 175.180 176.524 -1.344 18462 1193 1 2 . 1 1 548 548 ARG CA C 548 55.059 55.059 56.927 -1.868 18462 1194 1 2 . 1 1 548 548 ARG CB C 548 29.227 29.227 30.117 -0.890 18462 1195 1 2 . 1 1 548 548 ARG H H 548 8.752 8.752 8.660 0.092 18462 1196 1 2 . 1 1 549 549 ARG N N 549 121.815 121.815 121.101 0.714 18462 1197 1 2 . 1 1 549 549 ARG HA H 549 4.205 4.205 4.673 -0.468 18462 1198 1 2 . 1 1 549 549 ARG C C 549 175.850 175.850 176.088 -0.238 18462 1199 1 2 . 1 1 549 549 ARG CA C 549 57.350 57.350 56.856 0.494 18462 1200 1 2 . 1 1 549 549 ARG CB C 549 32.980 32.980 33.706 -0.726 18462 1201 1 2 . 1 1 549 549 ARG H H 549 9.440 9.440 8.974 0.466 18462 1202 1 2 . 1 1 550 550 TYR N N 550 116.087 116.087 121.736 -5.649 18462 1203 1 2 . 1 1 550 550 TYR C C 550 176.129 176.129 175.019 1.110 18462 1204 1 2 . 1 1 550 550 TYR CA C 550 58.169 58.169 58.249 -0.080 18462 1205 1 2 . 1 1 550 550 TYR CB C 550 38.994 38.994 37.182 1.812 18462 1206 1 2 . 1 1 550 550 TYR H H 550 8.287 8.287 8.501 -0.214 18462 1207 1 2 . 1 1 551 551 GLN N N 551 125.096 125.096 124.820 0.276 18462 1208 1 2 . 1 1 551 551 GLN HA H 551 5.275 5.275 5.093 0.182 18462 1209 1 2 . 1 1 551 551 GLN C C 551 175.080 175.080 174.983 0.097 18462 1210 1 2 . 1 1 551 551 GLN CA C 551 53.610 53.610 54.521 -0.911 18462 1211 1 2 . 1 1 551 551 GLN CB C 551 31.152 31.152 31.846 -0.694 18462 1212 1 2 . 1 1 551 551 GLN H H 551 9.656 9.656 9.198 0.458 18462 1213 1 2 . 1 1 552 552 CYS N N 552 128.697 128.697 125.914 2.783 18462 1214 1 2 . 1 1 552 552 CYS HA H 552 4.584 4.584 4.833 -0.249 18462 1215 1 2 . 1 1 552 552 CYS C C 552 175.231 175.231 175.409 -0.178 18462 1216 1 2 . 1 1 552 552 CYS CA C 552 59.461 59.461 60.070 -0.609 18462 1217 1 2 . 1 1 552 552 CYS CB C 552 29.695 29.695 28.458 1.237 18462 1218 1 2 . 1 1 552 552 CYS H H 552 9.427 9.427 9.308 0.119 18462 1219 1 2 . 1 1 553 553 LEU N N 553 130.168 130.168 125.508 4.660 18462 1220 1 2 . 1 1 553 553 LEU HA H 553 4.396 4.396 4.491 -0.095 18462 1221 1 2 . 1 1 553 553 LEU C C 553 177.402 177.402 178.088 -0.686 18462 1222 1 2 . 1 1 553 553 LEU CA C 553 55.710 55.710 56.283 -0.573 18462 1223 1 2 . 1 1 553 553 LEU CB C 553 40.246 40.246 42.196 -1.950 18462 1224 1 2 . 1 1 553 553 LEU H H 553 8.632 8.632 9.071 -0.439 18462 1225 1 2 . 1 1 554 554 ALA N N 554 125.048 125.048 123.146 1.902 18462 1226 1 2 . 1 1 554 554 ALA HA H 554 4.295 4.295 4.132 0.163 18462 1227 1 2 . 1 1 554 554 ALA C C 554 177.657 177.657 178.155 -0.498 18462 1228 1 2 . 1 1 554 554 ALA CA C 554 53.610 53.610 54.291 -0.681 18462 1229 1 2 . 1 1 554 554 ALA CB C 554 16.577 16.577 18.823 -2.245 18462 1230 1 2 . 1 1 554 554 ALA H H 554 8.847 8.847 8.252 0.595 18462 1231 1 2 . 1 1 555 555 CYS N N 555 113.388 113.388 111.896 1.492 18462 1232 1 2 . 1 1 555 555 CYS HA H 555 5.299 5.299 4.977 0.322 18462 1233 1 2 . 1 1 555 555 CYS C C 555 178.854 178.854 175.822 3.032 18462 1234 1 2 . 1 1 555 555 CYS CA C 555 57.820 57.820 57.283 0.537 18462 1235 1 2 . 1 1 555 555 CYS CB C 555 31.665 31.665 29.175 2.490 18462 1236 1 2 . 1 1 555 555 CYS H H 555 8.146 8.146 7.926 0.220 18462 1237 1 2 . 1 1 556 556 GLY N N 556 114.264 114.264 109.542 4.722 18462 1238 1 2 . 1 1 556 556 GLY C C 556 176.084 176.084 174.965 1.119 18462 1239 1 2 . 1 1 556 556 GLY CA C 556 45.639 45.639 45.714 -0.075 18462 1240 1 2 . 1 1 556 556 GLY H H 556 8.104 8.104 8.553 -0.449 18462 1241 1 2 . 1 1 557 557 LYS N N 557 123.318 123.318 120.622 2.696 18462 1242 1 2 . 1 1 557 557 LYS HA H 557 4.110 4.110 4.105 0.005 18462 1243 1 2 . 1 1 557 557 LYS C C 557 174.300 174.300 175.707 -1.407 18462 1244 1 2 . 1 1 557 557 LYS CA C 557 57.585 57.585 56.875 0.710 18462 1245 1 2 . 1 1 557 557 LYS CB C 557 33.447 33.447 33.191 0.257 18462 1246 1 2 . 1 1 557 557 LYS H H 557 8.043 8.043 7.362 0.681 18462 1247 1 2 . 1 1 558 558 SER N N 558 115.947 115.947 116.795 -0.848 18462 1248 1 2 . 1 1 558 558 SER HA H 558 5.661 5.661 5.015 0.646 18462 1249 1 2 . 1 1 558 558 SER C C 558 174.321 174.321 173.296 1.025 18462 1250 1 2 . 1 1 558 558 SER CA C 558 56.179 56.179 56.994 -0.815 18462 1251 1 2 . 1 1 558 558 SER CB C 558 65.088 65.088 65.424 -0.336 18462 1252 1 2 . 1 1 558 558 SER H H 558 7.864 7.864 8.138 -0.274 18462 1253 1 2 . 1 1 559 559 PHE N N 559 117.815 117.815 120.392 -2.577 18462 1254 1 2 . 1 1 559 559 PHE HA H 559 4.781 4.781 4.773 0.008 18462 1255 1 2 . 1 1 559 559 PHE C C 559 173.632 173.632 175.758 -2.126 18462 1256 1 2 . 1 1 559 559 PHE CA C 559 56.687 56.687 57.021 -0.334 18462 1257 1 2 . 1 1 559 559 PHE CB C 559 44.232 44.232 42.101 2.131 18462 1258 1 2 . 1 1 559 559 PHE H H 559 9.488 9.488 8.891 0.597 18462 1259 1 2 . 1 1 560 560 ILE N N 560 118.092 118.092 119.709 -1.617 18462 1260 1 2 . 1 1 560 560 ILE HA H 560 4.470 4.470 4.264 0.206 18462 1261 1 2 . 1 1 560 560 ILE C C 560 175.986 175.986 174.623 1.363 18462 1262 1 2 . 1 1 560 560 ILE CA C 560 62.040 62.040 63.020 -0.980 18462 1263 1 2 . 1 1 560 560 ILE CB C 560 39.308 39.308 38.473 0.835 18462 1264 1 2 . 1 1 560 560 ILE H H 560 9.306 9.306 8.561 0.745 18462 1265 1 2 . 1 1 561 561 ASN N N 561 114.751 114.751 112.377 2.374 18462 1266 1 2 . 1 1 561 561 ASN HA H 561 4.683 4.683 4.518 0.165 18462 1267 1 2 . 1 1 561 561 ASN C C 561 175.350 175.350 174.022 1.328 18462 1268 1 2 . 1 1 561 561 ASN CA C 561 50.797 50.797 51.418 -0.621 18462 1269 1 2 . 1 1 561 561 ASN CB C 561 39.777 39.777 39.683 0.094 18462 1270 1 2 . 1 1 561 561 ASN H H 561 7.387 7.387 7.490 -0.103 18462 1271 1 2 . 1 1 562 562 TYR N N 562 118.833 118.833 120.095 -1.262 18462 1272 1 2 . 1 1 562 562 TYR C C 562 172.730 172.730 176.988 -4.258 18462 1273 1 2 . 1 1 562 562 TYR CA C 562 59.907 59.907 62.219 -2.312 18462 1274 1 2 . 1 1 562 562 TYR CB C 562 38.480 38.480 38.191 0.289 18462 1275 1 2 . 1 1 562 562 TYR H H 562 8.243 8.243 8.104 0.139 18462 1276 1 2 . 1 1 563 563 GLN N N 563 119.525 119.525 117.533 1.992 18462 1277 1 2 . 1 1 563 563 GLN HA H 563 3.720 3.720 3.902 -0.182 18462 1278 1 2 . 1 1 563 563 GLN C C 563 176.326 176.326 178.015 -1.689 18462 1279 1 2 . 1 1 563 563 GLN CA C 563 61.102 61.102 59.640 1.462 18462 1280 1 2 . 1 1 563 563 GLN CB C 563 25.450 25.450 27.634 -2.184 18462 1281 1 2 . 1 1 563 563 GLN H H 563 8.524 8.524 8.418 0.106 18462 1282 1 2 . 1 1 564 564 PHE N N 564 118.625 118.625 120.057 -1.432 18462 1283 1 2 . 1 1 564 564 PHE HA H 564 4.427 4.427 4.167 0.260 18462 1284 1 2 . 1 1 564 564 PHE C C 564 179.429 179.429 177.579 1.850 18462 1285 1 2 . 1 1 564 564 PHE CA C 564 59.461 59.461 61.016 -1.555 18462 1286 1 2 . 1 1 564 564 PHE CB C 564 38.488 38.488 38.754 -0.266 18462 1287 1 2 . 1 1 564 564 PHE H H 564 8.904 8.904 8.875 0.029 18462 1288 1 2 . 1 1 565 565 MET N N 565 120.996 120.996 120.220 0.776 18462 1289 1 2 . 1 1 565 565 MET HA H 565 3.720 3.720 3.049 0.671 18462 1290 1 2 . 1 1 565 565 MET C C 565 178.642 178.642 177.650 0.992 18462 1291 1 2 . 1 1 565 565 MET CA C 565 58.037 58.037 57.674 0.363 18462 1292 1 2 . 1 1 565 565 MET H H 565 7.153 7.153 7.765 -0.612 18462 1293 1 2 . 1 1 566 566 SER N N 566 115.706 115.706 115.118 0.588 18462 1294 1 2 . 1 1 566 566 SER HA H 566 3.720 3.720 3.737 -0.017 18462 1295 1 2 . 1 1 566 566 SER C C 566 176.710 176.710 176.381 0.329 18462 1296 1 2 . 1 1 566 566 SER CA C 566 60.633 60.633 61.462 -0.829 18462 1297 1 2 . 1 1 566 566 SER CB C 566 62.040 62.040 62.651 -0.611 18462 1298 1 2 . 1 1 566 566 SER H H 566 8.918 8.918 8.212 0.706 18462 1299 1 2 . 1 1 567 567 SER N N 567 114.335 114.335 117.265 -2.930 18462 1300 1 2 . 1 1 567 567 SER HA H 567 4.212 4.212 3.978 0.234 18462 1301 1 2 . 1 1 567 567 SER C C 567 176.849 176.849 176.212 0.637 18462 1302 1 2 . 1 1 567 567 SER CA C 567 60.868 60.868 61.455 -0.587 18462 1303 1 2 . 1 1 567 567 SER CB C 567 61.806 61.806 63.116 -1.310 18462 1304 1 2 . 1 1 567 567 SER H H 567 7.933 7.933 7.847 0.086 18462 1305 1 2 . 1 1 568 568 HIS N N 568 120.659 120.659 121.694 -1.035 18462 1306 1 2 . 1 1 568 568 HIS HA H 568 4.327 4.327 4.248 0.079 18462 1307 1 2 . 1 1 568 568 HIS C C 568 177.652 177.652 177.288 0.364 18462 1308 1 2 . 1 1 568 568 HIS CA C 568 58.992 58.992 59.346 -0.354 18462 1309 1 2 . 1 1 568 568 HIS CB C 568 27.234 27.234 29.275 -2.041 18462 1310 1 2 . 1 1 568 568 HIS H H 568 7.594 7.594 8.122 -0.528 18462 1311 1 2 . 1 1 569 569 ILE N N 569 120.858 120.858 119.762 1.096 18462 1312 1 2 . 1 1 569 569 ILE HA H 569 3.562 3.562 3.441 0.121 18462 1313 1 2 . 1 1 569 569 ILE C C 569 175.925 175.925 178.395 -2.470 18462 1314 1 2 . 1 1 569 569 ILE CA C 569 66.729 66.729 65.070 1.659 18462 1315 1 2 . 1 1 569 569 ILE CB C 569 37.198 37.198 37.681 -0.483 18462 1316 1 2 . 1 1 569 569 ILE H H 569 8.640 8.640 8.223 0.417 18462 1317 1 2 . 1 1 570 570 LYS N N 570 118.876 118.876 120.410 -1.534 18462 1318 1 2 . 1 1 570 570 LYS HA H 570 4.329 4.329 4.162 0.167 18462 1319 1 2 . 1 1 570 570 LYS C C 570 178.927 178.927 179.297 -0.370 18462 1320 1 2 . 1 1 570 570 LYS CA C 570 59.461 59.461 59.614 -0.153 18462 1321 1 2 . 1 1 570 570 LYS CB C 570 32.743 32.743 32.427 0.316 18462 1322 1 2 . 1 1 570 570 LYS H H 570 8.463 8.463 8.316 0.147 18462 1323 1 2 . 1 1 571 571 SER N N 571 112.612 112.612 114.856 -2.244 18462 1324 1 2 . 1 1 571 571 SER HA H 571 4.323 4.323 4.209 0.114 18462 1325 1 2 . 1 1 571 571 SER C C 571 179.258 179.258 176.079 3.179 18462 1326 1 2 . 1 1 571 571 SER CA C 571 59.930 59.930 61.553 -1.623 18462 1327 1 2 . 1 1 571 571 SER CB C 571 62.978 62.978 63.295 -0.317 18462 1328 1 2 . 1 1 571 571 SER H H 571 7.997 7.997 7.960 0.037 18462 1329 1 2 . 1 1 572 572 VAL N N 572 120.208 120.208 119.709 0.499 18462 1330 1 2 . 1 1 572 572 VAL HA H 572 3.789 3.789 3.771 0.018 18462 1331 1 2 . 1 1 572 572 VAL C C 572 176.245 176.245 177.030 -0.785 18462 1332 1 2 . 1 1 572 572 VAL CA C 572 63.916 63.916 64.489 -0.573 18462 1333 1 2 . 1 1 572 572 VAL CB C 572 31.337 31.337 31.816 -0.479 18462 1334 1 2 . 1 1 572 572 VAL H H 572 8.615 8.615 8.068 0.547 18462 1335 1 2 . 1 1 573 573 HIS N N 573 113.735 113.735 115.902 -2.167 18462 1336 1 2 . 1 1 573 573 HIS HA H 573 5.102 5.102 4.765 0.337 18462 1337 1 2 . 1 1 573 573 HIS C C 573 177.042 177.042 175.187 1.855 18462 1338 1 2 . 1 1 573 573 HIS CA C 573 53.376 53.376 55.514 -2.138 18462 1339 1 2 . 1 1 573 573 HIS CB C 573 28.210 28.210 30.494 -2.284 18462 1340 1 2 . 1 1 573 573 HIS H H 573 7.067 7.067 7.386 -0.319 18462 1341 1 2 . 1 1 574 574 SER N N 574 112.537 112.537 113.497 -0.960 18462 1342 1 2 . 1 1 574 574 SER HA H 574 4.421 4.421 4.274 0.147 18462 1343 1 2 . 1 1 574 574 SER C C 574 174.525 174.525 173.732 0.793 18462 1344 1 2 . 1 1 574 574 SER CA C 574 58.054 58.054 59.326 -1.272 18462 1345 1 2 . 1 1 574 574 SER CB C 574 61.102 61.102 61.508 -0.406 18462 1346 1 2 . 1 1 574 574 SER H H 574 7.325 7.325 8.021 -0.696 18462 1347 1 2 . 1 1 575 575 GLN N N 575 117.032 117.032 117.386 -0.354 18462 1348 1 2 . 1 1 575 575 GLN HA H 575 4.659 4.659 4.550 0.109 18462 1349 1 2 . 1 1 575 575 GLN C C 575 173.993 173.993 173.473 0.520 18462 1350 1 2 . 1 1 575 575 GLN CA C 575 53.376 53.376 54.026 -0.650 18462 1351 1 2 . 1 1 575 575 GLN CB C 575 32.743 32.743 33.488 -0.745 18462 1352 1 2 . 1 1 575 575 GLN H H 575 7.480 7.480 7.278 0.202 18462 1353 1 2 . 1 1 576 576 ASP N N 576 118.953 118.953 121.289 -2.336 18462 1354 1 2 . 1 1 576 576 ASP HA H 576 4.992 4.992 5.019 -0.027 18462 1355 1 2 . 1 1 576 576 ASP C C 576 173.387 173.387 176.253 -2.866 18462 1356 1 2 . 1 1 576 576 ASP CA C 576 50.094 50.094 50.024 0.070 18462 1357 1 2 . 1 1 576 576 ASP CB C 576 41.301 41.301 41.914 -0.614 18462 1358 1 2 . 1 1 576 576 ASP H H 576 8.173 8.173 8.656 -0.483 18462 1359 1 2 . 1 1 577 577 PRO HA H 577 4.629 4.629 4.365 0.264 18462 1360 1 2 . 1 1 577 577 PRO CA C 577 63.212 63.212 64.834 -1.622 18462 1361 1 2 . 1 1 577 577 PRO CB C 577 31.806 31.806 32.026 -0.220 18462 1362 1 2 . 1 1 578 578 SER N N 578 114.986 114.986 111.538 3.448 18462 1363 1 2 . 1 1 578 578 SER HA H 578 4.820 4.820 4.515 0.305 18462 1364 1 2 . 1 1 578 578 SER C C 578 176.301 176.301 175.716 0.585 18462 1365 1 2 . 1 1 578 578 SER CA C 578 58.054 58.054 58.483 -0.429 18462 1366 1 2 . 1 1 578 578 SER CB C 578 63.447 63.447 63.360 0.087 18462 1367 1 2 . 1 1 578 578 SER H H 578 8.387 8.387 8.393 -0.006 18462 1368 1 2 . 1 1 579 579 GLY N N 579 111.279 111.279 109.861 1.418 18462 1369 1 2 . 1 1 579 579 GLY C C 579 175.262 175.262 173.852 1.410 18462 1370 1 2 . 1 1 579 579 GLY CA C 579 44.935 44.935 44.617 0.318 18462 1371 1 2 . 1 1 579 579 GLY H H 579 8.554 8.554 7.774 0.780 18462 1372 1 2 . 1 1 580 580 ASP N N 580 121.402 121.402 120.060 1.342 18462 1373 1 2 . 1 1 580 580 ASP HA H 580 4.700 4.700 4.827 -0.127 18462 1374 1 2 . 1 1 580 580 ASP C C 580 174.329 174.329 176.168 -1.839 18462 1375 1 2 . 1 1 580 580 ASP CA C 580 53.845 53.845 54.453 -0.608 18462 1376 1 2 . 1 1 580 580 ASP CB C 580 40.012 40.012 41.004 -0.992 18462 1377 1 2 . 1 1 580 580 ASP H H 580 8.386 8.386 8.524 -0.138 18462 1378 1 2 . 1 1 581 581 SER N N 581 115.668 115.668 116.155 -0.487 18462 1379 1 2 . 1 1 581 581 SER HA H 581 4.421 4.421 4.436 -0.015 18462 1380 1 2 . 1 1 581 581 SER C C 581 176.108 176.108 174.013 2.095 18462 1381 1 2 . 1 1 581 581 SER CA C 581 58.054 58.054 58.776 -0.722 18462 1382 1 2 . 1 1 581 581 SER CB C 581 63.212 63.212 64.255 -1.043 18462 1383 1 2 . 1 1 581 581 SER H H 581 8.015 8.015 8.221 -0.206 18462 1384 1 2 . 1 1 582 582 LYS N N 582 120.544 120.544 119.824 0.720 18462 1385 1 2 . 1 1 582 582 LYS HA H 582 4.329 4.329 4.032 0.297 18462 1386 1 2 . 1 1 582 582 LYS C C 582 174.302 174.302 175.523 -1.221 18462 1387 1 2 . 1 1 582 582 LYS CA C 582 55.944 55.944 56.775 -0.831 18462 1388 1 2 . 1 1 582 582 LYS CB C 582 30.868 30.868 30.523 0.345 18462 1389 1 2 . 1 1 582 582 LYS H H 582 8.453 8.453 8.369 0.084 18462 1390 1 2 . 1 1 583 583 LEU N N 583 119.514 119.514 118.684 0.830 18462 1391 1 2 . 1 1 583 583 LEU HA H 583 4.458 4.458 4.486 -0.028 18462 1392 1 2 . 1 1 583 583 LEU C C 583 176.924 176.924 175.362 1.562 18462 1393 1 2 . 1 1 583 583 LEU CA C 583 54.303 54.303 54.559 -0.256 18462 1394 1 2 . 1 1 583 583 LEU CB C 583 43.060 43.060 42.287 0.773 18462 1395 1 2 . 1 1 583 583 LEU H H 583 8.391 8.391 8.412 -0.021 18462 1396 1 2 . 1 1 584 584 TYR N N 584 115.291 115.291 115.041 0.250 18462 1397 1 2 . 1 1 584 584 TYR HA H 584 5.714 5.714 5.548 0.166 18462 1398 1 2 . 1 1 584 584 TYR C C 584 175.675 175.675 173.656 2.019 18462 1399 1 2 . 1 1 584 584 TYR CA C 584 54.303 54.303 55.310 -1.007 18462 1400 1 2 . 1 1 584 584 TYR CB C 584 42.420 42.420 41.959 0.461 18462 1401 1 2 . 1 1 584 584 TYR H H 584 7.625 7.625 7.239 0.386 18462 1402 1 2 . 1 1 585 585 ARG N N 585 120.321 120.321 121.084 -0.763 18462 1403 1 2 . 1 1 585 585 ARG HA H 585 4.407 4.407 4.587 -0.180 18462 1404 1 2 . 1 1 585 585 ARG C C 585 172.342 172.342 173.813 -1.471 18462 1405 1 2 . 1 1 585 585 ARG CA C 585 53.376 53.376 54.609 -1.233 18462 1406 1 2 . 1 1 585 585 ARG CB C 585 33.916 33.916 34.733 -0.818 18462 1407 1 2 . 1 1 585 585 ARG H H 585 9.141 9.141 8.994 0.147 18462 1408 1 2 . 1 1 586 586 LEU N N 586 129.013 129.013 127.480 1.533 18462 1409 1 2 . 1 1 586 586 LEU HA H 586 4.768 4.768 4.720 0.048 18462 1410 1 2 . 1 1 586 586 LEU C C 586 173.449 173.449 175.273 -1.824 18462 1411 1 2 . 1 1 586 586 LEU CA C 586 52.438 52.438 53.463 -1.025 18462 1412 1 2 . 1 1 586 586 LEU CB C 586 41.653 41.653 43.264 -1.611 18462 1413 1 2 . 1 1 586 586 LEU H H 586 8.581 8.581 8.629 -0.048 18462 1414 1 2 . 1 1 587 587 HIS N N 587 127.447 127.447 126.254 1.193 18462 1415 1 2 . 1 1 587 587 HIS HA H 587 4.650 4.650 5.011 -0.361 18462 1416 1 2 . 1 1 587 587 HIS C C 587 175.512 175.512 173.533 1.979 18462 1417 1 2 . 1 1 587 587 HIS CA C 587 55.544 55.544 54.594 0.950 18462 1418 1 2 . 1 1 587 587 HIS CB C 587 29.930 29.930 30.721 -0.791 18462 1419 1 2 . 1 1 587 587 HIS H H 587 9.132 9.132 8.921 0.211 18462 1420 1 2 . 1 1 588 588 PRO HA H 588 4.441 4.441 4.676 -0.235 18462 1421 1 2 . 1 1 588 588 PRO CA C 588 62.509 62.509 63.117 -0.608 18462 1422 1 2 . 1 1 588 588 PRO CB C 588 31.688 31.688 32.578 -0.890 18462 1423 1 2 . 1 1 589 589 CYS N N 589 124.057 124.057 121.053 3.004 18462 1424 1 2 . 1 1 589 589 CYS HA H 589 4.275 4.275 4.424 -0.149 18462 1425 1 2 . 1 1 589 589 CYS C C 589 174.401 174.401 175.182 -0.781 18462 1426 1 2 . 1 1 589 589 CYS CA C 589 58.289 58.289 57.752 0.537 18462 1427 1 2 . 1 1 589 589 CYS CB C 589 26.413 26.413 29.232 -2.819 18462 1428 1 2 . 1 1 589 589 CYS H H 589 9.475 9.475 8.779 0.696 18462 1429 1 2 . 1 1 590 590 ARG N N 590 130.942 130.942 126.980 3.962 18462 1430 1 2 . 1 1 590 590 ARG HA H 590 4.689 4.689 4.595 0.094 18462 1431 1 2 . 1 1 590 590 ARG C C 590 175.091 175.091 176.986 -1.895 18462 1432 1 2 . 1 1 590 590 ARG CA C 590 55.241 55.241 56.443 -1.202 18462 1433 1 2 . 1 1 590 590 ARG CB C 590 30.633 30.633 30.890 -0.257 18462 1434 1 2 . 1 1 590 590 ARG H H 590 7.227 7.227 9.209 -1.982 18462 1435 1 2 . 1 1 591 591 SER N N 591 117.243 117.243 115.921 1.322 18462 1436 1 2 . 1 1 591 591 SER HA H 591 4.342 4.342 4.347 -0.005 18462 1437 1 2 . 1 1 591 591 SER C C 591 178.367 178.367 173.812 4.555 18462 1438 1 2 . 1 1 591 591 SER CA C 591 59.695 59.695 61.760 -2.065 18462 1439 1 2 . 1 1 591 591 SER CB C 591 61.923 61.923 63.782 -1.859 18462 1440 1 2 . 1 1 591 591 SER H H 591 9.571 9.571 8.838 0.733 18462 1441 1 2 . 1 1 592 592 LEU N N 592 121.308 121.308 114.738 6.570 18462 1442 1 2 . 1 1 592 592 LEU HA H 592 4.778 4.778 4.727 0.051 18462 1443 1 2 . 1 1 592 592 LEU C C 592 173.260 173.260 175.582 -2.322 18462 1444 1 2 . 1 1 592 592 LEU CA C 592 52.846 52.846 53.315 -0.469 18462 1445 1 2 . 1 1 592 592 LEU CB C 592 45.404 45.404 43.339 2.065 18462 1446 1 2 . 1 1 592 592 LEU H H 592 7.369 7.369 7.308 0.061 18462 1447 1 2 . 1 1 593 593 GLN N N 593 122.109 122.109 120.374 1.735 18462 1448 1 2 . 1 1 593 593 GLN HA H 593 4.564 4.564 4.620 -0.056 18462 1449 1 2 . 1 1 593 593 GLN C C 593 175.827 175.827 175.316 0.511 18462 1450 1 2 . 1 1 593 593 GLN CA C 593 54.303 54.303 56.007 -1.704 18462 1451 1 2 . 1 1 593 593 GLN CB C 593 26.882 26.882 28.399 -1.517 18462 1452 1 2 . 1 1 593 593 GLN H H 593 8.599 8.599 8.750 -0.151 18462 1453 1 2 . 1 1 594 594 ILE N N 594 118.085 118.085 118.594 -0.509 18462 1454 1 2 . 1 1 594 594 ILE HA H 594 4.755 4.755 4.573 0.182 18462 1455 1 2 . 1 1 594 594 ILE C C 594 175.093 175.093 174.355 0.738 18462 1456 1 2 . 1 1 594 594 ILE CA C 594 58.831 58.831 59.836 -1.005 18462 1457 1 2 . 1 1 594 594 ILE CB C 594 42.591 42.591 40.592 1.999 18462 1458 1 2 . 1 1 594 594 ILE H H 594 7.635 7.635 8.154 -0.519 18462 1459 1 2 . 1 1 595 595 ARG N N 595 123.800 123.800 122.639 1.161 18462 1460 1 2 . 1 1 595 595 ARG HA H 595 4.038 4.038 4.289 -0.251 18462 1461 1 2 . 1 1 595 595 ARG C C 595 175.440 175.440 175.000 0.440 18462 1462 1 2 . 1 1 595 595 ARG CA C 595 56.386 56.386 56.284 0.102 18462 1463 1 2 . 1 1 595 595 ARG CB C 595 30.516 30.516 30.581 -0.065 18462 1464 1 2 . 1 1 595 595 ARG H H 595 9.075 9.075 8.347 0.728 18462 1465 1 2 . 1 1 596 596 GLN N N 596 124.290 124.290 120.766 3.524 18462 1466 1 2 . 1 1 596 596 GLN HA H 596 4.420 4.420 4.230 0.190 18462 1467 1 2 . 1 1 596 596 GLN C C 596 174.630 174.630 174.624 0.006 18462 1468 1 2 . 1 1 596 596 GLN CA C 596 52.907 52.907 54.433 -1.526 18462 1469 1 2 . 1 1 596 596 GLN CB C 596 30.164 30.164 31.404 -1.240 18462 1470 1 2 . 1 1 596 596 GLN H H 596 8.495 8.495 8.249 0.245 18462 1471 1 2 . 1 1 597 597 TYR N N 597 121.829 121.829 117.893 3.936 18462 1472 1 2 . 1 1 597 597 TYR HA H 597 4.767 4.767 4.545 0.222 18462 1473 1 2 . 1 1 597 597 TYR C C 597 175.453 175.453 176.365 -0.912 18462 1474 1 2 . 1 1 597 597 TYR CA C 597 57.467 57.467 56.678 0.789 18462 1475 1 2 . 1 1 597 597 TYR CB C 597 38.839 38.839 39.388 -0.549 18462 1476 1 2 . 1 1 597 597 TYR H H 597 7.966 7.966 8.281 -0.315 18462 1477 1 2 . 1 1 598 598 ALA N N 598 129.272 129.272 124.676 4.596 18462 1478 1 2 . 1 1 598 598 ALA HA H 598 4.191 4.191 4.083 0.108 18462 1479 1 2 . 1 1 598 598 ALA C C 598 177.425 177.425 177.022 0.403 18462 1480 1 2 . 1 1 598 598 ALA CA C 598 54.040 54.040 53.984 0.056 18462 1481 1 2 . 1 1 598 598 ALA CB C 598 17.749 17.749 18.122 -0.373 18462 1482 1 2 . 1 1 598 598 ALA H H 598 9.540 9.540 8.663 0.877 18462 1483 1 2 . 1 1 599 599 TYR N N 599 115.845 115.845 112.109 3.736 18462 1484 1 2 . 1 1 599 599 TYR HA H 599 4.560 4.560 4.472 0.088 18462 1485 1 2 . 1 1 599 599 TYR C C 599 173.276 173.276 176.128 -2.852 18462 1486 1 2 . 1 1 599 599 TYR CA C 599 58.172 58.172 58.889 -0.716 18462 1487 1 2 . 1 1 599 599 TYR CB C 599 36.432 36.432 37.832 -1.400 18462 1488 1 2 . 1 1 599 599 TYR H H 599 8.496 8.496 7.696 0.800 18462 1489 1 2 . 1 1 600 600 LEU N N 600 120.764 120.764 119.575 1.189 18462 1490 1 2 . 1 1 600 600 LEU HA H 600 4.260 4.260 4.496 -0.236 18462 1491 1 2 . 1 1 600 600 LEU C C 600 176.164 176.164 178.275 -2.111 18462 1492 1 2 . 1 1 600 600 LEU CA C 600 54.303 54.303 54.895 -0.592 18462 1493 1 2 . 1 1 600 600 LEU CB C 600 41.419 41.419 41.499 -0.080 18462 1494 1 2 . 1 1 600 600 LEU H H 600 7.299 7.299 7.507 -0.208 18462 1495 1 2 . 1 1 601 601 SER N N 601 114.419 114.419 113.034 1.385 18462 1496 1 2 . 1 1 601 601 SER HA H 601 4.418 4.418 4.322 0.096 18462 1497 1 2 . 1 1 601 601 SER C C 601 177.754 177.754 174.048 3.706 18462 1498 1 2 . 1 1 601 601 SER CA C 601 58.054 58.054 58.860 -0.806 18462 1499 1 2 . 1 1 601 601 SER CB C 601 63.212 63.212 63.354 -0.142 18462 1500 1 2 . 1 1 601 601 SER H H 601 7.896 7.896 7.366 0.530 18462 1501 1 2 . 1 1 602 602 ASP N N 602 122.293 122.293 121.760 0.533 18462 1502 1 2 . 1 1 602 602 ASP HA H 602 4.651 4.651 4.520 0.131 18462 1503 1 2 . 1 1 602 602 ASP C C 602 174.087 174.087 176.467 -2.380 18462 1504 1 2 . 1 1 602 602 ASP CA C 602 53.845 53.845 55.149 -1.304 18462 1505 1 2 . 1 1 602 602 ASP CB C 602 40.481 40.481 41.728 -1.247 18462 1506 1 2 . 1 1 602 602 ASP H H 602 8.257 8.257 7.571 0.686 18462 1507 1 2 . 1 1 603 603 ARG N N 603 121.398 121.398 125.453 -4.055 18462 1508 1 2 . 1 1 603 603 ARG HA H 603 4.454 4.454 4.325 0.129 18462 1509 1 2 . 1 1 603 603 ARG C C 603 176.111 176.111 177.478 -1.367 18462 1510 1 2 . 1 1 603 603 ARG CA C 603 55.241 55.241 56.359 -1.118 18462 1511 1 2 . 1 1 603 603 ARG CB C 603 30.164 30.164 30.814 -0.651 18462 1512 1 2 . 1 1 603 603 ARG H H 603 8.234 8.234 8.486 -0.252 18462 1513 1 3 . 1 1 473 473 ASN HA H 473 4.815 4.815 5.000 -0.185 18462 1514 1 3 . 1 1 473 473 ASN CA C 473 52.204 52.204 53.545 -1.341 18462 1515 1 3 . 1 1 473 473 ASN CB C 473 38.371 38.371 39.357 -0.986 18462 1516 1 3 . 1 1 474 474 LYS N N 474 122.150 122.150 121.216 0.934 18462 1517 1 3 . 1 1 474 474 LYS HA H 474 4.375 4.375 4.788 -0.413 18462 1518 1 3 . 1 1 474 474 LYS C C 474 174.965 174.965 175.669 -0.704 18462 1519 1 3 . 1 1 474 474 LYS CA C 474 55.944 55.944 55.548 0.396 18462 1520 1 3 . 1 1 474 474 LYS CB C 474 32.405 32.405 35.620 -3.215 18462 1521 1 3 . 1 1 474 474 LYS H H 474 8.586 8.586 8.727 -0.141 18462 1522 1 3 . 1 1 475 475 ARG N N 475 122.278 122.278 122.483 -0.205 18462 1523 1 3 . 1 1 475 475 ARG HA H 475 4.374 4.374 4.956 -0.582 18462 1524 1 3 . 1 1 475 475 ARG C C 475 176.695 176.695 174.614 2.081 18462 1525 1 3 . 1 1 475 475 ARG CA C 475 55.944 55.944 55.189 0.755 18462 1526 1 3 . 1 1 475 475 ARG CB C 475 30.164 30.164 32.630 -2.466 18462 1527 1 3 . 1 1 475 475 ARG H H 475 8.662 8.662 8.835 -0.173 18462 1528 1 3 . 1 1 476 476 MET N N 476 122.046 122.046 120.646 1.400 18462 1529 1 3 . 1 1 476 476 MET HA H 476 4.496 4.496 4.595 -0.099 18462 1530 1 3 . 1 1 476 476 MET C C 476 176.359 176.359 174.456 1.903 18462 1531 1 3 . 1 1 476 476 MET CA C 476 54.537 54.537 54.766 -0.229 18462 1532 1 3 . 1 1 476 476 MET CB C 476 32.509 32.509 35.269 -2.760 18462 1533 1 3 . 1 1 476 476 MET H H 476 8.490 8.490 8.412 0.078 18462 1534 1 3 . 1 1 477 477 LYS N N 477 123.768 123.768 123.361 0.407 18462 1535 1 3 . 1 1 477 477 LYS HA H 477 4.384 4.384 4.703 -0.319 18462 1536 1 3 . 1 1 477 477 LYS C C 477 176.015 176.015 174.939 1.076 18462 1537 1 3 . 1 1 477 477 LYS CA C 477 55.834 55.834 56.031 -0.196 18462 1538 1 3 . 1 1 477 477 LYS CB C 477 32.107 32.107 32.239 -0.132 18462 1539 1 3 . 1 1 477 477 LYS H H 477 8.472 8.472 8.295 0.177 18462 1540 1 3 . 1 1 478 478 VAL N N 478 122.460 122.460 119.588 2.872 18462 1541 1 3 . 1 1 478 478 VAL HA H 478 4.054 4.054 4.431 -0.377 18462 1542 1 3 . 1 1 478 478 VAL C C 478 176.320 176.320 174.587 1.733 18462 1543 1 3 . 1 1 478 478 VAL CA C 478 61.337 61.337 60.420 0.917 18462 1544 1 3 . 1 1 478 478 VAL CB C 478 32.275 32.275 34.558 -2.283 18462 1545 1 3 . 1 1 478 478 VAL H H 478 8.230 8.230 7.895 0.335 18462 1546 1 3 . 1 1 479 479 LYS N N 479 126.119 126.119 120.832 5.287 18462 1547 1 3 . 1 1 479 479 LYS HA H 479 4.365 4.365 4.516 -0.151 18462 1548 1 3 . 1 1 479 479 LYS C C 479 175.605 175.605 175.272 0.333 18462 1549 1 3 . 1 1 479 479 LYS CA C 479 55.006 55.006 55.223 -0.217 18462 1550 1 3 . 1 1 479 479 LYS CB C 479 32.098 32.098 33.442 -1.344 18462 1551 1 3 . 1 1 479 479 LYS H H 479 8.453 8.453 8.194 0.259 18462 1552 1 3 . 1 1 480 480 HIS N N 480 121.065 121.065 118.864 2.201 18462 1553 1 3 . 1 1 480 480 HIS HA H 480 4.713 4.713 4.773 -0.060 18462 1554 1 3 . 1 1 480 480 HIS C C 480 175.937 175.937 174.287 1.650 18462 1555 1 3 . 1 1 480 480 HIS CA C 480 54.537 54.537 55.090 -0.554 18462 1556 1 3 . 1 1 480 480 HIS CB C 480 30.047 30.047 31.977 -1.930 18462 1557 1 3 . 1 1 480 480 HIS H H 480 8.559 8.559 8.591 -0.032 18462 1558 1 3 . 1 1 481 481 ASP HA H 481 4.392 4.392 4.571 -0.179 18462 1559 1 3 . 1 1 481 481 ASP C C 481 174.413 174.413 175.913 -1.500 18462 1560 1 3 . 1 1 481 481 ASP CA C 481 52.907 52.907 54.685 -1.778 18462 1561 1 3 . 1 1 481 481 ASP CB C 481 39.543 39.543 40.719 -1.176 18462 1562 1 3 . 1 1 482 482 ASP N N 482 118.362 118.362 117.858 0.504 18462 1563 1 3 . 1 1 482 482 ASP HA H 482 4.710 4.710 4.460 0.250 18462 1564 1 3 . 1 1 482 482 ASP C C 482 175.104 175.104 175.144 -0.040 18462 1565 1 3 . 1 1 482 482 ASP CA C 482 53.376 53.376 53.827 -0.451 18462 1566 1 3 . 1 1 482 482 ASP CB C 482 39.308 39.308 39.368 -0.060 18462 1567 1 3 . 1 1 482 482 ASP H H 482 8.216 8.216 8.385 -0.169 18462 1568 1 3 . 1 1 483 483 HIS N N 483 113.578 113.578 112.844 0.734 18462 1569 1 3 . 1 1 483 483 HIS HA H 483 5.886 5.886 5.401 0.485 18462 1570 1 3 . 1 1 483 483 HIS C C 483 175.274 175.274 172.861 2.413 18462 1571 1 3 . 1 1 483 483 HIS CA C 483 55.241 55.241 55.206 0.035 18462 1572 1 3 . 1 1 483 483 HIS CB C 483 32.040 32.040 31.632 0.408 18462 1573 1 3 . 1 1 483 483 HIS H H 483 7.692 7.692 7.111 0.581 18462 1574 1 3 . 1 1 484 484 TYR N N 484 116.271 116.271 114.593 1.678 18462 1575 1 3 . 1 1 484 484 TYR HA H 484 5.003 5.003 4.937 0.066 18462 1576 1 3 . 1 1 484 484 TYR C C 484 180.038 180.038 173.936 6.102 18462 1577 1 3 . 1 1 484 484 TYR CA C 484 55.241 55.241 55.849 -0.608 18462 1578 1 3 . 1 1 484 484 TYR CB C 484 39.777 39.777 40.723 -0.946 18462 1579 1 3 . 1 1 484 484 TYR H H 484 8.493 8.493 8.822 -0.329 18462 1580 1 3 . 1 1 485 485 GLU N N 485 120.840 120.840 121.320 -0.480 18462 1581 1 3 . 1 1 485 485 GLU HA H 485 5.301 5.301 4.821 0.480 18462 1582 1 3 . 1 1 485 485 GLU C C 485 174.101 174.101 175.455 -1.354 18462 1583 1 3 . 1 1 485 485 GLU CA C 485 54.772 54.772 55.742 -0.970 18462 1584 1 3 . 1 1 485 485 GLU CB C 485 31.337 31.337 31.025 0.312 18462 1585 1 3 . 1 1 485 485 GLU H H 485 8.873 8.873 8.773 0.100 18462 1586 1 3 . 1 1 486 486 LEU N N 486 125.807 125.807 127.949 -2.142 18462 1587 1 3 . 1 1 486 486 LEU HA H 486 4.762 4.762 4.836 -0.074 18462 1588 1 3 . 1 1 486 486 LEU C C 486 175.613 175.613 174.888 0.725 18462 1589 1 3 . 1 1 486 486 LEU CA C 486 53.645 53.645 53.896 -0.251 18462 1590 1 3 . 1 1 486 486 LEU CB C 486 45.873 45.873 44.563 1.310 18462 1591 1 3 . 1 1 486 486 LEU H H 486 8.957 8.957 8.889 0.068 18462 1592 1 3 . 1 1 487 487 ILE N N 487 125.332 125.332 128.050 -2.718 18462 1593 1 3 . 1 1 487 487 ILE HA H 487 5.007 5.007 4.449 0.558 18462 1594 1 3 . 1 1 487 487 ILE C C 487 174.543 174.543 175.600 -1.057 18462 1595 1 3 . 1 1 487 487 ILE CA C 487 59.695 59.695 61.345 -1.650 18462 1596 1 3 . 1 1 487 487 ILE CB C 487 37.433 37.433 38.237 -0.805 18462 1597 1 3 . 1 1 487 487 ILE H H 487 8.549 8.549 8.573 -0.024 18462 1598 1 3 . 1 1 488 488 VAL N N 488 129.307 129.307 128.332 0.975 18462 1599 1 3 . 1 1 488 488 VAL HA H 488 4.304 4.304 4.130 0.174 18462 1600 1 3 . 1 1 488 488 VAL C C 488 176.678 176.678 175.052 1.626 18462 1601 1 3 . 1 1 488 488 VAL CA C 488 60.868 60.868 60.823 0.045 18462 1602 1 3 . 1 1 488 488 VAL CB C 488 33.681 33.681 34.417 -0.736 18462 1603 1 3 . 1 1 488 488 VAL H H 488 9.456 9.456 8.615 0.841 18462 1604 1 3 . 1 1 489 489 ASP N N 489 128.884 128.884 128.010 0.874 18462 1605 1 3 . 1 1 489 489 ASP HA H 489 4.301 4.301 4.278 0.023 18462 1606 1 3 . 1 1 489 489 ASP C C 489 176.084 176.084 176.649 -0.565 18462 1607 1 3 . 1 1 489 489 ASP CA C 489 54.537 54.537 54.751 -0.214 18462 1608 1 3 . 1 1 489 489 ASP CB C 489 39.074 39.074 39.981 -0.907 18462 1609 1 3 . 1 1 489 489 ASP H H 489 9.144 9.144 9.071 0.073 18462 1610 1 3 . 1 1 490 490 GLY N N 490 102.410 102.410 104.800 -2.390 18462 1611 1 3 . 1 1 490 490 GLY C C 490 175.998 175.998 174.263 1.735 18462 1612 1 3 . 1 1 490 490 GLY CA C 490 44.818 44.818 45.158 -0.340 18462 1613 1 3 . 1 1 490 490 GLY H H 490 8.210 8.210 8.197 0.013 18462 1614 1 3 . 1 1 491 491 ARG N N 491 122.605 122.605 121.849 0.756 18462 1615 1 3 . 1 1 491 491 ARG HA H 491 4.597 4.597 4.488 0.109 18462 1616 1 3 . 1 1 491 491 ARG C C 491 173.256 173.256 175.326 -2.070 18462 1617 1 3 . 1 1 491 491 ARG CA C 491 53.610 53.610 55.044 -1.434 18462 1618 1 3 . 1 1 491 491 ARG CB C 491 32.040 32.040 31.313 0.727 18462 1619 1 3 . 1 1 491 491 ARG H H 491 7.938 7.938 7.683 0.255 18462 1620 1 3 . 1 1 492 492 VAL N N 492 123.769 123.769 123.730 0.039 18462 1621 1 3 . 1 1 492 492 VAL HA H 492 4.128 4.128 3.822 0.306 18462 1622 1 3 . 1 1 492 492 VAL C C 492 173.470 173.470 175.151 -1.681 18462 1623 1 3 . 1 1 492 492 VAL CA C 492 62.210 62.210 62.470 -0.260 18462 1624 1 3 . 1 1 492 492 VAL CB C 492 32.040 32.040 31.519 0.521 18462 1625 1 3 . 1 1 492 492 VAL H H 492 8.157 8.157 8.471 -0.314 18462 1626 1 3 . 1 1 493 493 TYR N N 493 124.842 124.842 127.319 -2.477 18462 1627 1 3 . 1 1 493 493 TYR HA H 493 4.632 4.632 4.721 -0.089 18462 1628 1 3 . 1 1 493 493 TYR C C 493 174.288 174.288 175.512 -1.224 18462 1629 1 3 . 1 1 493 493 TYR CA C 493 56.308 56.308 54.069 2.239 18462 1630 1 3 . 1 1 493 493 TYR CB C 493 40.481 40.481 38.801 1.679 18462 1631 1 3 . 1 1 493 493 TYR H H 493 8.981 8.981 8.791 0.190 18462 1632 1 3 . 1 1 494 494 TYR N N 494 120.511 120.511 123.708 -3.197 18462 1633 1 3 . 1 1 494 494 TYR HA H 494 4.763 4.763 4.958 -0.195 18462 1634 1 3 . 1 1 494 494 TYR C C 494 173.811 173.811 175.859 -2.048 18462 1635 1 3 . 1 1 494 494 TYR CA C 494 56.764 56.764 57.970 -1.206 18462 1636 1 3 . 1 1 494 494 TYR CB C 494 38.722 38.722 37.672 1.050 18462 1637 1 3 . 1 1 494 494 TYR H H 494 9.235 9.235 8.472 0.763 18462 1638 1 3 . 1 1 495 495 ILE N N 495 124.930 124.930 123.480 1.450 18462 1639 1 3 . 1 1 495 495 ILE HA H 495 4.780 4.780 4.784 -0.004 18462 1640 1 3 . 1 1 495 495 ILE C C 495 174.764 174.764 175.633 -0.869 18462 1641 1 3 . 1 1 495 495 ILE CA C 495 57.714 57.714 59.330 -1.616 18462 1642 1 3 . 1 1 495 495 ILE CB C 495 36.729 36.729 40.236 -3.507 18462 1643 1 3 . 1 1 495 495 ILE H H 495 9.136 9.136 9.181 -0.045 18462 1644 1 3 . 1 1 496 496 CYS N N 496 127.535 127.535 127.722 -0.187 18462 1645 1 3 . 1 1 496 496 CYS HA H 496 4.745 4.745 4.923 -0.178 18462 1646 1 3 . 1 1 496 496 CYS C C 496 176.128 176.128 176.991 -0.863 18462 1647 1 3 . 1 1 496 496 CYS CA C 496 60.574 60.574 58.895 1.679 18462 1648 1 3 . 1 1 496 496 CYS CB C 496 29.227 29.227 28.078 1.149 18462 1649 1 3 . 1 1 496 496 CYS H H 496 9.016 9.016 8.651 0.365 18462 1650 1 3 . 1 1 497 497 ILE N N 497 129.645 129.645 126.488 3.157 18462 1651 1 3 . 1 1 497 497 ILE HA H 497 4.176 4.176 4.198 -0.022 18462 1652 1 3 . 1 1 497 497 ILE C C 497 177.925 177.925 176.775 1.150 18462 1653 1 3 . 1 1 497 497 ILE CA C 497 63.447 63.447 64.614 -1.167 18462 1654 1 3 . 1 1 497 497 ILE CB C 497 39.543 39.543 37.793 1.750 18462 1655 1 3 . 1 1 497 497 ILE H H 497 8.295 8.295 8.382 -0.087 18462 1656 1 3 . 1 1 498 498 VAL N N 498 123.791 123.791 122.054 1.737 18462 1657 1 3 . 1 1 498 498 VAL HA H 498 3.939 3.939 3.749 0.190 18462 1658 1 3 . 1 1 498 498 VAL C C 498 176.127 176.127 177.401 -1.274 18462 1659 1 3 . 1 1 498 498 VAL CA C 498 64.619 64.619 65.655 -1.036 18462 1660 1 3 . 1 1 498 498 VAL CB C 498 32.275 32.275 31.557 0.718 18462 1661 1 3 . 1 1 498 498 VAL H H 498 8.993 8.993 8.221 0.772 18462 1662 1 3 . 1 1 499 499 CYS N N 499 117.267 117.267 112.144 5.123 18462 1663 1 3 . 1 1 499 499 CYS HA H 499 5.157 5.157 4.860 0.297 18462 1664 1 3 . 1 1 499 499 CYS C C 499 177.106 177.106 174.912 2.194 18462 1665 1 3 . 1 1 499 499 CYS CA C 499 57.820 57.820 57.653 0.167 18462 1666 1 3 . 1 1 499 499 CYS CB C 499 31.571 31.571 29.178 2.393 18462 1667 1 3 . 1 1 499 499 CYS H H 499 8.307 8.307 7.958 0.349 18462 1668 1 3 . 1 1 500 500 LYS N N 500 117.950 117.950 118.871 -0.921 18462 1669 1 3 . 1 1 500 500 LYS HA H 500 4.306 4.306 4.069 0.237 18462 1670 1 3 . 1 1 500 500 LYS C C 500 175.869 175.869 175.448 0.421 18462 1671 1 3 . 1 1 500 500 LYS CA C 500 57.585 57.585 57.257 0.328 18462 1672 1 3 . 1 1 500 500 LYS CB C 500 28.289 28.289 29.708 -1.419 18462 1673 1 3 . 1 1 500 500 LYS H H 500 8.169 8.169 8.184 -0.015 18462 1674 1 3 . 1 1 501 501 ARG N N 501 121.270 121.270 119.680 1.590 18462 1675 1 3 . 1 1 501 501 ARG HA H 501 4.090 4.090 4.191 -0.101 18462 1676 1 3 . 1 1 501 501 ARG C C 501 175.587 175.587 175.714 -0.127 18462 1677 1 3 . 1 1 501 501 ARG CA C 501 58.289 58.289 55.881 2.408 18462 1678 1 3 . 1 1 501 501 ARG CB C 501 29.694 29.694 31.183 -1.490 18462 1679 1 3 . 1 1 501 501 ARG H H 501 8.071 8.071 7.761 0.310 18462 1680 1 3 . 1 1 502 502 SER N N 502 112.997 112.997 117.736 -4.739 18462 1681 1 3 . 1 1 502 502 SER HA H 502 5.003 5.003 4.709 0.294 18462 1682 1 3 . 1 1 502 502 SER C C 502 174.417 174.417 173.222 1.195 18462 1683 1 3 . 1 1 502 502 SER CA C 502 55.475 55.475 57.268 -1.793 18462 1684 1 3 . 1 1 502 502 SER CB C 502 65.088 65.088 64.400 0.688 18462 1685 1 3 . 1 1 502 502 SER H H 502 7.553 7.553 8.238 -0.685 18462 1686 1 3 . 1 1 503 503 TYR N N 503 121.115 121.115 122.028 -0.913 18462 1687 1 3 . 1 1 503 503 TYR HA H 503 4.996 4.996 4.596 0.400 18462 1688 1 3 . 1 1 503 503 TYR C C 503 173.707 173.707 175.092 -1.385 18462 1689 1 3 . 1 1 503 503 TYR CA C 503 57.585 57.585 57.935 -0.350 18462 1690 1 3 . 1 1 503 503 TYR CB C 503 42.244 42.244 41.862 0.382 18462 1691 1 3 . 1 1 503 503 TYR H H 503 8.958 8.958 8.566 0.392 18462 1692 1 3 . 1 1 504 504 VAL N N 504 119.390 119.390 120.113 -0.723 18462 1693 1 3 . 1 1 504 504 VAL HA H 504 4.376 4.376 4.085 0.291 18462 1694 1 3 . 1 1 504 504 VAL C C 504 176.390 176.390 176.091 0.299 18462 1695 1 3 . 1 1 504 504 VAL CA C 504 62.275 62.275 63.568 -1.293 18462 1696 1 3 . 1 1 504 504 VAL CB C 504 33.025 33.025 32.627 0.398 18462 1697 1 3 . 1 1 504 504 VAL H H 504 9.988 9.988 8.568 1.420 18462 1698 1 3 . 1 1 505 505 CYS N N 505 113.800 113.800 116.720 -2.920 18462 1699 1 3 . 1 1 505 505 CYS HA H 505 4.998 4.998 4.737 0.261 18462 1700 1 3 . 1 1 505 505 CYS C C 505 176.603 176.603 175.137 1.466 18462 1701 1 3 . 1 1 505 505 CYS CA C 505 56.647 56.647 57.586 -0.939 18462 1702 1 3 . 1 1 505 505 CYS CB C 505 38.406 38.406 31.311 7.095 18462 1703 1 3 . 1 1 505 505 CYS H H 505 7.518 7.518 7.826 -0.308 18462 1704 1 3 . 1 1 506 506 LEU N N 506 129.535 129.535 124.550 4.985 18462 1705 1 3 . 1 1 506 506 LEU HA H 506 3.325 3.325 3.607 -0.282 18462 1706 1 3 . 1 1 506 506 LEU C C 506 174.727 174.727 177.805 -3.078 18462 1707 1 3 . 1 1 506 506 LEU CA C 506 56.647 56.647 57.945 -1.298 18462 1708 1 3 . 1 1 506 506 LEU CB C 506 39.308 39.308 41.263 -1.955 18462 1709 1 3 . 1 1 506 506 LEU H H 506 8.602 8.602 8.789 -0.187 18462 1710 1 3 . 1 1 507 507 THR N N 507 108.833 108.833 110.786 -1.953 18462 1711 1 3 . 1 1 507 507 THR HA H 507 3.820 3.820 3.857 -0.037 18462 1712 1 3 . 1 1 507 507 THR C C 507 178.905 178.905 176.771 2.134 18462 1713 1 3 . 1 1 507 507 THR CA C 507 64.150 64.150 66.207 -2.058 18462 1714 1 3 . 1 1 507 507 THR CB C 507 66.260 66.260 67.845 -1.585 18462 1715 1 3 . 1 1 507 507 THR H H 507 8.087 8.087 8.129 -0.042 18462 1716 1 3 . 1 1 508 508 SER N N 508 119.009 119.009 118.333 0.676 18462 1717 1 3 . 1 1 508 508 SER HA H 508 4.123 4.123 4.089 0.034 18462 1718 1 3 . 1 1 508 508 SER C C 508 178.467 178.467 175.904 2.563 18462 1719 1 3 . 1 1 508 508 SER CA C 508 59.461 59.461 61.138 -1.677 18462 1720 1 3 . 1 1 508 508 SER CB C 508 62.978 62.978 62.841 0.137 18462 1721 1 3 . 1 1 508 508 SER H H 508 7.230 7.230 7.514 -0.284 18462 1722 1 3 . 1 1 509 509 LEU N N 509 127.365 127.365 123.811 3.554 18462 1723 1 3 . 1 1 509 509 LEU HA H 509 3.216 3.216 3.484 -0.268 18462 1724 1 3 . 1 1 509 509 LEU C C 509 176.740 176.740 177.555 -0.815 18462 1725 1 3 . 1 1 509 509 LEU CA C 509 57.351 57.351 57.909 -0.558 18462 1726 1 3 . 1 1 509 509 LEU CB C 509 39.074 39.074 41.674 -2.600 18462 1727 1 3 . 1 1 509 509 LEU H H 509 7.114 7.114 7.174 -0.060 18462 1728 1 3 . 1 1 510 510 ARG N N 510 119.955 119.955 118.292 1.663 18462 1729 1 3 . 1 1 510 510 ARG HA H 510 3.843 3.843 3.909 -0.066 18462 1730 1 3 . 1 1 510 510 ARG C C 510 178.472 178.472 178.971 -0.499 18462 1731 1 3 . 1 1 510 510 ARG CA C 510 61.766 61.766 57.986 3.780 18462 1732 1 3 . 1 1 510 510 ARG CB C 510 28.992 28.992 28.851 0.141 18462 1733 1 3 . 1 1 510 510 ARG H H 510 8.100 8.100 8.313 -0.213 18462 1734 1 3 . 1 1 511 511 ARG N N 511 120.947 120.947 118.478 2.469 18462 1735 1 3 . 1 1 511 511 ARG HA H 511 4.078 4.078 3.929 0.149 18462 1736 1 3 . 1 1 511 511 ARG C C 511 178.262 178.262 178.436 -0.174 18462 1737 1 3 . 1 1 511 511 ARG CA C 511 59.054 59.054 58.951 0.103 18462 1738 1 3 . 1 1 511 511 ARG CB C 511 29.695 29.695 29.989 -0.294 18462 1739 1 3 . 1 1 511 511 ARG H H 511 7.802 7.802 7.700 0.102 18462 1740 1 3 . 1 1 512 512 HIS N N 512 116.820 116.820 118.761 -1.941 18462 1741 1 3 . 1 1 512 512 HIS HA H 512 4.219 4.219 4.241 -0.022 18462 1742 1 3 . 1 1 512 512 HIS C C 512 178.069 178.069 177.098 0.971 18462 1743 1 3 . 1 1 512 512 HIS CA C 512 57.507 57.507 58.764 -1.258 18462 1744 1 3 . 1 1 512 512 HIS CB C 512 27.390 27.390 29.916 -2.526 18462 1745 1 3 . 1 1 512 512 HIS H H 512 7.809 7.809 7.979 -0.170 18462 1746 1 3 . 1 1 513 513 PHE N N 513 118.415 118.415 120.651 -2.236 18462 1747 1 3 . 1 1 513 513 PHE HA H 513 3.620 3.620 3.942 -0.322 18462 1748 1 3 . 1 1 513 513 PHE C C 513 176.026 176.026 176.594 -0.568 18462 1749 1 3 . 1 1 513 513 PHE CA C 513 61.102 61.102 61.497 -0.395 18462 1750 1 3 . 1 1 513 513 PHE CB C 513 38.996 38.996 38.958 0.038 18462 1751 1 3 . 1 1 513 513 PHE H H 513 8.898 8.898 8.833 0.065 18462 1752 1 3 . 1 1 514 514 ASN N N 514 114.080 114.080 119.040 -4.960 18462 1753 1 3 . 1 1 514 514 ASN HA H 514 4.988 4.988 4.310 0.678 18462 1754 1 3 . 1 1 514 514 ASN C C 514 176.236 176.236 177.266 -1.030 18462 1755 1 3 . 1 1 514 514 ASN CA C 514 55.006 55.006 55.696 -0.690 18462 1756 1 3 . 1 1 514 514 ASN CB C 514 40.129 40.129 38.510 1.619 18462 1757 1 3 . 1 1 514 514 ASN H H 514 8.678 8.678 7.660 1.018 18462 1758 1 3 . 1 1 515 515 ILE N N 515 114.035 114.035 117.995 -3.960 18462 1759 1 3 . 1 1 515 515 ILE HA H 515 2.997 2.997 3.300 -0.303 18462 1760 1 3 . 1 1 515 515 ILE C C 515 176.292 176.292 176.218 0.074 18462 1761 1 3 . 1 1 515 515 ILE CA C 515 63.447 63.447 63.639 -0.192 18462 1762 1 3 . 1 1 515 515 ILE CB C 515 37.198 37.198 37.465 -0.267 18462 1763 1 3 . 1 1 515 515 ILE H H 515 7.919 7.919 7.832 0.087 18462 1764 1 3 . 1 1 516 516 HIS N N 516 113.136 113.136 117.696 -4.560 18462 1765 1 3 . 1 1 516 516 HIS HA H 516 4.767 4.767 4.619 0.148 18462 1766 1 3 . 1 1 516 516 HIS C C 516 175.870 175.870 177.171 -1.301 18462 1767 1 3 . 1 1 516 516 HIS CA C 516 54.542 54.542 58.178 -3.635 18462 1768 1 3 . 1 1 516 516 HIS CB C 516 27.585 27.585 30.124 -2.539 18462 1769 1 3 . 1 1 516 516 HIS H H 516 7.170 7.170 7.602 -0.432 18462 1770 1 3 . 1 1 517 517 SER N N 517 112.852 112.852 114.185 -1.333 18462 1771 1 3 . 1 1 517 517 SER HA H 517 4.359 4.359 4.363 -0.004 18462 1772 1 3 . 1 1 517 517 SER C C 517 177.067 177.067 175.481 1.586 18462 1773 1 3 . 1 1 517 517 SER CA C 517 58.758 58.758 59.517 -0.758 18462 1774 1 3 . 1 1 517 517 SER CB C 517 63.447 63.447 64.340 -0.893 18462 1775 1 3 . 1 1 517 517 SER H H 517 7.886 7.886 7.749 0.137 18462 1776 1 3 . 1 1 518 518 TRP N N 518 122.824 122.824 120.084 2.740 18462 1777 1 3 . 1 1 518 518 TRP HA H 518 4.005 4.005 4.429 -0.424 18462 1778 1 3 . 1 1 518 518 TRP C C 518 175.133 175.133 176.389 -1.256 18462 1779 1 3 . 1 1 518 518 TRP CA C 518 57.820 57.820 58.843 -1.023 18462 1780 1 3 . 1 1 518 518 TRP CB C 518 25.710 25.710 26.581 -0.871 18462 1781 1 3 . 1 1 518 518 TRP H H 518 9.274 9.274 7.787 1.487 18462 1782 1 3 . 1 1 519 519 GLU N N 519 119.673 119.673 114.834 4.839 18462 1783 1 3 . 1 1 519 519 GLU HA H 519 4.042 4.042 4.141 -0.099 18462 1784 1 3 . 1 1 519 519 GLU C C 519 175.353 175.353 176.616 -1.263 18462 1785 1 3 . 1 1 519 519 GLU CA C 519 58.758 58.758 57.929 0.829 18462 1786 1 3 . 1 1 519 519 GLU CB C 519 29.695 29.695 30.127 -0.432 18462 1787 1 3 . 1 1 519 519 GLU H H 519 7.828 7.828 7.922 -0.094 18462 1788 1 3 . 1 1 520 520 LYS N N 520 118.358 118.358 119.510 -1.152 18462 1789 1 3 . 1 1 520 520 LYS HA H 520 4.544 4.544 4.396 0.148 18462 1790 1 3 . 1 1 520 520 LYS C C 520 178.036 178.036 174.800 3.236 18462 1791 1 3 . 1 1 520 520 LYS CA C 520 53.845 53.845 54.872 -1.027 18462 1792 1 3 . 1 1 520 520 LYS CB C 520 34.385 34.385 34.057 0.327 18462 1793 1 3 . 1 1 520 520 LYS H H 520 9.085 9.085 7.988 1.097 18462 1794 1 3 . 1 1 521 521 LYS N N 521 118.859 118.859 122.891 -4.032 18462 1795 1 3 . 1 1 521 521 LYS HA H 521 4.658 4.658 4.276 0.382 18462 1796 1 3 . 1 1 521 521 LYS C C 521 175.168 175.168 175.816 -0.648 18462 1797 1 3 . 1 1 521 521 LYS CA C 521 54.537 54.537 55.638 -1.101 18462 1798 1 3 . 1 1 521 521 LYS CB C 521 35.323 35.323 33.963 1.360 18462 1799 1 3 . 1 1 521 521 LYS H H 521 8.238 8.238 8.199 0.039 18462 1800 1 3 . 1 1 522 522 TYR N N 522 117.305 117.305 121.049 -3.744 18462 1801 1 3 . 1 1 522 522 TYR HA H 522 5.028 5.028 4.860 0.168 18462 1802 1 3 . 1 1 522 522 TYR C C 522 175.016 175.016 173.599 1.417 18462 1803 1 3 . 1 1 522 522 TYR CA C 522 54.537 54.537 54.988 -0.451 18462 1804 1 3 . 1 1 522 522 TYR CB C 522 37.198 37.198 38.143 -0.945 18462 1805 1 3 . 1 1 522 522 TYR H H 522 7.788 7.788 8.418 -0.630 18462 1806 1 3 . 1 1 523 523 PRO HA H 523 5.026 5.026 4.908 0.118 18462 1807 1 3 . 1 1 523 523 PRO CA C 523 61.806 61.806 62.094 -0.288 18462 1808 1 3 . 1 1 523 523 PRO CB C 523 31.839 31.839 32.685 -0.847 18462 1809 1 3 . 1 1 524 524 CYS N N 524 126.569 126.569 121.362 5.207 18462 1810 1 3 . 1 1 524 524 CYS HA H 524 4.739 4.739 4.674 0.065 18462 1811 1 3 . 1 1 524 524 CYS C C 524 176.841 176.841 176.494 0.347 18462 1812 1 3 . 1 1 524 524 CYS CA C 524 60.290 60.290 57.289 3.001 18462 1813 1 3 . 1 1 524 524 CYS CB C 524 29.344 29.344 30.221 -0.877 18462 1814 1 3 . 1 1 524 524 CYS H H 524 9.210 9.210 8.396 0.814 18462 1815 1 3 . 1 1 525 525 ARG N N 525 130.294 130.294 120.729 9.565 18462 1816 1 3 . 1 1 525 525 ARG HA H 525 4.285 4.285 4.240 0.045 18462 1817 1 3 . 1 1 525 525 ARG C C 525 176.390 176.390 176.851 -0.461 18462 1818 1 3 . 1 1 525 525 ARG CA C 525 58.043 58.043 57.404 0.639 18462 1819 1 3 . 1 1 525 525 ARG CB C 525 27.576 27.576 29.823 -2.247 18462 1820 1 3 . 1 1 525 525 ARG H H 525 9.724 9.724 8.561 1.163 18462 1821 1 3 . 1 1 526 526 TYR N N 526 122.622 122.622 119.405 3.217 18462 1822 1 3 . 1 1 526 526 TYR HA H 526 4.517 4.517 4.281 0.236 18462 1823 1 3 . 1 1 526 526 TYR C C 526 176.659 176.659 175.773 0.886 18462 1824 1 3 . 1 1 526 526 TYR CA C 526 58.054 58.054 58.468 -0.414 18462 1825 1 3 . 1 1 526 526 TYR CB C 526 37.628 37.628 37.844 -0.217 18462 1826 1 3 . 1 1 526 526 TYR H H 526 10.439 10.439 8.197 2.242 18462 1827 1 3 . 1 1 527 527 CYS N N 527 122.873 122.873 114.509 8.364 18462 1828 1 3 . 1 1 527 527 CYS HA H 527 5.153 5.153 4.892 0.261 18462 1829 1 3 . 1 1 527 527 CYS C C 527 175.243 175.243 173.971 1.272 18462 1830 1 3 . 1 1 527 527 CYS CA C 527 58.148 58.148 55.973 2.175 18462 1831 1 3 . 1 1 527 527 CYS CB C 527 30.164 30.164 31.605 -1.442 18462 1832 1 3 . 1 1 527 527 CYS H H 527 8.462 8.462 7.415 1.047 18462 1833 1 3 . 1 1 528 528 GLU N N 528 115.906 115.906 118.092 -2.186 18462 1834 1 3 . 1 1 528 528 GLU HA H 528 4.453 4.453 4.240 0.213 18462 1835 1 3 . 1 1 528 528 GLU C C 528 173.484 173.484 176.359 -2.875 18462 1836 1 3 . 1 1 528 528 GLU CA C 528 57.390 57.390 56.020 1.370 18462 1837 1 3 . 1 1 528 528 GLU CB C 528 29.608 29.608 29.258 0.350 18462 1838 1 3 . 1 1 528 528 GLU H H 528 8.704 8.704 8.455 0.249 18462 1839 1 3 . 1 1 529 529 LYS N N 529 125.068 125.068 121.757 3.311 18462 1840 1 3 . 1 1 529 529 LYS HA H 529 4.041 4.041 4.261 -0.220 18462 1841 1 3 . 1 1 529 529 LYS C C 529 176.881 176.881 174.573 2.308 18462 1842 1 3 . 1 1 529 529 LYS CA C 529 57.585 57.585 56.771 0.814 18462 1843 1 3 . 1 1 529 529 LYS CB C 529 33.212 33.212 33.215 -0.003 18462 1844 1 3 . 1 1 529 529 LYS H H 529 8.696 8.696 7.529 1.167 18462 1845 1 3 . 1 1 530 530 VAL N N 530 119.525 119.525 123.100 -3.575 18462 1846 1 3 . 1 1 530 530 VAL HA H 530 4.541 4.541 4.338 0.203 18462 1847 1 3 . 1 1 530 530 VAL C C 530 175.118 175.118 175.477 -0.359 18462 1848 1 3 . 1 1 530 530 VAL CA C 530 60.633 60.633 61.575 -0.942 18462 1849 1 3 . 1 1 530 530 VAL CB C 530 34.150 34.150 34.154 -0.004 18462 1850 1 3 . 1 1 530 530 VAL H H 530 8.054 8.054 8.295 -0.241 18462 1851 1 3 . 1 1 531 531 PHE N N 531 122.568 122.568 125.578 -3.010 18462 1852 1 3 . 1 1 531 531 PHE C C 531 174.185 174.185 173.969 0.216 18462 1853 1 3 . 1 1 531 531 PHE CA C 531 55.586 55.586 54.554 1.032 18462 1854 1 3 . 1 1 531 531 PHE CB C 531 41.184 41.184 40.912 0.272 18462 1855 1 3 . 1 1 531 531 PHE H H 531 8.167 8.167 8.422 -0.255 18462 1856 1 3 . 1 1 532 532 PRO HA H 532 4.359 4.359 4.062 0.297 18462 1857 1 3 . 1 1 532 532 PRO CA C 532 62.216 62.216 62.653 -0.437 18462 1858 1 3 . 1 1 532 532 PRO CB C 532 29.930 29.930 31.883 -1.953 18462 1859 1 3 . 1 1 533 533 LEU N N 533 122.335 122.335 118.148 4.187 18462 1860 1 3 . 1 1 533 533 LEU HA H 533 4.086 4.086 3.915 0.171 18462 1861 1 3 . 1 1 533 533 LEU C C 533 175.091 175.091 176.290 -1.199 18462 1862 1 3 . 1 1 533 533 LEU CA C 533 55.006 55.006 53.088 1.918 18462 1863 1 3 . 1 1 533 533 LEU CB C 533 43.529 43.529 44.430 -0.901 18462 1864 1 3 . 1 1 533 533 LEU H H 533 6.587 6.587 7.351 -0.764 18462 1865 1 3 . 1 1 534 534 ALA N N 534 126.722 126.722 126.078 0.644 18462 1866 1 3 . 1 1 534 534 ALA HA H 534 2.993 2.993 3.668 -0.675 18462 1867 1 3 . 1 1 534 534 ALA C C 534 175.439 175.439 179.240 -3.801 18462 1868 1 3 . 1 1 534 534 ALA CA C 534 54.537 54.537 55.034 -0.497 18462 1869 1 3 . 1 1 534 534 ALA CB C 534 18.452 18.452 17.574 0.878 18462 1870 1 3 . 1 1 534 534 ALA H H 534 7.698 7.698 7.970 -0.272 18462 1871 1 3 . 1 1 535 535 GLU N N 535 119.354 119.354 119.186 0.168 18462 1872 1 3 . 1 1 535 535 GLU HA H 535 4.675 4.675 4.079 0.596 18462 1873 1 3 . 1 1 535 535 GLU C C 535 180.126 180.126 178.847 1.279 18462 1874 1 3 . 1 1 535 535 GLU CA C 535 58.526 58.526 59.904 -1.378 18462 1875 1 3 . 1 1 535 535 GLU H H 535 9.535 9.535 8.666 0.869 18462 1876 1 3 . 1 1 536 536 TYR N N 536 114.592 114.592 117.333 -2.741 18462 1877 1 3 . 1 1 536 536 TYR HA H 536 4.368 4.368 4.316 0.052 18462 1878 1 3 . 1 1 536 536 TYR C C 536 178.004 178.004 178.768 -0.764 18462 1879 1 3 . 1 1 536 536 TYR CA C 536 56.179 56.179 58.781 -2.602 18462 1880 1 3 . 1 1 536 536 TYR CB C 536 35.556 35.556 37.235 -1.679 18462 1881 1 3 . 1 1 536 536 TYR H H 536 6.552 6.552 8.001 -1.449 18462 1882 1 3 . 1 1 537 537 ARG N N 537 119.820 119.820 120.034 -0.214 18462 1883 1 3 . 1 1 537 537 ARG HA H 537 3.209 3.209 4.355 -1.146 18462 1884 1 3 . 1 1 537 537 ARG C C 537 179.469 179.469 178.714 0.755 18462 1885 1 3 . 1 1 537 537 ARG CA C 537 59.131 59.131 59.047 0.084 18462 1886 1 3 . 1 1 537 537 ARG CB C 537 27.179 27.179 29.507 -2.328 18462 1887 1 3 . 1 1 537 537 ARG H H 537 7.016 7.016 7.665 -0.648 18462 1888 1 3 . 1 1 538 538 THR N N 538 120.080 120.080 117.582 2.498 18462 1889 1 3 . 1 1 538 538 THR HA H 538 3.939 3.939 4.178 -0.239 18462 1890 1 3 . 1 1 538 538 THR C C 538 177.538 177.538 176.869 0.669 18462 1891 1 3 . 1 1 538 538 THR CA C 538 66.026 66.026 66.929 -0.903 18462 1892 1 3 . 1 1 538 538 THR CB C 538 66.964 66.964 68.475 -1.511 18462 1893 1 3 . 1 1 538 538 THR H H 538 8.410 8.410 8.536 -0.126 18462 1894 1 3 . 1 1 539 539 LYS N N 539 117.252 117.252 119.717 -2.465 18462 1895 1 3 . 1 1 539 539 LYS HA H 539 4.054 4.054 4.201 -0.147 18462 1896 1 3 . 1 1 539 539 LYS C C 539 176.139 176.139 179.243 -3.104 18462 1897 1 3 . 1 1 539 539 LYS CA C 539 57.116 57.116 58.493 -1.377 18462 1898 1 3 . 1 1 539 539 LYS CB C 539 31.859 31.859 31.824 0.035 18462 1899 1 3 . 1 1 539 539 LYS H H 539 8.012 8.012 8.638 -0.626 18462 1900 1 3 . 1 1 540 540 HIS N N 540 118.983 118.983 119.777 -0.794 18462 1901 1 3 . 1 1 540 540 HIS HA H 540 4.548 4.548 4.383 0.165 18462 1902 1 3 . 1 1 540 540 HIS C C 540 179.568 179.568 177.503 2.065 18462 1903 1 3 . 1 1 540 540 HIS CA C 540 58.758 58.758 59.873 -1.115 18462 1904 1 3 . 1 1 540 540 HIS CB C 540 28.260 28.260 30.270 -2.010 18462 1905 1 3 . 1 1 540 540 HIS H H 540 7.536 7.536 8.211 -0.675 18462 1906 1 3 . 1 1 541 541 GLU N N 541 122.073 122.073 119.972 2.101 18462 1907 1 3 . 1 1 541 541 GLU HA H 541 4.215 4.215 4.506 -0.291 18462 1908 1 3 . 1 1 541 541 GLU C C 541 177.829 177.829 178.993 -1.164 18462 1909 1 3 . 1 1 541 541 GLU CA C 541 61.181 61.181 59.496 1.685 18462 1910 1 3 . 1 1 541 541 GLU CB C 541 29.712 29.712 29.880 -0.168 18462 1911 1 3 . 1 1 541 541 GLU H H 541 9.540 9.540 8.584 0.956 18462 1912 1 3 . 1 1 542 542 ILE N N 542 121.307 121.307 119.794 1.513 18462 1913 1 3 . 1 1 542 542 ILE HA H 542 4.335 4.335 3.900 0.435 18462 1914 1 3 . 1 1 542 542 ILE C C 542 179.666 179.666 177.822 1.844 18462 1915 1 3 . 1 1 542 542 ILE CA C 542 61.806 61.806 65.282 -3.476 18462 1916 1 3 . 1 1 542 542 ILE CB C 542 36.729 36.729 38.114 -1.385 18462 1917 1 3 . 1 1 542 542 ILE H H 542 8.275 8.275 8.486 -0.211 18462 1918 1 3 . 1 1 543 543 HIS N N 543 118.514 118.514 119.476 -0.962 18462 1919 1 3 . 1 1 543 543 HIS HA H 543 4.257 4.257 4.436 -0.179 18462 1920 1 3 . 1 1 543 543 HIS C C 543 178.283 178.283 176.740 1.543 18462 1921 1 3 . 1 1 543 543 HIS CA C 543 58.758 58.758 59.074 -0.316 18462 1922 1 3 . 1 1 543 543 HIS CB C 543 26.882 26.882 29.662 -2.780 18462 1923 1 3 . 1 1 543 543 HIS H H 543 7.744 7.744 7.740 0.004 18462 1924 1 3 . 1 1 544 544 HIS N N 544 115.805 115.805 116.528 -0.723 18462 1925 1 3 . 1 1 544 544 HIS HA H 544 4.317 4.317 4.367 -0.050 18462 1926 1 3 . 1 1 544 544 HIS C C 544 178.058 178.058 176.953 1.105 18462 1927 1 3 . 1 1 544 544 HIS CA C 544 58.054 58.054 58.669 -0.615 18462 1928 1 3 . 1 1 544 544 HIS CB C 544 36.882 36.882 30.119 6.763 18462 1929 1 3 . 1 1 544 544 HIS H H 544 7.537 7.537 7.616 -0.079 18462 1930 1 3 . 1 1 545 545 THR N N 545 109.469 109.469 111.242 -1.773 18462 1931 1 3 . 1 1 545 545 THR HA H 545 4.184 4.184 4.152 0.032 18462 1932 1 3 . 1 1 545 545 THR C C 545 177.277 177.277 176.215 1.062 18462 1933 1 3 . 1 1 545 545 THR CA C 545 62.509 62.509 63.485 -0.976 18462 1934 1 3 . 1 1 545 545 THR CB C 545 68.839 68.839 70.058 -1.220 18462 1935 1 3 . 1 1 545 545 THR H H 545 7.991 7.991 8.131 -0.140 18462 1936 1 3 . 1 1 546 546 GLY N N 546 113.407 113.407 110.610 2.797 18462 1937 1 3 . 1 1 546 546 GLY C C 546 177.501 177.501 173.862 3.639 18462 1938 1 3 . 1 1 546 546 GLY CA C 546 44.935 44.935 45.098 -0.163 18462 1939 1 3 . 1 1 546 546 GLY H H 546 8.530 8.530 8.213 0.317 18462 1940 1 3 . 1 1 547 547 GLU N N 547 123.901 123.901 120.526 3.375 18462 1941 1 3 . 1 1 547 547 GLU HA H 547 3.913 3.913 4.111 -0.198 18462 1942 1 3 . 1 1 547 547 GLU C C 547 173.687 173.687 176.239 -2.552 18462 1943 1 3 . 1 1 547 547 GLU CA C 547 56.413 56.413 56.761 -0.348 18462 1944 1 3 . 1 1 547 547 GLU CB C 547 29.123 29.123 30.500 -1.377 18462 1945 1 3 . 1 1 547 547 GLU H H 547 7.301 7.301 7.630 -0.329 18462 1946 1 3 . 1 1 548 548 ARG N N 548 128.505 128.505 127.131 1.374 18462 1947 1 3 . 1 1 548 548 ARG HA H 548 4.444 4.444 4.344 0.100 18462 1948 1 3 . 1 1 548 548 ARG C C 548 175.180 175.180 176.628 -1.448 18462 1949 1 3 . 1 1 548 548 ARG CA C 548 55.059 55.059 56.982 -1.923 18462 1950 1 3 . 1 1 548 548 ARG CB C 548 29.227 29.227 29.666 -0.439 18462 1951 1 3 . 1 1 548 548 ARG H H 548 8.752 8.752 8.672 0.080 18462 1952 1 3 . 1 1 549 549 ARG N N 549 121.815 121.815 121.834 -0.019 18462 1953 1 3 . 1 1 549 549 ARG HA H 549 4.205 4.205 4.639 -0.434 18462 1954 1 3 . 1 1 549 549 ARG C C 549 175.850 175.850 176.106 -0.256 18462 1955 1 3 . 1 1 549 549 ARG CA C 549 57.350 57.350 55.887 1.463 18462 1956 1 3 . 1 1 549 549 ARG CB C 549 32.980 32.980 32.893 0.087 18462 1957 1 3 . 1 1 549 549 ARG H H 549 9.440 9.440 8.907 0.533 18462 1958 1 3 . 1 1 550 550 TYR N N 550 116.087 116.087 119.798 -3.711 18462 1959 1 3 . 1 1 550 550 TYR C C 550 176.129 176.129 175.010 1.119 18462 1960 1 3 . 1 1 550 550 TYR CA C 550 58.169 58.169 57.573 0.596 18462 1961 1 3 . 1 1 550 550 TYR CB C 550 38.994 38.994 38.192 0.802 18462 1962 1 3 . 1 1 550 550 TYR H H 550 8.287 8.287 8.255 0.032 18462 1963 1 3 . 1 1 551 551 GLN N N 551 125.096 125.096 124.827 0.269 18462 1964 1 3 . 1 1 551 551 GLN HA H 551 5.275 5.275 5.220 0.055 18462 1965 1 3 . 1 1 551 551 GLN C C 551 175.080 175.080 174.878 0.202 18462 1966 1 3 . 1 1 551 551 GLN CA C 551 53.610 53.610 54.180 -0.570 18462 1967 1 3 . 1 1 551 551 GLN CB C 551 31.152 31.152 32.374 -1.222 18462 1968 1 3 . 1 1 551 551 GLN H H 551 9.656 9.656 9.352 0.304 18462 1969 1 3 . 1 1 552 552 CYS N N 552 128.697 128.697 125.843 2.854 18462 1970 1 3 . 1 1 552 552 CYS HA H 552 4.584 4.584 4.774 -0.190 18462 1971 1 3 . 1 1 552 552 CYS C C 552 175.231 175.231 175.284 -0.053 18462 1972 1 3 . 1 1 552 552 CYS CA C 552 59.461 59.461 60.130 -0.669 18462 1973 1 3 . 1 1 552 552 CYS CB C 552 29.695 29.695 28.478 1.217 18462 1974 1 3 . 1 1 552 552 CYS H H 552 9.427 9.427 9.306 0.121 18462 1975 1 3 . 1 1 553 553 LEU N N 553 130.168 130.168 125.579 4.589 18462 1976 1 3 . 1 1 553 553 LEU HA H 553 4.396 4.396 4.486 -0.090 18462 1977 1 3 . 1 1 553 553 LEU C C 553 177.402 177.402 178.066 -0.664 18462 1978 1 3 . 1 1 553 553 LEU CA C 553 55.710 55.710 56.200 -0.490 18462 1979 1 3 . 1 1 553 553 LEU CB C 553 40.246 40.246 42.149 -1.903 18462 1980 1 3 . 1 1 553 553 LEU H H 553 8.632 8.632 9.068 -0.436 18462 1981 1 3 . 1 1 554 554 ALA N N 554 125.048 125.048 123.206 1.842 18462 1982 1 3 . 1 1 554 554 ALA HA H 554 4.295 4.295 4.129 0.166 18462 1983 1 3 . 1 1 554 554 ALA C C 554 177.657 177.657 178.118 -0.461 18462 1984 1 3 . 1 1 554 554 ALA CA C 554 53.610 53.610 54.284 -0.674 18462 1985 1 3 . 1 1 554 554 ALA CB C 554 16.577 16.577 18.822 -2.245 18462 1986 1 3 . 1 1 554 554 ALA H H 554 8.847 8.847 8.230 0.617 18462 1987 1 3 . 1 1 555 555 CYS N N 555 113.388 113.388 112.642 0.746 18462 1988 1 3 . 1 1 555 555 CYS HA H 555 5.299 5.299 4.986 0.313 18462 1989 1 3 . 1 1 555 555 CYS C C 555 178.854 178.854 175.836 3.018 18462 1990 1 3 . 1 1 555 555 CYS CA C 555 57.820 57.820 57.216 0.604 18462 1991 1 3 . 1 1 555 555 CYS CB C 555 31.665 31.665 29.460 2.205 18462 1992 1 3 . 1 1 555 555 CYS H H 555 8.146 8.146 7.811 0.335 18462 1993 1 3 . 1 1 556 556 GLY N N 556 114.264 114.264 109.735 4.529 18462 1994 1 3 . 1 1 556 556 GLY C C 556 176.084 176.084 174.729 1.355 18462 1995 1 3 . 1 1 556 556 GLY CA C 556 45.639 45.639 45.564 0.075 18462 1996 1 3 . 1 1 556 556 GLY H H 556 8.104 8.104 8.502 -0.398 18462 1997 1 3 . 1 1 557 557 LYS N N 557 123.318 123.318 121.162 2.156 18462 1998 1 3 . 1 1 557 557 LYS HA H 557 4.110 4.110 4.118 -0.008 18462 1999 1 3 . 1 1 557 557 LYS C C 557 174.300 174.300 175.700 -1.400 18462 2000 1 3 . 1 1 557 557 LYS CA C 557 57.585 57.585 56.795 0.790 18462 2001 1 3 . 1 1 557 557 LYS CB C 557 33.447 33.447 33.057 0.390 18462 2002 1 3 . 1 1 557 557 LYS H H 557 8.043 8.043 7.599 0.444 18462 2003 1 3 . 1 1 558 558 SER N N 558 115.947 115.947 116.411 -0.464 18462 2004 1 3 . 1 1 558 558 SER HA H 558 5.661 5.661 5.143 0.518 18462 2005 1 3 . 1 1 558 558 SER C C 558 174.321 174.321 173.436 0.885 18462 2006 1 3 . 1 1 558 558 SER CA C 558 56.179 56.179 57.142 -0.963 18462 2007 1 3 . 1 1 558 558 SER CB C 558 65.088 65.088 65.371 -0.283 18462 2008 1 3 . 1 1 558 558 SER H H 558 7.864 7.864 8.144 -0.280 18462 2009 1 3 . 1 1 559 559 PHE N N 559 117.815 117.815 120.613 -2.798 18462 2010 1 3 . 1 1 559 559 PHE HA H 559 4.781 4.781 4.814 -0.033 18462 2011 1 3 . 1 1 559 559 PHE C C 559 173.632 173.632 175.947 -2.315 18462 2012 1 3 . 1 1 559 559 PHE CA C 559 56.687 56.687 57.025 -0.338 18462 2013 1 3 . 1 1 559 559 PHE CB C 559 44.232 44.232 42.107 2.125 18462 2014 1 3 . 1 1 559 559 PHE H H 559 9.488 9.488 8.968 0.520 18462 2015 1 3 . 1 1 560 560 ILE N N 560 118.092 118.092 120.015 -1.923 18462 2016 1 3 . 1 1 560 560 ILE HA H 560 4.470 4.470 4.237 0.233 18462 2017 1 3 . 1 1 560 560 ILE C C 560 175.986 175.986 174.585 1.401 18462 2018 1 3 . 1 1 560 560 ILE CA C 560 62.040 62.040 62.892 -0.852 18462 2019 1 3 . 1 1 560 560 ILE CB C 560 39.308 39.308 38.394 0.914 18462 2020 1 3 . 1 1 560 560 ILE H H 560 9.306 9.306 8.541 0.765 18462 2021 1 3 . 1 1 561 561 ASN N N 561 114.751 114.751 112.351 2.400 18462 2022 1 3 . 1 1 561 561 ASN HA H 561 4.683 4.683 4.994 -0.311 18462 2023 1 3 . 1 1 561 561 ASN C C 561 175.350 175.350 174.382 0.968 18462 2024 1 3 . 1 1 561 561 ASN CA C 561 50.797 50.797 51.685 -0.888 18462 2025 1 3 . 1 1 561 561 ASN CB C 561 39.777 39.777 40.061 -0.284 18462 2026 1 3 . 1 1 561 561 ASN H H 561 7.387 7.387 7.619 -0.232 18462 2027 1 3 . 1 1 562 562 TYR N N 562 118.833 118.833 120.484 -1.651 18462 2028 1 3 . 1 1 562 562 TYR C C 562 172.730 172.730 176.847 -4.117 18462 2029 1 3 . 1 1 562 562 TYR CA C 562 59.907 59.907 62.016 -2.108 18462 2030 1 3 . 1 1 562 562 TYR CB C 562 38.480 38.480 38.011 0.469 18462 2031 1 3 . 1 1 562 562 TYR H H 562 8.243 8.243 8.350 -0.107 18462 2032 1 3 . 1 1 563 563 GLN N N 563 119.525 119.525 118.117 1.408 18462 2033 1 3 . 1 1 563 563 GLN HA H 563 3.720 3.720 3.894 -0.174 18462 2034 1 3 . 1 1 563 563 GLN C C 563 176.326 176.326 178.261 -1.935 18462 2035 1 3 . 1 1 563 563 GLN CA C 563 61.102 61.102 59.639 1.463 18462 2036 1 3 . 1 1 563 563 GLN CB C 563 25.450 25.450 27.680 -2.230 18462 2037 1 3 . 1 1 563 563 GLN H H 563 8.524 8.524 8.355 0.169 18462 2038 1 3 . 1 1 564 564 PHE N N 564 118.625 118.625 118.968 -0.343 18462 2039 1 3 . 1 1 564 564 PHE HA H 564 4.427 4.427 4.106 0.321 18462 2040 1 3 . 1 1 564 564 PHE C C 564 179.429 179.429 177.440 1.989 18462 2041 1 3 . 1 1 564 564 PHE CA C 564 59.461 59.461 60.776 -1.315 18462 2042 1 3 . 1 1 564 564 PHE CB C 564 38.488 38.488 38.651 -0.163 18462 2043 1 3 . 1 1 564 564 PHE H H 564 8.904 8.904 8.868 0.036 18462 2044 1 3 . 1 1 565 565 MET N N 565 120.996 120.996 119.234 1.762 18462 2045 1 3 . 1 1 565 565 MET HA H 565 3.720 3.720 2.973 0.747 18462 2046 1 3 . 1 1 565 565 MET C C 565 178.642 178.642 177.408 1.234 18462 2047 1 3 . 1 1 565 565 MET CA C 565 58.037 58.037 57.831 0.206 18462 2048 1 3 . 1 1 565 565 MET H H 565 7.153 7.153 7.628 -0.475 18462 2049 1 3 . 1 1 566 566 SER N N 566 115.706 115.706 115.244 0.462 18462 2050 1 3 . 1 1 566 566 SER HA H 566 3.720 3.720 3.715 0.005 18462 2051 1 3 . 1 1 566 566 SER C C 566 176.710 176.710 176.419 0.291 18462 2052 1 3 . 1 1 566 566 SER CA C 566 60.633 60.633 61.324 -0.691 18462 2053 1 3 . 1 1 566 566 SER CB C 566 62.040 62.040 62.436 -0.396 18462 2054 1 3 . 1 1 566 566 SER H H 566 8.918 8.918 8.098 0.820 18462 2055 1 3 . 1 1 567 567 SER N N 567 114.335 114.335 117.247 -2.912 18462 2056 1 3 . 1 1 567 567 SER HA H 567 4.212 4.212 3.981 0.231 18462 2057 1 3 . 1 1 567 567 SER C C 567 176.849 176.849 176.336 0.513 18462 2058 1 3 . 1 1 567 567 SER CA C 567 60.868 60.868 61.333 -0.465 18462 2059 1 3 . 1 1 567 567 SER CB C 567 61.806 61.806 63.087 -1.281 18462 2060 1 3 . 1 1 567 567 SER H H 567 7.933 7.933 7.476 0.457 18462 2061 1 3 . 1 1 568 568 HIS N N 568 120.659 120.659 121.399 -0.740 18462 2062 1 3 . 1 1 568 568 HIS HA H 568 4.327 4.327 4.219 0.108 18462 2063 1 3 . 1 1 568 568 HIS C C 568 177.652 177.652 177.291 0.361 18462 2064 1 3 . 1 1 568 568 HIS CA C 568 58.992 58.992 59.343 -0.350 18462 2065 1 3 . 1 1 568 568 HIS CB C 568 27.234 27.234 29.282 -2.048 18462 2066 1 3 . 1 1 568 568 HIS H H 568 7.594 7.594 7.842 -0.248 18462 2067 1 3 . 1 1 569 569 ILE N N 569 120.858 120.858 119.796 1.062 18462 2068 1 3 . 1 1 569 569 ILE HA H 569 3.562 3.562 3.483 0.079 18462 2069 1 3 . 1 1 569 569 ILE C C 569 175.925 175.925 178.334 -2.409 18462 2070 1 3 . 1 1 569 569 ILE CA C 569 66.729 66.729 65.089 1.640 18462 2071 1 3 . 1 1 569 569 ILE CB C 569 37.198 37.198 37.729 -0.531 18462 2072 1 3 . 1 1 569 569 ILE H H 569 8.640 8.640 7.925 0.715 18462 2073 1 3 . 1 1 570 570 LYS N N 570 118.876 118.876 120.055 -1.179 18462 2074 1 3 . 1 1 570 570 LYS HA H 570 4.329 4.329 4.171 0.158 18462 2075 1 3 . 1 1 570 570 LYS C C 570 178.927 178.927 179.067 -0.140 18462 2076 1 3 . 1 1 570 570 LYS CA C 570 59.461 59.461 59.466 -0.005 18462 2077 1 3 . 1 1 570 570 LYS CB C 570 32.743 32.743 32.375 0.368 18462 2078 1 3 . 1 1 570 570 LYS H H 570 8.463 8.463 7.927 0.536 18462 2079 1 3 . 1 1 571 571 SER N N 571 112.612 112.612 114.028 -1.416 18462 2080 1 3 . 1 1 571 571 SER HA H 571 4.323 4.323 4.194 0.129 18462 2081 1 3 . 1 1 571 571 SER C C 571 179.258 179.258 176.217 3.041 18462 2082 1 3 . 1 1 571 571 SER CA C 571 59.930 59.930 61.018 -1.088 18462 2083 1 3 . 1 1 571 571 SER CB C 571 62.978 62.978 63.233 -0.255 18462 2084 1 3 . 1 1 571 571 SER H H 571 7.997 7.997 7.960 0.037 18462 2085 1 3 . 1 1 572 572 VAL N N 572 120.208 120.208 120.032 0.176 18462 2086 1 3 . 1 1 572 572 VAL HA H 572 3.789 3.789 3.741 0.048 18462 2087 1 3 . 1 1 572 572 VAL C C 572 176.245 176.245 177.069 -0.824 18462 2088 1 3 . 1 1 572 572 VAL CA C 572 63.916 63.916 64.617 -0.701 18462 2089 1 3 . 1 1 572 572 VAL CB C 572 31.337 31.337 31.920 -0.583 18462 2090 1 3 . 1 1 572 572 VAL H H 572 8.615 8.615 7.941 0.674 18462 2091 1 3 . 1 1 573 573 HIS N N 573 113.735 113.735 115.768 -2.033 18462 2092 1 3 . 1 1 573 573 HIS HA H 573 5.102 5.102 4.743 0.359 18462 2093 1 3 . 1 1 573 573 HIS C C 573 177.042 177.042 174.700 2.342 18462 2094 1 3 . 1 1 573 573 HIS CA C 573 53.376 53.376 55.324 -1.948 18462 2095 1 3 . 1 1 573 573 HIS CB C 573 28.210 28.210 30.413 -2.203 18462 2096 1 3 . 1 1 573 573 HIS H H 573 7.067 7.067 7.465 -0.398 18462 2097 1 3 . 1 1 574 574 SER N N 574 112.537 112.537 113.226 -0.689 18462 2098 1 3 . 1 1 574 574 SER HA H 574 4.421 4.421 4.277 0.144 18462 2099 1 3 . 1 1 574 574 SER C C 574 174.525 174.525 173.827 0.698 18462 2100 1 3 . 1 1 574 574 SER CA C 574 58.054 58.054 59.300 -1.246 18462 2101 1 3 . 1 1 574 574 SER CB C 574 61.102 61.102 61.782 -0.680 18462 2102 1 3 . 1 1 574 574 SER H H 574 7.325 7.325 8.042 -0.717 18462 2103 1 3 . 1 1 575 575 GLN N N 575 117.032 117.032 117.974 -0.942 18462 2104 1 3 . 1 1 575 575 GLN HA H 575 4.659 4.659 4.549 0.110 18462 2105 1 3 . 1 1 575 575 GLN C C 575 173.993 173.993 173.670 0.323 18462 2106 1 3 . 1 1 575 575 GLN CA C 575 53.376 53.376 54.236 -0.860 18462 2107 1 3 . 1 1 575 575 GLN CB C 575 32.743 32.743 32.685 0.057 18462 2108 1 3 . 1 1 575 575 GLN H H 575 7.480 7.480 7.241 0.239 18462 2109 1 3 . 1 1 576 576 ASP N N 576 118.953 118.953 121.509 -2.556 18462 2110 1 3 . 1 1 576 576 ASP HA H 576 4.992 4.992 4.935 0.057 18462 2111 1 3 . 1 1 576 576 ASP C C 576 173.387 173.387 176.276 -2.889 18462 2112 1 3 . 1 1 576 576 ASP CA C 576 50.094 50.094 50.116 -0.022 18462 2113 1 3 . 1 1 576 576 ASP CB C 576 41.301 41.301 42.005 -0.704 18462 2114 1 3 . 1 1 576 576 ASP H H 576 8.173 8.173 8.565 -0.392 18462 2115 1 3 . 1 1 577 577 PRO HA H 577 4.629 4.629 4.577 0.052 18462 2116 1 3 . 1 1 577 577 PRO CA C 577 63.212 63.212 63.984 -0.772 18462 2117 1 3 . 1 1 577 577 PRO CB C 577 31.806 31.806 32.490 -0.684 18462 2118 1 3 . 1 1 578 578 SER N N 578 114.986 114.986 113.476 1.510 18462 2119 1 3 . 1 1 578 578 SER HA H 578 4.820 4.820 4.464 0.356 18462 2120 1 3 . 1 1 578 578 SER C C 578 176.301 176.301 175.716 0.585 18462 2121 1 3 . 1 1 578 578 SER CA C 578 58.054 58.054 58.662 -0.608 18462 2122 1 3 . 1 1 578 578 SER CB C 578 63.447 63.447 63.381 0.066 18462 2123 1 3 . 1 1 578 578 SER H H 578 8.387 8.387 8.386 0.001 18462 2124 1 3 . 1 1 579 579 GLY N N 579 111.279 111.279 110.206 1.073 18462 2125 1 3 . 1 1 579 579 GLY C C 579 175.262 175.262 174.260 1.002 18462 2126 1 3 . 1 1 579 579 GLY CA C 579 44.935 44.935 44.804 0.131 18462 2127 1 3 . 1 1 579 579 GLY H H 579 8.554 8.554 7.493 1.061 18462 2128 1 3 . 1 1 580 580 ASP N N 580 121.402 121.402 120.429 0.973 18462 2129 1 3 . 1 1 580 580 ASP HA H 580 4.700 4.700 4.808 -0.108 18462 2130 1 3 . 1 1 580 580 ASP C C 580 174.329 174.329 176.979 -2.650 18462 2131 1 3 . 1 1 580 580 ASP CA C 580 53.845 53.845 53.912 -0.067 18462 2132 1 3 . 1 1 580 580 ASP CB C 580 40.012 40.012 41.180 -1.168 18462 2133 1 3 . 1 1 580 580 ASP H H 580 8.386 8.386 8.491 -0.105 18462 2134 1 3 . 1 1 581 581 SER N N 581 115.668 115.668 115.294 0.374 18462 2135 1 3 . 1 1 581 581 SER HA H 581 4.421 4.421 4.500 -0.079 18462 2136 1 3 . 1 1 581 581 SER C C 581 176.108 176.108 174.965 1.143 18462 2137 1 3 . 1 1 581 581 SER CA C 581 58.054 58.054 58.482 -0.428 18462 2138 1 3 . 1 1 581 581 SER CB C 581 63.212 63.212 64.189 -0.977 18462 2139 1 3 . 1 1 581 581 SER H H 581 8.015 8.015 8.222 -0.207 18462 2140 1 3 . 1 1 582 582 LYS N N 582 120.544 120.544 120.310 0.234 18462 2141 1 3 . 1 1 582 582 LYS HA H 582 4.329 4.329 4.032 0.297 18462 2142 1 3 . 1 1 582 582 LYS C C 582 174.302 174.302 175.437 -1.135 18462 2143 1 3 . 1 1 582 582 LYS CA C 582 55.944 55.944 56.941 -0.997 18462 2144 1 3 . 1 1 582 582 LYS CB C 582 30.868 30.868 30.189 0.679 18462 2145 1 3 . 1 1 582 582 LYS H H 582 8.453 8.453 8.387 0.066 18462 2146 1 3 . 1 1 583 583 LEU N N 583 119.514 119.514 118.788 0.726 18462 2147 1 3 . 1 1 583 583 LEU HA H 583 4.458 4.458 4.427 0.031 18462 2148 1 3 . 1 1 583 583 LEU C C 583 176.924 176.924 175.226 1.698 18462 2149 1 3 . 1 1 583 583 LEU CA C 583 54.303 54.303 54.427 -0.124 18462 2150 1 3 . 1 1 583 583 LEU CB C 583 43.060 43.060 42.336 0.724 18462 2151 1 3 . 1 1 583 583 LEU H H 583 8.391 8.391 8.580 -0.189 18462 2152 1 3 . 1 1 584 584 TYR N N 584 115.291 115.291 113.657 1.634 18462 2153 1 3 . 1 1 584 584 TYR HA H 584 5.714 5.714 5.490 0.224 18462 2154 1 3 . 1 1 584 584 TYR C C 584 175.675 175.675 173.608 2.067 18462 2155 1 3 . 1 1 584 584 TYR CA C 584 54.303 54.303 55.115 -0.812 18462 2156 1 3 . 1 1 584 584 TYR CB C 584 42.420 42.420 41.531 0.889 18462 2157 1 3 . 1 1 584 584 TYR H H 584 7.625 7.625 7.258 0.367 18462 2158 1 3 . 1 1 585 585 ARG N N 585 120.321 120.321 120.995 -0.674 18462 2159 1 3 . 1 1 585 585 ARG HA H 585 4.407 4.407 4.397 0.010 18462 2160 1 3 . 1 1 585 585 ARG C C 585 172.342 172.342 173.340 -0.998 18462 2161 1 3 . 1 1 585 585 ARG CA C 585 53.376 53.376 54.444 -1.068 18462 2162 1 3 . 1 1 585 585 ARG CB C 585 33.916 33.916 34.539 -0.623 18462 2163 1 3 . 1 1 585 585 ARG H H 585 9.141 9.141 9.268 -0.127 18462 2164 1 3 . 1 1 586 586 LEU N N 586 129.013 129.013 127.001 2.012 18462 2165 1 3 . 1 1 586 586 LEU HA H 586 4.768 4.768 4.862 -0.094 18462 2166 1 3 . 1 1 586 586 LEU C C 586 173.449 173.449 175.116 -1.667 18462 2167 1 3 . 1 1 586 586 LEU CA C 586 52.438 52.438 54.220 -1.782 18462 2168 1 3 . 1 1 586 586 LEU CB C 586 41.653 41.653 43.040 -1.387 18462 2169 1 3 . 1 1 586 586 LEU H H 586 8.581 8.581 8.424 0.157 18462 2170 1 3 . 1 1 587 587 HIS N N 587 127.447 127.447 125.430 2.017 18462 2171 1 3 . 1 1 587 587 HIS HA H 587 4.650 4.650 4.959 -0.309 18462 2172 1 3 . 1 1 587 587 HIS C C 587 175.512 175.512 173.663 1.849 18462 2173 1 3 . 1 1 587 587 HIS CA C 587 55.544 55.544 54.506 1.038 18462 2174 1 3 . 1 1 587 587 HIS CB C 587 29.930 29.930 30.994 -1.064 18462 2175 1 3 . 1 1 587 587 HIS H H 587 9.132 9.132 8.874 0.258 18462 2176 1 3 . 1 1 588 588 PRO HA H 588 4.441 4.441 4.492 -0.051 18462 2177 1 3 . 1 1 588 588 PRO CA C 588 62.509 62.509 63.373 -0.864 18462 2178 1 3 . 1 1 588 588 PRO CB C 588 31.688 31.688 32.506 -0.818 18462 2179 1 3 . 1 1 589 589 CYS N N 589 124.057 124.057 120.582 3.475 18462 2180 1 3 . 1 1 589 589 CYS HA H 589 4.275 4.275 4.579 -0.304 18462 2181 1 3 . 1 1 589 589 CYS C C 589 174.401 174.401 174.814 -0.413 18462 2182 1 3 . 1 1 589 589 CYS CA C 589 58.289 58.289 57.939 0.350 18462 2183 1 3 . 1 1 589 589 CYS CB C 589 26.413 26.413 28.994 -2.581 18462 2184 1 3 . 1 1 589 589 CYS H H 589 9.475 9.475 8.646 0.829 18462 2185 1 3 . 1 1 590 590 ARG N N 590 130.942 130.942 126.969 3.973 18462 2186 1 3 . 1 1 590 590 ARG HA H 590 4.689 4.689 4.601 0.088 18462 2187 1 3 . 1 1 590 590 ARG C C 590 175.091 175.091 176.894 -1.803 18462 2188 1 3 . 1 1 590 590 ARG CA C 590 55.241 55.241 56.199 -0.958 18462 2189 1 3 . 1 1 590 590 ARG CB C 590 30.633 30.633 31.265 -0.632 18462 2190 1 3 . 1 1 590 590 ARG H H 590 7.227 7.227 9.324 -2.097 18462 2191 1 3 . 1 1 591 591 SER N N 591 117.243 117.243 115.970 1.273 18462 2192 1 3 . 1 1 591 591 SER HA H 591 4.342 4.342 4.335 0.007 18462 2193 1 3 . 1 1 591 591 SER C C 591 178.367 178.367 173.881 4.486 18462 2194 1 3 . 1 1 591 591 SER CA C 591 59.695 59.695 62.002 -2.307 18462 2195 1 3 . 1 1 591 591 SER CB C 591 61.923 61.923 63.778 -1.855 18462 2196 1 3 . 1 1 591 591 SER H H 591 9.571 9.571 8.868 0.703 18462 2197 1 3 . 1 1 592 592 LEU N N 592 121.308 121.308 116.380 4.928 18462 2198 1 3 . 1 1 592 592 LEU HA H 592 4.778 4.778 4.804 -0.026 18462 2199 1 3 . 1 1 592 592 LEU C C 592 173.260 173.260 175.094 -1.834 18462 2200 1 3 . 1 1 592 592 LEU CA C 592 52.846 52.846 53.482 -0.636 18462 2201 1 3 . 1 1 592 592 LEU CB C 592 45.404 45.404 43.851 1.553 18462 2202 1 3 . 1 1 592 592 LEU H H 592 7.369 7.369 7.347 0.022 18462 2203 1 3 . 1 1 593 593 GLN N N 593 122.109 122.109 120.196 1.913 18462 2204 1 3 . 1 1 593 593 GLN HA H 593 4.564 4.564 4.512 0.052 18462 2205 1 3 . 1 1 593 593 GLN C C 593 175.827 175.827 175.203 0.624 18462 2206 1 3 . 1 1 593 593 GLN CA C 593 54.303 54.303 55.864 -1.562 18462 2207 1 3 . 1 1 593 593 GLN CB C 593 26.882 26.882 28.419 -1.537 18462 2208 1 3 . 1 1 593 593 GLN H H 593 8.599 8.599 8.394 0.205 18462 2209 1 3 . 1 1 594 594 ILE N N 594 118.085 118.085 120.036 -1.951 18462 2210 1 3 . 1 1 594 594 ILE HA H 594 4.755 4.755 4.545 0.210 18462 2211 1 3 . 1 1 594 594 ILE C C 594 175.093 175.093 174.686 0.407 18462 2212 1 3 . 1 1 594 594 ILE CA C 594 58.831 58.831 58.847 -0.016 18462 2213 1 3 . 1 1 594 594 ILE CB C 594 42.591 42.591 41.130 1.462 18462 2214 1 3 . 1 1 594 594 ILE H H 594 7.635 7.635 8.062 -0.427 18462 2215 1 3 . 1 1 595 595 ARG N N 595 123.800 123.800 121.626 2.174 18462 2216 1 3 . 1 1 595 595 ARG HA H 595 4.038 4.038 4.280 -0.242 18462 2217 1 3 . 1 1 595 595 ARG C C 595 175.440 175.440 175.734 -0.294 18462 2218 1 3 . 1 1 595 595 ARG CA C 595 56.386 56.386 56.387 -0.001 18462 2219 1 3 . 1 1 595 595 ARG CB C 595 30.516 30.516 30.541 -0.025 18462 2220 1 3 . 1 1 595 595 ARG H H 595 9.075 9.075 8.298 0.777 18462 2221 1 3 . 1 1 596 596 GLN N N 596 124.290 124.290 122.643 1.647 18462 2222 1 3 . 1 1 596 596 GLN HA H 596 4.420 4.420 4.385 0.035 18462 2223 1 3 . 1 1 596 596 GLN C C 596 174.630 174.630 174.907 -0.277 18462 2224 1 3 . 1 1 596 596 GLN CA C 596 52.907 52.907 54.319 -1.412 18462 2225 1 3 . 1 1 596 596 GLN CB C 596 30.164 30.164 28.826 1.337 18462 2226 1 3 . 1 1 596 596 GLN H H 596 8.495 8.495 8.398 0.097 18462 2227 1 3 . 1 1 597 597 TYR N N 597 121.829 121.829 122.011 -0.182 18462 2228 1 3 . 1 1 597 597 TYR HA H 597 4.767 4.767 3.949 0.818 18462 2229 1 3 . 1 1 597 597 TYR C C 597 175.453 175.453 176.710 -1.257 18462 2230 1 3 . 1 1 597 597 TYR CA C 597 57.467 57.467 58.314 -0.847 18462 2231 1 3 . 1 1 597 597 TYR CB C 597 38.839 38.839 38.088 0.751 18462 2232 1 3 . 1 1 597 597 TYR H H 597 7.966 7.966 8.251 -0.285 18462 2233 1 3 . 1 1 598 598 ALA N N 598 129.272 129.272 126.284 2.988 18462 2234 1 3 . 1 1 598 598 ALA HA H 598 4.191 4.191 3.999 0.192 18462 2235 1 3 . 1 1 598 598 ALA C C 598 177.425 177.425 177.834 -0.409 18462 2236 1 3 . 1 1 598 598 ALA CA C 598 54.040 54.040 54.613 -0.573 18462 2237 1 3 . 1 1 598 598 ALA CB C 598 17.749 17.749 18.424 -0.675 18462 2238 1 3 . 1 1 598 598 ALA H H 598 9.540 9.540 8.740 0.800 18462 2239 1 3 . 1 1 599 599 TYR N N 599 115.845 115.845 110.751 5.094 18462 2240 1 3 . 1 1 599 599 TYR HA H 599 4.560 4.560 4.430 0.130 18462 2241 1 3 . 1 1 599 599 TYR C C 599 173.276 173.276 176.164 -2.888 18462 2242 1 3 . 1 1 599 599 TYR CA C 599 58.172 58.172 57.109 1.062 18462 2243 1 3 . 1 1 599 599 TYR CB C 599 36.432 36.432 37.294 -0.862 18462 2244 1 3 . 1 1 599 599 TYR H H 599 8.496 8.496 7.592 0.904 18462 2245 1 3 . 1 1 600 600 LEU N N 600 120.764 120.764 119.053 1.711 18462 2246 1 3 . 1 1 600 600 LEU HA H 600 4.260 4.260 4.455 -0.195 18462 2247 1 3 . 1 1 600 600 LEU C C 600 176.164 176.164 178.317 -2.153 18462 2248 1 3 . 1 1 600 600 LEU CA C 600 54.303 54.303 55.882 -1.579 18462 2249 1 3 . 1 1 600 600 LEU CB C 600 41.419 41.419 41.675 -0.256 18462 2250 1 3 . 1 1 600 600 LEU H H 600 7.299 7.299 7.745 -0.446 18462 2251 1 3 . 1 1 601 601 SER N N 601 114.419 114.419 113.199 1.220 18462 2252 1 3 . 1 1 601 601 SER HA H 601 4.418 4.418 4.424 -0.006 18462 2253 1 3 . 1 1 601 601 SER C C 601 177.754 177.754 174.114 3.640 18462 2254 1 3 . 1 1 601 601 SER CA C 601 58.054 58.054 59.562 -1.508 18462 2255 1 3 . 1 1 601 601 SER CB C 601 63.212 63.212 63.735 -0.523 18462 2256 1 3 . 1 1 601 601 SER H H 601 7.896 7.896 8.162 -0.266 18462 2257 1 3 . 1 1 602 602 ASP N N 602 122.293 122.293 119.244 3.049 18462 2258 1 3 . 1 1 602 602 ASP HA H 602 4.651 4.651 4.792 -0.141 18462 2259 1 3 . 1 1 602 602 ASP C C 602 174.087 174.087 174.524 -0.437 18462 2260 1 3 . 1 1 602 602 ASP CA C 602 53.845 53.845 53.041 0.804 18462 2261 1 3 . 1 1 602 602 ASP CB C 602 40.481 40.481 42.846 -2.365 18462 2262 1 3 . 1 1 602 602 ASP H H 602 8.257 8.257 7.489 0.768 18462 2263 1 3 . 1 1 603 603 ARG N N 603 121.398 121.398 121.760 -0.362 18462 2264 1 3 . 1 1 603 603 ARG HA H 603 4.454 4.454 4.203 0.251 18462 2265 1 3 . 1 1 603 603 ARG C C 603 176.111 176.111 176.627 -0.516 18462 2266 1 3 . 1 1 603 603 ARG CA C 603 55.241 55.241 56.706 -1.465 18462 2267 1 3 . 1 1 603 603 ARG CB C 603 30.164 30.164 30.755 -0.591 18462 2268 1 3 . 1 1 603 603 ARG H H 603 8.234 8.234 8.473 -0.239 18462 2269 1 4 . 1 1 473 473 ASN HA H 473 4.815 4.815 5.156 -0.341 18462 2270 1 4 . 1 1 473 473 ASN CA C 473 52.204 52.204 52.713 -0.509 18462 2271 1 4 . 1 1 473 473 ASN CB C 473 38.371 38.371 40.456 -2.085 18462 2272 1 4 . 1 1 474 474 LYS N N 474 122.150 122.150 125.290 -3.140 18462 2273 1 4 . 1 1 474 474 LYS HA H 474 4.375 4.375 4.500 -0.125 18462 2274 1 4 . 1 1 474 474 LYS C C 474 174.965 174.965 175.090 -0.125 18462 2275 1 4 . 1 1 474 474 LYS CA C 474 55.944 55.944 56.821 -0.877 18462 2276 1 4 . 1 1 474 474 LYS CB C 474 32.405 32.405 33.036 -0.631 18462 2277 1 4 . 1 1 474 474 LYS H H 474 8.586 8.586 8.472 0.114 18462 2278 1 4 . 1 1 475 475 ARG N N 475 122.278 122.278 123.237 -0.959 18462 2279 1 4 . 1 1 475 475 ARG HA H 475 4.374 4.374 4.253 0.121 18462 2280 1 4 . 1 1 475 475 ARG C C 475 176.695 176.695 176.054 0.641 18462 2281 1 4 . 1 1 475 475 ARG CA C 475 55.944 55.944 56.830 -0.886 18462 2282 1 4 . 1 1 475 475 ARG CB C 475 30.164 30.164 30.051 0.113 18462 2283 1 4 . 1 1 475 475 ARG H H 475 8.662 8.662 8.671 -0.009 18462 2284 1 4 . 1 1 476 476 MET N N 476 122.046 122.046 124.379 -2.333 18462 2285 1 4 . 1 1 476 476 MET HA H 476 4.496 4.496 4.676 -0.180 18462 2286 1 4 . 1 1 476 476 MET C C 476 176.359 176.359 174.552 1.807 18462 2287 1 4 . 1 1 476 476 MET CA C 476 54.537 54.537 55.797 -1.260 18462 2288 1 4 . 1 1 476 476 MET CB C 476 32.509 32.509 33.248 -0.739 18462 2289 1 4 . 1 1 476 476 MET H H 476 8.490 8.490 8.533 -0.043 18462 2290 1 4 . 1 1 477 477 LYS N N 477 123.768 123.768 123.052 0.716 18462 2291 1 4 . 1 1 477 477 LYS HA H 477 4.384 4.384 4.503 -0.119 18462 2292 1 4 . 1 1 477 477 LYS C C 477 176.015 176.015 174.710 1.305 18462 2293 1 4 . 1 1 477 477 LYS CA C 477 55.834 55.834 55.808 0.026 18462 2294 1 4 . 1 1 477 477 LYS CB C 477 32.107 32.107 33.736 -1.629 18462 2295 1 4 . 1 1 477 477 LYS H H 477 8.472 8.472 8.192 0.280 18462 2296 1 4 . 1 1 478 478 VAL N N 478 122.460 122.460 120.255 2.205 18462 2297 1 4 . 1 1 478 478 VAL HA H 478 4.054 4.054 3.971 0.083 18462 2298 1 4 . 1 1 478 478 VAL C C 478 176.320 176.320 174.372 1.948 18462 2299 1 4 . 1 1 478 478 VAL CA C 478 61.337 61.337 62.768 -1.431 18462 2300 1 4 . 1 1 478 478 VAL CB C 478 32.275 32.275 31.988 0.287 18462 2301 1 4 . 1 1 478 478 VAL H H 478 8.230 8.230 7.673 0.557 18462 2302 1 4 . 1 1 479 479 LYS N N 479 126.119 126.119 127.589 -1.470 18462 2303 1 4 . 1 1 479 479 LYS HA H 479 4.365 4.365 4.385 -0.020 18462 2304 1 4 . 1 1 479 479 LYS C C 479 175.605 175.605 175.191 0.414 18462 2305 1 4 . 1 1 479 479 LYS CA C 479 55.006 55.006 56.699 -1.693 18462 2306 1 4 . 1 1 479 479 LYS CB C 479 32.098 32.098 32.648 -0.550 18462 2307 1 4 . 1 1 479 479 LYS H H 479 8.453 8.453 8.128 0.325 18462 2308 1 4 . 1 1 480 480 HIS N N 480 121.065 121.065 118.143 2.922 18462 2309 1 4 . 1 1 480 480 HIS HA H 480 4.713 4.713 5.121 -0.408 18462 2310 1 4 . 1 1 480 480 HIS C C 480 175.937 175.937 173.948 1.989 18462 2311 1 4 . 1 1 480 480 HIS CA C 480 54.537 54.537 54.696 -0.159 18462 2312 1 4 . 1 1 480 480 HIS CB C 480 30.047 30.047 29.122 0.925 18462 2313 1 4 . 1 1 480 480 HIS H H 480 8.559 8.559 7.941 0.618 18462 2314 1 4 . 1 1 481 481 ASP HA H 481 4.392 4.392 4.773 -0.381 18462 2315 1 4 . 1 1 481 481 ASP C C 481 174.413 174.413 175.277 -0.864 18462 2316 1 4 . 1 1 481 481 ASP CA C 481 52.907 52.907 54.766 -1.859 18462 2317 1 4 . 1 1 481 481 ASP CB C 481 39.543 39.543 41.672 -2.129 18462 2318 1 4 . 1 1 482 482 ASP N N 482 118.362 118.362 117.345 1.017 18462 2319 1 4 . 1 1 482 482 ASP HA H 482 4.710 4.710 4.604 0.106 18462 2320 1 4 . 1 1 482 482 ASP C C 482 175.104 175.104 174.791 0.313 18462 2321 1 4 . 1 1 482 482 ASP CA C 482 53.376 53.376 53.222 0.154 18462 2322 1 4 . 1 1 482 482 ASP CB C 482 39.308 39.308 40.541 -1.233 18462 2323 1 4 . 1 1 482 482 ASP H H 482 8.216 8.216 8.502 -0.286 18462 2324 1 4 . 1 1 483 483 HIS N N 483 113.578 113.578 113.359 0.219 18462 2325 1 4 . 1 1 483 483 HIS HA H 483 5.886 5.886 5.424 0.462 18462 2326 1 4 . 1 1 483 483 HIS C C 483 175.274 175.274 172.711 2.563 18462 2327 1 4 . 1 1 483 483 HIS CA C 483 55.241 55.241 55.436 -0.195 18462 2328 1 4 . 1 1 483 483 HIS CB C 483 32.040 32.040 31.898 0.142 18462 2329 1 4 . 1 1 483 483 HIS H H 483 7.692 7.692 7.202 0.490 18462 2330 1 4 . 1 1 484 484 TYR N N 484 116.271 116.271 114.860 1.411 18462 2331 1 4 . 1 1 484 484 TYR HA H 484 5.003 5.003 4.965 0.038 18462 2332 1 4 . 1 1 484 484 TYR C C 484 180.038 180.038 173.938 6.100 18462 2333 1 4 . 1 1 484 484 TYR CA C 484 55.241 55.241 55.956 -0.715 18462 2334 1 4 . 1 1 484 484 TYR CB C 484 39.777 39.777 40.603 -0.826 18462 2335 1 4 . 1 1 484 484 TYR H H 484 8.493 8.493 8.577 -0.084 18462 2336 1 4 . 1 1 485 485 GLU N N 485 120.840 120.840 121.172 -0.332 18462 2337 1 4 . 1 1 485 485 GLU HA H 485 5.301 5.301 4.805 0.496 18462 2338 1 4 . 1 1 485 485 GLU C C 485 174.101 174.101 175.420 -1.319 18462 2339 1 4 . 1 1 485 485 GLU CA C 485 54.772 54.772 55.730 -0.958 18462 2340 1 4 . 1 1 485 485 GLU CB C 485 31.337 31.337 31.088 0.249 18462 2341 1 4 . 1 1 485 485 GLU H H 485 8.873 8.873 8.758 0.115 18462 2342 1 4 . 1 1 486 486 LEU N N 486 125.807 125.807 127.857 -2.050 18462 2343 1 4 . 1 1 486 486 LEU HA H 486 4.762 4.762 4.849 -0.087 18462 2344 1 4 . 1 1 486 486 LEU C C 486 175.613 175.613 174.861 0.752 18462 2345 1 4 . 1 1 486 486 LEU CA C 486 53.645 53.645 53.941 -0.296 18462 2346 1 4 . 1 1 486 486 LEU CB C 486 45.873 45.873 44.736 1.137 18462 2347 1 4 . 1 1 486 486 LEU H H 486 8.957 8.957 8.877 0.080 18462 2348 1 4 . 1 1 487 487 ILE N N 487 125.332 125.332 127.968 -2.636 18462 2349 1 4 . 1 1 487 487 ILE HA H 487 5.007 5.007 4.502 0.505 18462 2350 1 4 . 1 1 487 487 ILE C C 487 174.543 174.543 175.581 -1.038 18462 2351 1 4 . 1 1 487 487 ILE CA C 487 59.695 59.695 61.216 -1.521 18462 2352 1 4 . 1 1 487 487 ILE CB C 487 37.433 37.433 38.286 -0.853 18462 2353 1 4 . 1 1 487 487 ILE H H 487 8.549 8.549 8.546 0.003 18462 2354 1 4 . 1 1 488 488 VAL N N 488 129.307 129.307 127.861 1.446 18462 2355 1 4 . 1 1 488 488 VAL HA H 488 4.304 4.304 4.169 0.135 18462 2356 1 4 . 1 1 488 488 VAL C C 488 176.678 176.678 175.220 1.458 18462 2357 1 4 . 1 1 488 488 VAL CA C 488 60.868 60.868 60.831 0.037 18462 2358 1 4 . 1 1 488 488 VAL CB C 488 33.681 33.681 34.947 -1.266 18462 2359 1 4 . 1 1 488 488 VAL H H 488 9.456 9.456 8.564 0.892 18462 2360 1 4 . 1 1 489 489 ASP N N 489 128.884 128.884 127.245 1.639 18462 2361 1 4 . 1 1 489 489 ASP HA H 489 4.301 4.301 4.250 0.051 18462 2362 1 4 . 1 1 489 489 ASP C C 489 176.084 176.084 177.095 -1.011 18462 2363 1 4 . 1 1 489 489 ASP CA C 489 54.537 54.537 54.728 -0.191 18462 2364 1 4 . 1 1 489 489 ASP CB C 489 39.074 39.074 40.451 -1.377 18462 2365 1 4 . 1 1 489 489 ASP H H 489 9.144 9.144 9.093 0.051 18462 2366 1 4 . 1 1 490 490 GLY N N 490 102.410 102.410 102.322 0.088 18462 2367 1 4 . 1 1 490 490 GLY C C 490 175.998 175.998 173.965 2.033 18462 2368 1 4 . 1 1 490 490 GLY CA C 490 44.818 44.818 45.452 -0.634 18462 2369 1 4 . 1 1 490 490 GLY H H 490 8.210 8.210 8.330 -0.120 18462 2370 1 4 . 1 1 491 491 ARG N N 491 122.605 122.605 120.538 2.067 18462 2371 1 4 . 1 1 491 491 ARG HA H 491 4.597 4.597 4.618 -0.021 18462 2372 1 4 . 1 1 491 491 ARG C C 491 173.256 173.256 175.088 -1.832 18462 2373 1 4 . 1 1 491 491 ARG CA C 491 53.610 53.610 54.333 -0.723 18462 2374 1 4 . 1 1 491 491 ARG CB C 491 32.040 32.040 31.877 0.163 18462 2375 1 4 . 1 1 491 491 ARG H H 491 7.938 7.938 7.836 0.102 18462 2376 1 4 . 1 1 492 492 VAL N N 492 123.769 123.769 123.986 -0.217 18462 2377 1 4 . 1 1 492 492 VAL HA H 492 4.128 4.128 3.803 0.325 18462 2378 1 4 . 1 1 492 492 VAL C C 492 173.470 173.470 174.844 -1.374 18462 2379 1 4 . 1 1 492 492 VAL CA C 492 62.210 62.210 62.302 -0.092 18462 2380 1 4 . 1 1 492 492 VAL CB C 492 32.040 32.040 31.566 0.474 18462 2381 1 4 . 1 1 492 492 VAL H H 492 8.157 8.157 8.644 -0.487 18462 2382 1 4 . 1 1 493 493 TYR N N 493 124.842 124.842 126.924 -2.082 18462 2383 1 4 . 1 1 493 493 TYR HA H 493 4.632 4.632 4.817 -0.185 18462 2384 1 4 . 1 1 493 493 TYR C C 493 174.288 174.288 175.532 -1.244 18462 2385 1 4 . 1 1 493 493 TYR CA C 493 56.308 56.308 53.914 2.394 18462 2386 1 4 . 1 1 493 493 TYR CB C 493 40.481 40.481 38.513 1.968 18462 2387 1 4 . 1 1 493 493 TYR H H 493 8.981 8.981 8.743 0.238 18462 2388 1 4 . 1 1 494 494 TYR N N 494 120.511 120.511 123.705 -3.194 18462 2389 1 4 . 1 1 494 494 TYR HA H 494 4.763 4.763 4.966 -0.203 18462 2390 1 4 . 1 1 494 494 TYR C C 494 173.811 173.811 175.965 -2.154 18462 2391 1 4 . 1 1 494 494 TYR CA C 494 56.764 56.764 57.919 -1.155 18462 2392 1 4 . 1 1 494 494 TYR CB C 494 38.722 38.722 37.637 1.085 18462 2393 1 4 . 1 1 494 494 TYR H H 494 9.235 9.235 8.627 0.608 18462 2394 1 4 . 1 1 495 495 ILE N N 495 124.930 124.930 123.619 1.311 18462 2395 1 4 . 1 1 495 495 ILE HA H 495 4.780 4.780 4.724 0.056 18462 2396 1 4 . 1 1 495 495 ILE C C 495 174.764 174.764 175.700 -0.936 18462 2397 1 4 . 1 1 495 495 ILE CA C 495 57.714 57.714 59.478 -1.764 18462 2398 1 4 . 1 1 495 495 ILE CB C 495 36.729 36.729 40.047 -3.318 18462 2399 1 4 . 1 1 495 495 ILE H H 495 9.136 9.136 9.099 0.037 18462 2400 1 4 . 1 1 496 496 CYS N N 496 127.535 127.535 127.761 -0.226 18462 2401 1 4 . 1 1 496 496 CYS HA H 496 4.745 4.745 4.955 -0.210 18462 2402 1 4 . 1 1 496 496 CYS C C 496 176.128 176.128 177.009 -0.881 18462 2403 1 4 . 1 1 496 496 CYS CA C 496 60.574 60.574 58.803 1.771 18462 2404 1 4 . 1 1 496 496 CYS CB C 496 29.227 29.227 28.078 1.149 18462 2405 1 4 . 1 1 496 496 CYS H H 496 9.016 9.016 8.684 0.332 18462 2406 1 4 . 1 1 497 497 ILE N N 497 129.645 129.645 125.963 3.682 18462 2407 1 4 . 1 1 497 497 ILE HA H 497 4.176 4.176 4.227 -0.051 18462 2408 1 4 . 1 1 497 497 ILE C C 497 177.925 177.925 176.599 1.326 18462 2409 1 4 . 1 1 497 497 ILE CA C 497 63.447 63.447 64.211 -0.764 18462 2410 1 4 . 1 1 497 497 ILE CB C 497 39.543 39.543 37.919 1.623 18462 2411 1 4 . 1 1 497 497 ILE H H 497 8.295 8.295 8.178 0.117 18462 2412 1 4 . 1 1 498 498 VAL N N 498 123.791 123.791 120.393 3.398 18462 2413 1 4 . 1 1 498 498 VAL HA H 498 3.939 3.939 3.800 0.139 18462 2414 1 4 . 1 1 498 498 VAL C C 498 176.127 176.127 177.545 -1.418 18462 2415 1 4 . 1 1 498 498 VAL CA C 498 64.619 64.619 65.442 -0.823 18462 2416 1 4 . 1 1 498 498 VAL CB C 498 32.275 32.275 31.668 0.607 18462 2417 1 4 . 1 1 498 498 VAL H H 498 8.993 8.993 8.091 0.902 18462 2418 1 4 . 1 1 499 499 CYS N N 499 117.267 117.267 112.172 5.095 18462 2419 1 4 . 1 1 499 499 CYS HA H 499 5.157 5.157 4.858 0.299 18462 2420 1 4 . 1 1 499 499 CYS C C 499 177.106 177.106 174.925 2.181 18462 2421 1 4 . 1 1 499 499 CYS CA C 499 57.820 57.820 57.726 0.094 18462 2422 1 4 . 1 1 499 499 CYS CB C 499 31.571 31.571 29.221 2.350 18462 2423 1 4 . 1 1 499 499 CYS H H 499 8.307 8.307 7.920 0.387 18462 2424 1 4 . 1 1 500 500 LYS N N 500 117.950 117.950 118.780 -0.830 18462 2425 1 4 . 1 1 500 500 LYS HA H 500 4.306 4.306 4.065 0.241 18462 2426 1 4 . 1 1 500 500 LYS C C 500 175.869 175.869 175.458 0.411 18462 2427 1 4 . 1 1 500 500 LYS CA C 500 57.585 57.585 57.251 0.334 18462 2428 1 4 . 1 1 500 500 LYS CB C 500 28.289 28.289 29.660 -1.371 18462 2429 1 4 . 1 1 500 500 LYS H H 500 8.169 8.169 8.248 -0.079 18462 2430 1 4 . 1 1 501 501 ARG N N 501 121.270 121.270 119.718 1.552 18462 2431 1 4 . 1 1 501 501 ARG HA H 501 4.090 4.090 4.193 -0.103 18462 2432 1 4 . 1 1 501 501 ARG C C 501 175.587 175.587 175.717 -0.130 18462 2433 1 4 . 1 1 501 501 ARG CA C 501 58.289 58.289 55.873 2.416 18462 2434 1 4 . 1 1 501 501 ARG CB C 501 29.694 29.694 31.206 -1.512 18462 2435 1 4 . 1 1 501 501 ARG H H 501 8.071 8.071 7.751 0.320 18462 2436 1 4 . 1 1 502 502 SER N N 502 112.997 112.997 117.709 -4.712 18462 2437 1 4 . 1 1 502 502 SER HA H 502 5.003 5.003 4.651 0.352 18462 2438 1 4 . 1 1 502 502 SER C C 502 174.417 174.417 173.165 1.252 18462 2439 1 4 . 1 1 502 502 SER CA C 502 55.475 55.475 57.278 -1.803 18462 2440 1 4 . 1 1 502 502 SER CB C 502 65.088 65.088 64.335 0.753 18462 2441 1 4 . 1 1 502 502 SER H H 502 7.553 7.553 8.238 -0.685 18462 2442 1 4 . 1 1 503 503 TYR N N 503 121.115 121.115 122.251 -1.136 18462 2443 1 4 . 1 1 503 503 TYR HA H 503 4.996 4.996 4.728 0.268 18462 2444 1 4 . 1 1 503 503 TYR C C 503 173.707 173.707 175.317 -1.610 18462 2445 1 4 . 1 1 503 503 TYR CA C 503 57.585 57.585 58.058 -0.473 18462 2446 1 4 . 1 1 503 503 TYR CB C 503 42.244 42.244 41.727 0.517 18462 2447 1 4 . 1 1 503 503 TYR H H 503 8.958 8.958 8.418 0.540 18462 2448 1 4 . 1 1 504 504 VAL N N 504 119.390 119.390 120.345 -0.955 18462 2449 1 4 . 1 1 504 504 VAL HA H 504 4.376 4.376 4.092 0.284 18462 2450 1 4 . 1 1 504 504 VAL C C 504 176.390 176.390 175.927 0.463 18462 2451 1 4 . 1 1 504 504 VAL CA C 504 62.275 62.275 63.835 -1.560 18462 2452 1 4 . 1 1 504 504 VAL CB C 504 33.025 33.025 32.617 0.408 18462 2453 1 4 . 1 1 504 504 VAL H H 504 9.988 9.988 8.611 1.377 18462 2454 1 4 . 1 1 505 505 CYS N N 505 113.800 113.800 116.318 -2.518 18462 2455 1 4 . 1 1 505 505 CYS HA H 505 4.998 4.998 4.768 0.230 18462 2456 1 4 . 1 1 505 505 CYS C C 505 176.603 176.603 175.100 1.503 18462 2457 1 4 . 1 1 505 505 CYS CA C 505 56.647 56.647 57.497 -0.850 18462 2458 1 4 . 1 1 505 505 CYS CB C 505 38.406 38.406 31.544 6.862 18462 2459 1 4 . 1 1 505 505 CYS H H 505 7.518 7.518 7.864 -0.346 18462 2460 1 4 . 1 1 506 506 LEU N N 506 129.535 129.535 124.972 4.563 18462 2461 1 4 . 1 1 506 506 LEU HA H 506 3.325 3.325 3.568 -0.243 18462 2462 1 4 . 1 1 506 506 LEU C C 506 174.727 174.727 178.132 -3.405 18462 2463 1 4 . 1 1 506 506 LEU CA C 506 56.647 56.647 58.078 -1.431 18462 2464 1 4 . 1 1 506 506 LEU CB C 506 39.308 39.308 41.289 -1.981 18462 2465 1 4 . 1 1 506 506 LEU H H 506 8.602 8.602 8.832 -0.230 18462 2466 1 4 . 1 1 507 507 THR N N 507 108.833 108.833 109.663 -0.830 18462 2467 1 4 . 1 1 507 507 THR HA H 507 3.820 3.820 3.833 -0.013 18462 2468 1 4 . 1 1 507 507 THR C C 507 178.905 178.905 177.014 1.891 18462 2469 1 4 . 1 1 507 507 THR CA C 507 64.150 64.150 65.761 -1.611 18462 2470 1 4 . 1 1 507 507 THR CB C 507 66.260 66.260 68.055 -1.795 18462 2471 1 4 . 1 1 507 507 THR H H 507 8.087 8.087 8.146 -0.059 18462 2472 1 4 . 1 1 508 508 SER N N 508 119.009 119.009 117.890 1.119 18462 2473 1 4 . 1 1 508 508 SER HA H 508 4.123 4.123 4.098 0.025 18462 2474 1 4 . 1 1 508 508 SER C C 508 178.467 178.467 176.104 2.363 18462 2475 1 4 . 1 1 508 508 SER CA C 508 59.461 59.461 60.838 -1.377 18462 2476 1 4 . 1 1 508 508 SER CB C 508 62.978 62.978 62.974 0.005 18462 2477 1 4 . 1 1 508 508 SER H H 508 7.230 7.230 7.566 -0.336 18462 2478 1 4 . 1 1 509 509 LEU N N 509 127.365 127.365 123.522 3.843 18462 2479 1 4 . 1 1 509 509 LEU HA H 509 3.216 3.216 3.484 -0.268 18462 2480 1 4 . 1 1 509 509 LEU C C 509 176.740 176.740 177.809 -1.069 18462 2481 1 4 . 1 1 509 509 LEU CA C 509 57.351 57.351 57.865 -0.514 18462 2482 1 4 . 1 1 509 509 LEU CB C 509 39.074 39.074 41.750 -2.676 18462 2483 1 4 . 1 1 509 509 LEU H H 509 7.114 7.114 7.589 -0.475 18462 2484 1 4 . 1 1 510 510 ARG N N 510 119.955 119.955 118.146 1.809 18462 2485 1 4 . 1 1 510 510 ARG HA H 510 3.843 3.843 3.929 -0.086 18462 2486 1 4 . 1 1 510 510 ARG C C 510 178.472 178.472 178.906 -0.434 18462 2487 1 4 . 1 1 510 510 ARG CA C 510 61.766 61.766 57.819 3.947 18462 2488 1 4 . 1 1 510 510 ARG CB C 510 28.992 28.992 28.793 0.200 18462 2489 1 4 . 1 1 510 510 ARG H H 510 8.100 8.100 8.551 -0.451 18462 2490 1 4 . 1 1 511 511 ARG N N 511 120.947 120.947 118.885 2.062 18462 2491 1 4 . 1 1 511 511 ARG HA H 511 4.078 4.078 3.868 0.210 18462 2492 1 4 . 1 1 511 511 ARG C C 511 178.262 178.262 177.773 0.489 18462 2493 1 4 . 1 1 511 511 ARG CA C 511 59.054 59.054 59.213 -0.159 18462 2494 1 4 . 1 1 511 511 ARG CB C 511 29.695 29.695 29.884 -0.189 18462 2495 1 4 . 1 1 511 511 ARG H H 511 7.802 7.802 7.568 0.234 18462 2496 1 4 . 1 1 512 512 HIS N N 512 116.820 116.820 117.928 -1.108 18462 2497 1 4 . 1 1 512 512 HIS HA H 512 4.219 4.219 4.225 -0.006 18462 2498 1 4 . 1 1 512 512 HIS C C 512 178.069 178.069 177.345 0.724 18462 2499 1 4 . 1 1 512 512 HIS CA C 512 57.507 57.507 58.680 -1.173 18462 2500 1 4 . 1 1 512 512 HIS CB C 512 27.390 27.390 29.960 -2.570 18462 2501 1 4 . 1 1 512 512 HIS H H 512 7.809 7.809 7.649 0.160 18462 2502 1 4 . 1 1 513 513 PHE N N 513 118.415 118.415 120.519 -2.104 18462 2503 1 4 . 1 1 513 513 PHE HA H 513 3.620 3.620 3.934 -0.314 18462 2504 1 4 . 1 1 513 513 PHE C C 513 176.026 176.026 176.580 -0.554 18462 2505 1 4 . 1 1 513 513 PHE CA C 513 61.102 61.102 61.437 -0.335 18462 2506 1 4 . 1 1 513 513 PHE CB C 513 38.996 38.996 38.995 0.001 18462 2507 1 4 . 1 1 513 513 PHE H H 513 8.898 8.898 8.833 0.065 18462 2508 1 4 . 1 1 514 514 ASN N N 514 114.080 114.080 118.985 -4.905 18462 2509 1 4 . 1 1 514 514 ASN HA H 514 4.988 4.988 4.351 0.637 18462 2510 1 4 . 1 1 514 514 ASN C C 514 176.236 176.236 177.248 -1.012 18462 2511 1 4 . 1 1 514 514 ASN CA C 514 55.006 55.006 55.796 -0.790 18462 2512 1 4 . 1 1 514 514 ASN CB C 514 40.129 40.129 38.509 1.620 18462 2513 1 4 . 1 1 514 514 ASN H H 514 8.678 8.678 7.679 0.999 18462 2514 1 4 . 1 1 515 515 ILE N N 515 114.035 114.035 118.155 -4.120 18462 2515 1 4 . 1 1 515 515 ILE HA H 515 2.997 2.997 3.195 -0.198 18462 2516 1 4 . 1 1 515 515 ILE C C 515 176.292 176.292 175.939 0.353 18462 2517 1 4 . 1 1 515 515 ILE CA C 515 63.447 63.447 63.514 -0.067 18462 2518 1 4 . 1 1 515 515 ILE CB C 515 37.198 37.198 37.443 -0.245 18462 2519 1 4 . 1 1 515 515 ILE H H 515 7.919 7.919 7.786 0.133 18462 2520 1 4 . 1 1 516 516 HIS N N 516 113.136 113.136 117.500 -4.364 18462 2521 1 4 . 1 1 516 516 HIS HA H 516 4.767 4.767 4.604 0.163 18462 2522 1 4 . 1 1 516 516 HIS C C 516 175.870 175.870 177.225 -1.355 18462 2523 1 4 . 1 1 516 516 HIS CA C 516 54.542 54.542 58.128 -3.586 18462 2524 1 4 . 1 1 516 516 HIS CB C 516 27.585 27.585 30.203 -2.618 18462 2525 1 4 . 1 1 516 516 HIS H H 516 7.170 7.170 7.542 -0.372 18462 2526 1 4 . 1 1 517 517 SER N N 517 112.852 112.852 114.287 -1.435 18462 2527 1 4 . 1 1 517 517 SER HA H 517 4.359 4.359 4.365 -0.006 18462 2528 1 4 . 1 1 517 517 SER C C 517 177.067 177.067 175.475 1.592 18462 2529 1 4 . 1 1 517 517 SER CA C 517 58.758 58.758 59.623 -0.865 18462 2530 1 4 . 1 1 517 517 SER CB C 517 63.447 63.447 64.320 -0.873 18462 2531 1 4 . 1 1 517 517 SER H H 517 7.886 7.886 7.848 0.038 18462 2532 1 4 . 1 1 518 518 TRP N N 518 122.824 122.824 120.169 2.655 18462 2533 1 4 . 1 1 518 518 TRP HA H 518 4.005 4.005 4.439 -0.434 18462 2534 1 4 . 1 1 518 518 TRP C C 518 175.133 175.133 176.444 -1.311 18462 2535 1 4 . 1 1 518 518 TRP CA C 518 57.820 57.820 58.730 -0.910 18462 2536 1 4 . 1 1 518 518 TRP CB C 518 25.710 25.710 26.553 -0.843 18462 2537 1 4 . 1 1 518 518 TRP H H 518 9.274 9.274 7.694 1.580 18462 2538 1 4 . 1 1 519 519 GLU N N 519 119.673 119.673 114.864 4.809 18462 2539 1 4 . 1 1 519 519 GLU HA H 519 4.042 4.042 4.133 -0.091 18462 2540 1 4 . 1 1 519 519 GLU C C 519 175.353 175.353 176.566 -1.213 18462 2541 1 4 . 1 1 519 519 GLU CA C 519 58.758 58.758 58.050 0.708 18462 2542 1 4 . 1 1 519 519 GLU CB C 519 29.695 29.695 30.109 -0.414 18462 2543 1 4 . 1 1 519 519 GLU H H 519 7.828 7.828 7.948 -0.120 18462 2544 1 4 . 1 1 520 520 LYS N N 520 118.358 118.358 119.504 -1.146 18462 2545 1 4 . 1 1 520 520 LYS HA H 520 4.544 4.544 4.401 0.143 18462 2546 1 4 . 1 1 520 520 LYS C C 520 178.036 178.036 174.547 3.489 18462 2547 1 4 . 1 1 520 520 LYS CA C 520 53.845 53.845 54.836 -0.991 18462 2548 1 4 . 1 1 520 520 LYS CB C 520 34.385 34.385 34.255 0.130 18462 2549 1 4 . 1 1 520 520 LYS H H 520 9.085 9.085 7.983 1.102 18462 2550 1 4 . 1 1 521 521 LYS N N 521 118.859 118.859 123.535 -4.676 18462 2551 1 4 . 1 1 521 521 LYS HA H 521 4.658 4.658 4.406 0.252 18462 2552 1 4 . 1 1 521 521 LYS C C 521 175.168 175.168 175.777 -0.609 18462 2553 1 4 . 1 1 521 521 LYS CA C 521 54.537 54.537 55.798 -1.261 18462 2554 1 4 . 1 1 521 521 LYS CB C 521 35.323 35.323 33.875 1.448 18462 2555 1 4 . 1 1 521 521 LYS H H 521 8.238 8.238 8.282 -0.044 18462 2556 1 4 . 1 1 522 522 TYR N N 522 117.305 117.305 122.333 -5.028 18462 2557 1 4 . 1 1 522 522 TYR HA H 522 5.028 5.028 4.943 0.085 18462 2558 1 4 . 1 1 522 522 TYR C C 522 175.016 175.016 173.960 1.056 18462 2559 1 4 . 1 1 522 522 TYR CA C 522 54.537 54.537 55.134 -0.597 18462 2560 1 4 . 1 1 522 522 TYR CB C 522 37.198 37.198 38.393 -1.195 18462 2561 1 4 . 1 1 522 522 TYR H H 522 7.788 7.788 8.783 -0.995 18462 2562 1 4 . 1 1 523 523 PRO HA H 523 5.026 5.026 4.916 0.110 18462 2563 1 4 . 1 1 523 523 PRO CA C 523 61.806 61.806 62.404 -0.598 18462 2564 1 4 . 1 1 523 523 PRO CB C 523 31.839 31.839 32.539 -0.700 18462 2565 1 4 . 1 1 524 524 CYS N N 524 126.569 126.569 122.069 4.500 18462 2566 1 4 . 1 1 524 524 CYS HA H 524 4.739 4.739 4.896 -0.157 18462 2567 1 4 . 1 1 524 524 CYS C C 524 176.841 176.841 176.293 0.548 18462 2568 1 4 . 1 1 524 524 CYS CA C 524 60.290 60.290 57.828 2.462 18462 2569 1 4 . 1 1 524 524 CYS CB C 524 29.344 29.344 29.270 0.074 18462 2570 1 4 . 1 1 524 524 CYS H H 524 9.210 9.210 8.602 0.608 18462 2571 1 4 . 1 1 525 525 ARG N N 525 130.294 130.294 120.864 9.430 18462 2572 1 4 . 1 1 525 525 ARG HA H 525 4.285 4.285 4.355 -0.070 18462 2573 1 4 . 1 1 525 525 ARG C C 525 176.390 176.390 176.789 -0.399 18462 2574 1 4 . 1 1 525 525 ARG CA C 525 58.043 58.043 57.712 0.330 18462 2575 1 4 . 1 1 525 525 ARG CB C 525 27.576 27.576 30.250 -2.674 18462 2576 1 4 . 1 1 525 525 ARG H H 525 9.724 9.724 8.662 1.062 18462 2577 1 4 . 1 1 526 526 TYR N N 526 122.622 122.622 119.256 3.366 18462 2578 1 4 . 1 1 526 526 TYR HA H 526 4.517 4.517 4.362 0.155 18462 2579 1 4 . 1 1 526 526 TYR C C 526 176.659 176.659 175.860 0.799 18462 2580 1 4 . 1 1 526 526 TYR CA C 526 58.054 58.054 58.169 -0.115 18462 2581 1 4 . 1 1 526 526 TYR CB C 526 37.628 37.628 37.927 -0.299 18462 2582 1 4 . 1 1 526 526 TYR H H 526 10.439 10.439 8.131 2.308 18462 2583 1 4 . 1 1 527 527 CYS N N 527 122.873 122.873 115.541 7.332 18462 2584 1 4 . 1 1 527 527 CYS HA H 527 5.153 5.153 4.933 0.220 18462 2585 1 4 . 1 1 527 527 CYS C C 527 175.243 175.243 174.435 0.808 18462 2586 1 4 . 1 1 527 527 CYS CA C 527 58.148 58.148 56.161 1.987 18462 2587 1 4 . 1 1 527 527 CYS CB C 527 30.164 30.164 31.318 -1.154 18462 2588 1 4 . 1 1 527 527 CYS H H 527 8.462 8.462 7.507 0.955 18462 2589 1 4 . 1 1 528 528 GLU N N 528 115.906 115.906 118.037 -2.131 18462 2590 1 4 . 1 1 528 528 GLU HA H 528 4.453 4.453 4.329 0.124 18462 2591 1 4 . 1 1 528 528 GLU C C 528 173.484 173.484 176.445 -2.961 18462 2592 1 4 . 1 1 528 528 GLU CA C 528 57.390 57.390 56.256 1.134 18462 2593 1 4 . 1 1 528 528 GLU CB C 528 29.608 29.608 28.838 0.770 18462 2594 1 4 . 1 1 528 528 GLU H H 528 8.704 8.704 8.616 0.088 18462 2595 1 4 . 1 1 529 529 LYS N N 529 125.068 125.068 120.877 4.191 18462 2596 1 4 . 1 1 529 529 LYS HA H 529 4.041 4.041 4.288 -0.247 18462 2597 1 4 . 1 1 529 529 LYS C C 529 176.881 176.881 174.885 1.996 18462 2598 1 4 . 1 1 529 529 LYS CA C 529 57.585 57.585 56.281 1.304 18462 2599 1 4 . 1 1 529 529 LYS CB C 529 33.212 33.212 33.491 -0.279 18462 2600 1 4 . 1 1 529 529 LYS H H 529 8.696 8.696 7.588 1.108 18462 2601 1 4 . 1 1 530 530 VAL N N 530 119.525 119.525 120.297 -0.772 18462 2602 1 4 . 1 1 530 530 VAL HA H 530 4.541 4.541 4.430 0.111 18462 2603 1 4 . 1 1 530 530 VAL C C 530 175.118 175.118 175.328 -0.210 18462 2604 1 4 . 1 1 530 530 VAL CA C 530 60.633 60.633 61.512 -0.879 18462 2605 1 4 . 1 1 530 530 VAL CB C 530 34.150 34.150 34.343 -0.193 18462 2606 1 4 . 1 1 530 530 VAL H H 530 8.054 8.054 8.315 -0.261 18462 2607 1 4 . 1 1 531 531 PHE N N 531 122.568 122.568 125.508 -2.940 18462 2608 1 4 . 1 1 531 531 PHE C C 531 174.185 174.185 174.615 -0.430 18462 2609 1 4 . 1 1 531 531 PHE CA C 531 55.586 55.586 55.288 0.298 18462 2610 1 4 . 1 1 531 531 PHE CB C 531 41.184 41.184 40.791 0.393 18462 2611 1 4 . 1 1 531 531 PHE H H 531 8.167 8.167 8.830 -0.663 18462 2612 1 4 . 1 1 532 532 PRO HA H 532 4.359 4.359 4.060 0.299 18462 2613 1 4 . 1 1 532 532 PRO CA C 532 62.216 62.216 62.947 -0.731 18462 2614 1 4 . 1 1 532 532 PRO CB C 532 29.930 29.930 31.841 -1.911 18462 2615 1 4 . 1 1 533 533 LEU N N 533 122.335 122.335 117.872 4.463 18462 2616 1 4 . 1 1 533 533 LEU HA H 533 4.086 4.086 4.158 -0.072 18462 2617 1 4 . 1 1 533 533 LEU C C 533 175.091 175.091 176.580 -1.489 18462 2618 1 4 . 1 1 533 533 LEU CA C 533 55.006 55.006 52.987 2.019 18462 2619 1 4 . 1 1 533 533 LEU CB C 533 43.529 43.529 44.482 -0.953 18462 2620 1 4 . 1 1 533 533 LEU H H 533 6.587 6.587 7.436 -0.849 18462 2621 1 4 . 1 1 534 534 ALA N N 534 126.722 126.722 125.571 1.151 18462 2622 1 4 . 1 1 534 534 ALA HA H 534 2.993 2.993 3.384 -0.391 18462 2623 1 4 . 1 1 534 534 ALA C C 534 175.439 175.439 178.646 -3.207 18462 2624 1 4 . 1 1 534 534 ALA CA C 534 54.537 54.537 54.870 -0.333 18462 2625 1 4 . 1 1 534 534 ALA CB C 534 18.452 18.452 17.521 0.931 18462 2626 1 4 . 1 1 534 534 ALA H H 534 7.698 7.698 7.900 -0.202 18462 2627 1 4 . 1 1 535 535 GLU N N 535 119.354 119.354 117.996 1.358 18462 2628 1 4 . 1 1 535 535 GLU HA H 535 4.675 4.675 3.981 0.694 18462 2629 1 4 . 1 1 535 535 GLU C C 535 180.126 180.126 178.342 1.784 18462 2630 1 4 . 1 1 535 535 GLU CA C 535 58.526 58.526 59.148 -0.622 18462 2631 1 4 . 1 1 535 535 GLU H H 535 9.535 9.535 8.676 0.859 18462 2632 1 4 . 1 1 536 536 TYR N N 536 114.592 114.592 119.281 -4.689 18462 2633 1 4 . 1 1 536 536 TYR HA H 536 4.368 4.368 4.070 0.298 18462 2634 1 4 . 1 1 536 536 TYR C C 536 178.004 178.004 177.681 0.323 18462 2635 1 4 . 1 1 536 536 TYR CA C 536 56.179 56.179 58.408 -2.229 18462 2636 1 4 . 1 1 536 536 TYR CB C 536 35.556 35.556 37.017 -1.461 18462 2637 1 4 . 1 1 536 536 TYR H H 536 6.552 6.552 8.115 -1.563 18462 2638 1 4 . 1 1 537 537 ARG N N 537 119.820 119.820 119.244 0.576 18462 2639 1 4 . 1 1 537 537 ARG HA H 537 3.209 3.209 3.672 -0.463 18462 2640 1 4 . 1 1 537 537 ARG C C 537 179.469 179.469 178.279 1.190 18462 2641 1 4 . 1 1 537 537 ARG CA C 537 59.131 59.131 59.955 -0.824 18462 2642 1 4 . 1 1 537 537 ARG CB C 537 27.179 27.179 29.575 -2.396 18462 2643 1 4 . 1 1 537 537 ARG H H 537 7.016 7.016 7.636 -0.620 18462 2644 1 4 . 1 1 538 538 THR N N 538 120.080 120.080 117.181 2.899 18462 2645 1 4 . 1 1 538 538 THR HA H 538 3.939 3.939 4.082 -0.143 18462 2646 1 4 . 1 1 538 538 THR C C 538 177.538 177.538 176.602 0.936 18462 2647 1 4 . 1 1 538 538 THR CA C 538 66.026 66.026 67.086 -1.060 18462 2648 1 4 . 1 1 538 538 THR CB C 538 66.964 66.964 68.744 -1.780 18462 2649 1 4 . 1 1 538 538 THR H H 538 8.410 8.410 8.034 0.376 18462 2650 1 4 . 1 1 539 539 LYS N N 539 117.252 117.252 119.905 -2.653 18462 2651 1 4 . 1 1 539 539 LYS HA H 539 4.054 4.054 4.087 -0.033 18462 2652 1 4 . 1 1 539 539 LYS C C 539 176.139 176.139 179.028 -2.889 18462 2653 1 4 . 1 1 539 539 LYS CA C 539 57.116 57.116 58.455 -1.339 18462 2654 1 4 . 1 1 539 539 LYS CB C 539 31.859 31.859 31.784 0.075 18462 2655 1 4 . 1 1 539 539 LYS H H 539 8.012 8.012 8.238 -0.226 18462 2656 1 4 . 1 1 540 540 HIS N N 540 118.983 118.983 120.348 -1.365 18462 2657 1 4 . 1 1 540 540 HIS HA H 540 4.548 4.548 4.408 0.140 18462 2658 1 4 . 1 1 540 540 HIS C C 540 179.568 179.568 177.696 1.872 18462 2659 1 4 . 1 1 540 540 HIS CA C 540 58.758 58.758 59.523 -0.765 18462 2660 1 4 . 1 1 540 540 HIS CB C 540 28.260 28.260 29.979 -1.719 18462 2661 1 4 . 1 1 540 540 HIS H H 540 7.536 7.536 8.118 -0.582 18462 2662 1 4 . 1 1 541 541 GLU N N 541 122.073 122.073 119.866 2.207 18462 2663 1 4 . 1 1 541 541 GLU HA H 541 4.215 4.215 4.343 -0.128 18462 2664 1 4 . 1 1 541 541 GLU C C 541 177.829 177.829 178.964 -1.135 18462 2665 1 4 . 1 1 541 541 GLU CA C 541 61.181 61.181 59.333 1.848 18462 2666 1 4 . 1 1 541 541 GLU CB C 541 29.712 29.712 29.769 -0.057 18462 2667 1 4 . 1 1 541 541 GLU H H 541 9.540 9.540 8.328 1.212 18462 2668 1 4 . 1 1 542 542 ILE N N 542 121.307 121.307 119.890 1.417 18462 2669 1 4 . 1 1 542 542 ILE HA H 542 4.335 4.335 3.783 0.552 18462 2670 1 4 . 1 1 542 542 ILE C C 542 179.666 179.666 177.816 1.850 18462 2671 1 4 . 1 1 542 542 ILE CA C 542 61.806 61.806 65.449 -3.643 18462 2672 1 4 . 1 1 542 542 ILE CB C 542 36.729 36.729 38.140 -1.411 18462 2673 1 4 . 1 1 542 542 ILE H H 542 8.275 8.275 8.499 -0.224 18462 2674 1 4 . 1 1 543 543 HIS N N 543 118.514 118.514 117.972 0.542 18462 2675 1 4 . 1 1 543 543 HIS HA H 543 4.257 4.257 4.279 -0.022 18462 2676 1 4 . 1 1 543 543 HIS C C 543 178.283 178.283 177.256 1.027 18462 2677 1 4 . 1 1 543 543 HIS CA C 543 58.758 58.758 58.944 -0.186 18462 2678 1 4 . 1 1 543 543 HIS CB C 543 26.882 26.882 29.909 -3.026 18462 2679 1 4 . 1 1 543 543 HIS H H 543 7.744 7.744 7.652 0.092 18462 2680 1 4 . 1 1 544 544 HIS N N 544 115.805 115.805 116.534 -0.729 18462 2681 1 4 . 1 1 544 544 HIS HA H 544 4.317 4.317 4.369 -0.052 18462 2682 1 4 . 1 1 544 544 HIS C C 544 178.058 178.058 176.992 1.066 18462 2683 1 4 . 1 1 544 544 HIS CA C 544 58.054 58.054 58.817 -0.763 18462 2684 1 4 . 1 1 544 544 HIS CB C 544 36.882 36.882 30.087 6.795 18462 2685 1 4 . 1 1 544 544 HIS H H 544 7.537 7.537 7.459 0.078 18462 2686 1 4 . 1 1 545 545 THR N N 545 109.469 109.469 110.366 -0.897 18462 2687 1 4 . 1 1 545 545 THR HA H 545 4.184 4.184 4.111 0.073 18462 2688 1 4 . 1 1 545 545 THR C C 545 177.277 177.277 175.990 1.287 18462 2689 1 4 . 1 1 545 545 THR CA C 545 62.509 62.509 63.477 -0.968 18462 2690 1 4 . 1 1 545 545 THR CB C 545 68.839 68.839 69.603 -0.764 18462 2691 1 4 . 1 1 545 545 THR H H 545 7.991 7.991 8.135 -0.144 18462 2692 1 4 . 1 1 546 546 GLY N N 546 113.407 113.407 110.798 2.609 18462 2693 1 4 . 1 1 546 546 GLY C C 546 177.501 177.501 173.926 3.575 18462 2694 1 4 . 1 1 546 546 GLY CA C 546 44.935 44.935 45.492 -0.557 18462 2695 1 4 . 1 1 546 546 GLY H H 546 8.530 8.530 7.853 0.677 18462 2696 1 4 . 1 1 547 547 GLU N N 547 123.901 123.901 121.104 2.797 18462 2697 1 4 . 1 1 547 547 GLU HA H 547 3.913 3.913 4.048 -0.135 18462 2698 1 4 . 1 1 547 547 GLU C C 547 173.687 173.687 176.471 -2.784 18462 2699 1 4 . 1 1 547 547 GLU CA C 547 56.413 56.413 56.678 -0.265 18462 2700 1 4 . 1 1 547 547 GLU CB C 547 29.123 29.123 29.636 -0.513 18462 2701 1 4 . 1 1 547 547 GLU H H 547 7.301 7.301 7.623 -0.322 18462 2702 1 4 . 1 1 548 548 ARG N N 548 128.505 128.505 127.579 0.926 18462 2703 1 4 . 1 1 548 548 ARG HA H 548 4.444 4.444 4.364 0.080 18462 2704 1 4 . 1 1 548 548 ARG C C 548 175.180 175.180 176.315 -1.135 18462 2705 1 4 . 1 1 548 548 ARG CA C 548 55.059 55.059 56.855 -1.796 18462 2706 1 4 . 1 1 548 548 ARG CB C 548 29.227 29.227 30.408 -1.181 18462 2707 1 4 . 1 1 548 548 ARG H H 548 8.752 8.752 8.435 0.317 18462 2708 1 4 . 1 1 549 549 ARG N N 549 121.815 121.815 120.895 0.920 18462 2709 1 4 . 1 1 549 549 ARG HA H 549 4.205 4.205 4.605 -0.400 18462 2710 1 4 . 1 1 549 549 ARG C C 549 175.850 175.850 176.048 -0.198 18462 2711 1 4 . 1 1 549 549 ARG CA C 549 57.350 57.350 55.940 1.410 18462 2712 1 4 . 1 1 549 549 ARG CB C 549 32.980 32.980 32.452 0.528 18462 2713 1 4 . 1 1 549 549 ARG H H 549 9.440 9.440 8.733 0.707 18462 2714 1 4 . 1 1 550 550 TYR N N 550 116.087 116.087 119.559 -3.472 18462 2715 1 4 . 1 1 550 550 TYR C C 550 176.129 176.129 175.087 1.042 18462 2716 1 4 . 1 1 550 550 TYR CA C 550 58.169 58.169 57.416 0.753 18462 2717 1 4 . 1 1 550 550 TYR CB C 550 38.994 38.994 37.729 1.265 18462 2718 1 4 . 1 1 550 550 TYR H H 550 8.287 8.287 8.262 0.025 18462 2719 1 4 . 1 1 551 551 GLN N N 551 125.096 125.096 124.610 0.486 18462 2720 1 4 . 1 1 551 551 GLN HA H 551 5.275 5.275 4.722 0.553 18462 2721 1 4 . 1 1 551 551 GLN C C 551 175.080 175.080 174.773 0.307 18462 2722 1 4 . 1 1 551 551 GLN CA C 551 53.610 53.610 54.479 -0.869 18462 2723 1 4 . 1 1 551 551 GLN CB C 551 31.152 31.152 31.041 0.111 18462 2724 1 4 . 1 1 551 551 GLN H H 551 9.656 9.656 9.376 0.280 18462 2725 1 4 . 1 1 552 552 CYS N N 552 128.697 128.697 128.668 0.029 18462 2726 1 4 . 1 1 552 552 CYS HA H 552 4.584 4.584 4.819 -0.235 18462 2727 1 4 . 1 1 552 552 CYS C C 552 175.231 175.231 175.884 -0.653 18462 2728 1 4 . 1 1 552 552 CYS CA C 552 59.461 59.461 58.864 0.597 18462 2729 1 4 . 1 1 552 552 CYS CB C 552 29.695 29.695 25.972 3.723 18462 2730 1 4 . 1 1 552 552 CYS H H 552 9.427 9.427 9.323 0.104 18462 2731 1 4 . 1 1 553 553 LEU N N 553 130.168 130.168 128.275 1.893 18462 2732 1 4 . 1 1 553 553 LEU HA H 553 4.396 4.396 4.054 0.342 18462 2733 1 4 . 1 1 553 553 LEU C C 553 177.402 177.402 177.831 -0.429 18462 2734 1 4 . 1 1 553 553 LEU CA C 553 55.710 55.710 57.369 -1.659 18462 2735 1 4 . 1 1 553 553 LEU CB C 553 40.246 40.246 41.483 -1.237 18462 2736 1 4 . 1 1 553 553 LEU H H 553 8.632 8.632 8.830 -0.198 18462 2737 1 4 . 1 1 554 554 ALA N N 554 125.048 125.048 121.643 3.405 18462 2738 1 4 . 1 1 554 554 ALA HA H 554 4.295 4.295 4.119 0.176 18462 2739 1 4 . 1 1 554 554 ALA C C 554 177.657 177.657 177.987 -0.330 18462 2740 1 4 . 1 1 554 554 ALA CA C 554 53.610 53.610 54.113 -0.503 18462 2741 1 4 . 1 1 554 554 ALA CB C 554 16.577 16.577 18.725 -2.148 18462 2742 1 4 . 1 1 554 554 ALA H H 554 8.847 8.847 8.413 0.434 18462 2743 1 4 . 1 1 555 555 CYS N N 555 113.388 113.388 112.973 0.415 18462 2744 1 4 . 1 1 555 555 CYS HA H 555 5.299 5.299 5.038 0.261 18462 2745 1 4 . 1 1 555 555 CYS C C 555 178.854 178.854 176.413 2.441 18462 2746 1 4 . 1 1 555 555 CYS CA C 555 57.820 57.820 57.876 -0.056 18462 2747 1 4 . 1 1 555 555 CYS CB C 555 31.665 31.665 29.726 1.939 18462 2748 1 4 . 1 1 555 555 CYS H H 555 8.146 8.146 8.074 0.072 18462 2749 1 4 . 1 1 556 556 GLY N N 556 114.264 114.264 110.933 3.331 18462 2750 1 4 . 1 1 556 556 GLY C C 556 176.084 176.084 173.886 2.198 18462 2751 1 4 . 1 1 556 556 GLY CA C 556 45.639 45.639 45.164 0.474 18462 2752 1 4 . 1 1 556 556 GLY H H 556 8.104 8.104 8.883 -0.779 18462 2753 1 4 . 1 1 557 557 LYS N N 557 123.318 123.318 122.041 1.277 18462 2754 1 4 . 1 1 557 557 LYS HA H 557 4.110 4.110 4.147 -0.037 18462 2755 1 4 . 1 1 557 557 LYS C C 557 174.300 174.300 175.677 -1.377 18462 2756 1 4 . 1 1 557 557 LYS CA C 557 57.585 57.585 56.508 1.077 18462 2757 1 4 . 1 1 557 557 LYS CB C 557 33.447 33.447 32.938 0.508 18462 2758 1 4 . 1 1 557 557 LYS H H 557 8.043 8.043 7.590 0.453 18462 2759 1 4 . 1 1 558 558 SER N N 558 115.947 115.947 117.569 -1.622 18462 2760 1 4 . 1 1 558 558 SER HA H 558 5.661 5.661 5.352 0.309 18462 2761 1 4 . 1 1 558 558 SER C C 558 174.321 174.321 173.346 0.975 18462 2762 1 4 . 1 1 558 558 SER CA C 558 56.179 56.179 56.963 -0.784 18462 2763 1 4 . 1 1 558 558 SER CB C 558 65.088 65.088 65.398 -0.310 18462 2764 1 4 . 1 1 558 558 SER H H 558 7.864 7.864 8.241 -0.377 18462 2765 1 4 . 1 1 559 559 PHE N N 559 117.815 117.815 120.031 -2.216 18462 2766 1 4 . 1 1 559 559 PHE HA H 559 4.781 4.781 4.798 -0.017 18462 2767 1 4 . 1 1 559 559 PHE C C 559 173.632 173.632 175.997 -2.365 18462 2768 1 4 . 1 1 559 559 PHE CA C 559 56.687 56.687 57.101 -0.414 18462 2769 1 4 . 1 1 559 559 PHE CB C 559 44.232 44.232 42.179 2.053 18462 2770 1 4 . 1 1 559 559 PHE H H 559 9.488 9.488 8.929 0.559 18462 2771 1 4 . 1 1 560 560 ILE N N 560 118.092 118.092 119.712 -1.620 18462 2772 1 4 . 1 1 560 560 ILE HA H 560 4.470 4.470 4.160 0.310 18462 2773 1 4 . 1 1 560 560 ILE C C 560 175.986 175.986 174.588 1.398 18462 2774 1 4 . 1 1 560 560 ILE CA C 560 62.040 62.040 63.059 -1.019 18462 2775 1 4 . 1 1 560 560 ILE CB C 560 39.308 39.308 38.321 0.987 18462 2776 1 4 . 1 1 560 560 ILE H H 560 9.306 9.306 8.629 0.677 18462 2777 1 4 . 1 1 561 561 ASN N N 561 114.751 114.751 112.237 2.514 18462 2778 1 4 . 1 1 561 561 ASN HA H 561 4.683 4.683 4.977 -0.294 18462 2779 1 4 . 1 1 561 561 ASN C C 561 175.350 175.350 174.552 0.798 18462 2780 1 4 . 1 1 561 561 ASN CA C 561 50.797 50.797 51.768 -0.971 18462 2781 1 4 . 1 1 561 561 ASN CB C 561 39.777 39.777 40.066 -0.290 18462 2782 1 4 . 1 1 561 561 ASN H H 561 7.387 7.387 7.674 -0.287 18462 2783 1 4 . 1 1 562 562 TYR N N 562 118.833 118.833 120.685 -1.852 18462 2784 1 4 . 1 1 562 562 TYR C C 562 172.730 172.730 177.128 -4.398 18462 2785 1 4 . 1 1 562 562 TYR CA C 562 59.907 59.907 60.211 -0.304 18462 2786 1 4 . 1 1 562 562 TYR CB C 562 38.480 38.480 37.715 0.765 18462 2787 1 4 . 1 1 562 562 TYR H H 562 8.243 8.243 8.538 -0.295 18462 2788 1 4 . 1 1 563 563 GLN N N 563 119.525 119.525 118.592 0.933 18462 2789 1 4 . 1 1 563 563 GLN HA H 563 3.720 3.720 3.756 -0.036 18462 2790 1 4 . 1 1 563 563 GLN C C 563 176.326 176.326 178.507 -2.181 18462 2791 1 4 . 1 1 563 563 GLN CA C 563 61.102 61.102 59.766 1.336 18462 2792 1 4 . 1 1 563 563 GLN CB C 563 25.450 25.450 27.675 -2.225 18462 2793 1 4 . 1 1 563 563 GLN H H 563 8.524 8.524 8.366 0.158 18462 2794 1 4 . 1 1 564 564 PHE N N 564 118.625 118.625 119.593 -0.968 18462 2795 1 4 . 1 1 564 564 PHE HA H 564 4.427 4.427 4.223 0.204 18462 2796 1 4 . 1 1 564 564 PHE C C 564 179.429 179.429 177.661 1.768 18462 2797 1 4 . 1 1 564 564 PHE CA C 564 59.461 59.461 60.254 -0.793 18462 2798 1 4 . 1 1 564 564 PHE CB C 564 38.488 38.488 38.627 -0.140 18462 2799 1 4 . 1 1 564 564 PHE H H 564 8.904 8.904 9.011 -0.107 18462 2800 1 4 . 1 1 565 565 MET N N 565 120.996 120.996 120.291 0.705 18462 2801 1 4 . 1 1 565 565 MET HA H 565 3.720 3.720 3.093 0.627 18462 2802 1 4 . 1 1 565 565 MET C C 565 178.642 178.642 177.839 0.803 18462 2803 1 4 . 1 1 565 565 MET CA C 565 58.037 58.037 57.755 0.282 18462 2804 1 4 . 1 1 565 565 MET H H 565 7.153 7.153 7.826 -0.673 18462 2805 1 4 . 1 1 566 566 SER N N 566 115.706 115.706 115.298 0.408 18462 2806 1 4 . 1 1 566 566 SER HA H 566 3.720 3.720 4.029 -0.309 18462 2807 1 4 . 1 1 566 566 SER C C 566 176.710 176.710 176.474 0.236 18462 2808 1 4 . 1 1 566 566 SER CA C 566 60.633 60.633 61.731 -1.098 18462 2809 1 4 . 1 1 566 566 SER CB C 566 62.040 62.040 62.817 -0.777 18462 2810 1 4 . 1 1 566 566 SER H H 566 8.918 8.918 8.773 0.145 18462 2811 1 4 . 1 1 567 567 SER N N 567 114.335 114.335 117.287 -2.952 18462 2812 1 4 . 1 1 567 567 SER HA H 567 4.212 4.212 4.032 0.180 18462 2813 1 4 . 1 1 567 567 SER C C 567 176.849 176.849 176.311 0.538 18462 2814 1 4 . 1 1 567 567 SER CA C 567 60.868 60.868 61.378 -0.510 18462 2815 1 4 . 1 1 567 567 SER CB C 567 61.806 61.806 63.142 -1.337 18462 2816 1 4 . 1 1 567 567 SER H H 567 7.933 7.933 7.643 0.290 18462 2817 1 4 . 1 1 568 568 HIS N N 568 120.659 120.659 121.894 -1.235 18462 2818 1 4 . 1 1 568 568 HIS HA H 568 4.327 4.327 4.270 0.057 18462 2819 1 4 . 1 1 568 568 HIS C C 568 177.652 177.652 177.382 0.270 18462 2820 1 4 . 1 1 568 568 HIS CA C 568 58.992 58.992 59.575 -0.583 18462 2821 1 4 . 1 1 568 568 HIS CB C 568 27.234 27.234 29.467 -2.233 18462 2822 1 4 . 1 1 568 568 HIS H H 568 7.594 7.594 8.099 -0.505 18462 2823 1 4 . 1 1 569 569 ILE N N 569 120.858 120.858 119.574 1.284 18462 2824 1 4 . 1 1 569 569 ILE HA H 569 3.562 3.562 3.699 -0.137 18462 2825 1 4 . 1 1 569 569 ILE C C 569 175.925 175.925 178.316 -2.391 18462 2826 1 4 . 1 1 569 569 ILE CA C 569 66.729 66.729 65.208 1.521 18462 2827 1 4 . 1 1 569 569 ILE CB C 569 37.198 37.198 37.808 -0.610 18462 2828 1 4 . 1 1 569 569 ILE H H 569 8.640 8.640 8.439 0.201 18462 2829 1 4 . 1 1 570 570 LYS N N 570 118.876 118.876 120.658 -1.782 18462 2830 1 4 . 1 1 570 570 LYS HA H 570 4.329 4.329 4.241 0.088 18462 2831 1 4 . 1 1 570 570 LYS C C 570 178.927 178.927 179.283 -0.356 18462 2832 1 4 . 1 1 570 570 LYS CA C 570 59.461 59.461 59.586 -0.125 18462 2833 1 4 . 1 1 570 570 LYS CB C 570 32.743 32.743 32.497 0.246 18462 2834 1 4 . 1 1 570 570 LYS H H 570 8.463 8.463 8.125 0.338 18462 2835 1 4 . 1 1 571 571 SER N N 571 112.612 112.612 114.815 -2.203 18462 2836 1 4 . 1 1 571 571 SER HA H 571 4.323 4.323 4.218 0.105 18462 2837 1 4 . 1 1 571 571 SER C C 571 179.258 179.258 176.071 3.187 18462 2838 1 4 . 1 1 571 571 SER CA C 571 59.930 59.930 61.560 -1.630 18462 2839 1 4 . 1 1 571 571 SER CB C 571 62.978 62.978 63.308 -0.330 18462 2840 1 4 . 1 1 571 571 SER H H 571 7.997 7.997 8.049 -0.052 18462 2841 1 4 . 1 1 572 572 VAL N N 572 120.208 120.208 119.538 0.670 18462 2842 1 4 . 1 1 572 572 VAL HA H 572 3.789 3.789 3.764 0.025 18462 2843 1 4 . 1 1 572 572 VAL C C 572 176.245 176.245 176.939 -0.694 18462 2844 1 4 . 1 1 572 572 VAL CA C 572 63.916 63.916 64.327 -0.411 18462 2845 1 4 . 1 1 572 572 VAL CB C 572 31.337 31.337 31.768 -0.431 18462 2846 1 4 . 1 1 572 572 VAL H H 572 8.615 8.615 8.026 0.589 18462 2847 1 4 . 1 1 573 573 HIS N N 573 113.735 113.735 116.044 -2.309 18462 2848 1 4 . 1 1 573 573 HIS HA H 573 5.102 5.102 4.779 0.323 18462 2849 1 4 . 1 1 573 573 HIS C C 573 177.042 177.042 175.193 1.849 18462 2850 1 4 . 1 1 573 573 HIS CA C 573 53.376 53.376 55.516 -2.140 18462 2851 1 4 . 1 1 573 573 HIS CB C 573 28.210 28.210 30.509 -2.299 18462 2852 1 4 . 1 1 573 573 HIS H H 573 7.067 7.067 7.363 -0.296 18462 2853 1 4 . 1 1 574 574 SER N N 574 112.537 112.537 113.288 -0.751 18462 2854 1 4 . 1 1 574 574 SER HA H 574 4.421 4.421 4.284 0.137 18462 2855 1 4 . 1 1 574 574 SER C C 574 174.525 174.525 173.757 0.768 18462 2856 1 4 . 1 1 574 574 SER CA C 574 58.054 58.054 59.376 -1.322 18462 2857 1 4 . 1 1 574 574 SER CB C 574 61.102 61.102 61.568 -0.466 18462 2858 1 4 . 1 1 574 574 SER H H 574 7.325 7.325 8.053 -0.728 18462 2859 1 4 . 1 1 575 575 GLN N N 575 117.032 117.032 117.799 -0.767 18462 2860 1 4 . 1 1 575 575 GLN HA H 575 4.659 4.659 4.564 0.095 18462 2861 1 4 . 1 1 575 575 GLN C C 575 173.993 173.993 173.622 0.371 18462 2862 1 4 . 1 1 575 575 GLN CA C 575 53.376 53.376 54.271 -0.895 18462 2863 1 4 . 1 1 575 575 GLN CB C 575 32.743 32.743 32.936 -0.193 18462 2864 1 4 . 1 1 575 575 GLN H H 575 7.480 7.480 7.343 0.137 18462 2865 1 4 . 1 1 576 576 ASP N N 576 118.953 118.953 120.996 -2.043 18462 2866 1 4 . 1 1 576 576 ASP HA H 576 4.992 4.992 5.002 -0.010 18462 2867 1 4 . 1 1 576 576 ASP C C 576 173.387 173.387 176.219 -2.832 18462 2868 1 4 . 1 1 576 576 ASP CA C 576 50.094 50.094 50.020 0.074 18462 2869 1 4 . 1 1 576 576 ASP CB C 576 41.301 41.301 42.120 -0.819 18462 2870 1 4 . 1 1 576 576 ASP H H 576 8.173 8.173 8.541 -0.368 18462 2871 1 4 . 1 1 577 577 PRO HA H 577 4.629 4.629 4.663 -0.034 18462 2872 1 4 . 1 1 577 577 PRO CA C 577 63.212 63.212 64.068 -0.856 18462 2873 1 4 . 1 1 577 577 PRO CB C 577 31.806 31.806 32.620 -0.814 18462 2874 1 4 . 1 1 578 578 SER N N 578 114.986 114.986 113.563 1.423 18462 2875 1 4 . 1 1 578 578 SER HA H 578 4.820 4.820 4.523 0.297 18462 2876 1 4 . 1 1 578 578 SER C C 578 176.301 176.301 175.622 0.679 18462 2877 1 4 . 1 1 578 578 SER CA C 578 58.054 58.054 58.802 -0.748 18462 2878 1 4 . 1 1 578 578 SER CB C 578 63.447 63.447 63.250 0.197 18462 2879 1 4 . 1 1 578 578 SER H H 578 8.387 8.387 8.315 0.072 18462 2880 1 4 . 1 1 579 579 GLY N N 579 111.279 111.279 111.157 0.122 18462 2881 1 4 . 1 1 579 579 GLY C C 579 175.262 175.262 174.350 0.912 18462 2882 1 4 . 1 1 579 579 GLY CA C 579 44.935 44.935 44.919 0.016 18462 2883 1 4 . 1 1 579 579 GLY H H 579 8.554 8.554 7.667 0.887 18462 2884 1 4 . 1 1 580 580 ASP N N 580 121.402 121.402 119.872 1.530 18462 2885 1 4 . 1 1 580 580 ASP HA H 580 4.700 4.700 4.901 -0.201 18462 2886 1 4 . 1 1 580 580 ASP C C 580 174.329 174.329 176.238 -1.909 18462 2887 1 4 . 1 1 580 580 ASP CA C 580 53.845 53.845 54.121 -0.276 18462 2888 1 4 . 1 1 580 580 ASP CB C 580 40.012 40.012 40.467 -0.455 18462 2889 1 4 . 1 1 580 580 ASP H H 580 8.386 8.386 8.571 -0.185 18462 2890 1 4 . 1 1 581 581 SER N N 581 115.668 115.668 115.598 0.070 18462 2891 1 4 . 1 1 581 581 SER HA H 581 4.421 4.421 4.468 -0.047 18462 2892 1 4 . 1 1 581 581 SER C C 581 176.108 176.108 175.049 1.059 18462 2893 1 4 . 1 1 581 581 SER CA C 581 58.054 58.054 58.533 -0.479 18462 2894 1 4 . 1 1 581 581 SER CB C 581 63.212 63.212 64.483 -1.271 18462 2895 1 4 . 1 1 581 581 SER H H 581 8.015 8.015 8.273 -0.258 18462 2896 1 4 . 1 1 582 582 LYS N N 582 120.544 120.544 120.272 0.272 18462 2897 1 4 . 1 1 582 582 LYS HA H 582 4.329 4.329 3.946 0.383 18462 2898 1 4 . 1 1 582 582 LYS C C 582 174.302 174.302 175.482 -1.180 18462 2899 1 4 . 1 1 582 582 LYS CA C 582 55.944 55.944 56.876 -0.932 18462 2900 1 4 . 1 1 582 582 LYS CB C 582 30.868 30.868 30.132 0.736 18462 2901 1 4 . 1 1 582 582 LYS H H 582 8.453 8.453 8.387 0.066 18462 2902 1 4 . 1 1 583 583 LEU N N 583 119.514 119.514 118.308 1.206 18462 2903 1 4 . 1 1 583 583 LEU HA H 583 4.458 4.458 4.358 0.100 18462 2904 1 4 . 1 1 583 583 LEU C C 583 176.924 176.924 174.997 1.927 18462 2905 1 4 . 1 1 583 583 LEU CA C 583 54.303 54.303 54.491 -0.188 18462 2906 1 4 . 1 1 583 583 LEU CB C 583 43.060 43.060 42.197 0.863 18462 2907 1 4 . 1 1 583 583 LEU H H 583 8.391 8.391 8.519 -0.128 18462 2908 1 4 . 1 1 584 584 TYR N N 584 115.291 115.291 113.658 1.633 18462 2909 1 4 . 1 1 584 584 TYR HA H 584 5.714 5.714 5.612 0.102 18462 2910 1 4 . 1 1 584 584 TYR C C 584 175.675 175.675 173.645 2.030 18462 2911 1 4 . 1 1 584 584 TYR CA C 584 54.303 54.303 54.758 -0.455 18462 2912 1 4 . 1 1 584 584 TYR CB C 584 42.420 42.420 41.786 0.634 18462 2913 1 4 . 1 1 584 584 TYR H H 584 7.625 7.625 6.990 0.635 18462 2914 1 4 . 1 1 585 585 ARG N N 585 120.321 120.321 121.473 -1.152 18462 2915 1 4 . 1 1 585 585 ARG HA H 585 4.407 4.407 4.583 -0.176 18462 2916 1 4 . 1 1 585 585 ARG C C 585 172.342 172.342 174.169 -1.827 18462 2917 1 4 . 1 1 585 585 ARG CA C 585 53.376 53.376 54.439 -1.063 18462 2918 1 4 . 1 1 585 585 ARG CB C 585 33.916 33.916 34.349 -0.433 18462 2919 1 4 . 1 1 585 585 ARG H H 585 9.141 9.141 8.852 0.289 18462 2920 1 4 . 1 1 586 586 LEU N N 586 129.013 129.013 129.304 -0.291 18462 2921 1 4 . 1 1 586 586 LEU HA H 586 4.768 4.768 4.762 0.006 18462 2922 1 4 . 1 1 586 586 LEU C C 586 173.449 173.449 175.369 -1.920 18462 2923 1 4 . 1 1 586 586 LEU CA C 586 52.438 52.438 53.960 -1.522 18462 2924 1 4 . 1 1 586 586 LEU CB C 586 41.653 41.653 42.323 -0.670 18462 2925 1 4 . 1 1 586 586 LEU H H 586 8.581 8.581 8.707 -0.126 18462 2926 1 4 . 1 1 587 587 HIS N N 587 127.447 127.447 127.164 0.283 18462 2927 1 4 . 1 1 587 587 HIS HA H 587 4.650 4.650 4.893 -0.243 18462 2928 1 4 . 1 1 587 587 HIS C C 587 175.512 175.512 173.526 1.986 18462 2929 1 4 . 1 1 587 587 HIS CA C 587 55.544 55.544 55.440 0.104 18462 2930 1 4 . 1 1 587 587 HIS CB C 587 29.930 29.930 31.056 -1.126 18462 2931 1 4 . 1 1 587 587 HIS H H 587 9.132 9.132 8.705 0.427 18462 2932 1 4 . 1 1 588 588 PRO HA H 588 4.441 4.441 4.559 -0.118 18462 2933 1 4 . 1 1 588 588 PRO CA C 588 62.509 62.509 63.057 -0.548 18462 2934 1 4 . 1 1 588 588 PRO CB C 588 31.688 31.688 32.624 -0.936 18462 2935 1 4 . 1 1 589 589 CYS N N 589 124.057 124.057 121.223 2.834 18462 2936 1 4 . 1 1 589 589 CYS HA H 589 4.275 4.275 4.477 -0.202 18462 2937 1 4 . 1 1 589 589 CYS C C 589 174.401 174.401 175.063 -0.662 18462 2938 1 4 . 1 1 589 589 CYS CA C 589 58.289 58.289 57.434 0.855 18462 2939 1 4 . 1 1 589 589 CYS CB C 589 26.413 26.413 29.356 -2.943 18462 2940 1 4 . 1 1 589 589 CYS H H 589 9.475 9.475 8.868 0.607 18462 2941 1 4 . 1 1 590 590 ARG N N 590 130.942 130.942 127.817 3.125 18462 2942 1 4 . 1 1 590 590 ARG HA H 590 4.689 4.689 4.614 0.075 18462 2943 1 4 . 1 1 590 590 ARG C C 590 175.091 175.091 176.984 -1.893 18462 2944 1 4 . 1 1 590 590 ARG CA C 590 55.241 55.241 56.058 -0.817 18462 2945 1 4 . 1 1 590 590 ARG CB C 590 30.633 30.633 31.132 -0.499 18462 2946 1 4 . 1 1 590 590 ARG H H 590 7.227 7.227 9.300 -2.073 18462 2947 1 4 . 1 1 591 591 SER N N 591 117.243 117.243 116.963 0.280 18462 2948 1 4 . 1 1 591 591 SER HA H 591 4.342 4.342 4.341 0.001 18462 2949 1 4 . 1 1 591 591 SER C C 591 178.367 178.367 174.886 3.481 18462 2950 1 4 . 1 1 591 591 SER CA C 591 59.695 59.695 61.083 -1.388 18462 2951 1 4 . 1 1 591 591 SER CB C 591 61.923 61.923 63.866 -1.943 18462 2952 1 4 . 1 1 591 591 SER H H 591 9.571 9.571 8.889 0.682 18462 2953 1 4 . 1 1 592 592 LEU N N 592 121.308 121.308 117.483 3.825 18462 2954 1 4 . 1 1 592 592 LEU HA H 592 4.778 4.778 4.742 0.036 18462 2955 1 4 . 1 1 592 592 LEU C C 592 173.260 173.260 175.553 -2.293 18462 2956 1 4 . 1 1 592 592 LEU CA C 592 52.846 52.846 53.379 -0.533 18462 2957 1 4 . 1 1 592 592 LEU CB C 592 45.404 45.404 43.902 1.502 18462 2958 1 4 . 1 1 592 592 LEU H H 592 7.369 7.369 7.270 0.099 18462 2959 1 4 . 1 1 593 593 GLN N N 593 122.109 122.109 120.600 1.509 18462 2960 1 4 . 1 1 593 593 GLN HA H 593 4.564 4.564 4.387 0.177 18462 2961 1 4 . 1 1 593 593 GLN C C 593 175.827 175.827 175.059 0.768 18462 2962 1 4 . 1 1 593 593 GLN CA C 593 54.303 54.303 56.026 -1.723 18462 2963 1 4 . 1 1 593 593 GLN CB C 593 26.882 26.882 27.610 -0.728 18462 2964 1 4 . 1 1 593 593 GLN H H 593 8.599 8.599 8.464 0.135 18462 2965 1 4 . 1 1 594 594 ILE N N 594 118.085 118.085 120.346 -2.261 18462 2966 1 4 . 1 1 594 594 ILE HA H 594 4.755 4.755 4.514 0.241 18462 2967 1 4 . 1 1 594 594 ILE C C 594 175.093 175.093 174.719 0.374 18462 2968 1 4 . 1 1 594 594 ILE CA C 594 58.831 58.831 58.995 -0.164 18462 2969 1 4 . 1 1 594 594 ILE CB C 594 42.591 42.591 40.867 1.724 18462 2970 1 4 . 1 1 594 594 ILE H H 594 7.635 7.635 7.894 -0.259 18462 2971 1 4 . 1 1 595 595 ARG N N 595 123.800 123.800 121.523 2.277 18462 2972 1 4 . 1 1 595 595 ARG HA H 595 4.038 4.038 4.288 -0.250 18462 2973 1 4 . 1 1 595 595 ARG C C 595 175.440 175.440 175.426 0.014 18462 2974 1 4 . 1 1 595 595 ARG CA C 595 56.386 56.386 56.249 0.137 18462 2975 1 4 . 1 1 595 595 ARG CB C 595 30.516 30.516 30.699 -0.183 18462 2976 1 4 . 1 1 595 595 ARG H H 595 9.075 9.075 8.293 0.782 18462 2977 1 4 . 1 1 596 596 GLN N N 596 124.290 124.290 121.061 3.229 18462 2978 1 4 . 1 1 596 596 GLN HA H 596 4.420 4.420 4.298 0.122 18462 2979 1 4 . 1 1 596 596 GLN C C 596 174.630 174.630 174.744 -0.114 18462 2980 1 4 . 1 1 596 596 GLN CA C 596 52.907 52.907 54.623 -1.716 18462 2981 1 4 . 1 1 596 596 GLN CB C 596 30.164 30.164 31.051 -0.887 18462 2982 1 4 . 1 1 596 596 GLN H H 596 8.495 8.495 8.341 0.154 18462 2983 1 4 . 1 1 597 597 TYR N N 597 121.829 121.829 121.645 0.184 18462 2984 1 4 . 1 1 597 597 TYR HA H 597 4.767 4.767 4.238 0.529 18462 2985 1 4 . 1 1 597 597 TYR C C 597 175.453 175.453 177.123 -1.670 18462 2986 1 4 . 1 1 597 597 TYR CA C 597 57.467 57.467 57.698 -0.231 18462 2987 1 4 . 1 1 597 597 TYR CB C 597 38.839 38.839 38.597 0.242 18462 2988 1 4 . 1 1 597 597 TYR H H 597 7.966 7.966 8.276 -0.310 18462 2989 1 4 . 1 1 598 598 ALA N N 598 129.272 129.272 124.605 4.667 18462 2990 1 4 . 1 1 598 598 ALA HA H 598 4.191 4.191 4.075 0.116 18462 2991 1 4 . 1 1 598 598 ALA C C 598 177.425 177.425 177.821 -0.396 18462 2992 1 4 . 1 1 598 598 ALA CA C 598 54.040 54.040 54.364 -0.324 18462 2993 1 4 . 1 1 598 598 ALA CB C 598 17.749 17.749 18.256 -0.507 18462 2994 1 4 . 1 1 598 598 ALA H H 598 9.540 9.540 8.871 0.669 18462 2995 1 4 . 1 1 599 599 TYR N N 599 115.845 115.845 112.735 3.110 18462 2996 1 4 . 1 1 599 599 TYR HA H 599 4.560 4.560 4.503 0.057 18462 2997 1 4 . 1 1 599 599 TYR C C 599 173.276 173.276 175.998 -2.722 18462 2998 1 4 . 1 1 599 599 TYR CA C 599 58.172 58.172 57.986 0.186 18462 2999 1 4 . 1 1 599 599 TYR CB C 599 36.432 36.432 37.645 -1.213 18462 3000 1 4 . 1 1 599 599 TYR H H 599 8.496 8.496 7.805 0.691 18462 3001 1 4 . 1 1 600 600 LEU N N 600 120.764 120.764 118.732 2.032 18462 3002 1 4 . 1 1 600 600 LEU HA H 600 4.260 4.260 4.299 -0.039 18462 3003 1 4 . 1 1 600 600 LEU C C 600 176.164 176.164 178.634 -2.470 18462 3004 1 4 . 1 1 600 600 LEU CA C 600 54.303 54.303 55.170 -0.867 18462 3005 1 4 . 1 1 600 600 LEU CB C 600 41.419 41.419 41.239 0.180 18462 3006 1 4 . 1 1 600 600 LEU H H 600 7.299 7.299 7.350 -0.051 18462 3007 1 4 . 1 1 601 601 SER N N 601 114.419 114.419 115.241 -0.822 18462 3008 1 4 . 1 1 601 601 SER HA H 601 4.418 4.418 4.194 0.224 18462 3009 1 4 . 1 1 601 601 SER C C 601 177.754 177.754 175.188 2.566 18462 3010 1 4 . 1 1 601 601 SER CA C 601 58.054 58.054 60.895 -2.841 18462 3011 1 4 . 1 1 601 601 SER CB C 601 63.212 63.212 63.629 -0.417 18462 3012 1 4 . 1 1 601 601 SER H H 601 7.896 7.896 7.720 0.176 18462 3013 1 4 . 1 1 602 602 ASP N N 602 122.293 122.293 118.704 3.589 18462 3014 1 4 . 1 1 602 602 ASP HA H 602 4.651 4.651 4.818 -0.167 18462 3015 1 4 . 1 1 602 602 ASP C C 602 174.087 174.087 175.591 -1.504 18462 3016 1 4 . 1 1 602 602 ASP CA C 602 53.845 53.845 53.455 0.390 18462 3017 1 4 . 1 1 602 602 ASP CB C 602 40.481 40.481 42.795 -2.314 18462 3018 1 4 . 1 1 602 602 ASP H H 602 8.257 8.257 7.730 0.527 18462 3019 1 4 . 1 1 603 603 ARG N N 603 121.398 121.398 124.326 -2.928 18462 3020 1 4 . 1 1 603 603 ARG HA H 603 4.454 4.454 4.365 0.089 18462 3021 1 4 . 1 1 603 603 ARG C C 603 176.111 176.111 175.387 0.724 18462 3022 1 4 . 1 1 603 603 ARG CA C 603 55.241 55.241 56.127 -0.886 18462 3023 1 4 . 1 1 603 603 ARG CB C 603 30.164 30.164 29.963 0.201 18462 3024 1 4 . 1 1 603 603 ARG H H 603 8.234 8.234 8.399 -0.165 18462 3025 1 5 . 1 1 473 473 ASN HA H 473 4.815 4.815 4.861 -0.046 18462 3026 1 5 . 1 1 473 473 ASN CA C 473 52.204 52.204 52.991 -0.787 18462 3027 1 5 . 1 1 473 473 ASN CB C 473 38.371 38.371 39.215 -0.844 18462 3028 1 5 . 1 1 474 474 LYS N N 474 122.150 122.150 120.116 2.034 18462 3029 1 5 . 1 1 474 474 LYS HA H 474 4.375 4.375 4.344 0.031 18462 3030 1 5 . 1 1 474 474 LYS C C 474 174.965 174.965 176.555 -1.590 18462 3031 1 5 . 1 1 474 474 LYS CA C 474 55.944 55.944 55.804 0.140 18462 3032 1 5 . 1 1 474 474 LYS CB C 474 32.405 32.405 33.256 -0.851 18462 3033 1 5 . 1 1 474 474 LYS H H 474 8.586 8.586 8.350 0.236 18462 3034 1 5 . 1 1 475 475 ARG N N 475 122.278 122.278 122.100 0.178 18462 3035 1 5 . 1 1 475 475 ARG HA H 475 4.374 4.374 4.246 0.128 18462 3036 1 5 . 1 1 475 475 ARG C C 475 176.695 176.695 175.292 1.403 18462 3037 1 5 . 1 1 475 475 ARG CA C 475 55.944 55.944 56.909 -0.965 18462 3038 1 5 . 1 1 475 475 ARG CB C 475 30.164 30.164 29.547 0.616 18462 3039 1 5 . 1 1 475 475 ARG H H 475 8.662 8.662 8.510 0.152 18462 3040 1 5 . 1 1 476 476 MET N N 476 122.046 122.046 124.996 -2.950 18462 3041 1 5 . 1 1 476 476 MET HA H 476 4.496 4.496 4.652 -0.156 18462 3042 1 5 . 1 1 476 476 MET C C 476 176.359 176.359 174.493 1.866 18462 3043 1 5 . 1 1 476 476 MET CA C 476 54.537 54.537 55.224 -0.687 18462 3044 1 5 . 1 1 476 476 MET CB C 476 32.509 32.509 35.097 -2.588 18462 3045 1 5 . 1 1 476 476 MET H H 476 8.490 8.490 8.267 0.223 18462 3046 1 5 . 1 1 477 477 LYS N N 477 123.768 123.768 124.696 -0.928 18462 3047 1 5 . 1 1 477 477 LYS HA H 477 4.384 4.384 4.554 -0.170 18462 3048 1 5 . 1 1 477 477 LYS C C 477 176.015 176.015 174.530 1.485 18462 3049 1 5 . 1 1 477 477 LYS CA C 477 55.834 55.834 56.229 -0.395 18462 3050 1 5 . 1 1 477 477 LYS CB C 477 32.107 32.107 32.034 0.073 18462 3051 1 5 . 1 1 477 477 LYS H H 477 8.472 8.472 8.684 -0.212 18462 3052 1 5 . 1 1 478 478 VAL N N 478 122.460 122.460 117.554 4.906 18462 3053 1 5 . 1 1 478 478 VAL HA H 478 4.054 4.054 4.039 0.015 18462 3054 1 5 . 1 1 478 478 VAL C C 478 176.320 176.320 173.764 2.556 18462 3055 1 5 . 1 1 478 478 VAL CA C 478 61.337 61.337 62.834 -1.496 18462 3056 1 5 . 1 1 478 478 VAL CB C 478 32.275 32.275 33.125 -0.850 18462 3057 1 5 . 1 1 478 478 VAL H H 478 8.230 8.230 7.480 0.750 18462 3058 1 5 . 1 1 479 479 LYS N N 479 126.119 126.119 128.594 -2.475 18462 3059 1 5 . 1 1 479 479 LYS HA H 479 4.365 4.365 4.524 -0.159 18462 3060 1 5 . 1 1 479 479 LYS C C 479 175.605 175.605 174.398 1.207 18462 3061 1 5 . 1 1 479 479 LYS CA C 479 55.006 55.006 56.409 -1.403 18462 3062 1 5 . 1 1 479 479 LYS CB C 479 32.098 32.098 33.829 -1.731 18462 3063 1 5 . 1 1 479 479 LYS H H 479 8.453 8.453 8.323 0.130 18462 3064 1 5 . 1 1 480 480 HIS N N 480 121.065 121.065 120.091 0.974 18462 3065 1 5 . 1 1 480 480 HIS HA H 480 4.713 4.713 4.668 0.045 18462 3066 1 5 . 1 1 480 480 HIS C C 480 175.937 175.937 173.346 2.591 18462 3067 1 5 . 1 1 480 480 HIS CA C 480 54.537 54.537 54.991 -0.454 18462 3068 1 5 . 1 1 480 480 HIS CB C 480 30.047 30.047 30.655 -0.608 18462 3069 1 5 . 1 1 480 480 HIS H H 480 8.559 8.559 8.516 0.043 18462 3070 1 5 . 1 1 481 481 ASP HA H 481 4.392 4.392 4.704 -0.312 18462 3071 1 5 . 1 1 481 481 ASP C C 481 174.413 174.413 175.693 -1.280 18462 3072 1 5 . 1 1 481 481 ASP CA C 481 52.907 52.907 54.458 -1.551 18462 3073 1 5 . 1 1 481 481 ASP CB C 481 39.543 39.543 41.659 -2.116 18462 3074 1 5 . 1 1 482 482 ASP N N 482 118.362 118.362 114.754 3.608 18462 3075 1 5 . 1 1 482 482 ASP HA H 482 4.710 4.710 4.521 0.189 18462 3076 1 5 . 1 1 482 482 ASP C C 482 175.104 175.104 174.726 0.378 18462 3077 1 5 . 1 1 482 482 ASP CA C 482 53.376 53.376 53.708 -0.332 18462 3078 1 5 . 1 1 482 482 ASP CB C 482 39.308 39.308 40.693 -1.385 18462 3079 1 5 . 1 1 482 482 ASP H H 482 8.216 8.216 8.187 0.029 18462 3080 1 5 . 1 1 483 483 HIS N N 483 113.578 113.578 114.006 -0.428 18462 3081 1 5 . 1 1 483 483 HIS HA H 483 5.886 5.886 5.171 0.715 18462 3082 1 5 . 1 1 483 483 HIS C C 483 175.274 175.274 172.720 2.554 18462 3083 1 5 . 1 1 483 483 HIS CA C 483 55.241 55.241 55.476 -0.235 18462 3084 1 5 . 1 1 483 483 HIS CB C 483 32.040 32.040 31.717 0.323 18462 3085 1 5 . 1 1 483 483 HIS H H 483 7.692 7.692 7.259 0.433 18462 3086 1 5 . 1 1 484 484 TYR N N 484 116.271 116.271 113.703 2.568 18462 3087 1 5 . 1 1 484 484 TYR HA H 484 5.003 5.003 4.934 0.069 18462 3088 1 5 . 1 1 484 484 TYR C C 484 180.038 180.038 173.748 6.290 18462 3089 1 5 . 1 1 484 484 TYR CA C 484 55.241 55.241 56.003 -0.762 18462 3090 1 5 . 1 1 484 484 TYR CB C 484 39.777 39.777 40.526 -0.749 18462 3091 1 5 . 1 1 484 484 TYR H H 484 8.493 8.493 8.769 -0.276 18462 3092 1 5 . 1 1 485 485 GLU N N 485 120.840 120.840 121.231 -0.391 18462 3093 1 5 . 1 1 485 485 GLU HA H 485 5.301 5.301 4.812 0.489 18462 3094 1 5 . 1 1 485 485 GLU C C 485 174.101 174.101 175.533 -1.432 18462 3095 1 5 . 1 1 485 485 GLU CA C 485 54.772 54.772 55.888 -1.115 18462 3096 1 5 . 1 1 485 485 GLU CB C 485 31.337 31.337 31.186 0.151 18462 3097 1 5 . 1 1 485 485 GLU H H 485 8.873 8.873 8.792 0.081 18462 3098 1 5 . 1 1 486 486 LEU N N 486 125.807 125.807 126.794 -0.987 18462 3099 1 5 . 1 1 486 486 LEU HA H 486 4.762 4.762 4.827 -0.065 18462 3100 1 5 . 1 1 486 486 LEU C C 486 175.613 175.613 175.073 0.540 18462 3101 1 5 . 1 1 486 486 LEU CA C 486 53.645 53.645 54.093 -0.448 18462 3102 1 5 . 1 1 486 486 LEU CB C 486 45.873 45.873 44.908 0.965 18462 3103 1 5 . 1 1 486 486 LEU H H 486 8.957 8.957 8.782 0.175 18462 3104 1 5 . 1 1 487 487 ILE N N 487 125.332 125.332 127.927 -2.595 18462 3105 1 5 . 1 1 487 487 ILE HA H 487 5.007 5.007 4.374 0.633 18462 3106 1 5 . 1 1 487 487 ILE C C 487 174.543 174.543 175.510 -0.967 18462 3107 1 5 . 1 1 487 487 ILE CA C 487 59.695 59.695 61.602 -1.907 18462 3108 1 5 . 1 1 487 487 ILE CB C 487 37.433 37.433 38.400 -0.967 18462 3109 1 5 . 1 1 487 487 ILE H H 487 8.549 8.549 8.522 0.027 18462 3110 1 5 . 1 1 488 488 VAL N N 488 129.307 129.307 128.328 0.979 18462 3111 1 5 . 1 1 488 488 VAL HA H 488 4.304 4.304 4.102 0.202 18462 3112 1 5 . 1 1 488 488 VAL C C 488 176.678 176.678 174.904 1.774 18462 3113 1 5 . 1 1 488 488 VAL CA C 488 60.868 60.868 60.813 0.055 18462 3114 1 5 . 1 1 488 488 VAL CB C 488 33.681 33.681 34.466 -0.785 18462 3115 1 5 . 1 1 488 488 VAL H H 488 9.456 9.456 8.609 0.847 18462 3116 1 5 . 1 1 489 489 ASP N N 489 128.884 128.884 127.557 1.327 18462 3117 1 5 . 1 1 489 489 ASP HA H 489 4.301 4.301 4.254 0.047 18462 3118 1 5 . 1 1 489 489 ASP C C 489 176.084 176.084 176.822 -0.738 18462 3119 1 5 . 1 1 489 489 ASP CA C 489 54.537 54.537 54.765 -0.228 18462 3120 1 5 . 1 1 489 489 ASP CB C 489 39.074 39.074 40.121 -1.047 18462 3121 1 5 . 1 1 489 489 ASP H H 489 9.144 9.144 9.011 0.133 18462 3122 1 5 . 1 1 490 490 GLY N N 490 102.410 102.410 104.742 -2.332 18462 3123 1 5 . 1 1 490 490 GLY C C 490 175.998 175.998 174.326 1.672 18462 3124 1 5 . 1 1 490 490 GLY CA C 490 44.818 44.818 45.103 -0.285 18462 3125 1 5 . 1 1 490 490 GLY H H 490 8.210 8.210 8.196 0.014 18462 3126 1 5 . 1 1 491 491 ARG N N 491 122.605 122.605 121.998 0.607 18462 3127 1 5 . 1 1 491 491 ARG HA H 491 4.597 4.597 4.534 0.063 18462 3128 1 5 . 1 1 491 491 ARG C C 491 173.256 173.256 175.101 -1.845 18462 3129 1 5 . 1 1 491 491 ARG CA C 491 53.610 53.610 55.069 -1.459 18462 3130 1 5 . 1 1 491 491 ARG CB C 491 32.040 32.040 31.465 0.575 18462 3131 1 5 . 1 1 491 491 ARG H H 491 7.938 7.938 7.751 0.187 18462 3132 1 5 . 1 1 492 492 VAL N N 492 123.769 123.769 123.397 0.372 18462 3133 1 5 . 1 1 492 492 VAL HA H 492 4.128 4.128 3.817 0.311 18462 3134 1 5 . 1 1 492 492 VAL C C 492 173.470 173.470 175.165 -1.695 18462 3135 1 5 . 1 1 492 492 VAL CA C 492 62.210 62.210 62.473 -0.263 18462 3136 1 5 . 1 1 492 492 VAL CB C 492 32.040 32.040 31.471 0.569 18462 3137 1 5 . 1 1 492 492 VAL H H 492 8.157 8.157 8.491 -0.334 18462 3138 1 5 . 1 1 493 493 TYR N N 493 124.842 124.842 127.185 -2.343 18462 3139 1 5 . 1 1 493 493 TYR HA H 493 4.632 4.632 4.827 -0.195 18462 3140 1 5 . 1 1 493 493 TYR C C 493 174.288 174.288 175.669 -1.381 18462 3141 1 5 . 1 1 493 493 TYR CA C 493 56.308 56.308 53.943 2.365 18462 3142 1 5 . 1 1 493 493 TYR CB C 493 40.481 40.481 38.423 2.058 18462 3143 1 5 . 1 1 493 493 TYR H H 493 8.981 8.981 8.704 0.277 18462 3144 1 5 . 1 1 494 494 TYR N N 494 120.511 120.511 123.651 -3.140 18462 3145 1 5 . 1 1 494 494 TYR HA H 494 4.763 4.763 4.951 -0.188 18462 3146 1 5 . 1 1 494 494 TYR C C 494 173.811 173.811 175.856 -2.045 18462 3147 1 5 . 1 1 494 494 TYR CA C 494 56.764 56.764 57.845 -1.081 18462 3148 1 5 . 1 1 494 494 TYR CB C 494 38.722 38.722 38.036 0.686 18462 3149 1 5 . 1 1 494 494 TYR H H 494 9.235 9.235 8.503 0.732 18462 3150 1 5 . 1 1 495 495 ILE N N 495 124.930 124.930 123.139 1.791 18462 3151 1 5 . 1 1 495 495 ILE HA H 495 4.780 4.780 4.810 -0.030 18462 3152 1 5 . 1 1 495 495 ILE C C 495 174.764 174.764 175.614 -0.850 18462 3153 1 5 . 1 1 495 495 ILE CA C 495 57.714 57.714 59.237 -1.523 18462 3154 1 5 . 1 1 495 495 ILE CB C 495 36.729 36.729 40.430 -3.701 18462 3155 1 5 . 1 1 495 495 ILE H H 495 9.136 9.136 9.162 -0.026 18462 3156 1 5 . 1 1 496 496 CYS N N 496 127.535 127.535 127.478 0.057 18462 3157 1 5 . 1 1 496 496 CYS HA H 496 4.745 4.745 4.770 -0.025 18462 3158 1 5 . 1 1 496 496 CYS C C 496 176.128 176.128 176.933 -0.805 18462 3159 1 5 . 1 1 496 496 CYS CA C 496 60.574 60.574 58.916 1.658 18462 3160 1 5 . 1 1 496 496 CYS CB C 496 29.227 29.227 28.165 1.062 18462 3161 1 5 . 1 1 496 496 CYS H H 496 9.016 9.016 8.616 0.400 18462 3162 1 5 . 1 1 497 497 ILE N N 497 129.645 129.645 126.388 3.257 18462 3163 1 5 . 1 1 497 497 ILE HA H 497 4.176 4.176 4.159 0.017 18462 3164 1 5 . 1 1 497 497 ILE C C 497 177.925 177.925 176.749 1.176 18462 3165 1 5 . 1 1 497 497 ILE CA C 497 63.447 63.447 64.567 -1.120 18462 3166 1 5 . 1 1 497 497 ILE CB C 497 39.543 39.543 37.761 1.782 18462 3167 1 5 . 1 1 497 497 ILE H H 497 8.295 8.295 8.356 -0.061 18462 3168 1 5 . 1 1 498 498 VAL N N 498 123.791 123.791 122.104 1.687 18462 3169 1 5 . 1 1 498 498 VAL HA H 498 3.939 3.939 3.758 0.181 18462 3170 1 5 . 1 1 498 498 VAL C C 498 176.127 176.127 177.449 -1.322 18462 3171 1 5 . 1 1 498 498 VAL CA C 498 64.619 64.619 65.662 -1.043 18462 3172 1 5 . 1 1 498 498 VAL CB C 498 32.275 32.275 31.600 0.675 18462 3173 1 5 . 1 1 498 498 VAL H H 498 8.993 8.993 8.251 0.742 18462 3174 1 5 . 1 1 499 499 CYS N N 499 117.267 117.267 112.177 5.090 18462 3175 1 5 . 1 1 499 499 CYS HA H 499 5.157 5.157 4.872 0.285 18462 3176 1 5 . 1 1 499 499 CYS C C 499 177.106 177.106 174.923 2.183 18462 3177 1 5 . 1 1 499 499 CYS CA C 499 57.820 57.820 57.766 0.054 18462 3178 1 5 . 1 1 499 499 CYS CB C 499 31.571 31.571 29.344 2.227 18462 3179 1 5 . 1 1 499 499 CYS H H 499 8.307 8.307 7.956 0.351 18462 3180 1 5 . 1 1 500 500 LYS N N 500 117.950 117.950 118.948 -0.998 18462 3181 1 5 . 1 1 500 500 LYS HA H 500 4.306 4.306 4.077 0.229 18462 3182 1 5 . 1 1 500 500 LYS C C 500 175.869 175.869 175.436 0.433 18462 3183 1 5 . 1 1 500 500 LYS CA C 500 57.585 57.585 57.210 0.375 18462 3184 1 5 . 1 1 500 500 LYS CB C 500 28.289 28.289 29.698 -1.409 18462 3185 1 5 . 1 1 500 500 LYS H H 500 8.169 8.169 8.220 -0.051 18462 3186 1 5 . 1 1 501 501 ARG N N 501 121.270 121.270 119.695 1.575 18462 3187 1 5 . 1 1 501 501 ARG HA H 501 4.090 4.090 4.206 -0.116 18462 3188 1 5 . 1 1 501 501 ARG C C 501 175.587 175.587 175.627 -0.040 18462 3189 1 5 . 1 1 501 501 ARG CA C 501 58.289 58.289 55.877 2.412 18462 3190 1 5 . 1 1 501 501 ARG CB C 501 29.694 29.694 31.249 -1.555 18462 3191 1 5 . 1 1 501 501 ARG H H 501 8.071 8.071 7.758 0.313 18462 3192 1 5 . 1 1 502 502 SER N N 502 112.997 112.997 117.697 -4.700 18462 3193 1 5 . 1 1 502 502 SER HA H 502 5.003 5.003 4.699 0.304 18462 3194 1 5 . 1 1 502 502 SER C C 502 174.417 174.417 173.152 1.265 18462 3195 1 5 . 1 1 502 502 SER CA C 502 55.475 55.475 57.133 -1.658 18462 3196 1 5 . 1 1 502 502 SER CB C 502 65.088 65.088 64.460 0.628 18462 3197 1 5 . 1 1 502 502 SER H H 502 7.553 7.553 8.263 -0.710 18462 3198 1 5 . 1 1 503 503 TYR N N 503 121.115 121.115 122.157 -1.042 18462 3199 1 5 . 1 1 503 503 TYR HA H 503 4.996 4.996 4.655 0.341 18462 3200 1 5 . 1 1 503 503 TYR C C 503 173.707 173.707 175.379 -1.672 18462 3201 1 5 . 1 1 503 503 TYR CA C 503 57.585 57.585 57.668 -0.083 18462 3202 1 5 . 1 1 503 503 TYR CB C 503 42.244 42.244 41.662 0.582 18462 3203 1 5 . 1 1 503 503 TYR H H 503 8.958 8.958 8.607 0.351 18462 3204 1 5 . 1 1 504 504 VAL N N 504 119.390 119.390 120.440 -1.050 18462 3205 1 5 . 1 1 504 504 VAL HA H 504 4.376 4.376 3.985 0.391 18462 3206 1 5 . 1 1 504 504 VAL C C 504 176.390 176.390 175.510 0.880 18462 3207 1 5 . 1 1 504 504 VAL CA C 504 62.275 62.275 64.203 -1.928 18462 3208 1 5 . 1 1 504 504 VAL CB C 504 33.025 33.025 32.525 0.500 18462 3209 1 5 . 1 1 504 504 VAL H H 504 9.988 9.988 8.541 1.447 18462 3210 1 5 . 1 1 505 505 CYS N N 505 113.800 113.800 115.873 -2.073 18462 3211 1 5 . 1 1 505 505 CYS HA H 505 4.998 4.998 4.814 0.184 18462 3212 1 5 . 1 1 505 505 CYS C C 505 176.603 176.603 175.168 1.435 18462 3213 1 5 . 1 1 505 505 CYS CA C 505 56.647 56.647 57.529 -0.881 18462 3214 1 5 . 1 1 505 505 CYS CB C 505 38.406 38.406 30.849 7.557 18462 3215 1 5 . 1 1 505 505 CYS H H 505 7.518 7.518 7.826 -0.308 18462 3216 1 5 . 1 1 506 506 LEU N N 506 129.535 129.535 125.727 3.808 18462 3217 1 5 . 1 1 506 506 LEU HA H 506 3.325 3.325 3.560 -0.235 18462 3218 1 5 . 1 1 506 506 LEU C C 506 174.727 174.727 178.248 -3.521 18462 3219 1 5 . 1 1 506 506 LEU CA C 506 56.647 56.647 58.311 -1.664 18462 3220 1 5 . 1 1 506 506 LEU CB C 506 39.308 39.308 41.099 -1.791 18462 3221 1 5 . 1 1 506 506 LEU H H 506 8.602 8.602 8.732 -0.130 18462 3222 1 5 . 1 1 507 507 THR N N 507 108.833 108.833 109.642 -0.809 18462 3223 1 5 . 1 1 507 507 THR HA H 507 3.820 3.820 3.827 -0.007 18462 3224 1 5 . 1 1 507 507 THR C C 507 178.905 178.905 176.919 1.986 18462 3225 1 5 . 1 1 507 507 THR CA C 507 64.150 64.150 65.765 -1.615 18462 3226 1 5 . 1 1 507 507 THR CB C 507 66.260 66.260 68.117 -1.857 18462 3227 1 5 . 1 1 507 507 THR H H 507 8.087 8.087 8.205 -0.118 18462 3228 1 5 . 1 1 508 508 SER N N 508 119.009 119.009 118.684 0.325 18462 3229 1 5 . 1 1 508 508 SER HA H 508 4.123 4.123 4.031 0.092 18462 3230 1 5 . 1 1 508 508 SER C C 508 178.467 178.467 176.047 2.420 18462 3231 1 5 . 1 1 508 508 SER CA C 508 59.461 59.461 61.112 -1.651 18462 3232 1 5 . 1 1 508 508 SER CB C 508 62.978 62.978 62.910 0.069 18462 3233 1 5 . 1 1 508 508 SER H H 508 7.230 7.230 7.593 -0.363 18462 3234 1 5 . 1 1 509 509 LEU N N 509 127.365 127.365 123.483 3.882 18462 3235 1 5 . 1 1 509 509 LEU HA H 509 3.216 3.216 3.460 -0.244 18462 3236 1 5 . 1 1 509 509 LEU C C 509 176.740 176.740 177.698 -0.958 18462 3237 1 5 . 1 1 509 509 LEU CA C 509 57.351 57.351 57.974 -0.623 18462 3238 1 5 . 1 1 509 509 LEU CB C 509 39.074 39.074 41.721 -2.647 18462 3239 1 5 . 1 1 509 509 LEU H H 509 7.114 7.114 7.215 -0.101 18462 3240 1 5 . 1 1 510 510 ARG N N 510 119.955 119.955 118.098 1.857 18462 3241 1 5 . 1 1 510 510 ARG HA H 510 3.843 3.843 3.956 -0.113 18462 3242 1 5 . 1 1 510 510 ARG C C 510 178.472 178.472 178.862 -0.390 18462 3243 1 5 . 1 1 510 510 ARG CA C 510 61.766 61.766 57.802 3.964 18462 3244 1 5 . 1 1 510 510 ARG CB C 510 28.992 28.992 28.788 0.204 18462 3245 1 5 . 1 1 510 510 ARG H H 510 8.100 8.100 8.511 -0.411 18462 3246 1 5 . 1 1 511 511 ARG N N 511 120.947 120.947 119.180 1.767 18462 3247 1 5 . 1 1 511 511 ARG HA H 511 4.078 4.078 3.846 0.232 18462 3248 1 5 . 1 1 511 511 ARG C C 511 178.262 178.262 177.741 0.521 18462 3249 1 5 . 1 1 511 511 ARG CA C 511 59.054 59.054 59.235 -0.181 18462 3250 1 5 . 1 1 511 511 ARG CB C 511 29.695 29.695 29.908 -0.213 18462 3251 1 5 . 1 1 511 511 ARG H H 511 7.802 7.802 7.984 -0.182 18462 3252 1 5 . 1 1 512 512 HIS N N 512 116.820 116.820 117.538 -0.718 18462 3253 1 5 . 1 1 512 512 HIS HA H 512 4.219 4.219 4.252 -0.033 18462 3254 1 5 . 1 1 512 512 HIS C C 512 178.069 178.069 177.448 0.621 18462 3255 1 5 . 1 1 512 512 HIS CA C 512 57.507 57.507 58.715 -1.208 18462 3256 1 5 . 1 1 512 512 HIS CB C 512 27.390 27.390 30.066 -2.676 18462 3257 1 5 . 1 1 512 512 HIS H H 512 7.809 7.809 7.844 -0.035 18462 3258 1 5 . 1 1 513 513 PHE N N 513 118.415 118.415 121.119 -2.704 18462 3259 1 5 . 1 1 513 513 PHE HA H 513 3.620 3.620 3.981 -0.361 18462 3260 1 5 . 1 1 513 513 PHE C C 513 176.026 176.026 176.599 -0.573 18462 3261 1 5 . 1 1 513 513 PHE CA C 513 61.102 61.102 61.578 -0.475 18462 3262 1 5 . 1 1 513 513 PHE CB C 513 38.996 38.996 39.026 -0.030 18462 3263 1 5 . 1 1 513 513 PHE H H 513 8.898 8.898 8.846 0.052 18462 3264 1 5 . 1 1 514 514 ASN N N 514 114.080 114.080 118.796 -4.716 18462 3265 1 5 . 1 1 514 514 ASN HA H 514 4.988 4.988 4.342 0.646 18462 3266 1 5 . 1 1 514 514 ASN C C 514 176.236 176.236 177.302 -1.066 18462 3267 1 5 . 1 1 514 514 ASN CA C 514 55.006 55.006 55.697 -0.691 18462 3268 1 5 . 1 1 514 514 ASN CB C 514 40.129 40.129 38.529 1.600 18462 3269 1 5 . 1 1 514 514 ASN H H 514 8.678 8.678 7.710 0.968 18462 3270 1 5 . 1 1 515 515 ILE N N 515 114.035 114.035 118.153 -4.118 18462 3271 1 5 . 1 1 515 515 ILE HA H 515 2.997 2.997 3.164 -0.167 18462 3272 1 5 . 1 1 515 515 ILE C C 515 176.292 176.292 175.898 0.394 18462 3273 1 5 . 1 1 515 515 ILE CA C 515 63.447 63.447 63.398 0.049 18462 3274 1 5 . 1 1 515 515 ILE CB C 515 37.198 37.198 37.486 -0.288 18462 3275 1 5 . 1 1 515 515 ILE H H 515 7.919 7.919 7.791 0.128 18462 3276 1 5 . 1 1 516 516 HIS N N 516 113.136 113.136 117.572 -4.436 18462 3277 1 5 . 1 1 516 516 HIS HA H 516 4.767 4.767 4.571 0.196 18462 3278 1 5 . 1 1 516 516 HIS C C 516 175.870 175.870 177.229 -1.359 18462 3279 1 5 . 1 1 516 516 HIS CA C 516 54.542 54.542 58.257 -3.715 18462 3280 1 5 . 1 1 516 516 HIS CB C 516 27.585 27.585 30.268 -2.683 18462 3281 1 5 . 1 1 516 516 HIS H H 516 7.170 7.170 7.565 -0.395 18462 3282 1 5 . 1 1 517 517 SER N N 517 112.852 112.852 114.039 -1.187 18462 3283 1 5 . 1 1 517 517 SER HA H 517 4.359 4.359 4.308 0.051 18462 3284 1 5 . 1 1 517 517 SER C C 517 177.067 177.067 175.435 1.632 18462 3285 1 5 . 1 1 517 517 SER CA C 517 58.758 58.758 59.571 -0.813 18462 3286 1 5 . 1 1 517 517 SER CB C 517 63.447 63.447 64.250 -0.803 18462 3287 1 5 . 1 1 517 517 SER H H 517 7.886 7.886 7.809 0.077 18462 3288 1 5 . 1 1 518 518 TRP N N 518 122.824 122.824 121.020 1.804 18462 3289 1 5 . 1 1 518 518 TRP HA H 518 4.005 4.005 4.370 -0.365 18462 3290 1 5 . 1 1 518 518 TRP C C 518 175.133 175.133 176.749 -1.616 18462 3291 1 5 . 1 1 518 518 TRP CA C 518 57.820 57.820 58.493 -0.673 18462 3292 1 5 . 1 1 518 518 TRP CB C 518 25.710 25.710 26.553 -0.843 18462 3293 1 5 . 1 1 518 518 TRP H H 518 9.274 9.274 7.855 1.419 18462 3294 1 5 . 1 1 519 519 GLU N N 519 119.673 119.673 117.102 2.571 18462 3295 1 5 . 1 1 519 519 GLU HA H 519 4.042 4.042 4.171 -0.129 18462 3296 1 5 . 1 1 519 519 GLU C C 519 175.353 175.353 176.427 -1.074 18462 3297 1 5 . 1 1 519 519 GLU CA C 519 58.758 58.758 58.022 0.736 18462 3298 1 5 . 1 1 519 519 GLU CB C 519 29.695 29.695 30.027 -0.332 18462 3299 1 5 . 1 1 519 519 GLU H H 519 7.828 7.828 7.861 -0.033 18462 3300 1 5 . 1 1 520 520 LYS N N 520 118.358 118.358 119.983 -1.625 18462 3301 1 5 . 1 1 520 520 LYS HA H 520 4.544 4.544 4.401 0.143 18462 3302 1 5 . 1 1 520 520 LYS C C 520 178.036 178.036 174.863 3.173 18462 3303 1 5 . 1 1 520 520 LYS CA C 520 53.845 53.845 55.016 -1.171 18462 3304 1 5 . 1 1 520 520 LYS CB C 520 34.385 34.385 34.235 0.150 18462 3305 1 5 . 1 1 520 520 LYS H H 520 9.085 9.085 8.023 1.062 18462 3306 1 5 . 1 1 521 521 LYS N N 521 118.859 118.859 121.714 -2.855 18462 3307 1 5 . 1 1 521 521 LYS HA H 521 4.658 4.658 4.636 0.022 18462 3308 1 5 . 1 1 521 521 LYS C C 521 175.168 175.168 175.902 -0.734 18462 3309 1 5 . 1 1 521 521 LYS CA C 521 54.537 54.537 54.202 0.335 18462 3310 1 5 . 1 1 521 521 LYS CB C 521 35.323 35.323 33.455 1.868 18462 3311 1 5 . 1 1 521 521 LYS H H 521 8.238 8.238 8.231 0.007 18462 3312 1 5 . 1 1 522 522 TYR N N 522 117.305 117.305 121.250 -3.945 18462 3313 1 5 . 1 1 522 522 TYR HA H 522 5.028 5.028 4.901 0.127 18462 3314 1 5 . 1 1 522 522 TYR C C 522 175.016 175.016 174.170 0.846 18462 3315 1 5 . 1 1 522 522 TYR CA C 522 54.537 54.537 55.283 -0.746 18462 3316 1 5 . 1 1 522 522 TYR CB C 522 37.198 37.198 38.974 -1.776 18462 3317 1 5 . 1 1 522 522 TYR H H 522 7.788 7.788 8.492 -0.704 18462 3318 1 5 . 1 1 523 523 PRO HA H 523 5.026 5.026 5.039 -0.013 18462 3319 1 5 . 1 1 523 523 PRO CA C 523 61.806 61.806 62.327 -0.521 18462 3320 1 5 . 1 1 523 523 PRO CB C 523 31.839 31.839 32.527 -0.688 18462 3321 1 5 . 1 1 524 524 CYS N N 524 126.569 126.569 122.974 3.595 18462 3322 1 5 . 1 1 524 524 CYS HA H 524 4.739 4.739 4.783 -0.044 18462 3323 1 5 . 1 1 524 524 CYS C C 524 176.841 176.841 176.404 0.437 18462 3324 1 5 . 1 1 524 524 CYS CA C 524 60.290 60.290 57.398 2.892 18462 3325 1 5 . 1 1 524 524 CYS CB C 524 29.344 29.344 29.738 -0.393 18462 3326 1 5 . 1 1 524 524 CYS H H 524 9.210 9.210 8.391 0.819 18462 3327 1 5 . 1 1 525 525 ARG N N 525 130.294 130.294 126.151 4.143 18462 3328 1 5 . 1 1 525 525 ARG HA H 525 4.285 4.285 4.085 0.200 18462 3329 1 5 . 1 1 525 525 ARG C C 525 176.390 176.390 177.151 -0.761 18462 3330 1 5 . 1 1 525 525 ARG CA C 525 58.043 58.043 58.304 -0.261 18462 3331 1 5 . 1 1 525 525 ARG CB C 525 27.576 27.576 29.976 -2.400 18462 3332 1 5 . 1 1 525 525 ARG H H 525 9.724 9.724 9.486 0.238 18462 3333 1 5 . 1 1 526 526 TYR N N 526 122.622 122.622 118.176 4.446 18462 3334 1 5 . 1 1 526 526 TYR HA H 526 4.517 4.517 4.383 0.134 18462 3335 1 5 . 1 1 526 526 TYR C C 526 176.659 176.659 175.751 0.908 18462 3336 1 5 . 1 1 526 526 TYR CA C 526 58.054 58.054 58.218 -0.164 18462 3337 1 5 . 1 1 526 526 TYR CB C 526 37.628 37.628 38.289 -0.661 18462 3338 1 5 . 1 1 526 526 TYR H H 526 10.439 10.439 8.079 2.360 18462 3339 1 5 . 1 1 527 527 CYS N N 527 122.873 122.873 116.431 6.442 18462 3340 1 5 . 1 1 527 527 CYS HA H 527 5.153 5.153 4.935 0.218 18462 3341 1 5 . 1 1 527 527 CYS C C 527 175.243 175.243 175.086 0.157 18462 3342 1 5 . 1 1 527 527 CYS CA C 527 58.148 58.148 56.220 1.928 18462 3343 1 5 . 1 1 527 527 CYS CB C 527 30.164 30.164 31.711 -1.547 18462 3344 1 5 . 1 1 527 527 CYS H H 527 8.462 8.462 7.748 0.714 18462 3345 1 5 . 1 1 528 528 GLU N N 528 115.906 115.906 120.161 -4.255 18462 3346 1 5 . 1 1 528 528 GLU HA H 528 4.453 4.453 4.298 0.155 18462 3347 1 5 . 1 1 528 528 GLU C C 528 173.484 173.484 175.799 -2.315 18462 3348 1 5 . 1 1 528 528 GLU CA C 528 57.390 57.390 56.247 1.143 18462 3349 1 5 . 1 1 528 528 GLU CB C 528 29.608 29.608 28.011 1.597 18462 3350 1 5 . 1 1 528 528 GLU H H 528 8.704 8.704 8.871 -0.167 18462 3351 1 5 . 1 1 529 529 LYS N N 529 125.068 125.068 120.349 4.719 18462 3352 1 5 . 1 1 529 529 LYS HA H 529 4.041 4.041 4.378 -0.337 18462 3353 1 5 . 1 1 529 529 LYS C C 529 176.881 176.881 174.875 2.006 18462 3354 1 5 . 1 1 529 529 LYS CA C 529 57.585 57.585 55.694 1.891 18462 3355 1 5 . 1 1 529 529 LYS CB C 529 33.212 33.212 34.096 -0.883 18462 3356 1 5 . 1 1 529 529 LYS H H 529 8.696 8.696 7.727 0.969 18462 3357 1 5 . 1 1 530 530 VAL N N 530 119.525 119.525 120.060 -0.535 18462 3358 1 5 . 1 1 530 530 VAL HA H 530 4.541 4.541 4.472 0.069 18462 3359 1 5 . 1 1 530 530 VAL C C 530 175.118 175.118 175.240 -0.122 18462 3360 1 5 . 1 1 530 530 VAL CA C 530 60.633 60.633 60.966 -0.333 18462 3361 1 5 . 1 1 530 530 VAL CB C 530 34.150 34.150 33.925 0.225 18462 3362 1 5 . 1 1 530 530 VAL H H 530 8.054 8.054 8.306 -0.252 18462 3363 1 5 . 1 1 531 531 PHE N N 531 122.568 122.568 126.134 -3.566 18462 3364 1 5 . 1 1 531 531 PHE C C 531 174.185 174.185 174.726 -0.541 18462 3365 1 5 . 1 1 531 531 PHE CA C 531 55.586 55.586 55.268 0.318 18462 3366 1 5 . 1 1 531 531 PHE CB C 531 41.184 41.184 40.352 0.832 18462 3367 1 5 . 1 1 531 531 PHE H H 531 8.167 8.167 8.896 -0.729 18462 3368 1 5 . 1 1 532 532 PRO HA H 532 4.359 4.359 3.954 0.405 18462 3369 1 5 . 1 1 532 532 PRO CA C 532 62.216 62.216 62.890 -0.674 18462 3370 1 5 . 1 1 532 532 PRO CB C 532 29.930 29.930 31.784 -1.854 18462 3371 1 5 . 1 1 533 533 LEU N N 533 122.335 122.335 118.105 4.230 18462 3372 1 5 . 1 1 533 533 LEU HA H 533 4.086 4.086 4.087 -0.001 18462 3373 1 5 . 1 1 533 533 LEU C C 533 175.091 175.091 176.595 -1.504 18462 3374 1 5 . 1 1 533 533 LEU CA C 533 55.006 55.006 52.991 2.015 18462 3375 1 5 . 1 1 533 533 LEU CB C 533 43.529 43.529 44.510 -0.981 18462 3376 1 5 . 1 1 533 533 LEU H H 533 6.587 6.587 7.370 -0.783 18462 3377 1 5 . 1 1 534 534 ALA N N 534 126.722 126.722 125.414 1.308 18462 3378 1 5 . 1 1 534 534 ALA HA H 534 2.993 2.993 3.356 -0.363 18462 3379 1 5 . 1 1 534 534 ALA C C 534 175.439 175.439 178.968 -3.529 18462 3380 1 5 . 1 1 534 534 ALA CA C 534 54.537 54.537 54.934 -0.397 18462 3381 1 5 . 1 1 534 534 ALA CB C 534 18.452 18.452 17.448 1.004 18462 3382 1 5 . 1 1 534 534 ALA H H 534 7.698 7.698 7.995 -0.297 18462 3383 1 5 . 1 1 535 535 GLU N N 535 119.354 119.354 119.034 0.320 18462 3384 1 5 . 1 1 535 535 GLU HA H 535 4.675 4.675 4.029 0.646 18462 3385 1 5 . 1 1 535 535 GLU C C 535 180.126 180.126 178.688 1.438 18462 3386 1 5 . 1 1 535 535 GLU CA C 535 58.526 58.526 59.954 -1.428 18462 3387 1 5 . 1 1 535 535 GLU H H 535 9.535 9.535 8.637 0.898 18462 3388 1 5 . 1 1 536 536 TYR N N 536 114.592 114.592 117.962 -3.370 18462 3389 1 5 . 1 1 536 536 TYR HA H 536 4.368 4.368 4.127 0.241 18462 3390 1 5 . 1 1 536 536 TYR C C 536 178.004 178.004 177.676 0.328 18462 3391 1 5 . 1 1 536 536 TYR CA C 536 56.179 56.179 58.392 -2.213 18462 3392 1 5 . 1 1 536 536 TYR CB C 536 35.556 35.556 37.144 -1.588 18462 3393 1 5 . 1 1 536 536 TYR H H 536 6.552 6.552 7.943 -1.391 18462 3394 1 5 . 1 1 537 537 ARG N N 537 119.820 119.820 119.782 0.038 18462 3395 1 5 . 1 1 537 537 ARG HA H 537 3.209 3.209 3.480 -0.271 18462 3396 1 5 . 1 1 537 537 ARG C C 537 179.469 179.469 178.243 1.226 18462 3397 1 5 . 1 1 537 537 ARG CA C 537 59.131 59.131 59.822 -0.691 18462 3398 1 5 . 1 1 537 537 ARG CB C 537 27.179 27.179 30.020 -2.841 18462 3399 1 5 . 1 1 537 537 ARG H H 537 7.016 7.016 7.309 -0.293 18462 3400 1 5 . 1 1 538 538 THR N N 538 120.080 120.080 116.795 3.285 18462 3401 1 5 . 1 1 538 538 THR HA H 538 3.939 3.939 4.071 -0.132 18462 3402 1 5 . 1 1 538 538 THR C C 538 177.538 177.538 176.919 0.619 18462 3403 1 5 . 1 1 538 538 THR CA C 538 66.026 66.026 66.610 -0.584 18462 3404 1 5 . 1 1 538 538 THR CB C 538 66.964 66.964 68.355 -1.391 18462 3405 1 5 . 1 1 538 538 THR H H 538 8.410 8.410 8.257 0.153 18462 3406 1 5 . 1 1 539 539 LYS N N 539 117.252 117.252 119.739 -2.487 18462 3407 1 5 . 1 1 539 539 LYS HA H 539 4.054 4.054 4.086 -0.032 18462 3408 1 5 . 1 1 539 539 LYS C C 539 176.139 176.139 179.182 -3.043 18462 3409 1 5 . 1 1 539 539 LYS CA C 539 57.116 57.116 58.620 -1.504 18462 3410 1 5 . 1 1 539 539 LYS CB C 539 31.859 31.859 31.664 0.195 18462 3411 1 5 . 1 1 539 539 LYS H H 539 8.012 8.012 8.493 -0.481 18462 3412 1 5 . 1 1 540 540 HIS N N 540 118.983 118.983 120.582 -1.599 18462 3413 1 5 . 1 1 540 540 HIS HA H 540 4.548 4.548 4.439 0.109 18462 3414 1 5 . 1 1 540 540 HIS C C 540 179.568 179.568 177.646 1.922 18462 3415 1 5 . 1 1 540 540 HIS CA C 540 58.758 58.758 59.605 -0.847 18462 3416 1 5 . 1 1 540 540 HIS CB C 540 28.260 28.260 30.031 -1.771 18462 3417 1 5 . 1 1 540 540 HIS H H 540 7.536 7.536 7.966 -0.430 18462 3418 1 5 . 1 1 541 541 GLU N N 541 122.073 122.073 120.056 2.017 18462 3419 1 5 . 1 1 541 541 GLU HA H 541 4.215 4.215 4.388 -0.173 18462 3420 1 5 . 1 1 541 541 GLU C C 541 177.829 177.829 179.276 -1.447 18462 3421 1 5 . 1 1 541 541 GLU CA C 541 61.181 61.181 59.456 1.724 18462 3422 1 5 . 1 1 541 541 GLU CB C 541 29.712 29.712 29.752 -0.040 18462 3423 1 5 . 1 1 541 541 GLU H H 541 9.540 9.540 8.650 0.890 18462 3424 1 5 . 1 1 542 542 ILE N N 542 121.307 121.307 121.191 0.116 18462 3425 1 5 . 1 1 542 542 ILE HA H 542 4.335 4.335 3.647 0.688 18462 3426 1 5 . 1 1 542 542 ILE C C 542 179.666 179.666 177.446 2.220 18462 3427 1 5 . 1 1 542 542 ILE CA C 542 61.806 61.806 66.178 -4.372 18462 3428 1 5 . 1 1 542 542 ILE CB C 542 36.729 36.729 38.025 -1.296 18462 3429 1 5 . 1 1 542 542 ILE H H 542 8.275 8.275 8.553 -0.278 18462 3430 1 5 . 1 1 543 543 HIS N N 543 118.514 118.514 118.097 0.417 18462 3431 1 5 . 1 1 543 543 HIS HA H 543 4.257 4.257 4.112 0.145 18462 3432 1 5 . 1 1 543 543 HIS C C 543 178.283 178.283 177.406 0.877 18462 3433 1 5 . 1 1 543 543 HIS CA C 543 58.758 58.758 58.823 -0.065 18462 3434 1 5 . 1 1 543 543 HIS CB C 543 26.882 26.882 30.114 -3.232 18462 3435 1 5 . 1 1 543 543 HIS H H 543 7.744 7.744 7.681 0.063 18462 3436 1 5 . 1 1 544 544 HIS N N 544 115.805 115.805 116.686 -0.881 18462 3437 1 5 . 1 1 544 544 HIS HA H 544 4.317 4.317 4.269 0.048 18462 3438 1 5 . 1 1 544 544 HIS C C 544 178.058 178.058 176.908 1.150 18462 3439 1 5 . 1 1 544 544 HIS CA C 544 58.054 58.054 58.881 -0.827 18462 3440 1 5 . 1 1 544 544 HIS CB C 544 36.882 36.882 29.973 6.909 18462 3441 1 5 . 1 1 544 544 HIS H H 544 7.537 7.537 7.772 -0.235 18462 3442 1 5 . 1 1 545 545 THR N N 545 109.469 109.469 111.781 -2.312 18462 3443 1 5 . 1 1 545 545 THR HA H 545 4.184 4.184 3.983 0.201 18462 3444 1 5 . 1 1 545 545 THR C C 545 177.277 177.277 175.645 1.632 18462 3445 1 5 . 1 1 545 545 THR CA C 545 62.509 62.509 63.817 -1.308 18462 3446 1 5 . 1 1 545 545 THR CB C 545 68.839 68.839 69.766 -0.927 18462 3447 1 5 . 1 1 545 545 THR H H 545 7.991 7.991 7.899 0.092 18462 3448 1 5 . 1 1 546 546 GLY N N 546 113.407 113.407 109.629 3.778 18462 3449 1 5 . 1 1 546 546 GLY C C 546 177.501 177.501 173.749 3.752 18462 3450 1 5 . 1 1 546 546 GLY CA C 546 44.935 44.935 45.048 -0.113 18462 3451 1 5 . 1 1 546 546 GLY H H 546 8.530 8.530 8.306 0.224 18462 3452 1 5 . 1 1 547 547 GLU N N 547 123.901 123.901 121.067 2.834 18462 3453 1 5 . 1 1 547 547 GLU HA H 547 3.913 3.913 4.160 -0.247 18462 3454 1 5 . 1 1 547 547 GLU C C 547 173.687 173.687 175.944 -2.257 18462 3455 1 5 . 1 1 547 547 GLU CA C 547 56.413 56.413 56.670 -0.257 18462 3456 1 5 . 1 1 547 547 GLU CB C 547 29.123 29.123 30.626 -1.503 18462 3457 1 5 . 1 1 547 547 GLU H H 547 7.301 7.301 7.767 -0.466 18462 3458 1 5 . 1 1 548 548 ARG N N 548 128.505 128.505 126.076 2.429 18462 3459 1 5 . 1 1 548 548 ARG HA H 548 4.444 4.444 4.502 -0.058 18462 3460 1 5 . 1 1 548 548 ARG C C 548 175.180 175.180 176.635 -1.455 18462 3461 1 5 . 1 1 548 548 ARG CA C 548 55.059 55.059 56.511 -1.452 18462 3462 1 5 . 1 1 548 548 ARG CB C 548 29.227 29.227 30.383 -1.156 18462 3463 1 5 . 1 1 548 548 ARG H H 548 8.752 8.752 8.621 0.131 18462 3464 1 5 . 1 1 549 549 ARG N N 549 121.815 121.815 120.285 1.530 18462 3465 1 5 . 1 1 549 549 ARG HA H 549 4.205 4.205 4.647 -0.442 18462 3466 1 5 . 1 1 549 549 ARG C C 549 175.850 175.850 175.689 0.161 18462 3467 1 5 . 1 1 549 549 ARG CA C 549 57.350 57.350 56.120 1.230 18462 3468 1 5 . 1 1 549 549 ARG CB C 549 32.980 32.980 32.374 0.606 18462 3469 1 5 . 1 1 549 549 ARG H H 549 9.440 9.440 8.877 0.563 18462 3470 1 5 . 1 1 550 550 TYR N N 550 116.087 116.087 122.037 -5.950 18462 3471 1 5 . 1 1 550 550 TYR C C 550 176.129 176.129 174.638 1.491 18462 3472 1 5 . 1 1 550 550 TYR CA C 550 58.169 58.169 57.780 0.389 18462 3473 1 5 . 1 1 550 550 TYR CB C 550 38.994 38.994 38.044 0.950 18462 3474 1 5 . 1 1 550 550 TYR H H 550 8.287 8.287 7.952 0.335 18462 3475 1 5 . 1 1 551 551 GLN N N 551 125.096 125.096 125.156 -0.060 18462 3476 1 5 . 1 1 551 551 GLN HA H 551 5.275 5.275 5.166 0.109 18462 3477 1 5 . 1 1 551 551 GLN C C 551 175.080 175.080 174.896 0.184 18462 3478 1 5 . 1 1 551 551 GLN CA C 551 53.610 53.610 54.302 -0.692 18462 3479 1 5 . 1 1 551 551 GLN CB C 551 31.152 31.152 32.239 -1.087 18462 3480 1 5 . 1 1 551 551 GLN H H 551 9.656 9.656 9.358 0.298 18462 3481 1 5 . 1 1 552 552 CYS N N 552 128.697 128.697 126.115 2.582 18462 3482 1 5 . 1 1 552 552 CYS HA H 552 4.584 4.584 4.820 -0.236 18462 3483 1 5 . 1 1 552 552 CYS C C 552 175.231 175.231 175.321 -0.090 18462 3484 1 5 . 1 1 552 552 CYS CA C 552 59.461 59.461 60.021 -0.560 18462 3485 1 5 . 1 1 552 552 CYS CB C 552 29.695 29.695 28.400 1.295 18462 3486 1 5 . 1 1 552 552 CYS H H 552 9.427 9.427 9.350 0.077 18462 3487 1 5 . 1 1 553 553 LEU N N 553 130.168 130.168 125.988 4.180 18462 3488 1 5 . 1 1 553 553 LEU HA H 553 4.396 4.396 4.489 -0.093 18462 3489 1 5 . 1 1 553 553 LEU C C 553 177.402 177.402 178.075 -0.673 18462 3490 1 5 . 1 1 553 553 LEU CA C 553 55.710 55.710 56.207 -0.497 18462 3491 1 5 . 1 1 553 553 LEU CB C 553 40.246 40.246 42.157 -1.911 18462 3492 1 5 . 1 1 553 553 LEU H H 553 8.632 8.632 9.031 -0.399 18462 3493 1 5 . 1 1 554 554 ALA N N 554 125.048 125.048 123.212 1.836 18462 3494 1 5 . 1 1 554 554 ALA HA H 554 4.295 4.295 4.130 0.165 18462 3495 1 5 . 1 1 554 554 ALA C C 554 177.657 177.657 178.162 -0.505 18462 3496 1 5 . 1 1 554 554 ALA CA C 554 53.610 53.610 54.318 -0.708 18462 3497 1 5 . 1 1 554 554 ALA CB C 554 16.577 16.577 18.842 -2.265 18462 3498 1 5 . 1 1 554 554 ALA H H 554 8.847 8.847 8.206 0.641 18462 3499 1 5 . 1 1 555 555 CYS N N 555 113.388 113.388 112.662 0.726 18462 3500 1 5 . 1 1 555 555 CYS HA H 555 5.299 5.299 5.003 0.296 18462 3501 1 5 . 1 1 555 555 CYS C C 555 178.854 178.854 175.848 3.006 18462 3502 1 5 . 1 1 555 555 CYS CA C 555 57.820 57.820 57.237 0.583 18462 3503 1 5 . 1 1 555 555 CYS CB C 555 31.665 31.665 29.447 2.218 18462 3504 1 5 . 1 1 555 555 CYS H H 555 8.146 8.146 7.834 0.312 18462 3505 1 5 . 1 1 556 556 GLY N N 556 114.264 114.264 109.798 4.466 18462 3506 1 5 . 1 1 556 556 GLY C C 556 176.084 176.084 174.700 1.384 18462 3507 1 5 . 1 1 556 556 GLY CA C 556 45.639 45.639 45.560 0.079 18462 3508 1 5 . 1 1 556 556 GLY H H 556 8.104 8.104 8.529 -0.425 18462 3509 1 5 . 1 1 557 557 LYS N N 557 123.318 123.318 121.211 2.107 18462 3510 1 5 . 1 1 557 557 LYS HA H 557 4.110 4.110 4.117 -0.007 18462 3511 1 5 . 1 1 557 557 LYS C C 557 174.300 174.300 175.675 -1.375 18462 3512 1 5 . 1 1 557 557 LYS CA C 557 57.585 57.585 56.715 0.869 18462 3513 1 5 . 1 1 557 557 LYS CB C 557 33.447 33.447 33.053 0.394 18462 3514 1 5 . 1 1 557 557 LYS H H 557 8.043 8.043 7.623 0.420 18462 3515 1 5 . 1 1 558 558 SER N N 558 115.947 115.947 116.681 -0.734 18462 3516 1 5 . 1 1 558 558 SER HA H 558 5.661 5.661 5.050 0.611 18462 3517 1 5 . 1 1 558 558 SER C C 558 174.321 174.321 173.330 0.991 18462 3518 1 5 . 1 1 558 558 SER CA C 558 56.179 56.179 57.308 -1.129 18462 3519 1 5 . 1 1 558 558 SER CB C 558 65.088 65.088 65.142 -0.054 18462 3520 1 5 . 1 1 558 558 SER H H 558 7.864 7.864 8.171 -0.307 18462 3521 1 5 . 1 1 559 559 PHE N N 559 117.815 117.815 120.738 -2.923 18462 3522 1 5 . 1 1 559 559 PHE HA H 559 4.781 4.781 4.785 -0.004 18462 3523 1 5 . 1 1 559 559 PHE C C 559 173.632 173.632 175.549 -1.917 18462 3524 1 5 . 1 1 559 559 PHE CA C 559 56.687 56.687 57.046 -0.359 18462 3525 1 5 . 1 1 559 559 PHE CB C 559 44.232 44.232 42.222 2.010 18462 3526 1 5 . 1 1 559 559 PHE H H 559 9.488 9.488 9.012 0.476 18462 3527 1 5 . 1 1 560 560 ILE N N 560 118.092 118.092 119.536 -1.444 18462 3528 1 5 . 1 1 560 560 ILE HA H 560 4.470 4.470 4.208 0.262 18462 3529 1 5 . 1 1 560 560 ILE C C 560 175.986 175.986 174.571 1.415 18462 3530 1 5 . 1 1 560 560 ILE CA C 560 62.040 62.040 62.722 -0.682 18462 3531 1 5 . 1 1 560 560 ILE CB C 560 39.308 39.308 38.477 0.831 18462 3532 1 5 . 1 1 560 560 ILE H H 560 9.306 9.306 8.536 0.770 18462 3533 1 5 . 1 1 561 561 ASN N N 561 114.751 114.751 112.574 2.177 18462 3534 1 5 . 1 1 561 561 ASN HA H 561 4.683 4.683 5.091 -0.408 18462 3535 1 5 . 1 1 561 561 ASN C C 561 175.350 175.350 174.572 0.778 18462 3536 1 5 . 1 1 561 561 ASN CA C 561 50.797 50.797 51.830 -1.033 18462 3537 1 5 . 1 1 561 561 ASN CB C 561 39.777 39.777 40.099 -0.322 18462 3538 1 5 . 1 1 561 561 ASN H H 561 7.387 7.387 7.708 -0.321 18462 3539 1 5 . 1 1 562 562 TYR N N 562 118.833 118.833 120.663 -1.830 18462 3540 1 5 . 1 1 562 562 TYR C C 562 172.730 172.730 176.885 -4.155 18462 3541 1 5 . 1 1 562 562 TYR CA C 562 59.907 59.907 62.059 -2.152 18462 3542 1 5 . 1 1 562 562 TYR CB C 562 38.480 38.480 38.390 0.090 18462 3543 1 5 . 1 1 562 562 TYR H H 562 8.243 8.243 8.839 -0.596 18462 3544 1 5 . 1 1 563 563 GLN N N 563 119.525 119.525 118.431 1.094 18462 3545 1 5 . 1 1 563 563 GLN HA H 563 3.720 3.720 3.926 -0.206 18462 3546 1 5 . 1 1 563 563 GLN C C 563 176.326 176.326 178.249 -1.923 18462 3547 1 5 . 1 1 563 563 GLN CA C 563 61.102 61.102 59.688 1.414 18462 3548 1 5 . 1 1 563 563 GLN CB C 563 25.450 25.450 27.756 -2.306 18462 3549 1 5 . 1 1 563 563 GLN H H 563 8.524 8.524 8.421 0.103 18462 3550 1 5 . 1 1 564 564 PHE N N 564 118.625 118.625 119.756 -1.131 18462 3551 1 5 . 1 1 564 564 PHE HA H 564 4.427 4.427 4.184 0.243 18462 3552 1 5 . 1 1 564 564 PHE C C 564 179.429 179.429 177.661 1.768 18462 3553 1 5 . 1 1 564 564 PHE CA C 564 59.461 59.461 61.055 -1.594 18462 3554 1 5 . 1 1 564 564 PHE CB C 564 38.488 38.488 38.720 -0.232 18462 3555 1 5 . 1 1 564 564 PHE H H 564 8.904 8.904 8.986 -0.082 18462 3556 1 5 . 1 1 565 565 MET N N 565 120.996 120.996 120.176 0.820 18462 3557 1 5 . 1 1 565 565 MET HA H 565 3.720 3.720 2.856 0.864 18462 3558 1 5 . 1 1 565 565 MET C C 565 178.642 178.642 177.569 1.073 18462 3559 1 5 . 1 1 565 565 MET CA C 565 58.037 58.037 57.867 0.170 18462 3560 1 5 . 1 1 565 565 MET H H 565 7.153 7.153 7.827 -0.674 18462 3561 1 5 . 1 1 566 566 SER N N 566 115.706 115.706 114.709 0.997 18462 3562 1 5 . 1 1 566 566 SER HA H 566 3.720 3.720 3.691 0.029 18462 3563 1 5 . 1 1 566 566 SER C C 566 176.710 176.710 176.351 0.359 18462 3564 1 5 . 1 1 566 566 SER CA C 566 60.633 60.633 61.328 -0.695 18462 3565 1 5 . 1 1 566 566 SER CB C 566 62.040 62.040 62.562 -0.522 18462 3566 1 5 . 1 1 566 566 SER H H 566 8.918 8.918 8.089 0.829 18462 3567 1 5 . 1 1 567 567 SER N N 567 114.335 114.335 117.106 -2.771 18462 3568 1 5 . 1 1 567 567 SER HA H 567 4.212 4.212 4.001 0.211 18462 3569 1 5 . 1 1 567 567 SER C C 567 176.849 176.849 176.648 0.201 18462 3570 1 5 . 1 1 567 567 SER CA C 567 60.868 60.868 61.342 -0.474 18462 3571 1 5 . 1 1 567 567 SER CB C 567 61.806 61.806 63.074 -1.268 18462 3572 1 5 . 1 1 567 567 SER H H 567 7.933 7.933 7.574 0.359 18462 3573 1 5 . 1 1 568 568 HIS N N 568 120.659 120.659 122.507 -1.848 18462 3574 1 5 . 1 1 568 568 HIS HA H 568 4.327 4.327 4.310 0.017 18462 3575 1 5 . 1 1 568 568 HIS C C 568 177.652 177.652 177.483 0.169 18462 3576 1 5 . 1 1 568 568 HIS CA C 568 58.992 58.992 59.138 -0.146 18462 3577 1 5 . 1 1 568 568 HIS CB C 568 27.234 27.234 29.281 -2.047 18462 3578 1 5 . 1 1 568 568 HIS H H 568 7.594 7.594 7.951 -0.357 18462 3579 1 5 . 1 1 569 569 ILE N N 569 120.858 120.858 119.679 1.179 18462 3580 1 5 . 1 1 569 569 ILE HA H 569 3.562 3.562 3.410 0.152 18462 3581 1 5 . 1 1 569 569 ILE C C 569 175.925 175.925 178.378 -2.453 18462 3582 1 5 . 1 1 569 569 ILE CA C 569 66.729 66.729 64.966 1.763 18462 3583 1 5 . 1 1 569 569 ILE CB C 569 37.198 37.198 37.635 -0.437 18462 3584 1 5 . 1 1 569 569 ILE H H 569 8.640 8.640 7.926 0.714 18462 3585 1 5 . 1 1 570 570 LYS N N 570 118.876 118.876 120.134 -1.258 18462 3586 1 5 . 1 1 570 570 LYS HA H 570 4.329 4.329 4.117 0.212 18462 3587 1 5 . 1 1 570 570 LYS C C 570 178.927 178.927 179.197 -0.270 18462 3588 1 5 . 1 1 570 570 LYS CA C 570 59.461 59.461 59.603 -0.142 18462 3589 1 5 . 1 1 570 570 LYS CB C 570 32.743 32.743 32.551 0.192 18462 3590 1 5 . 1 1 570 570 LYS H H 570 8.463 8.463 8.224 0.239 18462 3591 1 5 . 1 1 571 571 SER N N 571 112.612 112.612 114.125 -1.513 18462 3592 1 5 . 1 1 571 571 SER HA H 571 4.323 4.323 4.227 0.096 18462 3593 1 5 . 1 1 571 571 SER C C 571 179.258 179.258 175.941 3.317 18462 3594 1 5 . 1 1 571 571 SER CA C 571 59.930 59.930 61.278 -1.348 18462 3595 1 5 . 1 1 571 571 SER CB C 571 62.978 62.978 63.423 -0.445 18462 3596 1 5 . 1 1 571 571 SER H H 571 7.997 7.997 7.951 0.046 18462 3597 1 5 . 1 1 572 572 VAL N N 572 120.208 120.208 121.287 -1.079 18462 3598 1 5 . 1 1 572 572 VAL HA H 572 3.789 3.789 3.828 -0.039 18462 3599 1 5 . 1 1 572 572 VAL C C 572 176.245 176.245 177.138 -0.893 18462 3600 1 5 . 1 1 572 572 VAL CA C 572 63.916 63.916 63.907 0.009 18462 3601 1 5 . 1 1 572 572 VAL CB C 572 31.337 31.337 31.801 -0.464 18462 3602 1 5 . 1 1 572 572 VAL H H 572 8.615 8.615 8.014 0.601 18462 3603 1 5 . 1 1 573 573 HIS N N 573 113.735 113.735 116.099 -2.364 18462 3604 1 5 . 1 1 573 573 HIS HA H 573 5.102 5.102 4.700 0.402 18462 3605 1 5 . 1 1 573 573 HIS C C 573 177.042 177.042 175.056 1.986 18462 3606 1 5 . 1 1 573 573 HIS CA C 573 53.376 53.376 55.336 -1.960 18462 3607 1 5 . 1 1 573 573 HIS CB C 573 28.210 28.210 30.123 -1.913 18462 3608 1 5 . 1 1 573 573 HIS H H 573 7.067 7.067 7.459 -0.392 18462 3609 1 5 . 1 1 574 574 SER N N 574 112.537 112.537 111.466 1.071 18462 3610 1 5 . 1 1 574 574 SER HA H 574 4.421 4.421 4.164 0.257 18462 3611 1 5 . 1 1 574 574 SER C C 574 174.525 174.525 173.639 0.886 18462 3612 1 5 . 1 1 574 574 SER CA C 574 58.054 58.054 59.256 -1.202 18462 3613 1 5 . 1 1 574 574 SER CB C 574 61.102 61.102 61.538 -0.435 18462 3614 1 5 . 1 1 574 574 SER H H 574 7.325 7.325 8.268 -0.943 18462 3615 1 5 . 1 1 575 575 GLN N N 575 117.032 117.032 117.245 -0.213 18462 3616 1 5 . 1 1 575 575 GLN HA H 575 4.659 4.659 4.517 0.142 18462 3617 1 5 . 1 1 575 575 GLN C C 575 173.993 173.993 173.477 0.516 18462 3618 1 5 . 1 1 575 575 GLN CA C 575 53.376 53.376 53.946 -0.570 18462 3619 1 5 . 1 1 575 575 GLN CB C 575 32.743 32.743 33.429 -0.687 18462 3620 1 5 . 1 1 575 575 GLN H H 575 7.480 7.480 7.370 0.110 18462 3621 1 5 . 1 1 576 576 ASP N N 576 118.953 118.953 119.624 -0.671 18462 3622 1 5 . 1 1 576 576 ASP HA H 576 4.992 4.992 4.981 0.011 18462 3623 1 5 . 1 1 576 576 ASP C C 576 173.387 173.387 175.962 -2.575 18462 3624 1 5 . 1 1 576 576 ASP CA C 576 50.094 50.094 50.803 -0.709 18462 3625 1 5 . 1 1 576 576 ASP CB C 576 41.301 41.301 41.803 -0.502 18462 3626 1 5 . 1 1 576 576 ASP H H 576 8.173 8.173 8.482 -0.309 18462 3627 1 5 . 1 1 577 577 PRO HA H 577 4.629 4.629 4.469 0.160 18462 3628 1 5 . 1 1 577 577 PRO CA C 577 63.212 63.212 64.515 -1.303 18462 3629 1 5 . 1 1 577 577 PRO CB C 577 31.806 31.806 31.742 0.064 18462 3630 1 5 . 1 1 578 578 SER N N 578 114.986 114.986 112.923 2.063 18462 3631 1 5 . 1 1 578 578 SER HA H 578 4.820 4.820 4.407 0.413 18462 3632 1 5 . 1 1 578 578 SER C C 578 176.301 176.301 175.526 0.775 18462 3633 1 5 . 1 1 578 578 SER CA C 578 58.054 58.054 58.513 -0.459 18462 3634 1 5 . 1 1 578 578 SER CB C 578 63.447 63.447 62.942 0.505 18462 3635 1 5 . 1 1 578 578 SER H H 578 8.387 8.387 8.430 -0.043 18462 3636 1 5 . 1 1 579 579 GLY N N 579 111.279 111.279 110.460 0.819 18462 3637 1 5 . 1 1 579 579 GLY C C 579 175.262 175.262 173.681 1.581 18462 3638 1 5 . 1 1 579 579 GLY CA C 579 44.935 44.935 44.403 0.533 18462 3639 1 5 . 1 1 579 579 GLY H H 579 8.554 8.554 7.564 0.990 18462 3640 1 5 . 1 1 580 580 ASP N N 580 121.402 121.402 119.864 1.538 18462 3641 1 5 . 1 1 580 580 ASP HA H 580 4.700 4.700 4.795 -0.095 18462 3642 1 5 . 1 1 580 580 ASP C C 580 174.329 174.329 175.919 -1.590 18462 3643 1 5 . 1 1 580 580 ASP CA C 580 53.845 53.845 54.486 -0.641 18462 3644 1 5 . 1 1 580 580 ASP CB C 580 40.012 40.012 39.788 0.224 18462 3645 1 5 . 1 1 580 580 ASP H H 580 8.386 8.386 8.493 -0.107 18462 3646 1 5 . 1 1 581 581 SER N N 581 115.668 115.668 116.018 -0.350 18462 3647 1 5 . 1 1 581 581 SER HA H 581 4.421 4.421 4.423 -0.002 18462 3648 1 5 . 1 1 581 581 SER C C 581 176.108 176.108 173.828 2.280 18462 3649 1 5 . 1 1 581 581 SER CA C 581 58.054 58.054 58.803 -0.749 18462 3650 1 5 . 1 1 581 581 SER CB C 581 63.212 63.212 64.102 -0.890 18462 3651 1 5 . 1 1 581 581 SER H H 581 8.015 8.015 8.207 -0.192 18462 3652 1 5 . 1 1 582 582 LYS N N 582 120.544 120.544 119.938 0.606 18462 3653 1 5 . 1 1 582 582 LYS HA H 582 4.329 4.329 4.000 0.329 18462 3654 1 5 . 1 1 582 582 LYS C C 582 174.302 174.302 175.569 -1.267 18462 3655 1 5 . 1 1 582 582 LYS CA C 582 55.944 55.944 56.688 -0.744 18462 3656 1 5 . 1 1 582 582 LYS CB C 582 30.868 30.868 30.868 -0.000 18462 3657 1 5 . 1 1 582 582 LYS H H 582 8.453 8.453 8.348 0.105 18462 3658 1 5 . 1 1 583 583 LEU N N 583 119.514 119.514 119.101 0.413 18462 3659 1 5 . 1 1 583 583 LEU HA H 583 4.458 4.458 4.481 -0.023 18462 3660 1 5 . 1 1 583 583 LEU C C 583 176.924 176.924 175.501 1.423 18462 3661 1 5 . 1 1 583 583 LEU CA C 583 54.303 54.303 54.519 -0.215 18462 3662 1 5 . 1 1 583 583 LEU CB C 583 43.060 43.060 41.811 1.249 18462 3663 1 5 . 1 1 583 583 LEU H H 583 8.391 8.391 8.309 0.082 18462 3664 1 5 . 1 1 584 584 TYR N N 584 115.291 115.291 113.595 1.696 18462 3665 1 5 . 1 1 584 584 TYR HA H 584 5.714 5.714 5.551 0.163 18462 3666 1 5 . 1 1 584 584 TYR C C 584 175.675 175.675 173.635 2.040 18462 3667 1 5 . 1 1 584 584 TYR CA C 584 54.303 54.303 55.194 -0.891 18462 3668 1 5 . 1 1 584 584 TYR CB C 584 42.420 42.420 41.558 0.862 18462 3669 1 5 . 1 1 584 584 TYR H H 584 7.625 7.625 7.202 0.423 18462 3670 1 5 . 1 1 585 585 ARG N N 585 120.321 120.321 120.636 -0.315 18462 3671 1 5 . 1 1 585 585 ARG HA H 585 4.407 4.407 4.503 -0.096 18462 3672 1 5 . 1 1 585 585 ARG C C 585 172.342 172.342 173.447 -1.105 18462 3673 1 5 . 1 1 585 585 ARG CA C 585 53.376 53.376 54.396 -1.020 18462 3674 1 5 . 1 1 585 585 ARG CB C 585 33.916 33.916 34.727 -0.811 18462 3675 1 5 . 1 1 585 585 ARG H H 585 9.141 9.141 9.221 -0.080 18462 3676 1 5 . 1 1 586 586 LEU N N 586 129.013 129.013 125.901 3.112 18462 3677 1 5 . 1 1 586 586 LEU HA H 586 4.768 4.768 5.224 -0.456 18462 3678 1 5 . 1 1 586 586 LEU C C 586 173.449 173.449 175.307 -1.858 18462 3679 1 5 . 1 1 586 586 LEU CA C 586 52.438 52.438 54.161 -1.723 18462 3680 1 5 . 1 1 586 586 LEU CB C 586 41.653 41.653 43.428 -1.776 18462 3681 1 5 . 1 1 586 586 LEU H H 586 8.581 8.581 8.442 0.139 18462 3682 1 5 . 1 1 587 587 HIS N N 587 127.447 127.447 126.511 0.936 18462 3683 1 5 . 1 1 587 587 HIS HA H 587 4.650 4.650 4.955 -0.305 18462 3684 1 5 . 1 1 587 587 HIS C C 587 175.512 175.512 173.457 2.055 18462 3685 1 5 . 1 1 587 587 HIS CA C 587 55.544 55.544 53.939 1.605 18462 3686 1 5 . 1 1 587 587 HIS CB C 587 29.930 29.930 30.568 -0.638 18462 3687 1 5 . 1 1 587 587 HIS H H 587 9.132 9.132 8.574 0.558 18462 3688 1 5 . 1 1 588 588 PRO HA H 588 4.441 4.441 4.344 0.097 18462 3689 1 5 . 1 1 588 588 PRO CA C 588 62.509 62.509 63.561 -1.052 18462 3690 1 5 . 1 1 588 588 PRO CB C 588 31.688 31.688 32.337 -0.649 18462 3691 1 5 . 1 1 589 589 CYS N N 589 124.057 124.057 123.210 0.847 18462 3692 1 5 . 1 1 589 589 CYS HA H 589 4.275 4.275 4.584 -0.309 18462 3693 1 5 . 1 1 589 589 CYS C C 589 174.401 174.401 175.082 -0.681 18462 3694 1 5 . 1 1 589 589 CYS CA C 589 58.289 58.289 58.045 0.244 18462 3695 1 5 . 1 1 589 589 CYS CB C 589 26.413 26.413 28.082 -1.669 18462 3696 1 5 . 1 1 589 589 CYS H H 589 9.475 9.475 8.612 0.863 18462 3697 1 5 . 1 1 590 590 ARG N N 590 130.942 130.942 126.949 3.993 18462 3698 1 5 . 1 1 590 590 ARG HA H 590 4.689 4.689 4.624 0.065 18462 3699 1 5 . 1 1 590 590 ARG C C 590 175.091 175.091 176.615 -1.524 18462 3700 1 5 . 1 1 590 590 ARG CA C 590 55.241 55.241 55.873 -0.632 18462 3701 1 5 . 1 1 590 590 ARG CB C 590 30.633 30.633 31.230 -0.597 18462 3702 1 5 . 1 1 590 590 ARG H H 590 7.227 7.227 9.034 -1.807 18462 3703 1 5 . 1 1 591 591 SER N N 591 117.243 117.243 116.086 1.157 18462 3704 1 5 . 1 1 591 591 SER HA H 591 4.342 4.342 4.393 -0.051 18462 3705 1 5 . 1 1 591 591 SER C C 591 178.367 178.367 174.222 4.145 18462 3706 1 5 . 1 1 591 591 SER CA C 591 59.695 59.695 61.211 -1.516 18462 3707 1 5 . 1 1 591 591 SER CB C 591 61.923 61.923 63.846 -1.923 18462 3708 1 5 . 1 1 591 591 SER H H 591 9.571 9.571 8.957 0.614 18462 3709 1 5 . 1 1 592 592 LEU N N 592 121.308 121.308 117.004 4.304 18462 3710 1 5 . 1 1 592 592 LEU HA H 592 4.778 4.778 4.824 -0.046 18462 3711 1 5 . 1 1 592 592 LEU C C 592 173.260 173.260 175.115 -1.855 18462 3712 1 5 . 1 1 592 592 LEU CA C 592 52.846 52.846 52.919 -0.073 18462 3713 1 5 . 1 1 592 592 LEU CB C 592 45.404 45.404 43.885 1.519 18462 3714 1 5 . 1 1 592 592 LEU H H 592 7.369 7.369 7.298 0.071 18462 3715 1 5 . 1 1 593 593 GLN N N 593 122.109 122.109 119.868 2.241 18462 3716 1 5 . 1 1 593 593 GLN HA H 593 4.564 4.564 4.457 0.107 18462 3717 1 5 . 1 1 593 593 GLN C C 593 175.827 175.827 175.163 0.664 18462 3718 1 5 . 1 1 593 593 GLN CA C 593 54.303 54.303 56.063 -1.760 18462 3719 1 5 . 1 1 593 593 GLN CB C 593 26.882 26.882 27.960 -1.078 18462 3720 1 5 . 1 1 593 593 GLN H H 593 8.599 8.599 8.376 0.223 18462 3721 1 5 . 1 1 594 594 ILE N N 594 118.085 118.085 119.649 -1.564 18462 3722 1 5 . 1 1 594 594 ILE HA H 594 4.755 4.755 4.535 0.220 18462 3723 1 5 . 1 1 594 594 ILE C C 594 175.093 175.093 174.552 0.541 18462 3724 1 5 . 1 1 594 594 ILE CA C 594 58.831 58.831 59.317 -0.486 18462 3725 1 5 . 1 1 594 594 ILE CB C 594 42.591 42.591 40.896 1.695 18462 3726 1 5 . 1 1 594 594 ILE H H 594 7.635 7.635 7.951 -0.316 18462 3727 1 5 . 1 1 595 595 ARG N N 595 123.800 123.800 121.276 2.524 18462 3728 1 5 . 1 1 595 595 ARG HA H 595 4.038 4.038 4.265 -0.227 18462 3729 1 5 . 1 1 595 595 ARG C C 595 175.440 175.440 175.816 -0.376 18462 3730 1 5 . 1 1 595 595 ARG CA C 595 56.386 56.386 55.843 0.543 18462 3731 1 5 . 1 1 595 595 ARG CB C 595 30.516 30.516 30.546 -0.030 18462 3732 1 5 . 1 1 595 595 ARG H H 595 9.075 9.075 8.182 0.893 18462 3733 1 5 . 1 1 596 596 GLN N N 596 124.290 124.290 121.751 2.539 18462 3734 1 5 . 1 1 596 596 GLN HA H 596 4.420 4.420 4.463 -0.043 18462 3735 1 5 . 1 1 596 596 GLN C C 596 174.630 174.630 175.073 -0.443 18462 3736 1 5 . 1 1 596 596 GLN CA C 596 52.907 52.907 54.554 -1.647 18462 3737 1 5 . 1 1 596 596 GLN CB C 596 30.164 30.164 28.368 1.796 18462 3738 1 5 . 1 1 596 596 GLN H H 596 8.495 8.495 8.389 0.106 18462 3739 1 5 . 1 1 597 597 TYR N N 597 121.829 121.829 121.737 0.092 18462 3740 1 5 . 1 1 597 597 TYR HA H 597 4.767 4.767 4.212 0.555 18462 3741 1 5 . 1 1 597 597 TYR C C 597 175.453 175.453 176.827 -1.374 18462 3742 1 5 . 1 1 597 597 TYR CA C 597 57.467 57.467 58.244 -0.777 18462 3743 1 5 . 1 1 597 597 TYR CB C 597 38.839 38.839 38.597 0.242 18462 3744 1 5 . 1 1 597 597 TYR H H 597 7.966 7.966 8.121 -0.155 18462 3745 1 5 . 1 1 598 598 ALA N N 598 129.272 129.272 126.032 3.240 18462 3746 1 5 . 1 1 598 598 ALA HA H 598 4.191 4.191 4.096 0.095 18462 3747 1 5 . 1 1 598 598 ALA C C 598 177.425 177.425 177.507 -0.082 18462 3748 1 5 . 1 1 598 598 ALA CA C 598 54.040 54.040 54.336 -0.295 18462 3749 1 5 . 1 1 598 598 ALA CB C 598 17.749 17.749 18.479 -0.730 18462 3750 1 5 . 1 1 598 598 ALA H H 598 9.540 9.540 8.867 0.673 18462 3751 1 5 . 1 1 599 599 TYR N N 599 115.845 115.845 112.102 3.743 18462 3752 1 5 . 1 1 599 599 TYR HA H 599 4.560 4.560 4.477 0.083 18462 3753 1 5 . 1 1 599 599 TYR C C 599 173.276 173.276 175.720 -2.444 18462 3754 1 5 . 1 1 599 599 TYR CA C 599 58.172 58.172 58.844 -0.672 18462 3755 1 5 . 1 1 599 599 TYR CB C 599 36.432 36.432 37.938 -1.506 18462 3756 1 5 . 1 1 599 599 TYR H H 599 8.496 8.496 7.709 0.787 18462 3757 1 5 . 1 1 600 600 LEU N N 600 120.764 120.764 117.749 3.015 18462 3758 1 5 . 1 1 600 600 LEU HA H 600 4.260 4.260 4.291 -0.031 18462 3759 1 5 . 1 1 600 600 LEU C C 600 176.164 176.164 178.189 -2.025 18462 3760 1 5 . 1 1 600 600 LEU CA C 600 54.303 54.303 55.004 -0.701 18462 3761 1 5 . 1 1 600 600 LEU CB C 600 41.419 41.419 41.351 0.068 18462 3762 1 5 . 1 1 600 600 LEU H H 600 7.299 7.299 7.329 -0.030 18462 3763 1 5 . 1 1 601 601 SER N N 601 114.419 114.419 113.360 1.059 18462 3764 1 5 . 1 1 601 601 SER HA H 601 4.418 4.418 4.350 0.068 18462 3765 1 5 . 1 1 601 601 SER C C 601 177.754 177.754 174.289 3.465 18462 3766 1 5 . 1 1 601 601 SER CA C 601 58.054 58.054 59.621 -1.567 18462 3767 1 5 . 1 1 601 601 SER CB C 601 63.212 63.212 63.519 -0.307 18462 3768 1 5 . 1 1 601 601 SER H H 601 7.896 7.896 7.604 0.292 18462 3769 1 5 . 1 1 602 602 ASP N N 602 122.293 122.293 119.767 2.526 18462 3770 1 5 . 1 1 602 602 ASP HA H 602 4.651 4.651 4.760 -0.109 18462 3771 1 5 . 1 1 602 602 ASP C C 602 174.087 174.087 174.724 -0.637 18462 3772 1 5 . 1 1 602 602 ASP CA C 602 53.845 53.845 53.213 0.632 18462 3773 1 5 . 1 1 602 602 ASP CB C 602 40.481 40.481 42.765 -2.284 18462 3774 1 5 . 1 1 602 602 ASP H H 602 8.257 8.257 7.596 0.661 18462 3775 1 5 . 1 1 603 603 ARG N N 603 121.398 121.398 121.408 -0.010 18462 3776 1 5 . 1 1 603 603 ARG HA H 603 4.454 4.454 4.694 -0.240 18462 3777 1 5 . 1 1 603 603 ARG C C 603 176.111 176.111 174.911 1.200 18462 3778 1 5 . 1 1 603 603 ARG CA C 603 55.241 55.241 55.606 -0.365 18462 3779 1 5 . 1 1 603 603 ARG CB C 603 30.164 30.164 31.606 -1.442 18462 3780 1 5 . 1 1 603 603 ARG H H 603 8.234 8.234 8.473 -0.239 18462 3781 1 6 . 1 1 473 473 ASN HA H 473 4.815 4.815 4.858 -0.043 18462 3782 1 6 . 1 1 473 473 ASN CA C 473 52.204 52.204 53.062 -0.858 18462 3783 1 6 . 1 1 473 473 ASN CB C 473 38.371 38.371 39.281 -0.910 18462 3784 1 6 . 1 1 474 474 LYS N N 474 122.150 122.150 120.041 2.109 18462 3785 1 6 . 1 1 474 474 LYS HA H 474 4.375 4.375 4.531 -0.156 18462 3786 1 6 . 1 1 474 474 LYS C C 474 174.965 174.965 175.088 -0.123 18462 3787 1 6 . 1 1 474 474 LYS CA C 474 55.944 55.944 56.024 -0.080 18462 3788 1 6 . 1 1 474 474 LYS CB C 474 32.405 32.405 34.393 -1.988 18462 3789 1 6 . 1 1 474 474 LYS H H 474 8.586 8.586 8.243 0.343 18462 3790 1 6 . 1 1 475 475 ARG N N 475 122.278 122.278 123.859 -1.581 18462 3791 1 6 . 1 1 475 475 ARG HA H 475 4.374 4.374 4.764 -0.390 18462 3792 1 6 . 1 1 475 475 ARG C C 475 176.695 176.695 174.391 2.304 18462 3793 1 6 . 1 1 475 475 ARG CA C 475 55.944 55.944 55.377 0.568 18462 3794 1 6 . 1 1 475 475 ARG CB C 475 30.164 30.164 31.996 -1.832 18462 3795 1 6 . 1 1 475 475 ARG H H 475 8.662 8.662 8.511 0.151 18462 3796 1 6 . 1 1 476 476 MET N N 476 122.046 122.046 118.608 3.438 18462 3797 1 6 . 1 1 476 476 MET HA H 476 4.496 4.496 4.814 -0.318 18462 3798 1 6 . 1 1 476 476 MET C C 476 176.359 176.359 175.702 0.657 18462 3799 1 6 . 1 1 476 476 MET CA C 476 54.537 54.537 54.837 -0.300 18462 3800 1 6 . 1 1 476 476 MET CB C 476 32.509 32.509 35.120 -2.611 18462 3801 1 6 . 1 1 476 476 MET H H 476 8.490 8.490 8.339 0.151 18462 3802 1 6 . 1 1 477 477 LYS N N 477 123.768 123.768 124.242 -0.474 18462 3803 1 6 . 1 1 477 477 LYS HA H 477 4.384 4.384 4.184 0.200 18462 3804 1 6 . 1 1 477 477 LYS C C 477 176.015 176.015 175.084 0.931 18462 3805 1 6 . 1 1 477 477 LYS CA C 477 55.834 55.834 57.107 -1.273 18462 3806 1 6 . 1 1 477 477 LYS CB C 477 32.107 32.107 32.267 -0.160 18462 3807 1 6 . 1 1 477 477 LYS H H 477 8.472 8.472 8.407 0.065 18462 3808 1 6 . 1 1 478 478 VAL N N 478 122.460 122.460 122.456 0.004 18462 3809 1 6 . 1 1 478 478 VAL HA H 478 4.054 4.054 4.208 -0.154 18462 3810 1 6 . 1 1 478 478 VAL C C 478 176.320 176.320 174.399 1.921 18462 3811 1 6 . 1 1 478 478 VAL CA C 478 61.337 61.337 60.602 0.735 18462 3812 1 6 . 1 1 478 478 VAL CB C 478 32.275 32.275 34.293 -2.018 18462 3813 1 6 . 1 1 478 478 VAL H H 478 8.230 8.230 7.987 0.243 18462 3814 1 6 . 1 1 479 479 LYS N N 479 126.119 126.119 124.015 2.104 18462 3815 1 6 . 1 1 479 479 LYS HA H 479 4.365 4.365 4.577 -0.212 18462 3816 1 6 . 1 1 479 479 LYS C C 479 175.605 175.605 174.950 0.655 18462 3817 1 6 . 1 1 479 479 LYS CA C 479 55.006 55.006 55.397 -0.391 18462 3818 1 6 . 1 1 479 479 LYS CB C 479 32.098 32.098 33.451 -1.353 18462 3819 1 6 . 1 1 479 479 LYS H H 479 8.453 8.453 7.981 0.472 18462 3820 1 6 . 1 1 480 480 HIS N N 480 121.065 121.065 118.982 2.083 18462 3821 1 6 . 1 1 480 480 HIS HA H 480 4.713 4.713 4.650 0.063 18462 3822 1 6 . 1 1 480 480 HIS C C 480 175.937 175.937 174.242 1.695 18462 3823 1 6 . 1 1 480 480 HIS CA C 480 54.537 54.537 55.282 -0.745 18462 3824 1 6 . 1 1 480 480 HIS CB C 480 30.047 30.047 32.175 -2.128 18462 3825 1 6 . 1 1 480 480 HIS H H 480 8.559 8.559 8.218 0.341 18462 3826 1 6 . 1 1 481 481 ASP HA H 481 4.392 4.392 4.561 -0.169 18462 3827 1 6 . 1 1 481 481 ASP C C 481 174.413 174.413 175.868 -1.455 18462 3828 1 6 . 1 1 481 481 ASP CA C 481 52.907 52.907 53.745 -0.838 18462 3829 1 6 . 1 1 481 481 ASP CB C 481 39.543 39.543 39.521 0.022 18462 3830 1 6 . 1 1 482 482 ASP N N 482 118.362 118.362 119.722 -1.360 18462 3831 1 6 . 1 1 482 482 ASP HA H 482 4.710 4.710 4.690 0.020 18462 3832 1 6 . 1 1 482 482 ASP C C 482 175.104 175.104 175.137 -0.033 18462 3833 1 6 . 1 1 482 482 ASP CA C 482 53.376 53.376 53.924 -0.548 18462 3834 1 6 . 1 1 482 482 ASP CB C 482 39.308 39.308 41.358 -2.050 18462 3835 1 6 . 1 1 482 482 ASP H H 482 8.216 8.216 8.222 -0.006 18462 3836 1 6 . 1 1 483 483 HIS N N 483 113.578 113.578 114.465 -0.887 18462 3837 1 6 . 1 1 483 483 HIS HA H 483 5.886 5.886 5.169 0.717 18462 3838 1 6 . 1 1 483 483 HIS C C 483 175.274 175.274 172.716 2.558 18462 3839 1 6 . 1 1 483 483 HIS CA C 483 55.241 55.241 55.574 -0.333 18462 3840 1 6 . 1 1 483 483 HIS CB C 483 32.040 32.040 31.186 0.854 18462 3841 1 6 . 1 1 483 483 HIS H H 483 7.692 7.692 7.293 0.399 18462 3842 1 6 . 1 1 484 484 TYR N N 484 116.271 116.271 115.112 1.159 18462 3843 1 6 . 1 1 484 484 TYR HA H 484 5.003 5.003 4.900 0.103 18462 3844 1 6 . 1 1 484 484 TYR C C 484 180.038 180.038 173.542 6.496 18462 3845 1 6 . 1 1 484 484 TYR CA C 484 55.241 55.241 56.520 -1.279 18462 3846 1 6 . 1 1 484 484 TYR CB C 484 39.777 39.777 40.505 -0.728 18462 3847 1 6 . 1 1 484 484 TYR H H 484 8.493 8.493 8.628 -0.135 18462 3848 1 6 . 1 1 485 485 GLU N N 485 120.840 120.840 121.697 -0.857 18462 3849 1 6 . 1 1 485 485 GLU HA H 485 5.301 5.301 5.386 -0.084 18462 3850 1 6 . 1 1 485 485 GLU C C 485 174.101 174.101 175.574 -1.473 18462 3851 1 6 . 1 1 485 485 GLU CA C 485 54.772 54.772 55.147 -0.375 18462 3852 1 6 . 1 1 485 485 GLU CB C 485 31.337 31.337 32.409 -1.072 18462 3853 1 6 . 1 1 485 485 GLU H H 485 8.873 8.873 8.672 0.201 18462 3854 1 6 . 1 1 486 486 LEU N N 486 125.807 125.807 125.781 0.026 18462 3855 1 6 . 1 1 486 486 LEU HA H 486 4.762 4.762 4.801 -0.039 18462 3856 1 6 . 1 1 486 486 LEU C C 486 175.613 175.613 174.907 0.706 18462 3857 1 6 . 1 1 486 486 LEU CA C 486 53.645 53.645 54.464 -0.819 18462 3858 1 6 . 1 1 486 486 LEU CB C 486 45.873 45.873 45.238 0.635 18462 3859 1 6 . 1 1 486 486 LEU H H 486 8.957 8.957 8.944 0.013 18462 3860 1 6 . 1 1 487 487 ILE N N 487 125.332 125.332 127.736 -2.404 18462 3861 1 6 . 1 1 487 487 ILE HA H 487 5.007 5.007 4.466 0.541 18462 3862 1 6 . 1 1 487 487 ILE C C 487 174.543 174.543 175.520 -0.977 18462 3863 1 6 . 1 1 487 487 ILE CA C 487 59.695 59.695 61.469 -1.774 18462 3864 1 6 . 1 1 487 487 ILE CB C 487 37.433 37.433 38.310 -0.877 18462 3865 1 6 . 1 1 487 487 ILE H H 487 8.549 8.549 8.455 0.094 18462 3866 1 6 . 1 1 488 488 VAL N N 488 129.307 129.307 128.317 0.990 18462 3867 1 6 . 1 1 488 488 VAL HA H 488 4.304 4.304 4.137 0.167 18462 3868 1 6 . 1 1 488 488 VAL C C 488 176.678 176.678 175.114 1.564 18462 3869 1 6 . 1 1 488 488 VAL CA C 488 60.868 60.868 60.787 0.081 18462 3870 1 6 . 1 1 488 488 VAL CB C 488 33.681 33.681 34.613 -0.932 18462 3871 1 6 . 1 1 488 488 VAL H H 488 9.456 9.456 8.586 0.870 18462 3872 1 6 . 1 1 489 489 ASP N N 489 128.884 128.884 127.832 1.052 18462 3873 1 6 . 1 1 489 489 ASP HA H 489 4.301 4.301 4.231 0.070 18462 3874 1 6 . 1 1 489 489 ASP C C 489 176.084 176.084 177.167 -1.083 18462 3875 1 6 . 1 1 489 489 ASP CA C 489 54.537 54.537 54.664 -0.127 18462 3876 1 6 . 1 1 489 489 ASP CB C 489 39.074 39.074 40.425 -1.351 18462 3877 1 6 . 1 1 489 489 ASP H H 489 9.144 9.144 9.096 0.048 18462 3878 1 6 . 1 1 490 490 GLY N N 490 102.410 102.410 102.338 0.072 18462 3879 1 6 . 1 1 490 490 GLY C C 490 175.998 175.998 173.918 2.080 18462 3880 1 6 . 1 1 490 490 GLY CA C 490 44.818 44.818 45.447 -0.629 18462 3881 1 6 . 1 1 490 490 GLY H H 490 8.210 8.210 8.347 -0.137 18462 3882 1 6 . 1 1 491 491 ARG N N 491 122.605 122.605 120.143 2.462 18462 3883 1 6 . 1 1 491 491 ARG HA H 491 4.597 4.597 4.661 -0.064 18462 3884 1 6 . 1 1 491 491 ARG C C 491 173.256 173.256 175.080 -1.824 18462 3885 1 6 . 1 1 491 491 ARG CA C 491 53.610 53.610 54.243 -0.633 18462 3886 1 6 . 1 1 491 491 ARG CB C 491 32.040 32.040 32.220 -0.180 18462 3887 1 6 . 1 1 491 491 ARG H H 491 7.938 7.938 7.833 0.105 18462 3888 1 6 . 1 1 492 492 VAL N N 492 123.769 123.769 123.949 -0.180 18462 3889 1 6 . 1 1 492 492 VAL HA H 492 4.128 4.128 3.808 0.320 18462 3890 1 6 . 1 1 492 492 VAL C C 492 173.470 173.470 175.165 -1.695 18462 3891 1 6 . 1 1 492 492 VAL CA C 492 62.210 62.210 62.391 -0.181 18462 3892 1 6 . 1 1 492 492 VAL CB C 492 32.040 32.040 31.427 0.613 18462 3893 1 6 . 1 1 492 492 VAL H H 492 8.157 8.157 8.575 -0.418 18462 3894 1 6 . 1 1 493 493 TYR N N 493 124.842 124.842 126.644 -1.802 18462 3895 1 6 . 1 1 493 493 TYR HA H 493 4.632 4.632 4.814 -0.182 18462 3896 1 6 . 1 1 493 493 TYR C C 493 174.288 174.288 175.381 -1.093 18462 3897 1 6 . 1 1 493 493 TYR CA C 493 56.308 56.308 53.888 2.420 18462 3898 1 6 . 1 1 493 493 TYR CB C 493 40.481 40.481 40.459 0.022 18462 3899 1 6 . 1 1 493 493 TYR H H 493 8.981 8.981 8.570 0.411 18462 3900 1 6 . 1 1 494 494 TYR N N 494 120.511 120.511 119.053 1.458 18462 3901 1 6 . 1 1 494 494 TYR HA H 494 4.763 4.763 5.156 -0.393 18462 3902 1 6 . 1 1 494 494 TYR C C 494 173.811 173.811 175.325 -1.514 18462 3903 1 6 . 1 1 494 494 TYR CA C 494 56.764 56.764 56.761 0.003 18462 3904 1 6 . 1 1 494 494 TYR CB C 494 38.722 38.722 40.151 -1.429 18462 3905 1 6 . 1 1 494 494 TYR H H 494 9.235 9.235 9.221 0.014 18462 3906 1 6 . 1 1 495 495 ILE N N 495 124.930 124.930 122.029 2.901 18462 3907 1 6 . 1 1 495 495 ILE HA H 495 4.780 4.780 4.957 -0.177 18462 3908 1 6 . 1 1 495 495 ILE C C 495 174.764 174.764 175.292 -0.528 18462 3909 1 6 . 1 1 495 495 ILE CA C 495 57.714 57.714 59.028 -1.314 18462 3910 1 6 . 1 1 495 495 ILE CB C 495 36.729 36.729 41.098 -4.369 18462 3911 1 6 . 1 1 495 495 ILE H H 495 9.136 9.136 9.256 -0.120 18462 3912 1 6 . 1 1 496 496 CYS N N 496 127.535 127.535 127.063 0.472 18462 3913 1 6 . 1 1 496 496 CYS HA H 496 4.745 4.745 4.736 0.009 18462 3914 1 6 . 1 1 496 496 CYS C C 496 176.128 176.128 176.757 -0.629 18462 3915 1 6 . 1 1 496 496 CYS CA C 496 60.574 60.574 59.083 1.491 18462 3916 1 6 . 1 1 496 496 CYS CB C 496 29.227 29.227 28.115 1.112 18462 3917 1 6 . 1 1 496 496 CYS H H 496 9.016 9.016 8.652 0.364 18462 3918 1 6 . 1 1 497 497 ILE N N 497 129.645 129.645 125.697 3.948 18462 3919 1 6 . 1 1 497 497 ILE HA H 497 4.176 4.176 4.159 0.017 18462 3920 1 6 . 1 1 497 497 ILE C C 497 177.925 177.925 177.137 0.788 18462 3921 1 6 . 1 1 497 497 ILE CA C 497 63.447 63.447 64.672 -1.225 18462 3922 1 6 . 1 1 497 497 ILE CB C 497 39.543 39.543 37.733 1.810 18462 3923 1 6 . 1 1 497 497 ILE H H 497 8.295 8.295 8.478 -0.183 18462 3924 1 6 . 1 1 498 498 VAL N N 498 123.791 123.791 119.598 4.193 18462 3925 1 6 . 1 1 498 498 VAL HA H 498 3.939 3.939 3.783 0.156 18462 3926 1 6 . 1 1 498 498 VAL C C 498 176.127 176.127 177.405 -1.278 18462 3927 1 6 . 1 1 498 498 VAL CA C 498 64.619 64.619 65.739 -1.120 18462 3928 1 6 . 1 1 498 498 VAL CB C 498 32.275 32.275 31.126 1.149 18462 3929 1 6 . 1 1 498 498 VAL H H 498 8.993 8.993 7.975 1.018 18462 3930 1 6 . 1 1 499 499 CYS N N 499 117.267 117.267 111.635 5.632 18462 3931 1 6 . 1 1 499 499 CYS HA H 499 5.157 5.157 4.880 0.277 18462 3932 1 6 . 1 1 499 499 CYS C C 499 177.106 177.106 174.965 2.141 18462 3933 1 6 . 1 1 499 499 CYS CA C 499 57.820 57.820 57.039 0.781 18462 3934 1 6 . 1 1 499 499 CYS CB C 499 31.571 31.571 28.730 2.841 18462 3935 1 6 . 1 1 499 499 CYS H H 499 8.307 8.307 7.936 0.371 18462 3936 1 6 . 1 1 500 500 LYS N N 500 117.950 117.950 118.701 -0.751 18462 3937 1 6 . 1 1 500 500 LYS HA H 500 4.306 4.306 4.076 0.230 18462 3938 1 6 . 1 1 500 500 LYS C C 500 175.869 175.869 175.567 0.302 18462 3939 1 6 . 1 1 500 500 LYS CA C 500 57.585 57.585 57.217 0.368 18462 3940 1 6 . 1 1 500 500 LYS CB C 500 28.289 28.289 29.712 -1.423 18462 3941 1 6 . 1 1 500 500 LYS H H 500 8.169 8.169 8.239 -0.070 18462 3942 1 6 . 1 1 501 501 ARG N N 501 121.270 121.270 119.849 1.421 18462 3943 1 6 . 1 1 501 501 ARG HA H 501 4.090 4.090 4.122 -0.032 18462 3944 1 6 . 1 1 501 501 ARG C C 501 175.587 175.587 175.904 -0.317 18462 3945 1 6 . 1 1 501 501 ARG CA C 501 58.289 58.289 56.305 1.984 18462 3946 1 6 . 1 1 501 501 ARG CB C 501 29.694 29.694 30.956 -1.262 18462 3947 1 6 . 1 1 501 501 ARG H H 501 8.071 8.071 7.730 0.341 18462 3948 1 6 . 1 1 502 502 SER N N 502 112.997 112.997 117.827 -4.830 18462 3949 1 6 . 1 1 502 502 SER HA H 502 5.003 5.003 4.831 0.172 18462 3950 1 6 . 1 1 502 502 SER C C 502 174.417 174.417 173.279 1.138 18462 3951 1 6 . 1 1 502 502 SER CA C 502 55.475 55.475 57.285 -1.810 18462 3952 1 6 . 1 1 502 502 SER CB C 502 65.088 65.088 64.582 0.506 18462 3953 1 6 . 1 1 502 502 SER H H 502 7.553 7.553 8.189 -0.636 18462 3954 1 6 . 1 1 503 503 TYR N N 503 121.115 121.115 122.104 -0.989 18462 3955 1 6 . 1 1 503 503 TYR HA H 503 4.996 4.996 4.620 0.376 18462 3956 1 6 . 1 1 503 503 TYR C C 503 173.707 173.707 175.375 -1.668 18462 3957 1 6 . 1 1 503 503 TYR CA C 503 57.585 57.585 57.948 -0.363 18462 3958 1 6 . 1 1 503 503 TYR CB C 503 42.244 42.244 42.166 0.078 18462 3959 1 6 . 1 1 503 503 TYR H H 503 8.958 8.958 8.688 0.271 18462 3960 1 6 . 1 1 504 504 VAL N N 504 119.390 119.390 120.629 -1.239 18462 3961 1 6 . 1 1 504 504 VAL HA H 504 4.376 4.376 4.073 0.303 18462 3962 1 6 . 1 1 504 504 VAL C C 504 176.390 176.390 175.786 0.604 18462 3963 1 6 . 1 1 504 504 VAL CA C 504 62.275 62.275 63.931 -1.656 18462 3964 1 6 . 1 1 504 504 VAL CB C 504 33.025 33.025 32.497 0.528 18462 3965 1 6 . 1 1 504 504 VAL H H 504 9.988 9.988 8.657 1.331 18462 3966 1 6 . 1 1 505 505 CYS N N 505 113.800 113.800 116.308 -2.508 18462 3967 1 6 . 1 1 505 505 CYS HA H 505 4.998 4.998 4.782 0.216 18462 3968 1 6 . 1 1 505 505 CYS C C 505 176.603 176.603 175.099 1.504 18462 3969 1 6 . 1 1 505 505 CYS CA C 505 56.647 56.647 57.717 -1.070 18462 3970 1 6 . 1 1 505 505 CYS CB C 505 38.406 38.406 31.343 7.063 18462 3971 1 6 . 1 1 505 505 CYS H H 505 7.518 7.518 7.757 -0.239 18462 3972 1 6 . 1 1 506 506 LEU N N 506 129.535 129.535 124.253 5.282 18462 3973 1 6 . 1 1 506 506 LEU HA H 506 3.325 3.325 3.512 -0.187 18462 3974 1 6 . 1 1 506 506 LEU C C 506 174.727 174.727 177.709 -2.982 18462 3975 1 6 . 1 1 506 506 LEU CA C 506 56.647 56.647 58.131 -1.484 18462 3976 1 6 . 1 1 506 506 LEU CB C 506 39.308 39.308 41.084 -1.776 18462 3977 1 6 . 1 1 506 506 LEU H H 506 8.602 8.602 8.645 -0.043 18462 3978 1 6 . 1 1 507 507 THR N N 507 108.833 108.833 110.544 -1.711 18462 3979 1 6 . 1 1 507 507 THR HA H 507 3.820 3.820 3.851 -0.031 18462 3980 1 6 . 1 1 507 507 THR C C 507 178.905 178.905 176.589 2.316 18462 3981 1 6 . 1 1 507 507 THR CA C 507 64.150 64.150 66.191 -2.041 18462 3982 1 6 . 1 1 507 507 THR CB C 507 66.260 66.260 67.837 -1.577 18462 3983 1 6 . 1 1 507 507 THR H H 507 8.087 8.087 8.167 -0.080 18462 3984 1 6 . 1 1 508 508 SER N N 508 119.009 119.009 118.805 0.204 18462 3985 1 6 . 1 1 508 508 SER HA H 508 4.123 4.123 3.988 0.135 18462 3986 1 6 . 1 1 508 508 SER C C 508 178.467 178.467 175.915 2.552 18462 3987 1 6 . 1 1 508 508 SER CA C 508 59.461 59.461 61.308 -1.847 18462 3988 1 6 . 1 1 508 508 SER CB C 508 62.978 62.978 62.737 0.241 18462 3989 1 6 . 1 1 508 508 SER H H 508 7.230 7.230 7.396 -0.166 18462 3990 1 6 . 1 1 509 509 LEU N N 509 127.365 127.365 123.586 3.779 18462 3991 1 6 . 1 1 509 509 LEU HA H 509 3.216 3.216 3.486 -0.270 18462 3992 1 6 . 1 1 509 509 LEU C C 509 176.740 176.740 177.743 -1.003 18462 3993 1 6 . 1 1 509 509 LEU CA C 509 57.351 57.351 57.923 -0.572 18462 3994 1 6 . 1 1 509 509 LEU CB C 509 39.074 39.074 41.770 -2.696 18462 3995 1 6 . 1 1 509 509 LEU H H 509 7.114 7.114 7.281 -0.167 18462 3996 1 6 . 1 1 510 510 ARG N N 510 119.955 119.955 118.654 1.301 18462 3997 1 6 . 1 1 510 510 ARG HA H 510 3.843 3.843 3.954 -0.111 18462 3998 1 6 . 1 1 510 510 ARG C C 510 178.472 178.472 178.744 -0.272 18462 3999 1 6 . 1 1 510 510 ARG CA C 510 61.766 61.766 57.691 4.075 18462 4000 1 6 . 1 1 510 510 ARG CB C 510 28.992 28.992 28.898 0.094 18462 4001 1 6 . 1 1 510 510 ARG H H 510 8.100 8.100 8.462 -0.362 18462 4002 1 6 . 1 1 511 511 ARG N N 511 120.947 120.947 118.605 2.342 18462 4003 1 6 . 1 1 511 511 ARG HA H 511 4.078 4.078 3.899 0.179 18462 4004 1 6 . 1 1 511 511 ARG C C 511 178.262 178.262 177.866 0.396 18462 4005 1 6 . 1 1 511 511 ARG CA C 511 59.054 59.054 59.146 -0.092 18462 4006 1 6 . 1 1 511 511 ARG CB C 511 29.695 29.695 30.003 -0.308 18462 4007 1 6 . 1 1 511 511 ARG H H 511 7.802 7.802 7.962 -0.160 18462 4008 1 6 . 1 1 512 512 HIS N N 512 116.820 116.820 117.802 -0.982 18462 4009 1 6 . 1 1 512 512 HIS HA H 512 4.219 4.219 4.287 -0.068 18462 4010 1 6 . 1 1 512 512 HIS C C 512 178.069 178.069 177.289 0.780 18462 4011 1 6 . 1 1 512 512 HIS CA C 512 57.507 57.507 58.473 -0.966 18462 4012 1 6 . 1 1 512 512 HIS CB C 512 27.390 27.390 30.043 -2.652 18462 4013 1 6 . 1 1 512 512 HIS H H 512 7.809 7.809 7.835 -0.026 18462 4014 1 6 . 1 1 513 513 PHE N N 513 118.415 118.415 121.088 -2.673 18462 4015 1 6 . 1 1 513 513 PHE HA H 513 3.620 3.620 3.879 -0.259 18462 4016 1 6 . 1 1 513 513 PHE C C 513 176.026 176.026 176.604 -0.578 18462 4017 1 6 . 1 1 513 513 PHE CA C 513 61.102 61.102 61.432 -0.330 18462 4018 1 6 . 1 1 513 513 PHE CB C 513 38.996 38.996 38.895 0.101 18462 4019 1 6 . 1 1 513 513 PHE H H 513 8.898 8.898 8.787 0.111 18462 4020 1 6 . 1 1 514 514 ASN N N 514 114.080 114.080 119.042 -4.962 18462 4021 1 6 . 1 1 514 514 ASN HA H 514 4.988 4.988 4.290 0.698 18462 4022 1 6 . 1 1 514 514 ASN C C 514 176.236 176.236 177.280 -1.044 18462 4023 1 6 . 1 1 514 514 ASN CA C 514 55.006 55.006 55.728 -0.722 18462 4024 1 6 . 1 1 514 514 ASN CB C 514 40.129 40.129 38.548 1.581 18462 4025 1 6 . 1 1 514 514 ASN H H 514 8.678 8.678 7.685 0.993 18462 4026 1 6 . 1 1 515 515 ILE N N 515 114.035 114.035 118.598 -4.563 18462 4027 1 6 . 1 1 515 515 ILE HA H 515 2.997 2.997 3.107 -0.110 18462 4028 1 6 . 1 1 515 515 ILE C C 515 176.292 176.292 176.570 -0.278 18462 4029 1 6 . 1 1 515 515 ILE CA C 515 63.447 63.447 63.522 -0.075 18462 4030 1 6 . 1 1 515 515 ILE CB C 515 37.198 37.198 37.451 -0.253 18462 4031 1 6 . 1 1 515 515 ILE H H 515 7.919 7.919 7.878 0.041 18462 4032 1 6 . 1 1 516 516 HIS N N 516 113.136 113.136 117.245 -4.109 18462 4033 1 6 . 1 1 516 516 HIS HA H 516 4.767 4.767 4.520 0.247 18462 4034 1 6 . 1 1 516 516 HIS C C 516 175.870 175.870 177.272 -1.402 18462 4035 1 6 . 1 1 516 516 HIS CA C 516 54.542 54.542 58.094 -3.552 18462 4036 1 6 . 1 1 516 516 HIS CB C 516 27.585 27.585 30.164 -2.579 18462 4037 1 6 . 1 1 516 516 HIS H H 516 7.170 7.170 7.449 -0.279 18462 4038 1 6 . 1 1 517 517 SER N N 517 112.852 112.852 114.389 -1.537 18462 4039 1 6 . 1 1 517 517 SER HA H 517 4.359 4.359 4.279 0.080 18462 4040 1 6 . 1 1 517 517 SER C C 517 177.067 177.067 175.731 1.336 18462 4041 1 6 . 1 1 517 517 SER CA C 517 58.758 58.758 60.799 -2.041 18462 4042 1 6 . 1 1 517 517 SER CB C 517 63.447 63.447 63.907 -0.460 18462 4043 1 6 . 1 1 517 517 SER H H 517 7.886 7.886 7.818 0.068 18462 4044 1 6 . 1 1 518 518 TRP N N 518 122.824 122.824 118.489 4.335 18462 4045 1 6 . 1 1 518 518 TRP HA H 518 4.005 4.005 4.386 -0.381 18462 4046 1 6 . 1 1 518 518 TRP C C 518 175.133 175.133 175.724 -0.591 18462 4047 1 6 . 1 1 518 518 TRP CA C 518 57.820 57.820 58.411 -0.591 18462 4048 1 6 . 1 1 518 518 TRP CB C 518 25.710 25.710 26.894 -1.184 18462 4049 1 6 . 1 1 518 518 TRP H H 518 9.274 9.274 7.704 1.570 18462 4050 1 6 . 1 1 519 519 GLU N N 519 119.673 119.673 117.511 2.162 18462 4051 1 6 . 1 1 519 519 GLU HA H 519 4.042 4.042 4.214 -0.172 18462 4052 1 6 . 1 1 519 519 GLU C C 519 175.353 175.353 176.672 -1.319 18462 4053 1 6 . 1 1 519 519 GLU CA C 519 58.758 58.758 58.069 0.689 18462 4054 1 6 . 1 1 519 519 GLU CB C 519 29.695 29.695 30.655 -0.960 18462 4055 1 6 . 1 1 519 519 GLU H H 519 7.828 7.828 7.771 0.057 18462 4056 1 6 . 1 1 520 520 LYS N N 520 118.358 118.358 119.161 -0.803 18462 4057 1 6 . 1 1 520 520 LYS HA H 520 4.544 4.544 4.373 0.171 18462 4058 1 6 . 1 1 520 520 LYS C C 520 178.036 178.036 174.863 3.173 18462 4059 1 6 . 1 1 520 520 LYS CA C 520 53.845 53.845 55.073 -1.228 18462 4060 1 6 . 1 1 520 520 LYS CB C 520 34.385 34.385 33.503 0.882 18462 4061 1 6 . 1 1 520 520 LYS H H 520 9.085 9.085 8.145 0.940 18462 4062 1 6 . 1 1 521 521 LYS N N 521 118.859 118.859 122.419 -3.560 18462 4063 1 6 . 1 1 521 521 LYS HA H 521 4.658 4.658 4.268 0.390 18462 4064 1 6 . 1 1 521 521 LYS C C 521 175.168 175.168 175.847 -0.679 18462 4065 1 6 . 1 1 521 521 LYS CA C 521 54.537 54.537 55.494 -0.957 18462 4066 1 6 . 1 1 521 521 LYS CB C 521 35.323 35.323 34.025 1.298 18462 4067 1 6 . 1 1 521 521 LYS H H 521 8.238 8.238 8.161 0.077 18462 4068 1 6 . 1 1 522 522 TYR N N 522 117.305 117.305 120.702 -3.397 18462 4069 1 6 . 1 1 522 522 TYR HA H 522 5.028 5.028 4.926 0.102 18462 4070 1 6 . 1 1 522 522 TYR C C 522 175.016 175.016 173.808 1.208 18462 4071 1 6 . 1 1 522 522 TYR CA C 522 54.537 54.537 55.042 -0.505 18462 4072 1 6 . 1 1 522 522 TYR CB C 522 37.198 37.198 38.271 -1.073 18462 4073 1 6 . 1 1 522 522 TYR H H 522 7.788 7.788 8.383 -0.595 18462 4074 1 6 . 1 1 523 523 PRO HA H 523 5.026 5.026 4.758 0.268 18462 4075 1 6 . 1 1 523 523 PRO CA C 523 61.806 61.806 62.416 -0.610 18462 4076 1 6 . 1 1 523 523 PRO CB C 523 31.839 31.839 31.990 -0.151 18462 4077 1 6 . 1 1 524 524 CYS N N 524 126.569 126.569 124.411 2.158 18462 4078 1 6 . 1 1 524 524 CYS HA H 524 4.739 4.739 4.828 -0.089 18462 4079 1 6 . 1 1 524 524 CYS C C 524 176.841 176.841 176.422 0.419 18462 4080 1 6 . 1 1 524 524 CYS CA C 524 60.290 60.290 58.231 2.059 18462 4081 1 6 . 1 1 524 524 CYS CB C 524 29.344 29.344 29.427 -0.083 18462 4082 1 6 . 1 1 524 524 CYS H H 524 9.210 9.210 8.497 0.713 18462 4083 1 6 . 1 1 525 525 ARG N N 525 130.294 130.294 125.411 4.883 18462 4084 1 6 . 1 1 525 525 ARG HA H 525 4.285 4.285 4.147 0.138 18462 4085 1 6 . 1 1 525 525 ARG C C 525 176.390 176.390 177.587 -1.197 18462 4086 1 6 . 1 1 525 525 ARG CA C 525 58.043 58.043 57.422 0.621 18462 4087 1 6 . 1 1 525 525 ARG CB C 525 27.576 27.576 29.827 -2.251 18462 4088 1 6 . 1 1 525 525 ARG H H 525 9.724 9.724 9.054 0.670 18462 4089 1 6 . 1 1 526 526 TYR N N 526 122.622 122.622 116.012 6.610 18462 4090 1 6 . 1 1 526 526 TYR HA H 526 4.517 4.517 4.348 0.169 18462 4091 1 6 . 1 1 526 526 TYR C C 526 176.659 176.659 175.938 0.721 18462 4092 1 6 . 1 1 526 526 TYR CA C 526 58.054 58.054 58.064 -0.010 18462 4093 1 6 . 1 1 526 526 TYR CB C 526 37.628 37.628 38.114 -0.486 18462 4094 1 6 . 1 1 526 526 TYR H H 526 10.439 10.439 8.338 2.101 18462 4095 1 6 . 1 1 527 527 CYS N N 527 122.873 122.873 115.775 7.098 18462 4096 1 6 . 1 1 527 527 CYS HA H 527 5.153 5.153 4.939 0.214 18462 4097 1 6 . 1 1 527 527 CYS C C 527 175.243 175.243 173.736 1.507 18462 4098 1 6 . 1 1 527 527 CYS CA C 527 58.148 58.148 56.178 1.970 18462 4099 1 6 . 1 1 527 527 CYS CB C 527 30.164 30.164 31.675 -1.511 18462 4100 1 6 . 1 1 527 527 CYS H H 527 8.462 8.462 7.619 0.843 18462 4101 1 6 . 1 1 528 528 GLU N N 528 115.906 115.906 118.682 -2.776 18462 4102 1 6 . 1 1 528 528 GLU HA H 528 4.453 4.453 4.276 0.177 18462 4103 1 6 . 1 1 528 528 GLU C C 528 173.484 173.484 176.007 -2.523 18462 4104 1 6 . 1 1 528 528 GLU CA C 528 57.390 57.390 56.173 1.217 18462 4105 1 6 . 1 1 528 528 GLU CB C 528 29.608 29.608 28.517 1.091 18462 4106 1 6 . 1 1 528 528 GLU H H 528 8.704 8.704 8.623 0.081 18462 4107 1 6 . 1 1 529 529 LYS N N 529 125.068 125.068 120.397 4.671 18462 4108 1 6 . 1 1 529 529 LYS HA H 529 4.041 4.041 4.393 -0.352 18462 4109 1 6 . 1 1 529 529 LYS C C 529 176.881 176.881 174.944 1.937 18462 4110 1 6 . 1 1 529 529 LYS CA C 529 57.585 57.585 55.692 1.893 18462 4111 1 6 . 1 1 529 529 LYS CB C 529 33.212 33.212 34.151 -0.939 18462 4112 1 6 . 1 1 529 529 LYS H H 529 8.696 8.696 7.727 0.969 18462 4113 1 6 . 1 1 530 530 VAL N N 530 119.525 119.525 120.285 -0.760 18462 4114 1 6 . 1 1 530 530 VAL HA H 530 4.541 4.541 4.365 0.176 18462 4115 1 6 . 1 1 530 530 VAL C C 530 175.118 175.118 175.300 -0.182 18462 4116 1 6 . 1 1 530 530 VAL CA C 530 60.633 60.633 60.988 -0.355 18462 4117 1 6 . 1 1 530 530 VAL CB C 530 34.150 34.150 33.750 0.400 18462 4118 1 6 . 1 1 530 530 VAL H H 530 8.054 8.054 8.331 -0.277 18462 4119 1 6 . 1 1 531 531 PHE N N 531 122.568 122.568 126.192 -3.624 18462 4120 1 6 . 1 1 531 531 PHE C C 531 174.185 174.185 174.804 -0.619 18462 4121 1 6 . 1 1 531 531 PHE CA C 531 55.586 55.586 55.350 0.236 18462 4122 1 6 . 1 1 531 531 PHE CB C 531 41.184 41.184 40.498 0.686 18462 4123 1 6 . 1 1 531 531 PHE H H 531 8.167 8.167 8.729 -0.562 18462 4124 1 6 . 1 1 532 532 PRO HA H 532 4.359 4.359 4.144 0.215 18462 4125 1 6 . 1 1 532 532 PRO CA C 532 62.216 62.216 62.999 -0.783 18462 4126 1 6 . 1 1 532 532 PRO CB C 532 29.930 29.930 32.025 -2.095 18462 4127 1 6 . 1 1 533 533 LEU N N 533 122.335 122.335 117.387 4.948 18462 4128 1 6 . 1 1 533 533 LEU HA H 533 4.086 4.086 4.354 -0.268 18462 4129 1 6 . 1 1 533 533 LEU C C 533 175.091 175.091 176.950 -1.859 18462 4130 1 6 . 1 1 533 533 LEU CA C 533 55.006 55.006 53.185 1.821 18462 4131 1 6 . 1 1 533 533 LEU CB C 533 43.529 43.529 44.688 -1.159 18462 4132 1 6 . 1 1 533 533 LEU H H 533 6.587 6.587 7.618 -1.031 18462 4133 1 6 . 1 1 534 534 ALA N N 534 126.722 126.722 126.626 0.096 18462 4134 1 6 . 1 1 534 534 ALA HA H 534 2.993 2.993 3.448 -0.455 18462 4135 1 6 . 1 1 534 534 ALA C C 534 175.439 175.439 178.733 -3.294 18462 4136 1 6 . 1 1 534 534 ALA CA C 534 54.537 54.537 55.015 -0.478 18462 4137 1 6 . 1 1 534 534 ALA CB C 534 18.452 18.452 17.484 0.968 18462 4138 1 6 . 1 1 534 534 ALA H H 534 7.698 7.698 8.053 -0.355 18462 4139 1 6 . 1 1 535 535 GLU N N 535 119.354 119.354 118.151 1.203 18462 4140 1 6 . 1 1 535 535 GLU HA H 535 4.675 4.675 4.028 0.647 18462 4141 1 6 . 1 1 535 535 GLU C C 535 180.126 180.126 178.331 1.795 18462 4142 1 6 . 1 1 535 535 GLU CA C 535 58.526 58.526 59.102 -0.576 18462 4143 1 6 . 1 1 535 535 GLU H H 535 9.535 9.535 8.688 0.847 18462 4144 1 6 . 1 1 536 536 TYR N N 536 114.592 114.592 119.720 -5.128 18462 4145 1 6 . 1 1 536 536 TYR HA H 536 4.368 4.368 4.146 0.222 18462 4146 1 6 . 1 1 536 536 TYR C C 536 178.004 178.004 178.087 -0.083 18462 4147 1 6 . 1 1 536 536 TYR CA C 536 56.179 56.179 58.293 -2.114 18462 4148 1 6 . 1 1 536 536 TYR CB C 536 35.556 35.556 37.420 -1.864 18462 4149 1 6 . 1 1 536 536 TYR H H 536 6.552 6.552 8.003 -1.451 18462 4150 1 6 . 1 1 537 537 ARG N N 537 119.820 119.820 119.584 0.236 18462 4151 1 6 . 1 1 537 537 ARG HA H 537 3.209 3.209 3.031 0.178 18462 4152 1 6 . 1 1 537 537 ARG C C 537 179.469 179.469 178.206 1.263 18462 4153 1 6 . 1 1 537 537 ARG CA C 537 59.131 59.131 60.021 -0.890 18462 4154 1 6 . 1 1 537 537 ARG CB C 537 27.179 27.179 29.965 -2.786 18462 4155 1 6 . 1 1 537 537 ARG H H 537 7.016 7.016 7.561 -0.545 18462 4156 1 6 . 1 1 538 538 THR N N 538 120.080 120.080 117.141 2.939 18462 4157 1 6 . 1 1 538 538 THR HA H 538 3.939 3.939 3.940 -0.001 18462 4158 1 6 . 1 1 538 538 THR C C 538 177.538 177.538 176.669 0.869 18462 4159 1 6 . 1 1 538 538 THR CA C 538 66.026 66.026 66.769 -0.743 18462 4160 1 6 . 1 1 538 538 THR CB C 538 66.964 66.964 68.656 -1.692 18462 4161 1 6 . 1 1 538 538 THR H H 538 8.410 8.410 8.225 0.185 18462 4162 1 6 . 1 1 539 539 LYS N N 539 117.252 117.252 119.505 -2.253 18462 4163 1 6 . 1 1 539 539 LYS HA H 539 4.054 4.054 4.070 -0.016 18462 4164 1 6 . 1 1 539 539 LYS C C 539 176.139 176.139 179.006 -2.867 18462 4165 1 6 . 1 1 539 539 LYS CA C 539 57.116 57.116 58.649 -1.533 18462 4166 1 6 . 1 1 539 539 LYS CB C 539 31.859 31.859 31.800 0.059 18462 4167 1 6 . 1 1 539 539 LYS H H 539 8.012 8.012 8.382 -0.370 18462 4168 1 6 . 1 1 540 540 HIS N N 540 118.983 118.983 119.288 -0.305 18462 4169 1 6 . 1 1 540 540 HIS HA H 540 4.548 4.548 4.332 0.216 18462 4170 1 6 . 1 1 540 540 HIS C C 540 179.568 179.568 177.402 2.166 18462 4171 1 6 . 1 1 540 540 HIS CA C 540 58.758 58.758 59.473 -0.715 18462 4172 1 6 . 1 1 540 540 HIS CB C 540 28.260 28.260 29.838 -1.578 18462 4173 1 6 . 1 1 540 540 HIS H H 540 7.536 7.536 7.755 -0.219 18462 4174 1 6 . 1 1 541 541 GLU N N 541 122.073 122.073 119.839 2.234 18462 4175 1 6 . 1 1 541 541 GLU HA H 541 4.215 4.215 4.238 -0.023 18462 4176 1 6 . 1 1 541 541 GLU C C 541 177.829 177.829 179.067 -1.238 18462 4177 1 6 . 1 1 541 541 GLU CA C 541 61.181 61.181 59.128 2.053 18462 4178 1 6 . 1 1 541 541 GLU CB C 541 29.712 29.712 29.687 0.025 18462 4179 1 6 . 1 1 541 541 GLU H H 541 9.540 9.540 8.581 0.959 18462 4180 1 6 . 1 1 542 542 ILE N N 542 121.307 121.307 120.627 0.680 18462 4181 1 6 . 1 1 542 542 ILE HA H 542 4.335 4.335 3.792 0.543 18462 4182 1 6 . 1 1 542 542 ILE C C 542 179.666 179.666 177.533 2.133 18462 4183 1 6 . 1 1 542 542 ILE CA C 542 61.806 61.806 65.084 -3.278 18462 4184 1 6 . 1 1 542 542 ILE CB C 542 36.729 36.729 38.203 -1.474 18462 4185 1 6 . 1 1 542 542 ILE H H 542 8.275 8.275 8.334 -0.059 18462 4186 1 6 . 1 1 543 543 HIS N N 543 118.514 118.514 118.319 0.195 18462 4187 1 6 . 1 1 543 543 HIS HA H 543 4.257 4.257 4.331 -0.074 18462 4188 1 6 . 1 1 543 543 HIS C C 543 178.283 178.283 177.341 0.942 18462 4189 1 6 . 1 1 543 543 HIS CA C 543 58.758 58.758 59.151 -0.393 18462 4190 1 6 . 1 1 543 543 HIS CB C 543 26.882 26.882 29.535 -2.653 18462 4191 1 6 . 1 1 543 543 HIS H H 543 7.744 7.744 7.354 0.390 18462 4192 1 6 . 1 1 544 544 HIS N N 544 115.805 115.805 117.451 -1.646 18462 4193 1 6 . 1 1 544 544 HIS HA H 544 4.317 4.317 4.374 -0.057 18462 4194 1 6 . 1 1 544 544 HIS C C 544 178.058 178.058 176.872 1.186 18462 4195 1 6 . 1 1 544 544 HIS CA C 544 58.054 58.054 58.682 -0.628 18462 4196 1 6 . 1 1 544 544 HIS CB C 544 36.882 36.882 30.139 6.743 18462 4197 1 6 . 1 1 544 544 HIS H H 544 7.537 7.537 7.773 -0.236 18462 4198 1 6 . 1 1 545 545 THR N N 545 109.469 109.469 110.156 -0.687 18462 4199 1 6 . 1 1 545 545 THR HA H 545 4.184 4.184 4.209 -0.025 18462 4200 1 6 . 1 1 545 545 THR C C 545 177.277 177.277 175.659 1.618 18462 4201 1 6 . 1 1 545 545 THR CA C 545 62.509 62.509 62.743 -0.234 18462 4202 1 6 . 1 1 545 545 THR CB C 545 68.839 68.839 69.389 -0.550 18462 4203 1 6 . 1 1 545 545 THR H H 545 7.991 7.991 7.958 0.033 18462 4204 1 6 . 1 1 546 546 GLY N N 546 113.407 113.407 110.678 2.729 18462 4205 1 6 . 1 1 546 546 GLY C C 546 177.501 177.501 174.146 3.355 18462 4206 1 6 . 1 1 546 546 GLY CA C 546 44.935 44.935 45.405 -0.470 18462 4207 1 6 . 1 1 546 546 GLY H H 546 8.530 8.530 7.827 0.703 18462 4208 1 6 . 1 1 547 547 GLU N N 547 123.901 123.901 121.216 2.685 18462 4209 1 6 . 1 1 547 547 GLU HA H 547 3.913 3.913 4.095 -0.182 18462 4210 1 6 . 1 1 547 547 GLU C C 547 173.687 173.687 176.013 -2.326 18462 4211 1 6 . 1 1 547 547 GLU CA C 547 56.413 56.413 56.479 -0.066 18462 4212 1 6 . 1 1 547 547 GLU CB C 547 29.123 29.123 30.021 -0.898 18462 4213 1 6 . 1 1 547 547 GLU H H 547 7.301 7.301 7.676 -0.375 18462 4214 1 6 . 1 1 548 548 ARG N N 548 128.505 128.505 127.365 1.140 18462 4215 1 6 . 1 1 548 548 ARG HA H 548 4.444 4.444 4.643 -0.199 18462 4216 1 6 . 1 1 548 548 ARG C C 548 175.180 175.180 175.642 -0.462 18462 4217 1 6 . 1 1 548 548 ARG CA C 548 55.059 55.059 56.215 -1.156 18462 4218 1 6 . 1 1 548 548 ARG CB C 548 29.227 29.227 29.905 -0.678 18462 4219 1 6 . 1 1 548 548 ARG H H 548 8.752 8.752 8.383 0.369 18462 4220 1 6 . 1 1 549 549 ARG N N 549 121.815 121.815 120.224 1.591 18462 4221 1 6 . 1 1 549 549 ARG HA H 549 4.205 4.205 4.405 -0.200 18462 4222 1 6 . 1 1 549 549 ARG C C 549 175.850 175.850 176.612 -0.762 18462 4223 1 6 . 1 1 549 549 ARG CA C 549 57.350 57.350 57.204 0.146 18462 4224 1 6 . 1 1 549 549 ARG CB C 549 32.980 32.980 31.279 1.701 18462 4225 1 6 . 1 1 549 549 ARG H H 549 9.440 9.440 8.279 1.161 18462 4226 1 6 . 1 1 550 550 TYR N N 550 116.087 116.087 121.149 -5.062 18462 4227 1 6 . 1 1 550 550 TYR C C 550 176.129 176.129 174.923 1.206 18462 4228 1 6 . 1 1 550 550 TYR CA C 550 58.169 58.169 58.332 -0.163 18462 4229 1 6 . 1 1 550 550 TYR CB C 550 38.994 38.994 36.905 2.089 18462 4230 1 6 . 1 1 550 550 TYR H H 550 8.287 8.287 8.385 -0.098 18462 4231 1 6 . 1 1 551 551 GLN N N 551 125.096 125.096 124.782 0.314 18462 4232 1 6 . 1 1 551 551 GLN HA H 551 5.275 5.275 5.040 0.235 18462 4233 1 6 . 1 1 551 551 GLN C C 551 175.080 175.080 174.916 0.164 18462 4234 1 6 . 1 1 551 551 GLN CA C 551 53.610 53.610 54.598 -0.988 18462 4235 1 6 . 1 1 551 551 GLN CB C 551 31.152 31.152 31.722 -0.570 18462 4236 1 6 . 1 1 551 551 GLN H H 551 9.656 9.656 9.196 0.460 18462 4237 1 6 . 1 1 552 552 CYS N N 552 128.697 128.697 126.032 2.665 18462 4238 1 6 . 1 1 552 552 CYS HA H 552 4.584 4.584 4.812 -0.228 18462 4239 1 6 . 1 1 552 552 CYS C C 552 175.231 175.231 175.287 -0.056 18462 4240 1 6 . 1 1 552 552 CYS CA C 552 59.461 59.461 60.038 -0.577 18462 4241 1 6 . 1 1 552 552 CYS CB C 552 29.695 29.695 28.402 1.293 18462 4242 1 6 . 1 1 552 552 CYS H H 552 9.427 9.427 9.302 0.125 18462 4243 1 6 . 1 1 553 553 LEU N N 553 130.168 130.168 125.829 4.339 18462 4244 1 6 . 1 1 553 553 LEU HA H 553 4.396 4.396 4.491 -0.095 18462 4245 1 6 . 1 1 553 553 LEU C C 553 177.402 177.402 178.015 -0.613 18462 4246 1 6 . 1 1 553 553 LEU CA C 553 55.710 55.710 56.120 -0.410 18462 4247 1 6 . 1 1 553 553 LEU CB C 553 40.246 40.246 42.181 -1.935 18462 4248 1 6 . 1 1 553 553 LEU H H 553 8.632 8.632 9.040 -0.408 18462 4249 1 6 . 1 1 554 554 ALA N N 554 125.048 125.048 123.228 1.820 18462 4250 1 6 . 1 1 554 554 ALA HA H 554 4.295 4.295 4.120 0.175 18462 4251 1 6 . 1 1 554 554 ALA C C 554 177.657 177.657 178.129 -0.472 18462 4252 1 6 . 1 1 554 554 ALA CA C 554 53.610 53.610 54.310 -0.700 18462 4253 1 6 . 1 1 554 554 ALA CB C 554 16.577 16.577 18.807 -2.230 18462 4254 1 6 . 1 1 554 554 ALA H H 554 8.847 8.847 8.213 0.634 18462 4255 1 6 . 1 1 555 555 CYS N N 555 113.388 113.388 112.517 0.871 18462 4256 1 6 . 1 1 555 555 CYS HA H 555 5.299 5.299 4.990 0.309 18462 4257 1 6 . 1 1 555 555 CYS C C 555 178.854 178.854 175.852 3.002 18462 4258 1 6 . 1 1 555 555 CYS CA C 555 57.820 57.820 57.231 0.589 18462 4259 1 6 . 1 1 555 555 CYS CB C 555 31.665 31.665 29.520 2.145 18462 4260 1 6 . 1 1 555 555 CYS H H 555 8.146 8.146 7.808 0.338 18462 4261 1 6 . 1 1 556 556 GLY N N 556 114.264 114.264 109.797 4.467 18462 4262 1 6 . 1 1 556 556 GLY C C 556 176.084 176.084 174.684 1.400 18462 4263 1 6 . 1 1 556 556 GLY CA C 556 45.639 45.639 45.504 0.135 18462 4264 1 6 . 1 1 556 556 GLY H H 556 8.104 8.104 8.499 -0.395 18462 4265 1 6 . 1 1 557 557 LYS N N 557 123.318 123.318 121.293 2.025 18462 4266 1 6 . 1 1 557 557 LYS HA H 557 4.110 4.110 4.109 0.001 18462 4267 1 6 . 1 1 557 557 LYS C C 557 174.300 174.300 175.689 -1.389 18462 4268 1 6 . 1 1 557 557 LYS CA C 557 57.585 57.585 56.708 0.877 18462 4269 1 6 . 1 1 557 557 LYS CB C 557 33.447 33.447 33.026 0.420 18462 4270 1 6 . 1 1 557 557 LYS H H 557 8.043 8.043 7.586 0.457 18462 4271 1 6 . 1 1 558 558 SER N N 558 115.947 115.947 116.926 -0.979 18462 4272 1 6 . 1 1 558 558 SER HA H 558 5.661 5.661 4.986 0.675 18462 4273 1 6 . 1 1 558 558 SER C C 558 174.321 174.321 173.099 1.222 18462 4274 1 6 . 1 1 558 558 SER CA C 558 56.179 56.179 57.148 -0.969 18462 4275 1 6 . 1 1 558 558 SER CB C 558 65.088 65.088 65.101 -0.013 18462 4276 1 6 . 1 1 558 558 SER H H 558 7.864 7.864 8.126 -0.262 18462 4277 1 6 . 1 1 559 559 PHE N N 559 117.815 117.815 120.000 -2.185 18462 4278 1 6 . 1 1 559 559 PHE HA H 559 4.781 4.781 4.757 0.024 18462 4279 1 6 . 1 1 559 559 PHE C C 559 173.632 173.632 175.714 -2.082 18462 4280 1 6 . 1 1 559 559 PHE CA C 559 56.687 56.687 56.954 -0.267 18462 4281 1 6 . 1 1 559 559 PHE CB C 559 44.232 44.232 42.138 2.094 18462 4282 1 6 . 1 1 559 559 PHE H H 559 9.488 9.488 8.829 0.659 18462 4283 1 6 . 1 1 560 560 ILE N N 560 118.092 118.092 119.314 -1.222 18462 4284 1 6 . 1 1 560 560 ILE HA H 560 4.470 4.470 4.226 0.244 18462 4285 1 6 . 1 1 560 560 ILE C C 560 175.986 175.986 174.737 1.249 18462 4286 1 6 . 1 1 560 560 ILE CA C 560 62.040 62.040 62.710 -0.670 18462 4287 1 6 . 1 1 560 560 ILE CB C 560 39.308 39.308 38.450 0.857 18462 4288 1 6 . 1 1 560 560 ILE H H 560 9.306 9.306 8.510 0.796 18462 4289 1 6 . 1 1 561 561 ASN N N 561 114.751 114.751 112.548 2.203 18462 4290 1 6 . 1 1 561 561 ASN HA H 561 4.683 4.683 4.655 0.028 18462 4291 1 6 . 1 1 561 561 ASN C C 561 175.350 175.350 174.306 1.044 18462 4292 1 6 . 1 1 561 561 ASN CA C 561 50.797 50.797 51.799 -1.002 18462 4293 1 6 . 1 1 561 561 ASN CB C 561 39.777 39.777 40.024 -0.247 18462 4294 1 6 . 1 1 561 561 ASN H H 561 7.387 7.387 7.555 -0.168 18462 4295 1 6 . 1 1 562 562 TYR N N 562 118.833 118.833 120.077 -1.244 18462 4296 1 6 . 1 1 562 562 TYR C C 562 172.730 172.730 177.045 -4.315 18462 4297 1 6 . 1 1 562 562 TYR CA C 562 59.907 59.907 62.040 -2.133 18462 4298 1 6 . 1 1 562 562 TYR CB C 562 38.480 38.480 38.220 0.260 18462 4299 1 6 . 1 1 562 562 TYR H H 562 8.243 8.243 8.268 -0.025 18462 4300 1 6 . 1 1 563 563 GLN N N 563 119.525 119.525 118.197 1.328 18462 4301 1 6 . 1 1 563 563 GLN HA H 563 3.720 3.720 3.968 -0.248 18462 4302 1 6 . 1 1 563 563 GLN C C 563 176.326 176.326 178.306 -1.980 18462 4303 1 6 . 1 1 563 563 GLN CA C 563 61.102 61.102 59.484 1.617 18462 4304 1 6 . 1 1 563 563 GLN CB C 563 25.450 25.450 27.656 -2.206 18462 4305 1 6 . 1 1 563 563 GLN H H 563 8.524 8.524 8.340 0.184 18462 4306 1 6 . 1 1 564 564 PHE N N 564 118.625 118.625 119.611 -0.986 18462 4307 1 6 . 1 1 564 564 PHE HA H 564 4.427 4.427 4.128 0.299 18462 4308 1 6 . 1 1 564 564 PHE C C 564 179.429 179.429 177.488 1.941 18462 4309 1 6 . 1 1 564 564 PHE CA C 564 59.461 59.461 60.703 -1.242 18462 4310 1 6 . 1 1 564 564 PHE CB C 564 38.488 38.488 38.637 -0.149 18462 4311 1 6 . 1 1 564 564 PHE H H 564 8.904 8.904 8.967 -0.063 18462 4312 1 6 . 1 1 565 565 MET N N 565 120.996 120.996 118.647 2.349 18462 4313 1 6 . 1 1 565 565 MET HA H 565 3.720 3.720 3.149 0.571 18462 4314 1 6 . 1 1 565 565 MET C C 565 178.642 178.642 177.645 0.997 18462 4315 1 6 . 1 1 565 565 MET CA C 565 58.037 58.037 58.167 -0.130 18462 4316 1 6 . 1 1 565 565 MET H H 565 7.153 7.153 7.858 -0.705 18462 4317 1 6 . 1 1 566 566 SER N N 566 115.706 115.706 115.339 0.367 18462 4318 1 6 . 1 1 566 566 SER HA H 566 3.720 3.720 3.822 -0.102 18462 4319 1 6 . 1 1 566 566 SER C C 566 176.710 176.710 176.690 0.020 18462 4320 1 6 . 1 1 566 566 SER CA C 566 60.633 60.633 61.351 -0.718 18462 4321 1 6 . 1 1 566 566 SER CB C 566 62.040 62.040 62.521 -0.481 18462 4322 1 6 . 1 1 566 566 SER H H 566 8.918 8.918 8.116 0.802 18462 4323 1 6 . 1 1 567 567 SER N N 567 114.335 114.335 117.206 -2.871 18462 4324 1 6 . 1 1 567 567 SER HA H 567 4.212 4.212 4.042 0.170 18462 4325 1 6 . 1 1 567 567 SER C C 567 176.849 176.849 176.547 0.302 18462 4326 1 6 . 1 1 567 567 SER CA C 567 60.868 60.868 61.297 -0.429 18462 4327 1 6 . 1 1 567 567 SER CB C 567 61.806 61.806 63.105 -1.299 18462 4328 1 6 . 1 1 567 567 SER H H 567 7.933 7.933 7.737 0.196 18462 4329 1 6 . 1 1 568 568 HIS N N 568 120.659 120.659 122.330 -1.671 18462 4330 1 6 . 1 1 568 568 HIS HA H 568 4.327 4.327 4.292 0.035 18462 4331 1 6 . 1 1 568 568 HIS C C 568 177.652 177.652 177.443 0.209 18462 4332 1 6 . 1 1 568 568 HIS CA C 568 58.992 58.992 59.261 -0.269 18462 4333 1 6 . 1 1 568 568 HIS CB C 568 27.234 27.234 29.275 -2.041 18462 4334 1 6 . 1 1 568 568 HIS H H 568 7.594 7.594 8.044 -0.450 18462 4335 1 6 . 1 1 569 569 ILE N N 569 120.858 120.858 119.600 1.258 18462 4336 1 6 . 1 1 569 569 ILE HA H 569 3.562 3.562 3.506 0.057 18462 4337 1 6 . 1 1 569 569 ILE C C 569 175.925 175.925 178.091 -2.166 18462 4338 1 6 . 1 1 569 569 ILE CA C 569 66.729 66.729 65.151 1.578 18462 4339 1 6 . 1 1 569 569 ILE CB C 569 37.198 37.198 38.004 -0.806 18462 4340 1 6 . 1 1 569 569 ILE H H 569 8.640 8.640 8.183 0.457 18462 4341 1 6 . 1 1 570 570 LYS N N 570 118.876 118.876 119.536 -0.660 18462 4342 1 6 . 1 1 570 570 LYS HA H 570 4.329 4.329 4.229 0.100 18462 4343 1 6 . 1 1 570 570 LYS C C 570 178.927 178.927 178.860 0.067 18462 4344 1 6 . 1 1 570 570 LYS CA C 570 59.461 59.461 59.134 0.327 18462 4345 1 6 . 1 1 570 570 LYS CB C 570 32.743 32.743 32.332 0.411 18462 4346 1 6 . 1 1 570 570 LYS H H 570 8.463 8.463 8.191 0.272 18462 4347 1 6 . 1 1 571 571 SER N N 571 112.612 112.612 114.786 -2.174 18462 4348 1 6 . 1 1 571 571 SER HA H 571 4.323 4.323 4.416 -0.093 18462 4349 1 6 . 1 1 571 571 SER C C 571 179.258 179.258 175.882 3.376 18462 4350 1 6 . 1 1 571 571 SER CA C 571 59.930 59.930 60.759 -0.829 18462 4351 1 6 . 1 1 571 571 SER CB C 571 62.978 62.978 63.515 -0.537 18462 4352 1 6 . 1 1 571 571 SER H H 571 7.997 7.997 7.694 0.303 18462 4353 1 6 . 1 1 572 572 VAL N N 572 120.208 120.208 121.146 -0.938 18462 4354 1 6 . 1 1 572 572 VAL HA H 572 3.789 3.789 3.812 -0.023 18462 4355 1 6 . 1 1 572 572 VAL C C 572 176.245 176.245 177.222 -0.977 18462 4356 1 6 . 1 1 572 572 VAL CA C 572 63.916 63.916 64.381 -0.465 18462 4357 1 6 . 1 1 572 572 VAL CB C 572 31.337 31.337 31.968 -0.631 18462 4358 1 6 . 1 1 572 572 VAL H H 572 8.615 8.615 7.829 0.786 18462 4359 1 6 . 1 1 573 573 HIS N N 573 113.735 113.735 116.702 -2.967 18462 4360 1 6 . 1 1 573 573 HIS HA H 573 5.102 5.102 4.709 0.393 18462 4361 1 6 . 1 1 573 573 HIS C C 573 177.042 177.042 175.326 1.716 18462 4362 1 6 . 1 1 573 573 HIS CA C 573 53.376 53.376 55.481 -2.105 18462 4363 1 6 . 1 1 573 573 HIS CB C 573 28.210 28.210 30.379 -2.169 18462 4364 1 6 . 1 1 573 573 HIS H H 573 7.067 7.067 7.666 -0.599 18462 4365 1 6 . 1 1 574 574 SER N N 574 112.537 112.537 112.852 -0.315 18462 4366 1 6 . 1 1 574 574 SER HA H 574 4.421 4.421 4.314 0.107 18462 4367 1 6 . 1 1 574 574 SER C C 574 174.525 174.525 173.769 0.756 18462 4368 1 6 . 1 1 574 574 SER CA C 574 58.054 58.054 59.720 -1.666 18462 4369 1 6 . 1 1 574 574 SER CB C 574 61.102 61.102 61.538 -0.436 18462 4370 1 6 . 1 1 574 574 SER H H 574 7.325 7.325 8.062 -0.737 18462 4371 1 6 . 1 1 575 575 GLN N N 575 117.032 117.032 117.043 -0.011 18462 4372 1 6 . 1 1 575 575 GLN HA H 575 4.659 4.659 4.539 0.120 18462 4373 1 6 . 1 1 575 575 GLN C C 575 173.993 173.993 173.512 0.481 18462 4374 1 6 . 1 1 575 575 GLN CA C 575 53.376 53.376 53.896 -0.520 18462 4375 1 6 . 1 1 575 575 GLN CB C 575 32.743 32.743 33.349 -0.606 18462 4376 1 6 . 1 1 575 575 GLN H H 575 7.480 7.480 7.265 0.215 18462 4377 1 6 . 1 1 576 576 ASP N N 576 118.953 118.953 120.587 -1.634 18462 4378 1 6 . 1 1 576 576 ASP HA H 576 4.992 4.992 5.016 -0.024 18462 4379 1 6 . 1 1 576 576 ASP C C 576 173.387 173.387 176.226 -2.839 18462 4380 1 6 . 1 1 576 576 ASP CA C 576 50.094 50.094 50.050 0.044 18462 4381 1 6 . 1 1 576 576 ASP CB C 576 41.301 41.301 41.851 -0.550 18462 4382 1 6 . 1 1 576 576 ASP H H 576 8.173 8.173 8.699 -0.526 18462 4383 1 6 . 1 1 577 577 PRO HA H 577 4.629 4.629 4.513 0.116 18462 4384 1 6 . 1 1 577 577 PRO CA C 577 63.212 63.212 64.098 -0.886 18462 4385 1 6 . 1 1 577 577 PRO CB C 577 31.806 31.806 32.132 -0.326 18462 4386 1 6 . 1 1 578 578 SER N N 578 114.986 114.986 113.726 1.260 18462 4387 1 6 . 1 1 578 578 SER HA H 578 4.820 4.820 4.556 0.264 18462 4388 1 6 . 1 1 578 578 SER C C 578 176.301 176.301 175.175 1.126 18462 4389 1 6 . 1 1 578 578 SER CA C 578 58.054 58.054 58.561 -0.507 18462 4390 1 6 . 1 1 578 578 SER CB C 578 63.447 63.447 63.181 0.266 18462 4391 1 6 . 1 1 578 578 SER H H 578 8.387 8.387 8.391 -0.004 18462 4392 1 6 . 1 1 579 579 GLY N N 579 111.279 111.279 111.413 -0.134 18462 4393 1 6 . 1 1 579 579 GLY C C 579 175.262 175.262 174.148 1.114 18462 4394 1 6 . 1 1 579 579 GLY CA C 579 44.935 44.935 45.102 -0.168 18462 4395 1 6 . 1 1 579 579 GLY H H 579 8.554 8.554 7.548 1.006 18462 4396 1 6 . 1 1 580 580 ASP N N 580 121.402 121.402 119.311 2.091 18462 4397 1 6 . 1 1 580 580 ASP HA H 580 4.700 4.700 4.761 -0.061 18462 4398 1 6 . 1 1 580 580 ASP C C 580 174.329 174.329 176.199 -1.870 18462 4399 1 6 . 1 1 580 580 ASP CA C 580 53.845 53.845 53.775 0.070 18462 4400 1 6 . 1 1 580 580 ASP CB C 580 40.012 40.012 40.564 -0.552 18462 4401 1 6 . 1 1 580 580 ASP H H 580 8.386 8.386 8.556 -0.170 18462 4402 1 6 . 1 1 581 581 SER N N 581 115.668 115.668 115.203 0.465 18462 4403 1 6 . 1 1 581 581 SER HA H 581 4.421 4.421 4.544 -0.123 18462 4404 1 6 . 1 1 581 581 SER C C 581 176.108 176.108 173.750 2.358 18462 4405 1 6 . 1 1 581 581 SER CA C 581 58.054 58.054 58.357 -0.303 18462 4406 1 6 . 1 1 581 581 SER CB C 581 63.212 63.212 64.090 -0.878 18462 4407 1 6 . 1 1 581 581 SER H H 581 8.015 8.015 8.413 -0.398 18462 4408 1 6 . 1 1 582 582 LYS N N 582 120.544 120.544 120.008 0.536 18462 4409 1 6 . 1 1 582 582 LYS HA H 582 4.329 4.329 3.924 0.405 18462 4410 1 6 . 1 1 582 582 LYS C C 582 174.302 174.302 176.379 -2.077 18462 4411 1 6 . 1 1 582 582 LYS CA C 582 55.944 55.944 57.048 -1.104 18462 4412 1 6 . 1 1 582 582 LYS CB C 582 30.868 30.868 30.411 0.457 18462 4413 1 6 . 1 1 582 582 LYS H H 582 8.453 8.453 8.221 0.232 18462 4414 1 6 . 1 1 583 583 LEU N N 583 119.514 119.514 117.942 1.572 18462 4415 1 6 . 1 1 583 583 LEU HA H 583 4.458 4.458 4.357 0.101 18462 4416 1 6 . 1 1 583 583 LEU C C 583 176.924 176.924 175.687 1.237 18462 4417 1 6 . 1 1 583 583 LEU CA C 583 54.303 54.303 54.932 -0.629 18462 4418 1 6 . 1 1 583 583 LEU CB C 583 43.060 43.060 41.932 1.128 18462 4419 1 6 . 1 1 583 583 LEU H H 583 8.391 8.391 8.308 0.083 18462 4420 1 6 . 1 1 584 584 TYR N N 584 115.291 115.291 114.247 1.044 18462 4421 1 6 . 1 1 584 584 TYR HA H 584 5.714 5.714 5.550 0.164 18462 4422 1 6 . 1 1 584 584 TYR C C 584 175.675 175.675 173.701 1.974 18462 4423 1 6 . 1 1 584 584 TYR CA C 584 54.303 54.303 54.987 -0.684 18462 4424 1 6 . 1 1 584 584 TYR CB C 584 42.420 42.420 41.987 0.433 18462 4425 1 6 . 1 1 584 584 TYR H H 584 7.625 7.625 7.132 0.493 18462 4426 1 6 . 1 1 585 585 ARG N N 585 120.321 120.321 121.979 -1.658 18462 4427 1 6 . 1 1 585 585 ARG HA H 585 4.407 4.407 4.627 -0.220 18462 4428 1 6 . 1 1 585 585 ARG C C 585 172.342 172.342 173.937 -1.595 18462 4429 1 6 . 1 1 585 585 ARG CA C 585 53.376 53.376 54.483 -1.107 18462 4430 1 6 . 1 1 585 585 ARG CB C 585 33.916 33.916 34.605 -0.689 18462 4431 1 6 . 1 1 585 585 ARG H H 585 9.141 9.141 9.082 0.059 18462 4432 1 6 . 1 1 586 586 LEU N N 586 129.013 129.013 128.725 0.288 18462 4433 1 6 . 1 1 586 586 LEU HA H 586 4.768 4.768 4.804 -0.036 18462 4434 1 6 . 1 1 586 586 LEU C C 586 173.449 173.449 175.359 -1.910 18462 4435 1 6 . 1 1 586 586 LEU CA C 586 52.438 52.438 53.629 -1.191 18462 4436 1 6 . 1 1 586 586 LEU CB C 586 41.653 41.653 42.826 -1.173 18462 4437 1 6 . 1 1 586 586 LEU H H 586 8.581 8.581 8.679 -0.098 18462 4438 1 6 . 1 1 587 587 HIS N N 587 127.447 127.447 127.139 0.308 18462 4439 1 6 . 1 1 587 587 HIS HA H 587 4.650 4.650 4.923 -0.273 18462 4440 1 6 . 1 1 587 587 HIS C C 587 175.512 175.512 173.362 2.150 18462 4441 1 6 . 1 1 587 587 HIS CA C 587 55.544 55.544 55.230 0.313 18462 4442 1 6 . 1 1 587 587 HIS CB C 587 29.930 29.930 31.044 -1.113 18462 4443 1 6 . 1 1 587 587 HIS H H 587 9.132 9.132 8.660 0.472 18462 4444 1 6 . 1 1 588 588 PRO HA H 588 4.441 4.441 4.367 0.074 18462 4445 1 6 . 1 1 588 588 PRO CA C 588 62.509 62.509 63.047 -0.538 18462 4446 1 6 . 1 1 588 588 PRO CB C 588 31.688 31.688 32.592 -0.904 18462 4447 1 6 . 1 1 589 589 CYS N N 589 124.057 124.057 120.939 3.118 18462 4448 1 6 . 1 1 589 589 CYS HA H 589 4.275 4.275 4.382 -0.107 18462 4449 1 6 . 1 1 589 589 CYS C C 589 174.401 174.401 174.837 -0.436 18462 4450 1 6 . 1 1 589 589 CYS CA C 589 58.289 58.289 58.062 0.227 18462 4451 1 6 . 1 1 589 589 CYS CB C 589 26.413 26.413 28.852 -2.439 18462 4452 1 6 . 1 1 589 589 CYS H H 589 9.475 9.475 8.406 1.069 18462 4453 1 6 . 1 1 590 590 ARG N N 590 130.942 130.942 126.962 3.980 18462 4454 1 6 . 1 1 590 590 ARG HA H 590 4.689 4.689 4.556 0.133 18462 4455 1 6 . 1 1 590 590 ARG C C 590 175.091 175.091 176.981 -1.890 18462 4456 1 6 . 1 1 590 590 ARG CA C 590 55.241 55.241 56.404 -1.163 18462 4457 1 6 . 1 1 590 590 ARG CB C 590 30.633 30.633 30.949 -0.316 18462 4458 1 6 . 1 1 590 590 ARG H H 590 7.227 7.227 9.236 -2.009 18462 4459 1 6 . 1 1 591 591 SER N N 591 117.243 117.243 116.224 1.019 18462 4460 1 6 . 1 1 591 591 SER HA H 591 4.342 4.342 4.300 0.042 18462 4461 1 6 . 1 1 591 591 SER C C 591 178.367 178.367 174.265 4.102 18462 4462 1 6 . 1 1 591 591 SER CA C 591 59.695 59.695 61.610 -1.915 18462 4463 1 6 . 1 1 591 591 SER CB C 591 61.923 61.923 63.785 -1.862 18462 4464 1 6 . 1 1 591 591 SER H H 591 9.571 9.571 8.805 0.766 18462 4465 1 6 . 1 1 592 592 LEU N N 592 121.308 121.308 116.023 5.285 18462 4466 1 6 . 1 1 592 592 LEU HA H 592 4.778 4.778 4.685 0.093 18462 4467 1 6 . 1 1 592 592 LEU C C 592 173.260 173.260 175.178 -1.918 18462 4468 1 6 . 1 1 592 592 LEU CA C 592 52.846 52.846 52.963 -0.117 18462 4469 1 6 . 1 1 592 592 LEU CB C 592 45.404 45.404 43.660 1.744 18462 4470 1 6 . 1 1 592 592 LEU H H 592 7.369 7.369 7.270 0.099 18462 4471 1 6 . 1 1 593 593 GLN N N 593 122.109 122.109 120.141 1.968 18462 4472 1 6 . 1 1 593 593 GLN HA H 593 4.564 4.564 4.373 0.191 18462 4473 1 6 . 1 1 593 593 GLN C C 593 175.827 175.827 175.254 0.573 18462 4474 1 6 . 1 1 593 593 GLN CA C 593 54.303 54.303 55.955 -1.652 18462 4475 1 6 . 1 1 593 593 GLN CB C 593 26.882 26.882 28.277 -1.395 18462 4476 1 6 . 1 1 593 593 GLN H H 593 8.599 8.599 8.307 0.292 18462 4477 1 6 . 1 1 594 594 ILE N N 594 118.085 118.085 120.312 -2.227 18462 4478 1 6 . 1 1 594 594 ILE HA H 594 4.755 4.755 4.571 0.184 18462 4479 1 6 . 1 1 594 594 ILE C C 594 175.093 175.093 174.487 0.606 18462 4480 1 6 . 1 1 594 594 ILE CA C 594 58.831 58.831 58.904 -0.073 18462 4481 1 6 . 1 1 594 594 ILE CB C 594 42.591 42.591 41.297 1.294 18462 4482 1 6 . 1 1 594 594 ILE H H 594 7.635 7.635 8.077 -0.442 18462 4483 1 6 . 1 1 595 595 ARG N N 595 123.800 123.800 121.189 2.611 18462 4484 1 6 . 1 1 595 595 ARG HA H 595 4.038 4.038 4.263 -0.225 18462 4485 1 6 . 1 1 595 595 ARG C C 595 175.440 175.440 175.716 -0.276 18462 4486 1 6 . 1 1 595 595 ARG CA C 595 56.386 56.386 55.814 0.572 18462 4487 1 6 . 1 1 595 595 ARG CB C 595 30.516 30.516 30.495 0.021 18462 4488 1 6 . 1 1 595 595 ARG H H 595 9.075 9.075 8.189 0.886 18462 4489 1 6 . 1 1 596 596 GLN N N 596 124.290 124.290 122.743 1.547 18462 4490 1 6 . 1 1 596 596 GLN HA H 596 4.420 4.420 4.314 0.106 18462 4491 1 6 . 1 1 596 596 GLN C C 596 174.630 174.630 174.837 -0.207 18462 4492 1 6 . 1 1 596 596 GLN CA C 596 52.907 52.907 54.446 -1.539 18462 4493 1 6 . 1 1 596 596 GLN CB C 596 30.164 30.164 28.752 1.412 18462 4494 1 6 . 1 1 596 596 GLN H H 596 8.495 8.495 8.373 0.122 18462 4495 1 6 . 1 1 597 597 TYR N N 597 121.829 121.829 122.173 -0.344 18462 4496 1 6 . 1 1 597 597 TYR HA H 597 4.767 4.767 4.239 0.528 18462 4497 1 6 . 1 1 597 597 TYR C C 597 175.453 175.453 176.828 -1.375 18462 4498 1 6 . 1 1 597 597 TYR CA C 597 57.467 57.467 57.917 -0.450 18462 4499 1 6 . 1 1 597 597 TYR CB C 597 38.839 38.839 38.623 0.216 18462 4500 1 6 . 1 1 597 597 TYR H H 597 7.966 7.966 8.104 -0.138 18462 4501 1 6 . 1 1 598 598 ALA N N 598 129.272 129.272 124.164 5.108 18462 4502 1 6 . 1 1 598 598 ALA HA H 598 4.191 4.191 4.108 0.083 18462 4503 1 6 . 1 1 598 598 ALA C C 598 177.425 177.425 177.036 0.389 18462 4504 1 6 . 1 1 598 598 ALA CA C 598 54.040 54.040 54.174 -0.134 18462 4505 1 6 . 1 1 598 598 ALA CB C 598 17.749 17.749 18.486 -0.737 18462 4506 1 6 . 1 1 598 598 ALA H H 598 9.540 9.540 8.828 0.712 18462 4507 1 6 . 1 1 599 599 TYR N N 599 115.845 115.845 112.120 3.725 18462 4508 1 6 . 1 1 599 599 TYR HA H 599 4.560 4.560 4.477 0.083 18462 4509 1 6 . 1 1 599 599 TYR C C 599 173.276 173.276 176.738 -3.462 18462 4510 1 6 . 1 1 599 599 TYR CA C 599 58.172 58.172 58.934 -0.762 18462 4511 1 6 . 1 1 599 599 TYR CB C 599 36.432 36.432 37.847 -1.415 18462 4512 1 6 . 1 1 599 599 TYR H H 599 8.496 8.496 7.710 0.786 18462 4513 1 6 . 1 1 600 600 LEU N N 600 120.764 120.764 120.623 0.141 18462 4514 1 6 . 1 1 600 600 LEU HA H 600 4.260 4.260 4.397 -0.137 18462 4515 1 6 . 1 1 600 600 LEU C C 600 176.164 176.164 178.306 -2.142 18462 4516 1 6 . 1 1 600 600 LEU CA C 600 54.303 54.303 54.889 -0.586 18462 4517 1 6 . 1 1 600 600 LEU CB C 600 41.419 41.419 40.649 0.770 18462 4518 1 6 . 1 1 600 600 LEU H H 600 7.299 7.299 7.261 0.038 18462 4519 1 6 . 1 1 601 601 SER N N 601 114.419 114.419 113.347 1.072 18462 4520 1 6 . 1 1 601 601 SER HA H 601 4.418 4.418 4.362 0.056 18462 4521 1 6 . 1 1 601 601 SER C C 601 177.754 177.754 174.277 3.477 18462 4522 1 6 . 1 1 601 601 SER CA C 601 58.054 58.054 58.880 -0.827 18462 4523 1 6 . 1 1 601 601 SER CB C 601 63.212 63.212 63.384 -0.172 18462 4524 1 6 . 1 1 601 601 SER H H 601 7.896 7.896 7.491 0.405 18462 4525 1 6 . 1 1 602 602 ASP N N 602 122.293 122.293 122.111 0.182 18462 4526 1 6 . 1 1 602 602 ASP HA H 602 4.651 4.651 4.459 0.192 18462 4527 1 6 . 1 1 602 602 ASP C C 602 174.087 174.087 175.289 -1.202 18462 4528 1 6 . 1 1 602 602 ASP CA C 602 53.845 53.845 55.668 -1.823 18462 4529 1 6 . 1 1 602 602 ASP CB C 602 40.481 40.481 41.628 -1.147 18462 4530 1 6 . 1 1 602 602 ASP H H 602 8.257 8.257 7.702 0.555 18462 4531 1 6 . 1 1 603 603 ARG N N 603 121.398 121.398 123.456 -2.058 18462 4532 1 6 . 1 1 603 603 ARG HA H 603 4.454 4.454 4.648 -0.194 18462 4533 1 6 . 1 1 603 603 ARG C C 603 176.111 176.111 175.183 0.928 18462 4534 1 6 . 1 1 603 603 ARG CA C 603 55.241 55.241 55.453 -0.212 18462 4535 1 6 . 1 1 603 603 ARG CB C 603 30.164 30.164 31.727 -1.563 18462 4536 1 6 . 1 1 603 603 ARG H H 603 8.234 8.234 8.567 -0.333 18462 4537 1 7 . 1 1 473 473 ASN HA H 473 4.815 4.815 5.000 -0.185 18462 4538 1 7 . 1 1 473 473 ASN CA C 473 52.204 52.204 52.598 -0.394 18462 4539 1 7 . 1 1 473 473 ASN CB C 473 38.371 38.371 40.787 -2.416 18462 4540 1 7 . 1 1 474 474 LYS N N 474 122.150 122.150 121.100 1.050 18462 4541 1 7 . 1 1 474 474 LYS HA H 474 4.375 4.375 4.380 -0.005 18462 4542 1 7 . 1 1 474 474 LYS C C 474 174.965 174.965 176.717 -1.752 18462 4543 1 7 . 1 1 474 474 LYS CA C 474 55.944 55.944 56.360 -0.416 18462 4544 1 7 . 1 1 474 474 LYS CB C 474 32.405 32.405 33.061 -0.656 18462 4545 1 7 . 1 1 474 474 LYS H H 474 8.586 8.586 8.416 0.170 18462 4546 1 7 . 1 1 475 475 ARG N N 475 122.278 122.278 121.473 0.805 18462 4547 1 7 . 1 1 475 475 ARG HA H 475 4.374 4.374 4.629 -0.255 18462 4548 1 7 . 1 1 475 475 ARG C C 475 176.695 176.695 175.130 1.565 18462 4549 1 7 . 1 1 475 475 ARG CA C 475 55.944 55.944 55.806 0.138 18462 4550 1 7 . 1 1 475 475 ARG CB C 475 30.164 30.164 29.081 1.083 18462 4551 1 7 . 1 1 475 475 ARG H H 475 8.662 8.662 8.572 0.090 18462 4552 1 7 . 1 1 476 476 MET N N 476 122.046 122.046 122.576 -0.530 18462 4553 1 7 . 1 1 476 476 MET HA H 476 4.496 4.496 4.646 -0.150 18462 4554 1 7 . 1 1 476 476 MET C C 476 176.359 176.359 175.080 1.279 18462 4555 1 7 . 1 1 476 476 MET CA C 476 54.537 54.537 54.719 -0.182 18462 4556 1 7 . 1 1 476 476 MET CB C 476 32.509 32.509 34.955 -2.446 18462 4557 1 7 . 1 1 476 476 MET H H 476 8.490 8.490 8.087 0.403 18462 4558 1 7 . 1 1 477 477 LYS N N 477 123.768 123.768 125.612 -1.844 18462 4559 1 7 . 1 1 477 477 LYS HA H 477 4.384 4.384 4.525 -0.141 18462 4560 1 7 . 1 1 477 477 LYS C C 477 176.015 176.015 175.162 0.853 18462 4561 1 7 . 1 1 477 477 LYS CA C 477 55.834 55.834 55.904 -0.070 18462 4562 1 7 . 1 1 477 477 LYS CB C 477 32.107 32.107 31.359 0.748 18462 4563 1 7 . 1 1 477 477 LYS H H 477 8.472 8.472 8.412 0.060 18462 4564 1 7 . 1 1 478 478 VAL N N 478 122.460 122.460 118.433 4.027 18462 4565 1 7 . 1 1 478 478 VAL HA H 478 4.054 4.054 4.394 -0.340 18462 4566 1 7 . 1 1 478 478 VAL C C 478 176.320 176.320 174.837 1.483 18462 4567 1 7 . 1 1 478 478 VAL CA C 478 61.337 61.337 59.903 1.434 18462 4568 1 7 . 1 1 478 478 VAL CB C 478 32.275 32.275 35.096 -2.821 18462 4569 1 7 . 1 1 478 478 VAL H H 478 8.230 8.230 7.801 0.429 18462 4570 1 7 . 1 1 479 479 LYS N N 479 126.119 126.119 123.409 2.710 18462 4571 1 7 . 1 1 479 479 LYS HA H 479 4.365 4.365 4.221 0.144 18462 4572 1 7 . 1 1 479 479 LYS C C 479 175.605 175.605 175.810 -0.205 18462 4573 1 7 . 1 1 479 479 LYS CA C 479 55.006 55.006 56.073 -1.067 18462 4574 1 7 . 1 1 479 479 LYS CB C 479 32.098 32.098 31.531 0.567 18462 4575 1 7 . 1 1 479 479 LYS H H 479 8.453 8.453 8.334 0.119 18462 4576 1 7 . 1 1 480 480 HIS N N 480 121.065 121.065 123.259 -2.194 18462 4577 1 7 . 1 1 480 480 HIS HA H 480 4.713 4.713 4.470 0.243 18462 4578 1 7 . 1 1 480 480 HIS C C 480 175.937 175.937 175.660 0.277 18462 4579 1 7 . 1 1 480 480 HIS CA C 480 54.537 54.537 56.560 -2.023 18462 4580 1 7 . 1 1 480 480 HIS CB C 480 30.047 30.047 30.486 -0.439 18462 4581 1 7 . 1 1 480 480 HIS H H 480 8.559 8.559 8.066 0.493 18462 4582 1 7 . 1 1 481 481 ASP HA H 481 4.392 4.392 4.532 -0.140 18462 4583 1 7 . 1 1 481 481 ASP C C 481 174.413 174.413 176.049 -1.636 18462 4584 1 7 . 1 1 481 481 ASP CA C 481 52.907 52.907 53.555 -0.648 18462 4585 1 7 . 1 1 481 481 ASP CB C 481 39.543 39.543 40.421 -0.878 18462 4586 1 7 . 1 1 482 482 ASP N N 482 118.362 118.362 117.705 0.657 18462 4587 1 7 . 1 1 482 482 ASP HA H 482 4.710 4.710 4.471 0.239 18462 4588 1 7 . 1 1 482 482 ASP C C 482 175.104 175.104 175.140 -0.036 18462 4589 1 7 . 1 1 482 482 ASP CA C 482 53.376 53.376 53.709 -0.333 18462 4590 1 7 . 1 1 482 482 ASP CB C 482 39.308 39.308 39.433 -0.125 18462 4591 1 7 . 1 1 482 482 ASP H H 482 8.216 8.216 8.438 -0.222 18462 4592 1 7 . 1 1 483 483 HIS N N 483 113.578 113.578 112.785 0.793 18462 4593 1 7 . 1 1 483 483 HIS HA H 483 5.886 5.886 5.329 0.557 18462 4594 1 7 . 1 1 483 483 HIS C C 483 175.274 175.274 172.857 2.417 18462 4595 1 7 . 1 1 483 483 HIS CA C 483 55.241 55.241 55.240 0.001 18462 4596 1 7 . 1 1 483 483 HIS CB C 483 32.040 32.040 31.522 0.518 18462 4597 1 7 . 1 1 483 483 HIS H H 483 7.692 7.692 7.106 0.586 18462 4598 1 7 . 1 1 484 484 TYR N N 484 116.271 116.271 114.709 1.562 18462 4599 1 7 . 1 1 484 484 TYR HA H 484 5.003 5.003 4.976 0.027 18462 4600 1 7 . 1 1 484 484 TYR C C 484 180.038 180.038 173.767 6.271 18462 4601 1 7 . 1 1 484 484 TYR CA C 484 55.241 55.241 56.425 -1.184 18462 4602 1 7 . 1 1 484 484 TYR CB C 484 39.777 39.777 40.356 -0.579 18462 4603 1 7 . 1 1 484 484 TYR H H 484 8.493 8.493 8.768 -0.275 18462 4604 1 7 . 1 1 485 485 GLU N N 485 120.840 120.840 121.326 -0.486 18462 4605 1 7 . 1 1 485 485 GLU HA H 485 5.301 5.301 5.302 -0.001 18462 4606 1 7 . 1 1 485 485 GLU C C 485 174.101 174.101 175.756 -1.655 18462 4607 1 7 . 1 1 485 485 GLU CA C 485 54.772 54.772 55.409 -0.637 18462 4608 1 7 . 1 1 485 485 GLU CB C 485 31.337 31.337 31.748 -0.411 18462 4609 1 7 . 1 1 485 485 GLU H H 485 8.873 8.873 8.712 0.161 18462 4610 1 7 . 1 1 486 486 LEU N N 486 125.807 125.807 125.735 0.072 18462 4611 1 7 . 1 1 486 486 LEU HA H 486 4.762 4.762 4.780 -0.018 18462 4612 1 7 . 1 1 486 486 LEU C C 486 175.613 175.613 174.902 0.711 18462 4613 1 7 . 1 1 486 486 LEU CA C 486 53.645 53.645 54.613 -0.968 18462 4614 1 7 . 1 1 486 486 LEU CB C 486 45.873 45.873 45.123 0.750 18462 4615 1 7 . 1 1 486 486 LEU H H 486 8.957 8.957 8.918 0.039 18462 4616 1 7 . 1 1 487 487 ILE N N 487 125.332 125.332 127.770 -2.438 18462 4617 1 7 . 1 1 487 487 ILE HA H 487 5.007 5.007 4.403 0.604 18462 4618 1 7 . 1 1 487 487 ILE C C 487 174.543 174.543 175.629 -1.086 18462 4619 1 7 . 1 1 487 487 ILE CA C 487 59.695 59.695 61.653 -1.958 18462 4620 1 7 . 1 1 487 487 ILE CB C 487 37.433 37.433 38.142 -0.709 18462 4621 1 7 . 1 1 487 487 ILE H H 487 8.549 8.549 8.436 0.113 18462 4622 1 7 . 1 1 488 488 VAL N N 488 129.307 129.307 128.140 1.167 18462 4623 1 7 . 1 1 488 488 VAL HA H 488 4.304 4.304 4.091 0.212 18462 4624 1 7 . 1 1 488 488 VAL C C 488 176.678 176.678 174.999 1.679 18462 4625 1 7 . 1 1 488 488 VAL CA C 488 60.868 60.868 60.764 0.104 18462 4626 1 7 . 1 1 488 488 VAL CB C 488 33.681 33.681 34.510 -0.829 18462 4627 1 7 . 1 1 488 488 VAL H H 488 9.456 9.456 8.722 0.734 18462 4628 1 7 . 1 1 489 489 ASP N N 489 128.884 128.884 127.424 1.460 18462 4629 1 7 . 1 1 489 489 ASP HA H 489 4.301 4.301 4.284 0.017 18462 4630 1 7 . 1 1 489 489 ASP C C 489 176.084 176.084 176.799 -0.715 18462 4631 1 7 . 1 1 489 489 ASP CA C 489 54.537 54.537 54.735 -0.198 18462 4632 1 7 . 1 1 489 489 ASP CB C 489 39.074 39.074 40.097 -1.023 18462 4633 1 7 . 1 1 489 489 ASP H H 489 9.144 9.144 9.034 0.110 18462 4634 1 7 . 1 1 490 490 GLY N N 490 102.410 102.410 104.988 -2.578 18462 4635 1 7 . 1 1 490 490 GLY C C 490 175.998 175.998 174.353 1.645 18462 4636 1 7 . 1 1 490 490 GLY CA C 490 44.818 44.818 45.094 -0.277 18462 4637 1 7 . 1 1 490 490 GLY H H 490 8.210 8.210 8.210 -0.000 18462 4638 1 7 . 1 1 491 491 ARG N N 491 122.605 122.605 122.108 0.497 18462 4639 1 7 . 1 1 491 491 ARG HA H 491 4.597 4.597 4.460 0.137 18462 4640 1 7 . 1 1 491 491 ARG C C 491 173.256 173.256 175.128 -1.872 18462 4641 1 7 . 1 1 491 491 ARG CA C 491 53.610 53.610 55.294 -1.684 18462 4642 1 7 . 1 1 491 491 ARG CB C 491 32.040 32.040 31.558 0.482 18462 4643 1 7 . 1 1 491 491 ARG H H 491 7.938 7.938 7.724 0.214 18462 4644 1 7 . 1 1 492 492 VAL N N 492 123.769 123.769 124.276 -0.507 18462 4645 1 7 . 1 1 492 492 VAL HA H 492 4.128 4.128 3.814 0.314 18462 4646 1 7 . 1 1 492 492 VAL C C 492 173.470 173.470 175.051 -1.581 18462 4647 1 7 . 1 1 492 492 VAL CA C 492 62.210 62.210 62.670 -0.460 18462 4648 1 7 . 1 1 492 492 VAL CB C 492 32.040 32.040 31.674 0.366 18462 4649 1 7 . 1 1 492 492 VAL H H 492 8.157 8.157 8.412 -0.255 18462 4650 1 7 . 1 1 493 493 TYR N N 493 124.842 124.842 126.159 -1.317 18462 4651 1 7 . 1 1 493 493 TYR HA H 493 4.632 4.632 4.566 0.066 18462 4652 1 7 . 1 1 493 493 TYR C C 493 174.288 174.288 175.372 -1.084 18462 4653 1 7 . 1 1 493 493 TYR CA C 493 56.308 56.308 53.847 2.461 18462 4654 1 7 . 1 1 493 493 TYR CB C 493 40.481 40.481 40.256 0.225 18462 4655 1 7 . 1 1 493 493 TYR H H 493 8.981 8.981 8.517 0.464 18462 4656 1 7 . 1 1 494 494 TYR N N 494 120.511 120.511 118.075 2.436 18462 4657 1 7 . 1 1 494 494 TYR HA H 494 4.763 4.763 5.275 -0.512 18462 4658 1 7 . 1 1 494 494 TYR C C 494 173.811 173.811 175.329 -1.518 18462 4659 1 7 . 1 1 494 494 TYR CA C 494 56.764 56.764 56.546 0.218 18462 4660 1 7 . 1 1 494 494 TYR CB C 494 38.722 38.722 40.346 -1.624 18462 4661 1 7 . 1 1 494 494 TYR H H 494 9.235 9.235 9.146 0.089 18462 4662 1 7 . 1 1 495 495 ILE N N 495 124.930 124.930 122.343 2.587 18462 4663 1 7 . 1 1 495 495 ILE HA H 495 4.780 4.780 4.873 -0.093 18462 4664 1 7 . 1 1 495 495 ILE C C 495 174.764 174.764 175.396 -0.632 18462 4665 1 7 . 1 1 495 495 ILE CA C 495 57.714 57.714 59.112 -1.398 18462 4666 1 7 . 1 1 495 495 ILE CB C 495 36.729 36.729 40.799 -4.070 18462 4667 1 7 . 1 1 495 495 ILE H H 495 9.136 9.136 9.200 -0.064 18462 4668 1 7 . 1 1 496 496 CYS N N 496 127.535 127.535 127.509 0.026 18462 4669 1 7 . 1 1 496 496 CYS HA H 496 4.745 4.745 4.765 -0.020 18462 4670 1 7 . 1 1 496 496 CYS C C 496 176.128 176.128 176.961 -0.833 18462 4671 1 7 . 1 1 496 496 CYS CA C 496 60.574 60.574 58.928 1.646 18462 4672 1 7 . 1 1 496 496 CYS CB C 496 29.227 29.227 28.097 1.130 18462 4673 1 7 . 1 1 496 496 CYS H H 496 9.016 9.016 8.656 0.360 18462 4674 1 7 . 1 1 497 497 ILE N N 497 129.645 129.645 126.527 3.118 18462 4675 1 7 . 1 1 497 497 ILE HA H 497 4.176 4.176 4.142 0.034 18462 4676 1 7 . 1 1 497 497 ILE C C 497 177.925 177.925 176.760 1.165 18462 4677 1 7 . 1 1 497 497 ILE CA C 497 63.447 63.447 64.602 -1.155 18462 4678 1 7 . 1 1 497 497 ILE CB C 497 39.543 39.543 37.757 1.786 18462 4679 1 7 . 1 1 497 497 ILE H H 497 8.295 8.295 8.342 -0.047 18462 4680 1 7 . 1 1 498 498 VAL N N 498 123.791 123.791 122.007 1.784 18462 4681 1 7 . 1 1 498 498 VAL HA H 498 3.939 3.939 3.762 0.177 18462 4682 1 7 . 1 1 498 498 VAL C C 498 176.127 176.127 177.411 -1.284 18462 4683 1 7 . 1 1 498 498 VAL CA C 498 64.619 64.619 65.636 -1.017 18462 4684 1 7 . 1 1 498 498 VAL CB C 498 32.275 32.275 31.616 0.660 18462 4685 1 7 . 1 1 498 498 VAL H H 498 8.993 8.993 8.274 0.719 18462 4686 1 7 . 1 1 499 499 CYS N N 499 117.267 117.267 112.214 5.053 18462 4687 1 7 . 1 1 499 499 CYS HA H 499 5.157 5.157 4.872 0.285 18462 4688 1 7 . 1 1 499 499 CYS C C 499 177.106 177.106 174.912 2.194 18462 4689 1 7 . 1 1 499 499 CYS CA C 499 57.820 57.820 57.719 0.101 18462 4690 1 7 . 1 1 499 499 CYS CB C 499 31.571 31.571 29.308 2.263 18462 4691 1 7 . 1 1 499 499 CYS H H 499 8.307 8.307 7.974 0.333 18462 4692 1 7 . 1 1 500 500 LYS N N 500 117.950 117.950 119.078 -1.128 18462 4693 1 7 . 1 1 500 500 LYS HA H 500 4.306 4.306 4.076 0.230 18462 4694 1 7 . 1 1 500 500 LYS C C 500 175.869 175.869 175.448 0.421 18462 4695 1 7 . 1 1 500 500 LYS CA C 500 57.585 57.585 57.239 0.346 18462 4696 1 7 . 1 1 500 500 LYS CB C 500 28.289 28.289 29.677 -1.388 18462 4697 1 7 . 1 1 500 500 LYS H H 500 8.169 8.169 8.233 -0.064 18462 4698 1 7 . 1 1 501 501 ARG N N 501 121.270 121.270 119.585 1.685 18462 4699 1 7 . 1 1 501 501 ARG HA H 501 4.090 4.090 4.257 -0.167 18462 4700 1 7 . 1 1 501 501 ARG C C 501 175.587 175.587 175.721 -0.134 18462 4701 1 7 . 1 1 501 501 ARG CA C 501 58.289 58.289 55.823 2.466 18462 4702 1 7 . 1 1 501 501 ARG CB C 501 29.694 29.694 31.417 -1.723 18462 4703 1 7 . 1 1 501 501 ARG H H 501 8.071 8.071 7.816 0.255 18462 4704 1 7 . 1 1 502 502 SER N N 502 112.997 112.997 117.621 -4.624 18462 4705 1 7 . 1 1 502 502 SER HA H 502 5.003 5.003 4.843 0.160 18462 4706 1 7 . 1 1 502 502 SER C C 502 174.417 174.417 173.206 1.211 18462 4707 1 7 . 1 1 502 502 SER CA C 502 55.475 55.475 57.183 -1.708 18462 4708 1 7 . 1 1 502 502 SER CB C 502 65.088 65.088 64.575 0.513 18462 4709 1 7 . 1 1 502 502 SER H H 502 7.553 7.553 8.269 -0.716 18462 4710 1 7 . 1 1 503 503 TYR N N 503 121.115 121.115 121.839 -0.724 18462 4711 1 7 . 1 1 503 503 TYR HA H 503 4.996 4.996 4.587 0.409 18462 4712 1 7 . 1 1 503 503 TYR C C 503 173.707 173.707 175.717 -2.010 18462 4713 1 7 . 1 1 503 503 TYR CA C 503 57.585 57.585 57.582 0.003 18462 4714 1 7 . 1 1 503 503 TYR CB C 503 42.244 42.244 41.843 0.401 18462 4715 1 7 . 1 1 503 503 TYR H H 503 8.958 8.958 8.739 0.219 18462 4716 1 7 . 1 1 504 504 VAL N N 504 119.390 119.390 120.838 -1.448 18462 4717 1 7 . 1 1 504 504 VAL HA H 504 4.376 4.376 3.894 0.482 18462 4718 1 7 . 1 1 504 504 VAL C C 504 176.390 176.390 175.581 0.809 18462 4719 1 7 . 1 1 504 504 VAL CA C 504 62.275 62.275 63.767 -1.492 18462 4720 1 7 . 1 1 504 504 VAL CB C 504 33.025 33.025 32.146 0.879 18462 4721 1 7 . 1 1 504 504 VAL H H 504 9.988 9.988 8.607 1.381 18462 4722 1 7 . 1 1 505 505 CYS N N 505 113.800 113.800 115.880 -2.080 18462 4723 1 7 . 1 1 505 505 CYS HA H 505 4.998 4.998 4.806 0.192 18462 4724 1 7 . 1 1 505 505 CYS C C 505 176.603 176.603 175.183 1.420 18462 4725 1 7 . 1 1 505 505 CYS CA C 505 56.647 56.647 57.678 -1.030 18462 4726 1 7 . 1 1 505 505 CYS CB C 505 38.406 38.406 31.428 6.978 18462 4727 1 7 . 1 1 505 505 CYS H H 505 7.518 7.518 7.815 -0.297 18462 4728 1 7 . 1 1 506 506 LEU N N 506 129.535 129.535 124.339 5.196 18462 4729 1 7 . 1 1 506 506 LEU HA H 506 3.325 3.325 3.551 -0.226 18462 4730 1 7 . 1 1 506 506 LEU C C 506 174.727 174.727 177.719 -2.992 18462 4731 1 7 . 1 1 506 506 LEU CA C 506 56.647 56.647 58.177 -1.530 18462 4732 1 7 . 1 1 506 506 LEU CB C 506 39.308 39.308 41.167 -1.859 18462 4733 1 7 . 1 1 506 506 LEU H H 506 8.602 8.602 8.739 -0.137 18462 4734 1 7 . 1 1 507 507 THR N N 507 108.833 108.833 110.162 -1.329 18462 4735 1 7 . 1 1 507 507 THR HA H 507 3.820 3.820 3.880 -0.060 18462 4736 1 7 . 1 1 507 507 THR C C 507 178.905 178.905 176.571 2.334 18462 4737 1 7 . 1 1 507 507 THR CA C 507 64.150 64.150 66.147 -1.998 18462 4738 1 7 . 1 1 507 507 THR CB C 507 66.260 66.260 67.921 -1.661 18462 4739 1 7 . 1 1 507 507 THR H H 507 8.087 8.087 8.175 -0.088 18462 4740 1 7 . 1 1 508 508 SER N N 508 119.009 119.009 118.929 0.080 18462 4741 1 7 . 1 1 508 508 SER HA H 508 4.123 4.123 4.010 0.113 18462 4742 1 7 . 1 1 508 508 SER C C 508 178.467 178.467 175.933 2.534 18462 4743 1 7 . 1 1 508 508 SER CA C 508 59.461 59.461 61.251 -1.790 18462 4744 1 7 . 1 1 508 508 SER CB C 508 62.978 62.978 62.808 0.170 18462 4745 1 7 . 1 1 508 508 SER H H 508 7.230 7.230 7.429 -0.199 18462 4746 1 7 . 1 1 509 509 LEU N N 509 127.365 127.365 123.597 3.768 18462 4747 1 7 . 1 1 509 509 LEU HA H 509 3.216 3.216 3.574 -0.358 18462 4748 1 7 . 1 1 509 509 LEU C C 509 176.740 176.740 177.554 -0.814 18462 4749 1 7 . 1 1 509 509 LEU CA C 509 57.351 57.351 57.894 -0.543 18462 4750 1 7 . 1 1 509 509 LEU CB C 509 39.074 39.074 41.730 -2.656 18462 4751 1 7 . 1 1 509 509 LEU H H 509 7.114 7.114 7.397 -0.283 18462 4752 1 7 . 1 1 510 510 ARG N N 510 119.955 119.955 118.240 1.715 18462 4753 1 7 . 1 1 510 510 ARG HA H 510 3.843 3.843 3.898 -0.055 18462 4754 1 7 . 1 1 510 510 ARG C C 510 178.472 178.472 178.866 -0.394 18462 4755 1 7 . 1 1 510 510 ARG CA C 510 61.766 61.766 57.767 3.999 18462 4756 1 7 . 1 1 510 510 ARG CB C 510 28.992 28.992 28.829 0.163 18462 4757 1 7 . 1 1 510 510 ARG H H 510 8.100 8.100 8.467 -0.367 18462 4758 1 7 . 1 1 511 511 ARG N N 511 120.947 120.947 118.958 1.989 18462 4759 1 7 . 1 1 511 511 ARG HA H 511 4.078 4.078 3.858 0.220 18462 4760 1 7 . 1 1 511 511 ARG C C 511 178.262 178.262 177.700 0.562 18462 4761 1 7 . 1 1 511 511 ARG CA C 511 59.054 59.054 59.118 -0.064 18462 4762 1 7 . 1 1 511 511 ARG CB C 511 29.695 29.695 29.929 -0.234 18462 4763 1 7 . 1 1 511 511 ARG H H 511 7.802 7.802 7.891 -0.089 18462 4764 1 7 . 1 1 512 512 HIS N N 512 116.820 116.820 117.835 -1.015 18462 4765 1 7 . 1 1 512 512 HIS HA H 512 4.219 4.219 4.212 0.007 18462 4766 1 7 . 1 1 512 512 HIS C C 512 178.069 178.069 177.332 0.737 18462 4767 1 7 . 1 1 512 512 HIS CA C 512 57.507 57.507 58.622 -1.115 18462 4768 1 7 . 1 1 512 512 HIS CB C 512 27.390 27.390 29.938 -2.548 18462 4769 1 7 . 1 1 512 512 HIS H H 512 7.809 7.809 7.783 0.026 18462 4770 1 7 . 1 1 513 513 PHE N N 513 118.415 118.415 120.501 -2.086 18462 4771 1 7 . 1 1 513 513 PHE HA H 513 3.620 3.620 3.947 -0.327 18462 4772 1 7 . 1 1 513 513 PHE C C 513 176.026 176.026 176.588 -0.562 18462 4773 1 7 . 1 1 513 513 PHE CA C 513 61.102 61.102 61.333 -0.231 18462 4774 1 7 . 1 1 513 513 PHE CB C 513 38.996 38.996 38.949 0.047 18462 4775 1 7 . 1 1 513 513 PHE H H 513 8.898 8.898 8.751 0.147 18462 4776 1 7 . 1 1 514 514 ASN N N 514 114.080 114.080 118.877 -4.797 18462 4777 1 7 . 1 1 514 514 ASN HA H 514 4.988 4.988 4.333 0.655 18462 4778 1 7 . 1 1 514 514 ASN C C 514 176.236 176.236 177.228 -0.992 18462 4779 1 7 . 1 1 514 514 ASN CA C 514 55.006 55.006 55.762 -0.756 18462 4780 1 7 . 1 1 514 514 ASN CB C 514 40.129 40.129 38.491 1.638 18462 4781 1 7 . 1 1 514 514 ASN H H 514 8.678 8.678 7.678 1.000 18462 4782 1 7 . 1 1 515 515 ILE N N 515 114.035 114.035 118.170 -4.135 18462 4783 1 7 . 1 1 515 515 ILE HA H 515 2.997 2.997 3.163 -0.166 18462 4784 1 7 . 1 1 515 515 ILE C C 515 176.292 176.292 175.861 0.431 18462 4785 1 7 . 1 1 515 515 ILE CA C 515 63.447 63.447 63.459 -0.012 18462 4786 1 7 . 1 1 515 515 ILE CB C 515 37.198 37.198 37.519 -0.321 18462 4787 1 7 . 1 1 515 515 ILE H H 515 7.919 7.919 7.821 0.098 18462 4788 1 7 . 1 1 516 516 HIS N N 516 113.136 113.136 117.483 -4.347 18462 4789 1 7 . 1 1 516 516 HIS HA H 516 4.767 4.767 4.562 0.205 18462 4790 1 7 . 1 1 516 516 HIS C C 516 175.870 175.870 177.115 -1.245 18462 4791 1 7 . 1 1 516 516 HIS CA C 516 54.542 54.542 58.228 -3.686 18462 4792 1 7 . 1 1 516 516 HIS CB C 516 27.585 27.585 30.173 -2.588 18462 4793 1 7 . 1 1 516 516 HIS H H 516 7.170 7.170 7.486 -0.316 18462 4794 1 7 . 1 1 517 517 SER N N 517 112.852 112.852 114.126 -1.274 18462 4795 1 7 . 1 1 517 517 SER HA H 517 4.359 4.359 4.341 0.018 18462 4796 1 7 . 1 1 517 517 SER C C 517 177.067 177.067 175.376 1.691 18462 4797 1 7 . 1 1 517 517 SER CA C 517 58.758 58.758 59.370 -0.612 18462 4798 1 7 . 1 1 517 517 SER CB C 517 63.447 63.447 64.329 -0.882 18462 4799 1 7 . 1 1 517 517 SER H H 517 7.886 7.886 7.825 0.061 18462 4800 1 7 . 1 1 518 518 TRP N N 518 122.824 122.824 120.444 2.380 18462 4801 1 7 . 1 1 518 518 TRP HA H 518 4.005 4.005 4.420 -0.415 18462 4802 1 7 . 1 1 518 518 TRP C C 518 175.133 175.133 176.457 -1.324 18462 4803 1 7 . 1 1 518 518 TRP CA C 518 57.820 57.820 58.693 -0.873 18462 4804 1 7 . 1 1 518 518 TRP CB C 518 25.710 25.710 26.536 -0.826 18462 4805 1 7 . 1 1 518 518 TRP H H 518 9.274 9.274 7.662 1.612 18462 4806 1 7 . 1 1 519 519 GLU N N 519 119.673 119.673 114.911 4.762 18462 4807 1 7 . 1 1 519 519 GLU HA H 519 4.042 4.042 4.113 -0.071 18462 4808 1 7 . 1 1 519 519 GLU C C 519 175.353 175.353 176.543 -1.190 18462 4809 1 7 . 1 1 519 519 GLU CA C 519 58.758 58.758 58.061 0.697 18462 4810 1 7 . 1 1 519 519 GLU CB C 519 29.695 29.695 30.072 -0.377 18462 4811 1 7 . 1 1 519 519 GLU H H 519 7.828 7.828 7.930 -0.102 18462 4812 1 7 . 1 1 520 520 LYS N N 520 118.358 118.358 119.335 -0.977 18462 4813 1 7 . 1 1 520 520 LYS HA H 520 4.544 4.544 4.388 0.156 18462 4814 1 7 . 1 1 520 520 LYS C C 520 178.036 178.036 174.514 3.522 18462 4815 1 7 . 1 1 520 520 LYS CA C 520 53.845 53.845 54.840 -0.995 18462 4816 1 7 . 1 1 520 520 LYS CB C 520 34.385 34.385 34.377 0.008 18462 4817 1 7 . 1 1 520 520 LYS H H 520 9.085 9.085 7.964 1.121 18462 4818 1 7 . 1 1 521 521 LYS N N 521 118.859 118.859 122.806 -3.947 18462 4819 1 7 . 1 1 521 521 LYS HA H 521 4.658 4.658 4.500 0.158 18462 4820 1 7 . 1 1 521 521 LYS C C 521 175.168 175.168 176.035 -0.867 18462 4821 1 7 . 1 1 521 521 LYS CA C 521 54.537 54.537 55.750 -1.213 18462 4822 1 7 . 1 1 521 521 LYS CB C 521 35.323 35.323 33.810 1.513 18462 4823 1 7 . 1 1 521 521 LYS H H 521 8.238 8.238 8.242 -0.004 18462 4824 1 7 . 1 1 522 522 TYR N N 522 117.305 117.305 121.451 -4.146 18462 4825 1 7 . 1 1 522 522 TYR HA H 522 5.028 5.028 4.887 0.141 18462 4826 1 7 . 1 1 522 522 TYR C C 522 175.016 175.016 174.051 0.965 18462 4827 1 7 . 1 1 522 522 TYR CA C 522 54.537 54.537 55.046 -0.509 18462 4828 1 7 . 1 1 522 522 TYR CB C 522 37.198 37.198 38.468 -1.270 18462 4829 1 7 . 1 1 522 522 TYR H H 522 7.788 7.788 8.680 -0.892 18462 4830 1 7 . 1 1 523 523 PRO HA H 523 5.026 5.026 4.891 0.135 18462 4831 1 7 . 1 1 523 523 PRO CA C 523 61.806 61.806 62.466 -0.660 18462 4832 1 7 . 1 1 523 523 PRO CB C 523 31.839 31.839 32.002 -0.163 18462 4833 1 7 . 1 1 524 524 CYS N N 524 126.569 126.569 124.679 1.890 18462 4834 1 7 . 1 1 524 524 CYS HA H 524 4.739 4.739 4.542 0.197 18462 4835 1 7 . 1 1 524 524 CYS C C 524 176.841 176.841 176.282 0.559 18462 4836 1 7 . 1 1 524 524 CYS CA C 524 60.290 60.290 58.680 1.610 18462 4837 1 7 . 1 1 524 524 CYS CB C 524 29.344 29.344 29.370 -0.026 18462 4838 1 7 . 1 1 524 524 CYS H H 524 9.210 9.210 8.786 0.424 18462 4839 1 7 . 1 1 525 525 ARG N N 525 130.294 130.294 125.553 4.741 18462 4840 1 7 . 1 1 525 525 ARG HA H 525 4.285 4.285 4.063 0.222 18462 4841 1 7 . 1 1 525 525 ARG C C 525 176.390 176.390 177.151 -0.761 18462 4842 1 7 . 1 1 525 525 ARG CA C 525 58.043 58.043 58.282 -0.239 18462 4843 1 7 . 1 1 525 525 ARG CB C 525 27.576 27.576 30.310 -2.734 18462 4844 1 7 . 1 1 525 525 ARG H H 525 9.724 9.724 9.262 0.462 18462 4845 1 7 . 1 1 526 526 TYR N N 526 122.622 122.622 117.014 5.608 18462 4846 1 7 . 1 1 526 526 TYR HA H 526 4.517 4.517 4.405 0.112 18462 4847 1 7 . 1 1 526 526 TYR C C 526 176.659 176.659 175.580 1.079 18462 4848 1 7 . 1 1 526 526 TYR CA C 526 58.054 58.054 58.026 0.028 18462 4849 1 7 . 1 1 526 526 TYR CB C 526 37.628 37.628 38.155 -0.527 18462 4850 1 7 . 1 1 526 526 TYR H H 526 10.439 10.439 7.866 2.573 18462 4851 1 7 . 1 1 527 527 CYS N N 527 122.873 122.873 115.634 7.239 18462 4852 1 7 . 1 1 527 527 CYS HA H 527 5.153 5.153 4.932 0.221 18462 4853 1 7 . 1 1 527 527 CYS C C 527 175.243 175.243 174.487 0.756 18462 4854 1 7 . 1 1 527 527 CYS CA C 527 58.148 58.148 56.103 2.045 18462 4855 1 7 . 1 1 527 527 CYS CB C 527 30.164 30.164 31.309 -1.145 18462 4856 1 7 . 1 1 527 527 CYS H H 527 8.462 8.462 7.520 0.942 18462 4857 1 7 . 1 1 528 528 GLU N N 528 115.906 115.906 118.624 -2.718 18462 4858 1 7 . 1 1 528 528 GLU HA H 528 4.453 4.453 4.125 0.328 18462 4859 1 7 . 1 1 528 528 GLU C C 528 173.484 173.484 176.426 -2.942 18462 4860 1 7 . 1 1 528 528 GLU CA C 528 57.390 57.390 56.645 0.745 18462 4861 1 7 . 1 1 528 528 GLU CB C 528 29.608 29.608 28.924 0.684 18462 4862 1 7 . 1 1 528 528 GLU H H 528 8.704 8.704 8.544 0.160 18462 4863 1 7 . 1 1 529 529 LYS N N 529 125.068 125.068 121.966 3.102 18462 4864 1 7 . 1 1 529 529 LYS HA H 529 4.041 4.041 4.114 -0.073 18462 4865 1 7 . 1 1 529 529 LYS C C 529 176.881 176.881 174.932 1.949 18462 4866 1 7 . 1 1 529 529 LYS CA C 529 57.585 57.585 56.619 0.966 18462 4867 1 7 . 1 1 529 529 LYS CB C 529 33.212 33.212 33.120 0.092 18462 4868 1 7 . 1 1 529 529 LYS H H 529 8.696 8.696 7.405 1.291 18462 4869 1 7 . 1 1 530 530 VAL N N 530 119.525 119.525 124.033 -4.508 18462 4870 1 7 . 1 1 530 530 VAL HA H 530 4.541 4.541 4.456 0.085 18462 4871 1 7 . 1 1 530 530 VAL C C 530 175.118 175.118 175.645 -0.527 18462 4872 1 7 . 1 1 530 530 VAL CA C 530 60.633 60.633 60.550 0.083 18462 4873 1 7 . 1 1 530 530 VAL CB C 530 34.150 34.150 33.930 0.220 18462 4874 1 7 . 1 1 530 530 VAL H H 530 8.054 8.054 8.139 -0.085 18462 4875 1 7 . 1 1 531 531 PHE N N 531 122.568 122.568 126.204 -3.636 18462 4876 1 7 . 1 1 531 531 PHE C C 531 174.185 174.185 174.483 -0.298 18462 4877 1 7 . 1 1 531 531 PHE CA C 531 55.586 55.586 55.202 0.384 18462 4878 1 7 . 1 1 531 531 PHE CB C 531 41.184 41.184 40.454 0.730 18462 4879 1 7 . 1 1 531 531 PHE H H 531 8.167 8.167 8.614 -0.447 18462 4880 1 7 . 1 1 532 532 PRO HA H 532 4.359 4.359 4.154 0.205 18462 4881 1 7 . 1 1 532 532 PRO CA C 532 62.216 62.216 62.843 -0.627 18462 4882 1 7 . 1 1 532 532 PRO CB C 532 29.930 29.930 31.848 -1.918 18462 4883 1 7 . 1 1 533 533 LEU N N 533 122.335 122.335 118.113 4.222 18462 4884 1 7 . 1 1 533 533 LEU HA H 533 4.086 4.086 4.160 -0.074 18462 4885 1 7 . 1 1 533 533 LEU C C 533 175.091 175.091 176.503 -1.412 18462 4886 1 7 . 1 1 533 533 LEU CA C 533 55.006 55.006 53.111 1.895 18462 4887 1 7 . 1 1 533 533 LEU CB C 533 43.529 43.529 44.464 -0.935 18462 4888 1 7 . 1 1 533 533 LEU H H 533 6.587 6.587 7.399 -0.812 18462 4889 1 7 . 1 1 534 534 ALA N N 534 126.722 126.722 124.993 1.729 18462 4890 1 7 . 1 1 534 534 ALA HA H 534 2.993 2.993 3.304 -0.311 18462 4891 1 7 . 1 1 534 534 ALA C C 534 175.439 175.439 178.845 -3.406 18462 4892 1 7 . 1 1 534 534 ALA CA C 534 54.537 54.537 54.410 0.127 18462 4893 1 7 . 1 1 534 534 ALA CB C 534 18.452 18.452 17.293 1.159 18462 4894 1 7 . 1 1 534 534 ALA H H 534 7.698 7.698 7.998 -0.300 18462 4895 1 7 . 1 1 535 535 GLU N N 535 119.354 119.354 118.432 0.922 18462 4896 1 7 . 1 1 535 535 GLU HA H 535 4.675 4.675 3.963 0.712 18462 4897 1 7 . 1 1 535 535 GLU C C 535 180.126 180.126 177.928 2.198 18462 4898 1 7 . 1 1 535 535 GLU CA C 535 58.526 58.526 58.926 -0.400 18462 4899 1 7 . 1 1 535 535 GLU H H 535 9.535 9.535 8.776 0.759 18462 4900 1 7 . 1 1 536 536 TYR N N 536 114.592 114.592 119.321 -4.729 18462 4901 1 7 . 1 1 536 536 TYR HA H 536 4.368 4.368 4.060 0.308 18462 4902 1 7 . 1 1 536 536 TYR C C 536 178.004 178.004 177.652 0.352 18462 4903 1 7 . 1 1 536 536 TYR CA C 536 56.179 56.179 58.290 -2.111 18462 4904 1 7 . 1 1 536 536 TYR CB C 536 35.556 35.556 36.668 -1.112 18462 4905 1 7 . 1 1 536 536 TYR H H 536 6.552 6.552 8.069 -1.517 18462 4906 1 7 . 1 1 537 537 ARG N N 537 119.820 119.820 119.423 0.397 18462 4907 1 7 . 1 1 537 537 ARG HA H 537 3.209 3.209 3.749 -0.540 18462 4908 1 7 . 1 1 537 537 ARG C C 537 179.469 179.469 178.170 1.299 18462 4909 1 7 . 1 1 537 537 ARG CA C 537 59.131 59.131 59.983 -0.852 18462 4910 1 7 . 1 1 537 537 ARG CB C 537 27.179 27.179 29.765 -2.587 18462 4911 1 7 . 1 1 537 537 ARG H H 537 7.016 7.016 7.226 -0.210 18462 4912 1 7 . 1 1 538 538 THR N N 538 120.080 120.080 117.043 3.037 18462 4913 1 7 . 1 1 538 538 THR HA H 538 3.939 3.939 4.083 -0.144 18462 4914 1 7 . 1 1 538 538 THR C C 538 177.538 177.538 176.854 0.684 18462 4915 1 7 . 1 1 538 538 THR CA C 538 66.026 66.026 66.970 -0.944 18462 4916 1 7 . 1 1 538 538 THR CB C 538 66.964 66.964 68.404 -1.440 18462 4917 1 7 . 1 1 538 538 THR H H 538 8.410 8.410 8.015 0.395 18462 4918 1 7 . 1 1 539 539 LYS N N 539 117.252 117.252 119.880 -2.628 18462 4919 1 7 . 1 1 539 539 LYS HA H 539 4.054 4.054 4.085 -0.031 18462 4920 1 7 . 1 1 539 539 LYS C C 539 176.139 176.139 178.985 -2.846 18462 4921 1 7 . 1 1 539 539 LYS CA C 539 57.116 57.116 58.559 -1.443 18462 4922 1 7 . 1 1 539 539 LYS CB C 539 31.859 31.859 31.747 0.112 18462 4923 1 7 . 1 1 539 539 LYS H H 539 8.012 8.012 8.136 -0.124 18462 4924 1 7 . 1 1 540 540 HIS N N 540 118.983 118.983 120.277 -1.294 18462 4925 1 7 . 1 1 540 540 HIS HA H 540 4.548 4.548 4.402 0.146 18462 4926 1 7 . 1 1 540 540 HIS C C 540 179.568 179.568 177.694 1.874 18462 4927 1 7 . 1 1 540 540 HIS CA C 540 58.758 58.758 59.770 -1.012 18462 4928 1 7 . 1 1 540 540 HIS CB C 540 28.260 28.260 30.189 -1.929 18462 4929 1 7 . 1 1 540 540 HIS H H 540 7.536 7.536 8.128 -0.592 18462 4930 1 7 . 1 1 541 541 GLU N N 541 122.073 122.073 119.911 2.162 18462 4931 1 7 . 1 1 541 541 GLU HA H 541 4.215 4.215 4.464 -0.249 18462 4932 1 7 . 1 1 541 541 GLU C C 541 177.829 177.829 178.998 -1.169 18462 4933 1 7 . 1 1 541 541 GLU CA C 541 61.181 61.181 59.313 1.868 18462 4934 1 7 . 1 1 541 541 GLU CB C 541 29.712 29.712 29.812 -0.100 18462 4935 1 7 . 1 1 541 541 GLU H H 541 9.540 9.540 8.603 0.937 18462 4936 1 7 . 1 1 542 542 ILE N N 542 121.307 121.307 119.979 1.328 18462 4937 1 7 . 1 1 542 542 ILE HA H 542 4.335 4.335 3.823 0.512 18462 4938 1 7 . 1 1 542 542 ILE C C 542 179.666 179.666 177.653 2.013 18462 4939 1 7 . 1 1 542 542 ILE CA C 542 61.806 61.806 65.442 -3.636 18462 4940 1 7 . 1 1 542 542 ILE CB C 542 36.729 36.729 38.197 -1.468 18462 4941 1 7 . 1 1 542 542 ILE H H 542 8.275 8.275 8.518 -0.243 18462 4942 1 7 . 1 1 543 543 HIS N N 543 118.514 118.514 118.199 0.315 18462 4943 1 7 . 1 1 543 543 HIS HA H 543 4.257 4.257 4.295 -0.038 18462 4944 1 7 . 1 1 543 543 HIS C C 543 178.283 178.283 177.263 1.020 18462 4945 1 7 . 1 1 543 543 HIS CA C 543 58.758 58.758 58.344 0.414 18462 4946 1 7 . 1 1 543 543 HIS CB C 543 26.882 26.882 30.076 -3.194 18462 4947 1 7 . 1 1 543 543 HIS H H 543 7.744 7.744 7.678 0.066 18462 4948 1 7 . 1 1 544 544 HIS N N 544 115.805 115.805 117.249 -1.444 18462 4949 1 7 . 1 1 544 544 HIS HA H 544 4.317 4.317 4.363 -0.046 18462 4950 1 7 . 1 1 544 544 HIS C C 544 178.058 178.058 177.027 1.031 18462 4951 1 7 . 1 1 544 544 HIS CA C 544 58.054 58.054 58.717 -0.663 18462 4952 1 7 . 1 1 544 544 HIS CB C 544 36.882 36.882 30.302 6.580 18462 4953 1 7 . 1 1 544 544 HIS H H 544 7.537 7.537 7.876 -0.339 18462 4954 1 7 . 1 1 545 545 THR N N 545 109.469 109.469 107.895 1.574 18462 4955 1 7 . 1 1 545 545 THR HA H 545 4.184 4.184 4.188 -0.004 18462 4956 1 7 . 1 1 545 545 THR C C 545 177.277 177.277 175.996 1.281 18462 4957 1 7 . 1 1 545 545 THR CA C 545 62.509 62.509 62.543 -0.034 18462 4958 1 7 . 1 1 545 545 THR CB C 545 68.839 68.839 69.866 -1.027 18462 4959 1 7 . 1 1 545 545 THR H H 545 7.991 7.991 8.024 -0.033 18462 4960 1 7 . 1 1 546 546 GLY N N 546 113.407 113.407 110.842 2.565 18462 4961 1 7 . 1 1 546 546 GLY C C 546 177.501 177.501 174.075 3.426 18462 4962 1 7 . 1 1 546 546 GLY CA C 546 44.935 44.935 45.541 -0.606 18462 4963 1 7 . 1 1 546 546 GLY H H 546 8.530 8.530 7.897 0.633 18462 4964 1 7 . 1 1 547 547 GLU N N 547 123.901 123.901 120.135 3.766 18462 4965 1 7 . 1 1 547 547 GLU HA H 547 3.913 3.913 4.079 -0.166 18462 4966 1 7 . 1 1 547 547 GLU C C 547 173.687 173.687 176.312 -2.625 18462 4967 1 7 . 1 1 547 547 GLU CA C 547 56.413 56.413 56.528 -0.115 18462 4968 1 7 . 1 1 547 547 GLU CB C 547 29.123 29.123 30.201 -1.078 18462 4969 1 7 . 1 1 547 547 GLU H H 547 7.301 7.301 7.652 -0.351 18462 4970 1 7 . 1 1 548 548 ARG N N 548 128.505 128.505 126.122 2.383 18462 4971 1 7 . 1 1 548 548 ARG HA H 548 4.444 4.444 4.331 0.113 18462 4972 1 7 . 1 1 548 548 ARG C C 548 175.180 175.180 176.091 -0.911 18462 4973 1 7 . 1 1 548 548 ARG CA C 548 55.059 55.059 56.192 -1.133 18462 4974 1 7 . 1 1 548 548 ARG CB C 548 29.227 29.227 30.040 -0.812 18462 4975 1 7 . 1 1 548 548 ARG H H 548 8.752 8.752 8.500 0.252 18462 4976 1 7 . 1 1 549 549 ARG N N 549 121.815 121.815 120.686 1.129 18462 4977 1 7 . 1 1 549 549 ARG HA H 549 4.205 4.205 4.511 -0.306 18462 4978 1 7 . 1 1 549 549 ARG C C 549 175.850 175.850 175.306 0.544 18462 4979 1 7 . 1 1 549 549 ARG CA C 549 57.350 57.350 56.560 0.789 18462 4980 1 7 . 1 1 549 549 ARG CB C 549 32.980 32.980 33.618 -0.638 18462 4981 1 7 . 1 1 549 549 ARG H H 549 9.440 9.440 8.801 0.639 18462 4982 1 7 . 1 1 550 550 TYR N N 550 116.087 116.087 120.286 -4.199 18462 4983 1 7 . 1 1 550 550 TYR C C 550 176.129 176.129 175.114 1.015 18462 4984 1 7 . 1 1 550 550 TYR CA C 550 58.169 58.169 57.355 0.814 18462 4985 1 7 . 1 1 550 550 TYR CB C 550 38.994 38.994 37.713 1.281 18462 4986 1 7 . 1 1 550 550 TYR H H 550 8.287 8.287 7.742 0.545 18462 4987 1 7 . 1 1 551 551 GLN N N 551 125.096 125.096 125.902 -0.806 18462 4988 1 7 . 1 1 551 551 GLN HA H 551 5.275 5.275 4.802 0.473 18462 4989 1 7 . 1 1 551 551 GLN C C 551 175.080 175.080 175.164 -0.084 18462 4990 1 7 . 1 1 551 551 GLN CA C 551 53.610 53.610 54.419 -0.809 18462 4991 1 7 . 1 1 551 551 GLN CB C 551 31.152 31.152 29.738 1.414 18462 4992 1 7 . 1 1 551 551 GLN H H 551 9.656 9.656 9.440 0.216 18462 4993 1 7 . 1 1 552 552 CYS N N 552 128.697 128.697 127.352 1.345 18462 4994 1 7 . 1 1 552 552 CYS HA H 552 4.584 4.584 4.818 -0.234 18462 4995 1 7 . 1 1 552 552 CYS C C 552 175.231 175.231 175.254 -0.023 18462 4996 1 7 . 1 1 552 552 CYS CA C 552 59.461 59.461 59.944 -0.484 18462 4997 1 7 . 1 1 552 552 CYS CB C 552 29.695 29.695 28.252 1.443 18462 4998 1 7 . 1 1 552 552 CYS H H 552 9.427 9.427 9.159 0.268 18462 4999 1 7 . 1 1 553 553 LEU N N 553 130.168 130.168 125.813 4.355 18462 5000 1 7 . 1 1 553 553 LEU HA H 553 4.396 4.396 4.532 -0.136 18462 5001 1 7 . 1 1 553 553 LEU C C 553 177.402 177.402 178.054 -0.652 18462 5002 1 7 . 1 1 553 553 LEU CA C 553 55.710 55.710 56.165 -0.455 18462 5003 1 7 . 1 1 553 553 LEU CB C 553 40.246 40.246 42.276 -2.030 18462 5004 1 7 . 1 1 553 553 LEU H H 553 8.632 8.632 8.710 -0.078 18462 5005 1 7 . 1 1 554 554 ALA N N 554 125.048 125.048 123.320 1.728 18462 5006 1 7 . 1 1 554 554 ALA HA H 554 4.295 4.295 4.112 0.183 18462 5007 1 7 . 1 1 554 554 ALA C C 554 177.657 177.657 178.207 -0.550 18462 5008 1 7 . 1 1 554 554 ALA CA C 554 53.610 53.610 54.315 -0.705 18462 5009 1 7 . 1 1 554 554 ALA CB C 554 16.577 16.577 18.801 -2.224 18462 5010 1 7 . 1 1 554 554 ALA H H 554 8.847 8.847 8.274 0.573 18462 5011 1 7 . 1 1 555 555 CYS N N 555 113.388 113.388 112.782 0.606 18462 5012 1 7 . 1 1 555 555 CYS HA H 555 5.299 5.299 5.008 0.291 18462 5013 1 7 . 1 1 555 555 CYS C C 555 178.854 178.854 175.830 3.024 18462 5014 1 7 . 1 1 555 555 CYS CA C 555 57.820 57.820 57.395 0.425 18462 5015 1 7 . 1 1 555 555 CYS CB C 555 31.665 31.665 29.394 2.271 18462 5016 1 7 . 1 1 555 555 CYS H H 555 8.146 8.146 7.830 0.316 18462 5017 1 7 . 1 1 556 556 GLY N N 556 114.264 114.264 110.408 3.856 18462 5018 1 7 . 1 1 556 556 GLY C C 556 176.084 176.084 174.540 1.544 18462 5019 1 7 . 1 1 556 556 GLY CA C 556 45.639 45.639 45.542 0.097 18462 5020 1 7 . 1 1 556 556 GLY H H 556 8.104 8.104 8.577 -0.473 18462 5021 1 7 . 1 1 557 557 LYS N N 557 123.318 123.318 121.449 1.869 18462 5022 1 7 . 1 1 557 557 LYS HA H 557 4.110 4.110 4.174 -0.064 18462 5023 1 7 . 1 1 557 557 LYS C C 557 174.300 174.300 175.652 -1.352 18462 5024 1 7 . 1 1 557 557 LYS CA C 557 57.585 57.585 56.319 1.266 18462 5025 1 7 . 1 1 557 557 LYS CB C 557 33.447 33.447 33.109 0.338 18462 5026 1 7 . 1 1 557 557 LYS H H 557 8.043 8.043 7.560 0.483 18462 5027 1 7 . 1 1 558 558 SER N N 558 115.947 115.947 116.794 -0.847 18462 5028 1 7 . 1 1 558 558 SER HA H 558 5.661 5.661 5.000 0.661 18462 5029 1 7 . 1 1 558 558 SER C C 558 174.321 174.321 173.414 0.907 18462 5030 1 7 . 1 1 558 558 SER CA C 558 56.179 56.179 57.586 -1.407 18462 5031 1 7 . 1 1 558 558 SER CB C 558 65.088 65.088 64.473 0.615 18462 5032 1 7 . 1 1 558 558 SER H H 558 7.864 7.864 8.196 -0.332 18462 5033 1 7 . 1 1 559 559 PHE N N 559 117.815 117.815 122.228 -4.413 18462 5034 1 7 . 1 1 559 559 PHE HA H 559 4.781 4.781 4.856 -0.075 18462 5035 1 7 . 1 1 559 559 PHE C C 559 173.632 173.632 175.995 -2.363 18462 5036 1 7 . 1 1 559 559 PHE CA C 559 56.687 56.687 57.136 -0.449 18462 5037 1 7 . 1 1 559 559 PHE CB C 559 44.232 44.232 42.629 1.603 18462 5038 1 7 . 1 1 559 559 PHE H H 559 9.488 9.488 9.011 0.477 18462 5039 1 7 . 1 1 560 560 ILE N N 560 118.092 118.092 120.695 -2.603 18462 5040 1 7 . 1 1 560 560 ILE HA H 560 4.470 4.470 4.156 0.314 18462 5041 1 7 . 1 1 560 560 ILE C C 560 175.986 175.986 174.534 1.452 18462 5042 1 7 . 1 1 560 560 ILE CA C 560 62.040 62.040 62.596 -0.556 18462 5043 1 7 . 1 1 560 560 ILE CB C 560 39.308 39.308 38.667 0.641 18462 5044 1 7 . 1 1 560 560 ILE H H 560 9.306 9.306 8.750 0.556 18462 5045 1 7 . 1 1 561 561 ASN N N 561 114.751 114.751 112.914 1.837 18462 5046 1 7 . 1 1 561 561 ASN HA H 561 4.683 4.683 5.112 -0.429 18462 5047 1 7 . 1 1 561 561 ASN C C 561 175.350 175.350 174.872 0.478 18462 5048 1 7 . 1 1 561 561 ASN CA C 561 50.797 50.797 51.674 -0.877 18462 5049 1 7 . 1 1 561 561 ASN CB C 561 39.777 39.777 40.409 -0.632 18462 5050 1 7 . 1 1 561 561 ASN H H 561 7.387 7.387 7.761 -0.374 18462 5051 1 7 . 1 1 562 562 TYR N N 562 118.833 118.833 121.415 -2.582 18462 5052 1 7 . 1 1 562 562 TYR C C 562 172.730 172.730 176.745 -4.015 18462 5053 1 7 . 1 1 562 562 TYR CA C 562 59.907 59.907 62.285 -2.378 18462 5054 1 7 . 1 1 562 562 TYR CB C 562 38.480 38.480 38.393 0.087 18462 5055 1 7 . 1 1 562 562 TYR H H 562 8.243 8.243 9.137 -0.894 18462 5056 1 7 . 1 1 563 563 GLN N N 563 119.525 119.525 118.477 1.048 18462 5057 1 7 . 1 1 563 563 GLN HA H 563 3.720 3.720 3.973 -0.253 18462 5058 1 7 . 1 1 563 563 GLN C C 563 176.326 176.326 178.273 -1.947 18462 5059 1 7 . 1 1 563 563 GLN CA C 563 61.102 61.102 59.598 1.504 18462 5060 1 7 . 1 1 563 563 GLN CB C 563 25.450 25.450 27.681 -2.231 18462 5061 1 7 . 1 1 563 563 GLN H H 563 8.524 8.524 8.478 0.046 18462 5062 1 7 . 1 1 564 564 PHE N N 564 118.625 118.625 120.238 -1.613 18462 5063 1 7 . 1 1 564 564 PHE HA H 564 4.427 4.427 4.198 0.229 18462 5064 1 7 . 1 1 564 564 PHE C C 564 179.429 179.429 177.634 1.795 18462 5065 1 7 . 1 1 564 564 PHE CA C 564 59.461 59.461 61.158 -1.697 18462 5066 1 7 . 1 1 564 564 PHE CB C 564 38.488 38.488 38.754 -0.266 18462 5067 1 7 . 1 1 564 564 PHE H H 564 8.904 8.904 9.125 -0.221 18462 5068 1 7 . 1 1 565 565 MET N N 565 120.996 120.996 120.157 0.839 18462 5069 1 7 . 1 1 565 565 MET HA H 565 3.720 3.720 2.848 0.872 18462 5070 1 7 . 1 1 565 565 MET C C 565 178.642 178.642 177.616 1.026 18462 5071 1 7 . 1 1 565 565 MET CA C 565 58.037 58.037 59.137 -1.100 18462 5072 1 7 . 1 1 565 565 MET H H 565 7.153 7.153 8.029 -0.876 18462 5073 1 7 . 1 1 566 566 SER N N 566 115.706 115.706 114.372 1.334 18462 5074 1 7 . 1 1 566 566 SER HA H 566 3.720 3.720 3.766 -0.046 18462 5075 1 7 . 1 1 566 566 SER C C 566 176.710 176.710 176.341 0.369 18462 5076 1 7 . 1 1 566 566 SER CA C 566 60.633 60.633 61.263 -0.630 18462 5077 1 7 . 1 1 566 566 SER CB C 566 62.040 62.040 62.646 -0.606 18462 5078 1 7 . 1 1 566 566 SER H H 566 8.918 8.918 8.142 0.776 18462 5079 1 7 . 1 1 567 567 SER N N 567 114.335 114.335 117.248 -2.913 18462 5080 1 7 . 1 1 567 567 SER HA H 567 4.212 4.212 4.022 0.190 18462 5081 1 7 . 1 1 567 567 SER C C 567 176.849 176.849 176.710 0.139 18462 5082 1 7 . 1 1 567 567 SER CA C 567 60.868 60.868 61.399 -0.531 18462 5083 1 7 . 1 1 567 567 SER CB C 567 61.806 61.806 63.119 -1.313 18462 5084 1 7 . 1 1 567 567 SER H H 567 7.933 7.933 7.750 0.183 18462 5085 1 7 . 1 1 568 568 HIS N N 568 120.659 120.659 122.618 -1.959 18462 5086 1 7 . 1 1 568 568 HIS HA H 568 4.327 4.327 4.305 0.022 18462 5087 1 7 . 1 1 568 568 HIS C C 568 177.652 177.652 177.485 0.167 18462 5088 1 7 . 1 1 568 568 HIS CA C 568 58.992 58.992 59.252 -0.260 18462 5089 1 7 . 1 1 568 568 HIS CB C 568 27.234 27.234 29.291 -2.057 18462 5090 1 7 . 1 1 568 568 HIS H H 568 7.594 7.594 8.265 -0.671 18462 5091 1 7 . 1 1 569 569 ILE N N 569 120.858 120.858 119.580 1.278 18462 5092 1 7 . 1 1 569 569 ILE HA H 569 3.562 3.562 3.486 0.076 18462 5093 1 7 . 1 1 569 569 ILE C C 569 175.925 175.925 178.338 -2.413 18462 5094 1 7 . 1 1 569 569 ILE CA C 569 66.729 66.729 65.167 1.562 18462 5095 1 7 . 1 1 569 569 ILE CB C 569 37.198 37.198 37.734 -0.536 18462 5096 1 7 . 1 1 569 569 ILE H H 569 8.640 8.640 8.097 0.543 18462 5097 1 7 . 1 1 570 570 LYS N N 570 118.876 118.876 119.868 -0.992 18462 5098 1 7 . 1 1 570 570 LYS HA H 570 4.329 4.329 4.226 0.103 18462 5099 1 7 . 1 1 570 570 LYS C C 570 178.927 178.927 179.191 -0.264 18462 5100 1 7 . 1 1 570 570 LYS CA C 570 59.461 59.461 59.443 0.018 18462 5101 1 7 . 1 1 570 570 LYS CB C 570 32.743 32.743 32.676 0.067 18462 5102 1 7 . 1 1 570 570 LYS H H 570 8.463 8.463 8.199 0.264 18462 5103 1 7 . 1 1 571 571 SER N N 571 112.612 112.612 114.714 -2.102 18462 5104 1 7 . 1 1 571 571 SER HA H 571 4.323 4.323 4.267 0.056 18462 5105 1 7 . 1 1 571 571 SER C C 571 179.258 179.258 176.007 3.251 18462 5106 1 7 . 1 1 571 571 SER CA C 571 59.930 59.930 61.337 -1.407 18462 5107 1 7 . 1 1 571 571 SER CB C 571 62.978 62.978 63.424 -0.446 18462 5108 1 7 . 1 1 571 571 SER H H 571 7.997 7.997 8.038 -0.041 18462 5109 1 7 . 1 1 572 572 VAL N N 572 120.208 120.208 121.560 -1.352 18462 5110 1 7 . 1 1 572 572 VAL HA H 572 3.789 3.789 3.802 -0.013 18462 5111 1 7 . 1 1 572 572 VAL C C 572 176.245 176.245 177.102 -0.857 18462 5112 1 7 . 1 1 572 572 VAL CA C 572 63.916 63.916 64.374 -0.458 18462 5113 1 7 . 1 1 572 572 VAL CB C 572 31.337 31.337 31.967 -0.630 18462 5114 1 7 . 1 1 572 572 VAL H H 572 8.615 8.615 7.976 0.639 18462 5115 1 7 . 1 1 573 573 HIS N N 573 113.735 113.735 115.769 -2.034 18462 5116 1 7 . 1 1 573 573 HIS HA H 573 5.102 5.102 4.752 0.350 18462 5117 1 7 . 1 1 573 573 HIS C C 573 177.042 177.042 175.174 1.868 18462 5118 1 7 . 1 1 573 573 HIS CA C 573 53.376 53.376 55.518 -2.142 18462 5119 1 7 . 1 1 573 573 HIS CB C 573 28.210 28.210 30.500 -2.289 18462 5120 1 7 . 1 1 573 573 HIS H H 573 7.067 7.067 7.440 -0.373 18462 5121 1 7 . 1 1 574 574 SER N N 574 112.537 112.537 113.292 -0.755 18462 5122 1 7 . 1 1 574 574 SER HA H 574 4.421 4.421 4.281 0.140 18462 5123 1 7 . 1 1 574 574 SER C C 574 174.525 174.525 173.734 0.791 18462 5124 1 7 . 1 1 574 574 SER CA C 574 58.054 58.054 59.355 -1.301 18462 5125 1 7 . 1 1 574 574 SER CB C 574 61.102 61.102 61.572 -0.470 18462 5126 1 7 . 1 1 574 574 SER H H 574 7.325 7.325 8.026 -0.701 18462 5127 1 7 . 1 1 575 575 GLN N N 575 117.032 117.032 117.902 -0.870 18462 5128 1 7 . 1 1 575 575 GLN HA H 575 4.659 4.659 4.545 0.114 18462 5129 1 7 . 1 1 575 575 GLN C C 575 173.993 173.993 173.644 0.349 18462 5130 1 7 . 1 1 575 575 GLN CA C 575 53.376 53.376 54.229 -0.853 18462 5131 1 7 . 1 1 575 575 GLN CB C 575 32.743 32.743 32.802 -0.059 18462 5132 1 7 . 1 1 575 575 GLN H H 575 7.480 7.480 7.268 0.212 18462 5133 1 7 . 1 1 576 576 ASP N N 576 118.953 118.953 121.602 -2.649 18462 5134 1 7 . 1 1 576 576 ASP HA H 576 4.992 4.992 4.943 0.049 18462 5135 1 7 . 1 1 576 576 ASP C C 576 173.387 173.387 176.105 -2.718 18462 5136 1 7 . 1 1 576 576 ASP CA C 576 50.094 50.094 50.076 0.018 18462 5137 1 7 . 1 1 576 576 ASP CB C 576 41.301 41.301 42.087 -0.786 18462 5138 1 7 . 1 1 576 576 ASP H H 576 8.173 8.173 8.530 -0.357 18462 5139 1 7 . 1 1 577 577 PRO HA H 577 4.629 4.629 4.686 -0.057 18462 5140 1 7 . 1 1 577 577 PRO CA C 577 63.212 63.212 63.785 -0.573 18462 5141 1 7 . 1 1 577 577 PRO CB C 577 31.806 31.806 32.636 -0.830 18462 5142 1 7 . 1 1 578 578 SER N N 578 114.986 114.986 113.306 1.680 18462 5143 1 7 . 1 1 578 578 SER HA H 578 4.820 4.820 4.438 0.382 18462 5144 1 7 . 1 1 578 578 SER C C 578 176.301 176.301 175.683 0.618 18462 5145 1 7 . 1 1 578 578 SER CA C 578 58.054 58.054 59.021 -0.967 18462 5146 1 7 . 1 1 578 578 SER CB C 578 63.447 63.447 63.380 0.067 18462 5147 1 7 . 1 1 578 578 SER H H 578 8.387 8.387 8.365 0.022 18462 5148 1 7 . 1 1 579 579 GLY N N 579 111.279 111.279 110.640 0.639 18462 5149 1 7 . 1 1 579 579 GLY C C 579 175.262 175.262 174.142 1.120 18462 5150 1 7 . 1 1 579 579 GLY CA C 579 44.935 44.935 45.012 -0.077 18462 5151 1 7 . 1 1 579 579 GLY H H 579 8.554 8.554 7.439 1.115 18462 5152 1 7 . 1 1 580 580 ASP N N 580 121.402 121.402 120.289 1.113 18462 5153 1 7 . 1 1 580 580 ASP HA H 580 4.700 4.700 4.811 -0.111 18462 5154 1 7 . 1 1 580 580 ASP C C 580 174.329 174.329 176.785 -2.456 18462 5155 1 7 . 1 1 580 580 ASP CA C 580 53.845 53.845 53.634 0.211 18462 5156 1 7 . 1 1 580 580 ASP CB C 580 40.012 40.012 40.650 -0.638 18462 5157 1 7 . 1 1 580 580 ASP H H 580 8.386 8.386 8.438 -0.052 18462 5158 1 7 . 1 1 581 581 SER N N 581 115.668 115.668 115.930 -0.262 18462 5159 1 7 . 1 1 581 581 SER HA H 581 4.421 4.421 4.377 0.044 18462 5160 1 7 . 1 1 581 581 SER C C 581 176.108 176.108 175.011 1.097 18462 5161 1 7 . 1 1 581 581 SER CA C 581 58.054 58.054 58.944 -0.890 18462 5162 1 7 . 1 1 581 581 SER CB C 581 63.212 63.212 64.004 -0.792 18462 5163 1 7 . 1 1 581 581 SER H H 581 8.015 8.015 8.139 -0.124 18462 5164 1 7 . 1 1 582 582 LYS N N 582 120.544 120.544 120.270 0.274 18462 5165 1 7 . 1 1 582 582 LYS HA H 582 4.329 4.329 3.922 0.407 18462 5166 1 7 . 1 1 582 582 LYS C C 582 174.302 174.302 175.280 -0.978 18462 5167 1 7 . 1 1 582 582 LYS CA C 582 55.944 55.944 56.877 -0.933 18462 5168 1 7 . 1 1 582 582 LYS CB C 582 30.868 30.868 30.191 0.677 18462 5169 1 7 . 1 1 582 582 LYS H H 582 8.453 8.453 8.375 0.078 18462 5170 1 7 . 1 1 583 583 LEU N N 583 119.514 119.514 118.842 0.672 18462 5171 1 7 . 1 1 583 583 LEU HA H 583 4.458 4.458 4.470 -0.012 18462 5172 1 7 . 1 1 583 583 LEU C C 583 176.924 176.924 174.972 1.952 18462 5173 1 7 . 1 1 583 583 LEU CA C 583 54.303 54.303 54.135 0.168 18462 5174 1 7 . 1 1 583 583 LEU CB C 583 43.060 43.060 42.506 0.554 18462 5175 1 7 . 1 1 583 583 LEU H H 583 8.391 8.391 8.467 -0.076 18462 5176 1 7 . 1 1 584 584 TYR N N 584 115.291 115.291 114.404 0.887 18462 5177 1 7 . 1 1 584 584 TYR HA H 584 5.714 5.714 5.604 0.110 18462 5178 1 7 . 1 1 584 584 TYR C C 584 175.675 175.675 173.686 1.989 18462 5179 1 7 . 1 1 584 584 TYR CA C 584 54.303 54.303 54.978 -0.675 18462 5180 1 7 . 1 1 584 584 TYR CB C 584 42.420 42.420 41.786 0.634 18462 5181 1 7 . 1 1 584 584 TYR H H 584 7.625 7.625 7.150 0.475 18462 5182 1 7 . 1 1 585 585 ARG N N 585 120.321 120.321 121.095 -0.774 18462 5183 1 7 . 1 1 585 585 ARG HA H 585 4.407 4.407 4.827 -0.420 18462 5184 1 7 . 1 1 585 585 ARG C C 585 172.342 172.342 174.382 -2.040 18462 5185 1 7 . 1 1 585 585 ARG CA C 585 53.376 53.376 54.442 -1.066 18462 5186 1 7 . 1 1 585 585 ARG CB C 585 33.916 33.916 34.802 -0.886 18462 5187 1 7 . 1 1 585 585 ARG H H 585 9.141 9.141 9.075 0.066 18462 5188 1 7 . 1 1 586 586 LEU N N 586 129.013 129.013 127.386 1.627 18462 5189 1 7 . 1 1 586 586 LEU HA H 586 4.768 4.768 4.825 -0.057 18462 5190 1 7 . 1 1 586 586 LEU C C 586 173.449 173.449 175.582 -2.133 18462 5191 1 7 . 1 1 586 586 LEU CA C 586 52.438 52.438 54.377 -1.939 18462 5192 1 7 . 1 1 586 586 LEU CB C 586 41.653 41.653 43.303 -1.650 18462 5193 1 7 . 1 1 586 586 LEU H H 586 8.581 8.581 8.787 -0.206 18462 5194 1 7 . 1 1 587 587 HIS N N 587 127.447 127.447 125.566 1.881 18462 5195 1 7 . 1 1 587 587 HIS HA H 587 4.650 4.650 5.045 -0.395 18462 5196 1 7 . 1 1 587 587 HIS C C 587 175.512 175.512 173.526 1.986 18462 5197 1 7 . 1 1 587 587 HIS CA C 587 55.544 55.544 53.935 1.609 18462 5198 1 7 . 1 1 587 587 HIS CB C 587 29.930 29.930 31.464 -1.534 18462 5199 1 7 . 1 1 587 587 HIS H H 587 9.132 9.132 8.647 0.485 18462 5200 1 7 . 1 1 588 588 PRO HA H 588 4.441 4.441 4.567 -0.126 18462 5201 1 7 . 1 1 588 588 PRO CA C 588 62.509 62.509 62.990 -0.481 18462 5202 1 7 . 1 1 588 588 PRO CB C 588 31.688 31.688 32.464 -0.776 18462 5203 1 7 . 1 1 589 589 CYS N N 589 124.057 124.057 121.556 2.501 18462 5204 1 7 . 1 1 589 589 CYS HA H 589 4.275 4.275 4.552 -0.277 18462 5205 1 7 . 1 1 589 589 CYS C C 589 174.401 174.401 175.000 -0.599 18462 5206 1 7 . 1 1 589 589 CYS CA C 589 58.289 58.289 57.461 0.828 18462 5207 1 7 . 1 1 589 589 CYS CB C 589 26.413 26.413 29.443 -3.030 18462 5208 1 7 . 1 1 589 589 CYS H H 589 9.475 9.475 8.732 0.743 18462 5209 1 7 . 1 1 590 590 ARG N N 590 130.942 130.942 127.657 3.285 18462 5210 1 7 . 1 1 590 590 ARG HA H 590 4.689 4.689 4.582 0.107 18462 5211 1 7 . 1 1 590 590 ARG C C 590 175.091 175.091 177.142 -2.051 18462 5212 1 7 . 1 1 590 590 ARG CA C 590 55.241 55.241 55.966 -0.725 18462 5213 1 7 . 1 1 590 590 ARG CB C 590 30.633 30.633 31.110 -0.477 18462 5214 1 7 . 1 1 590 590 ARG H H 590 7.227 7.227 9.666 -2.439 18462 5215 1 7 . 1 1 591 591 SER N N 591 117.243 117.243 116.504 0.739 18462 5216 1 7 . 1 1 591 591 SER HA H 591 4.342 4.342 4.289 0.053 18462 5217 1 7 . 1 1 591 591 SER C C 591 178.367 178.367 174.653 3.714 18462 5218 1 7 . 1 1 591 591 SER CA C 591 59.695 59.695 61.162 -1.467 18462 5219 1 7 . 1 1 591 591 SER CB C 591 61.923 61.923 63.767 -1.844 18462 5220 1 7 . 1 1 591 591 SER H H 591 9.571 9.571 8.788 0.783 18462 5221 1 7 . 1 1 592 592 LEU N N 592 121.308 121.308 116.715 4.593 18462 5222 1 7 . 1 1 592 592 LEU HA H 592 4.778 4.778 4.755 0.023 18462 5223 1 7 . 1 1 592 592 LEU C C 592 173.260 173.260 175.621 -2.361 18462 5224 1 7 . 1 1 592 592 LEU CA C 592 52.846 52.846 53.606 -0.760 18462 5225 1 7 . 1 1 592 592 LEU CB C 592 45.404 45.404 43.743 1.661 18462 5226 1 7 . 1 1 592 592 LEU H H 592 7.369 7.369 7.338 0.031 18462 5227 1 7 . 1 1 593 593 GLN N N 593 122.109 122.109 120.509 1.600 18462 5228 1 7 . 1 1 593 593 GLN HA H 593 4.564 4.564 4.634 -0.070 18462 5229 1 7 . 1 1 593 593 GLN C C 593 175.827 175.827 175.483 0.344 18462 5230 1 7 . 1 1 593 593 GLN CA C 593 54.303 54.303 55.673 -1.370 18462 5231 1 7 . 1 1 593 593 GLN CB C 593 26.882 26.882 27.821 -0.939 18462 5232 1 7 . 1 1 593 593 GLN H H 593 8.599 8.599 8.471 0.128 18462 5233 1 7 . 1 1 594 594 ILE N N 594 118.085 118.085 118.330 -0.245 18462 5234 1 7 . 1 1 594 594 ILE HA H 594 4.755 4.755 4.566 0.189 18462 5235 1 7 . 1 1 594 594 ILE C C 594 175.093 175.093 174.506 0.587 18462 5236 1 7 . 1 1 594 594 ILE CA C 594 58.831 58.831 58.895 -0.064 18462 5237 1 7 . 1 1 594 594 ILE CB C 594 42.591 42.591 40.633 1.958 18462 5238 1 7 . 1 1 594 594 ILE H H 594 7.635 7.635 7.949 -0.314 18462 5239 1 7 . 1 1 595 595 ARG N N 595 123.800 123.800 121.609 2.191 18462 5240 1 7 . 1 1 595 595 ARG HA H 595 4.038 4.038 4.255 -0.217 18462 5241 1 7 . 1 1 595 595 ARG C C 595 175.440 175.440 175.439 0.001 18462 5242 1 7 . 1 1 595 595 ARG CA C 595 56.386 56.386 56.341 0.045 18462 5243 1 7 . 1 1 595 595 ARG CB C 595 30.516 30.516 30.635 -0.119 18462 5244 1 7 . 1 1 595 595 ARG H H 595 9.075 9.075 8.280 0.795 18462 5245 1 7 . 1 1 596 596 GLN N N 596 124.290 124.290 121.476 2.814 18462 5246 1 7 . 1 1 596 596 GLN HA H 596 4.420 4.420 4.329 0.091 18462 5247 1 7 . 1 1 596 596 GLN C C 596 174.630 174.630 174.689 -0.059 18462 5248 1 7 . 1 1 596 596 GLN CA C 596 52.907 52.907 54.565 -1.658 18462 5249 1 7 . 1 1 596 596 GLN CB C 596 30.164 30.164 30.744 -0.580 18462 5250 1 7 . 1 1 596 596 GLN H H 596 8.495 8.495 8.336 0.159 18462 5251 1 7 . 1 1 597 597 TYR N N 597 121.829 121.829 121.712 0.117 18462 5252 1 7 . 1 1 597 597 TYR HA H 597 4.767 4.767 4.204 0.563 18462 5253 1 7 . 1 1 597 597 TYR C C 597 175.453 175.453 177.086 -1.633 18462 5254 1 7 . 1 1 597 597 TYR CA C 597 57.467 57.467 57.647 -0.180 18462 5255 1 7 . 1 1 597 597 TYR CB C 597 38.839 38.839 38.428 0.411 18462 5256 1 7 . 1 1 597 597 TYR H H 597 7.966 7.966 8.307 -0.341 18462 5257 1 7 . 1 1 598 598 ALA N N 598 129.272 129.272 123.368 5.904 18462 5258 1 7 . 1 1 598 598 ALA HA H 598 4.191 4.191 4.126 0.065 18462 5259 1 7 . 1 1 598 598 ALA C C 598 177.425 177.425 176.779 0.646 18462 5260 1 7 . 1 1 598 598 ALA CA C 598 54.040 54.040 53.854 0.186 18462 5261 1 7 . 1 1 598 598 ALA CB C 598 17.749 17.749 18.395 -0.646 18462 5262 1 7 . 1 1 598 598 ALA H H 598 9.540 9.540 8.723 0.817 18462 5263 1 7 . 1 1 599 599 TYR N N 599 115.845 115.845 112.096 3.749 18462 5264 1 7 . 1 1 599 599 TYR HA H 599 4.560 4.560 4.462 0.098 18462 5265 1 7 . 1 1 599 599 TYR C C 599 173.276 173.276 177.066 -3.790 18462 5266 1 7 . 1 1 599 599 TYR CA C 599 58.172 58.172 58.749 -0.577 18462 5267 1 7 . 1 1 599 599 TYR CB C 599 36.432 36.432 37.719 -1.287 18462 5268 1 7 . 1 1 599 599 TYR H H 599 8.496 8.496 7.605 0.891 18462 5269 1 7 . 1 1 600 600 LEU N N 600 120.764 120.764 120.450 0.314 18462 5270 1 7 . 1 1 600 600 LEU HA H 600 4.260 4.260 4.313 -0.053 18462 5271 1 7 . 1 1 600 600 LEU C C 600 176.164 176.164 178.022 -1.858 18462 5272 1 7 . 1 1 600 600 LEU CA C 600 54.303 54.303 55.274 -0.971 18462 5273 1 7 . 1 1 600 600 LEU CB C 600 41.419 41.419 40.913 0.505 18462 5274 1 7 . 1 1 600 600 LEU H H 600 7.299 7.299 7.517 -0.218 18462 5275 1 7 . 1 1 601 601 SER N N 601 114.419 114.419 112.508 1.911 18462 5276 1 7 . 1 1 601 601 SER HA H 601 4.418 4.418 4.320 0.098 18462 5277 1 7 . 1 1 601 601 SER C C 601 177.754 177.754 174.243 3.511 18462 5278 1 7 . 1 1 601 601 SER CA C 601 58.054 58.054 58.685 -0.631 18462 5279 1 7 . 1 1 601 601 SER CB C 601 63.212 63.212 63.227 -0.015 18462 5280 1 7 . 1 1 601 601 SER H H 601 7.896 7.896 7.393 0.503 18462 5281 1 7 . 1 1 602 602 ASP N N 602 122.293 122.293 122.344 -0.051 18462 5282 1 7 . 1 1 602 602 ASP HA H 602 4.651 4.651 4.487 0.164 18462 5283 1 7 . 1 1 602 602 ASP C C 602 174.087 174.087 176.087 -2.000 18462 5284 1 7 . 1 1 602 602 ASP CA C 602 53.845 53.845 55.152 -1.307 18462 5285 1 7 . 1 1 602 602 ASP CB C 602 40.481 40.481 41.599 -1.118 18462 5286 1 7 . 1 1 602 602 ASP H H 602 8.257 8.257 7.480 0.777 18462 5287 1 7 . 1 1 603 603 ARG N N 603 121.398 121.398 125.550 -4.152 18462 5288 1 7 . 1 1 603 603 ARG HA H 603 4.454 4.454 4.344 0.110 18462 5289 1 7 . 1 1 603 603 ARG C C 603 176.111 176.111 176.051 0.060 18462 5290 1 7 . 1 1 603 603 ARG CA C 603 55.241 55.241 56.927 -1.686 18462 5291 1 7 . 1 1 603 603 ARG CB C 603 30.164 30.164 30.860 -0.696 18462 5292 1 7 . 1 1 603 603 ARG H H 603 8.234 8.234 8.422 -0.188 18462 5293 1 8 . 1 1 473 473 ASN HA H 473 4.815 4.815 5.210 -0.395 18462 5294 1 8 . 1 1 473 473 ASN CA C 473 52.204 52.204 53.561 -1.357 18462 5295 1 8 . 1 1 473 473 ASN CB C 473 38.371 38.371 39.295 -0.924 18462 5296 1 8 . 1 1 474 474 LYS N N 474 122.150 122.150 121.065 1.085 18462 5297 1 8 . 1 1 474 474 LYS HA H 474 4.375 4.375 4.547 -0.172 18462 5298 1 8 . 1 1 474 474 LYS C C 474 174.965 174.965 174.945 0.020 18462 5299 1 8 . 1 1 474 474 LYS CA C 474 55.944 55.944 55.537 0.407 18462 5300 1 8 . 1 1 474 474 LYS CB C 474 32.405 32.405 34.575 -2.170 18462 5301 1 8 . 1 1 474 474 LYS H H 474 8.586 8.586 8.398 0.188 18462 5302 1 8 . 1 1 475 475 ARG N N 475 122.278 122.278 122.149 0.129 18462 5303 1 8 . 1 1 475 475 ARG HA H 475 4.374 4.374 4.642 -0.268 18462 5304 1 8 . 1 1 475 475 ARG C C 475 176.695 176.695 174.809 1.886 18462 5305 1 8 . 1 1 475 475 ARG CA C 475 55.944 55.944 56.344 -0.400 18462 5306 1 8 . 1 1 475 475 ARG CB C 475 30.164 30.164 31.770 -1.606 18462 5307 1 8 . 1 1 475 475 ARG H H 475 8.662 8.662 8.572 0.090 18462 5308 1 8 . 1 1 476 476 MET N N 476 122.046 122.046 124.110 -2.064 18462 5309 1 8 . 1 1 476 476 MET HA H 476 4.496 4.496 4.527 -0.031 18462 5310 1 8 . 1 1 476 476 MET C C 476 176.359 176.359 174.596 1.763 18462 5311 1 8 . 1 1 476 476 MET CA C 476 54.537 54.537 55.007 -0.470 18462 5312 1 8 . 1 1 476 476 MET CB C 476 32.509 32.509 33.066 -0.557 18462 5313 1 8 . 1 1 476 476 MET H H 476 8.490 8.490 8.571 -0.081 18462 5314 1 8 . 1 1 477 477 LYS N N 477 123.768 123.768 123.553 0.215 18462 5315 1 8 . 1 1 477 477 LYS HA H 477 4.384 4.384 4.425 -0.041 18462 5316 1 8 . 1 1 477 477 LYS C C 477 176.015 176.015 175.354 0.661 18462 5317 1 8 . 1 1 477 477 LYS CA C 477 55.834 55.834 56.468 -0.634 18462 5318 1 8 . 1 1 477 477 LYS CB C 477 32.107 32.107 32.807 -0.700 18462 5319 1 8 . 1 1 477 477 LYS H H 477 8.472 8.472 8.144 0.328 18462 5320 1 8 . 1 1 478 478 VAL N N 478 122.460 122.460 123.234 -0.774 18462 5321 1 8 . 1 1 478 478 VAL HA H 478 4.054 4.054 4.265 -0.211 18462 5322 1 8 . 1 1 478 478 VAL C C 478 176.320 176.320 174.860 1.460 18462 5323 1 8 . 1 1 478 478 VAL CA C 478 61.337 61.337 61.282 0.055 18462 5324 1 8 . 1 1 478 478 VAL CB C 478 32.275 32.275 34.562 -2.287 18462 5325 1 8 . 1 1 478 478 VAL H H 478 8.230 8.230 8.150 0.080 18462 5326 1 8 . 1 1 479 479 LYS N N 479 126.119 126.119 124.622 1.497 18462 5327 1 8 . 1 1 479 479 LYS HA H 479 4.365 4.365 4.548 -0.183 18462 5328 1 8 . 1 1 479 479 LYS C C 479 175.605 175.605 175.575 0.030 18462 5329 1 8 . 1 1 479 479 LYS CA C 479 55.006 55.006 55.548 -0.542 18462 5330 1 8 . 1 1 479 479 LYS CB C 479 32.098 32.098 33.221 -1.123 18462 5331 1 8 . 1 1 479 479 LYS H H 479 8.453 8.453 8.287 0.166 18462 5332 1 8 . 1 1 480 480 HIS N N 480 121.065 121.065 119.056 2.009 18462 5333 1 8 . 1 1 480 480 HIS HA H 480 4.713 4.713 4.702 0.011 18462 5334 1 8 . 1 1 480 480 HIS C C 480 175.937 175.937 175.006 0.931 18462 5335 1 8 . 1 1 480 480 HIS CA C 480 54.537 54.537 54.965 -0.428 18462 5336 1 8 . 1 1 480 480 HIS CB C 480 30.047 30.047 32.148 -2.100 18462 5337 1 8 . 1 1 480 480 HIS H H 480 8.559 8.559 8.679 -0.120 18462 5338 1 8 . 1 1 481 481 ASP HA H 481 4.392 4.392 4.433 -0.041 18462 5339 1 8 . 1 1 481 481 ASP C C 481 174.413 174.413 175.833 -1.420 18462 5340 1 8 . 1 1 481 481 ASP CA C 481 52.907 52.907 53.592 -0.685 18462 5341 1 8 . 1 1 481 481 ASP CB C 481 39.543 39.543 38.584 0.959 18462 5342 1 8 . 1 1 482 482 ASP N N 482 118.362 118.362 117.716 0.646 18462 5343 1 8 . 1 1 482 482 ASP HA H 482 4.710 4.710 4.410 0.300 18462 5344 1 8 . 1 1 482 482 ASP C C 482 175.104 175.104 175.302 -0.198 18462 5345 1 8 . 1 1 482 482 ASP CA C 482 53.376 53.376 54.136 -0.760 18462 5346 1 8 . 1 1 482 482 ASP CB C 482 39.308 39.308 40.497 -1.189 18462 5347 1 8 . 1 1 482 482 ASP H H 482 8.216 8.216 7.944 0.272 18462 5348 1 8 . 1 1 483 483 HIS N N 483 113.578 113.578 112.981 0.597 18462 5349 1 8 . 1 1 483 483 HIS HA H 483 5.886 5.886 5.247 0.639 18462 5350 1 8 . 1 1 483 483 HIS C C 483 175.274 175.274 172.763 2.511 18462 5351 1 8 . 1 1 483 483 HIS CA C 483 55.241 55.241 55.243 -0.002 18462 5352 1 8 . 1 1 483 483 HIS CB C 483 32.040 32.040 31.371 0.669 18462 5353 1 8 . 1 1 483 483 HIS H H 483 7.692 7.692 7.040 0.652 18462 5354 1 8 . 1 1 484 484 TYR N N 484 116.271 116.271 114.729 1.542 18462 5355 1 8 . 1 1 484 484 TYR HA H 484 5.003 5.003 4.921 0.082 18462 5356 1 8 . 1 1 484 484 TYR C C 484 180.038 180.038 173.850 6.188 18462 5357 1 8 . 1 1 484 484 TYR CA C 484 55.241 55.241 55.784 -0.543 18462 5358 1 8 . 1 1 484 484 TYR CB C 484 39.777 39.777 40.644 -0.867 18462 5359 1 8 . 1 1 484 484 TYR H H 484 8.493 8.493 8.773 -0.280 18462 5360 1 8 . 1 1 485 485 GLU N N 485 120.840 120.840 121.341 -0.501 18462 5361 1 8 . 1 1 485 485 GLU HA H 485 5.301 5.301 5.359 -0.058 18462 5362 1 8 . 1 1 485 485 GLU C C 485 174.101 174.101 175.796 -1.695 18462 5363 1 8 . 1 1 485 485 GLU CA C 485 54.772 54.772 55.550 -0.778 18462 5364 1 8 . 1 1 485 485 GLU CB C 485 31.337 31.337 31.650 -0.313 18462 5365 1 8 . 1 1 485 485 GLU H H 485 8.873 8.873 8.746 0.127 18462 5366 1 8 . 1 1 486 486 LEU N N 486 125.807 125.807 125.628 0.179 18462 5367 1 8 . 1 1 486 486 LEU HA H 486 4.762 4.762 4.815 -0.053 18462 5368 1 8 . 1 1 486 486 LEU C C 486 175.613 175.613 174.986 0.627 18462 5369 1 8 . 1 1 486 486 LEU CA C 486 53.645 53.645 54.528 -0.883 18462 5370 1 8 . 1 1 486 486 LEU CB C 486 45.873 45.873 45.297 0.576 18462 5371 1 8 . 1 1 486 486 LEU H H 486 8.957 8.957 8.967 -0.010 18462 5372 1 8 . 1 1 487 487 ILE N N 487 125.332 125.332 127.738 -2.406 18462 5373 1 8 . 1 1 487 487 ILE HA H 487 5.007 5.007 4.451 0.556 18462 5374 1 8 . 1 1 487 487 ILE C C 487 174.543 174.543 175.594 -1.051 18462 5375 1 8 . 1 1 487 487 ILE CA C 487 59.695 59.695 61.408 -1.713 18462 5376 1 8 . 1 1 487 487 ILE CB C 487 37.433 37.433 38.172 -0.740 18462 5377 1 8 . 1 1 487 487 ILE H H 487 8.549 8.549 8.451 0.098 18462 5378 1 8 . 1 1 488 488 VAL N N 488 129.307 129.307 127.946 1.361 18462 5379 1 8 . 1 1 488 488 VAL HA H 488 4.304 4.304 4.148 0.156 18462 5380 1 8 . 1 1 488 488 VAL C C 488 176.678 176.678 175.240 1.438 18462 5381 1 8 . 1 1 488 488 VAL CA C 488 60.868 60.868 60.810 0.058 18462 5382 1 8 . 1 1 488 488 VAL CB C 488 33.681 33.681 34.776 -1.095 18462 5383 1 8 . 1 1 488 488 VAL H H 488 9.456 9.456 8.593 0.863 18462 5384 1 8 . 1 1 489 489 ASP N N 489 128.884 128.884 127.248 1.636 18462 5385 1 8 . 1 1 489 489 ASP HA H 489 4.301 4.301 4.250 0.051 18462 5386 1 8 . 1 1 489 489 ASP C C 489 176.084 176.084 177.059 -0.975 18462 5387 1 8 . 1 1 489 489 ASP CA C 489 54.537 54.537 54.732 -0.195 18462 5388 1 8 . 1 1 489 489 ASP CB C 489 39.074 39.074 40.451 -1.377 18462 5389 1 8 . 1 1 489 489 ASP H H 489 9.144 9.144 9.093 0.051 18462 5390 1 8 . 1 1 490 490 GLY N N 490 102.410 102.410 102.297 0.113 18462 5391 1 8 . 1 1 490 490 GLY C C 490 175.998 175.998 173.948 2.050 18462 5392 1 8 . 1 1 490 490 GLY CA C 490 44.818 44.818 45.453 -0.635 18462 5393 1 8 . 1 1 490 490 GLY H H 490 8.210 8.210 8.329 -0.119 18462 5394 1 8 . 1 1 491 491 ARG N N 491 122.605 122.605 120.330 2.275 18462 5395 1 8 . 1 1 491 491 ARG HA H 491 4.597 4.597 4.619 -0.022 18462 5396 1 8 . 1 1 491 491 ARG C C 491 173.256 173.256 175.185 -1.929 18462 5397 1 8 . 1 1 491 491 ARG CA C 491 53.610 53.610 54.223 -0.613 18462 5398 1 8 . 1 1 491 491 ARG CB C 491 32.040 32.040 32.068 -0.028 18462 5399 1 8 . 1 1 491 491 ARG H H 491 7.938 7.938 7.825 0.113 18462 5400 1 8 . 1 1 492 492 VAL N N 492 123.769 123.769 124.279 -0.510 18462 5401 1 8 . 1 1 492 492 VAL HA H 492 4.128 4.128 3.731 0.397 18462 5402 1 8 . 1 1 492 492 VAL C C 492 173.470 173.470 175.097 -1.627 18462 5403 1 8 . 1 1 492 492 VAL CA C 492 62.210 62.210 62.683 -0.473 18462 5404 1 8 . 1 1 492 492 VAL CB C 492 32.040 32.040 31.912 0.128 18462 5405 1 8 . 1 1 492 492 VAL H H 492 8.157 8.157 8.548 -0.391 18462 5406 1 8 . 1 1 493 493 TYR N N 493 124.842 124.842 126.284 -1.442 18462 5407 1 8 . 1 1 493 493 TYR HA H 493 4.632 4.632 4.772 -0.140 18462 5408 1 8 . 1 1 493 493 TYR C C 493 174.288 174.288 175.161 -0.873 18462 5409 1 8 . 1 1 493 493 TYR CA C 493 56.308 56.308 53.702 2.606 18462 5410 1 8 . 1 1 493 493 TYR CB C 493 40.481 40.481 40.371 0.110 18462 5411 1 8 . 1 1 493 493 TYR H H 493 8.981 8.981 8.492 0.489 18462 5412 1 8 . 1 1 494 494 TYR N N 494 120.511 120.511 118.640 1.871 18462 5413 1 8 . 1 1 494 494 TYR HA H 494 4.763 4.763 5.243 -0.480 18462 5414 1 8 . 1 1 494 494 TYR C C 494 173.811 173.811 175.342 -1.531 18462 5415 1 8 . 1 1 494 494 TYR CA C 494 56.764 56.764 56.550 0.214 18462 5416 1 8 . 1 1 494 494 TYR CB C 494 38.722 38.722 40.252 -1.530 18462 5417 1 8 . 1 1 494 494 TYR H H 494 9.235 9.235 9.166 0.069 18462 5418 1 8 . 1 1 495 495 ILE N N 495 124.930 124.930 122.225 2.705 18462 5419 1 8 . 1 1 495 495 ILE HA H 495 4.780 4.780 4.953 -0.173 18462 5420 1 8 . 1 1 495 495 ILE C C 495 174.764 174.764 175.363 -0.599 18462 5421 1 8 . 1 1 495 495 ILE CA C 495 57.714 57.714 59.061 -1.347 18462 5422 1 8 . 1 1 495 495 ILE CB C 495 36.729 36.729 40.992 -4.263 18462 5423 1 8 . 1 1 495 495 ILE H H 495 9.136 9.136 9.247 -0.111 18462 5424 1 8 . 1 1 496 496 CYS N N 496 127.535 127.535 127.469 0.066 18462 5425 1 8 . 1 1 496 496 CYS HA H 496 4.745 4.745 4.722 0.023 18462 5426 1 8 . 1 1 496 496 CYS C C 496 176.128 176.128 176.908 -0.780 18462 5427 1 8 . 1 1 496 496 CYS CA C 496 60.574 60.574 59.025 1.549 18462 5428 1 8 . 1 1 496 496 CYS CB C 496 29.227 29.227 28.047 1.181 18462 5429 1 8 . 1 1 496 496 CYS H H 496 9.016 9.016 8.565 0.451 18462 5430 1 8 . 1 1 497 497 ILE N N 497 129.645 129.645 126.493 3.152 18462 5431 1 8 . 1 1 497 497 ILE HA H 497 4.176 4.176 4.188 -0.012 18462 5432 1 8 . 1 1 497 497 ILE C C 497 177.925 177.925 176.727 1.198 18462 5433 1 8 . 1 1 497 497 ILE CA C 497 63.447 63.447 64.606 -1.159 18462 5434 1 8 . 1 1 497 497 ILE CB C 497 39.543 39.543 37.763 1.780 18462 5435 1 8 . 1 1 497 497 ILE H H 497 8.295 8.295 8.395 -0.099 18462 5436 1 8 . 1 1 498 498 VAL N N 498 123.791 123.791 122.054 1.737 18462 5437 1 8 . 1 1 498 498 VAL HA H 498 3.939 3.939 3.769 0.170 18462 5438 1 8 . 1 1 498 498 VAL C C 498 176.127 176.127 177.403 -1.276 18462 5439 1 8 . 1 1 498 498 VAL CA C 498 64.619 64.619 65.628 -1.009 18462 5440 1 8 . 1 1 498 498 VAL CB C 498 32.275 32.275 31.615 0.660 18462 5441 1 8 . 1 1 498 498 VAL H H 498 8.993 8.993 8.304 0.689 18462 5442 1 8 . 1 1 499 499 CYS N N 499 117.267 117.267 112.222 5.045 18462 5443 1 8 . 1 1 499 499 CYS HA H 499 5.157 5.157 4.884 0.273 18462 5444 1 8 . 1 1 499 499 CYS C C 499 177.106 177.106 174.959 2.147 18462 5445 1 8 . 1 1 499 499 CYS CA C 499 57.820 57.820 57.729 0.091 18462 5446 1 8 . 1 1 499 499 CYS CB C 499 31.571 31.571 29.397 2.174 18462 5447 1 8 . 1 1 499 499 CYS H H 499 8.307 8.307 7.994 0.313 18462 5448 1 8 . 1 1 500 500 LYS N N 500 117.950 117.950 118.839 -0.889 18462 5449 1 8 . 1 1 500 500 LYS HA H 500 4.306 4.306 4.078 0.228 18462 5450 1 8 . 1 1 500 500 LYS C C 500 175.869 175.869 175.557 0.312 18462 5451 1 8 . 1 1 500 500 LYS CA C 500 57.585 57.585 57.282 0.303 18462 5452 1 8 . 1 1 500 500 LYS CB C 500 28.289 28.289 29.710 -1.421 18462 5453 1 8 . 1 1 500 500 LYS H H 500 8.169 8.169 8.253 -0.084 18462 5454 1 8 . 1 1 501 501 ARG N N 501 121.270 121.270 119.740 1.530 18462 5455 1 8 . 1 1 501 501 ARG HA H 501 4.090 4.090 4.178 -0.088 18462 5456 1 8 . 1 1 501 501 ARG C C 501 175.587 175.587 175.749 -0.162 18462 5457 1 8 . 1 1 501 501 ARG CA C 501 58.289 58.289 56.082 2.207 18462 5458 1 8 . 1 1 501 501 ARG CB C 501 29.694 29.694 31.140 -1.446 18462 5459 1 8 . 1 1 501 501 ARG H H 501 8.071 8.071 7.696 0.375 18462 5460 1 8 . 1 1 502 502 SER N N 502 112.997 112.997 117.480 -4.483 18462 5461 1 8 . 1 1 502 502 SER HA H 502 5.003 5.003 4.762 0.241 18462 5462 1 8 . 1 1 502 502 SER C C 502 174.417 174.417 173.262 1.155 18462 5463 1 8 . 1 1 502 502 SER CA C 502 55.475 55.475 57.218 -1.743 18462 5464 1 8 . 1 1 502 502 SER CB C 502 65.088 65.088 64.470 0.618 18462 5465 1 8 . 1 1 502 502 SER H H 502 7.553 7.553 8.195 -0.642 18462 5466 1 8 . 1 1 503 503 TYR N N 503 121.115 121.115 122.470 -1.355 18462 5467 1 8 . 1 1 503 503 TYR HA H 503 4.996 4.996 4.621 0.375 18462 5468 1 8 . 1 1 503 503 TYR C C 503 173.707 173.707 175.474 -1.767 18462 5469 1 8 . 1 1 503 503 TYR CA C 503 57.585 57.585 57.762 -0.177 18462 5470 1 8 . 1 1 503 503 TYR CB C 503 42.244 42.244 41.737 0.507 18462 5471 1 8 . 1 1 503 503 TYR H H 503 8.958 8.958 8.793 0.165 18462 5472 1 8 . 1 1 504 504 VAL N N 504 119.390 119.390 122.557 -3.167 18462 5473 1 8 . 1 1 504 504 VAL HA H 504 4.376 4.376 4.001 0.375 18462 5474 1 8 . 1 1 504 504 VAL C C 504 176.390 176.390 176.061 0.329 18462 5475 1 8 . 1 1 504 504 VAL CA C 504 62.275 62.275 64.091 -1.816 18462 5476 1 8 . 1 1 504 504 VAL CB C 504 33.025 33.025 32.163 0.862 18462 5477 1 8 . 1 1 504 504 VAL H H 504 9.988 9.988 8.741 1.247 18462 5478 1 8 . 1 1 505 505 CYS N N 505 113.800 113.800 115.159 -1.359 18462 5479 1 8 . 1 1 505 505 CYS HA H 505 4.998 4.998 4.812 0.186 18462 5480 1 8 . 1 1 505 505 CYS C C 505 176.603 176.603 175.119 1.484 18462 5481 1 8 . 1 1 505 505 CYS CA C 505 56.647 56.647 57.779 -1.132 18462 5482 1 8 . 1 1 505 505 CYS CB C 505 38.406 38.406 31.191 7.215 18462 5483 1 8 . 1 1 505 505 CYS H H 505 7.518 7.518 7.664 -0.146 18462 5484 1 8 . 1 1 506 506 LEU N N 506 129.535 129.535 122.795 6.740 18462 5485 1 8 . 1 1 506 506 LEU HA H 506 3.325 3.325 3.819 -0.494 18462 5486 1 8 . 1 1 506 506 LEU C C 506 174.727 174.727 177.781 -3.054 18462 5487 1 8 . 1 1 506 506 LEU CA C 506 56.647 56.647 57.587 -0.940 18462 5488 1 8 . 1 1 506 506 LEU CB C 506 39.308 39.308 41.316 -2.008 18462 5489 1 8 . 1 1 506 506 LEU H H 506 8.602 8.602 8.494 0.108 18462 5490 1 8 . 1 1 507 507 THR N N 507 108.833 108.833 111.788 -2.955 18462 5491 1 8 . 1 1 507 507 THR HA H 507 3.820 3.820 3.958 -0.138 18462 5492 1 8 . 1 1 507 507 THR C C 507 178.905 178.905 176.097 2.808 18462 5493 1 8 . 1 1 507 507 THR CA C 507 64.150 64.150 65.715 -1.565 18462 5494 1 8 . 1 1 507 507 THR CB C 507 66.260 66.260 67.813 -1.553 18462 5495 1 8 . 1 1 507 507 THR H H 507 8.087 8.087 8.050 0.037 18462 5496 1 8 . 1 1 508 508 SER N N 508 119.009 119.009 116.960 2.049 18462 5497 1 8 . 1 1 508 508 SER HA H 508 4.123 4.123 4.098 0.026 18462 5498 1 8 . 1 1 508 508 SER C C 508 178.467 178.467 176.012 2.455 18462 5499 1 8 . 1 1 508 508 SER CA C 508 59.461 59.461 60.823 -1.362 18462 5500 1 8 . 1 1 508 508 SER CB C 508 62.978 62.978 62.653 0.326 18462 5501 1 8 . 1 1 508 508 SER H H 508 7.230 7.230 8.222 -0.992 18462 5502 1 8 . 1 1 509 509 LEU N N 509 127.365 127.365 124.017 3.348 18462 5503 1 8 . 1 1 509 509 LEU HA H 509 3.216 3.216 3.345 -0.129 18462 5504 1 8 . 1 1 509 509 LEU C C 509 176.740 176.740 177.737 -0.997 18462 5505 1 8 . 1 1 509 509 LEU CA C 509 57.351 57.351 57.617 -0.266 18462 5506 1 8 . 1 1 509 509 LEU CB C 509 39.074 39.074 41.732 -2.658 18462 5507 1 8 . 1 1 509 509 LEU H H 509 7.114 7.114 6.992 0.122 18462 5508 1 8 . 1 1 510 510 ARG N N 510 119.955 119.955 118.730 1.225 18462 5509 1 8 . 1 1 510 510 ARG HA H 510 3.843 3.843 3.931 -0.088 18462 5510 1 8 . 1 1 510 510 ARG C C 510 178.472 178.472 178.693 -0.221 18462 5511 1 8 . 1 1 510 510 ARG CA C 510 61.766 61.766 57.915 3.851 18462 5512 1 8 . 1 1 510 510 ARG CB C 510 28.992 28.992 28.735 0.257 18462 5513 1 8 . 1 1 510 510 ARG H H 510 8.100 8.100 8.448 -0.348 18462 5514 1 8 . 1 1 511 511 ARG N N 511 120.947 120.947 118.943 2.004 18462 5515 1 8 . 1 1 511 511 ARG HA H 511 4.078 4.078 3.884 0.194 18462 5516 1 8 . 1 1 511 511 ARG C C 511 178.262 178.262 177.831 0.431 18462 5517 1 8 . 1 1 511 511 ARG CA C 511 59.054 59.054 59.196 -0.142 18462 5518 1 8 . 1 1 511 511 ARG CB C 511 29.695 29.695 29.977 -0.282 18462 5519 1 8 . 1 1 511 511 ARG H H 511 7.802 7.802 7.789 0.013 18462 5520 1 8 . 1 1 512 512 HIS N N 512 116.820 116.820 117.539 -0.719 18462 5521 1 8 . 1 1 512 512 HIS HA H 512 4.219 4.219 4.268 -0.049 18462 5522 1 8 . 1 1 512 512 HIS C C 512 178.069 178.069 177.509 0.560 18462 5523 1 8 . 1 1 512 512 HIS CA C 512 57.507 57.507 58.797 -1.290 18462 5524 1 8 . 1 1 512 512 HIS CB C 512 27.390 27.390 29.948 -2.558 18462 5525 1 8 . 1 1 512 512 HIS H H 512 7.809 7.809 7.694 0.115 18462 5526 1 8 . 1 1 513 513 PHE N N 513 118.415 118.415 121.050 -2.635 18462 5527 1 8 . 1 1 513 513 PHE HA H 513 3.620 3.620 3.969 -0.349 18462 5528 1 8 . 1 1 513 513 PHE C C 513 176.026 176.026 176.643 -0.617 18462 5529 1 8 . 1 1 513 513 PHE CA C 513 61.102 61.102 61.386 -0.284 18462 5530 1 8 . 1 1 513 513 PHE CB C 513 38.996 38.996 38.922 0.074 18462 5531 1 8 . 1 1 513 513 PHE H H 513 8.898 8.898 8.837 0.061 18462 5532 1 8 . 1 1 514 514 ASN N N 514 114.080 114.080 118.691 -4.611 18462 5533 1 8 . 1 1 514 514 ASN HA H 514 4.988 4.988 4.299 0.689 18462 5534 1 8 . 1 1 514 514 ASN C C 514 176.236 176.236 177.303 -1.067 18462 5535 1 8 . 1 1 514 514 ASN CA C 514 55.006 55.006 55.749 -0.743 18462 5536 1 8 . 1 1 514 514 ASN CB C 514 40.129 40.129 38.550 1.579 18462 5537 1 8 . 1 1 514 514 ASN H H 514 8.678 8.678 7.678 1.000 18462 5538 1 8 . 1 1 515 515 ILE N N 515 114.035 114.035 118.256 -4.221 18462 5539 1 8 . 1 1 515 515 ILE HA H 515 2.997 2.997 3.164 -0.167 18462 5540 1 8 . 1 1 515 515 ILE C C 515 176.292 176.292 175.948 0.344 18462 5541 1 8 . 1 1 515 515 ILE CA C 515 63.447 63.447 63.585 -0.138 18462 5542 1 8 . 1 1 515 515 ILE CB C 515 37.198 37.198 37.498 -0.299 18462 5543 1 8 . 1 1 515 515 ILE H H 515 7.919 7.919 7.818 0.101 18462 5544 1 8 . 1 1 516 516 HIS N N 516 113.136 113.136 117.392 -4.256 18462 5545 1 8 . 1 1 516 516 HIS HA H 516 4.767 4.767 4.551 0.216 18462 5546 1 8 . 1 1 516 516 HIS C C 516 175.870 175.870 177.259 -1.389 18462 5547 1 8 . 1 1 516 516 HIS CA C 516 54.542 54.542 58.218 -3.676 18462 5548 1 8 . 1 1 516 516 HIS CB C 516 27.585 27.585 30.169 -2.584 18462 5549 1 8 . 1 1 516 516 HIS H H 516 7.170 7.170 7.475 -0.305 18462 5550 1 8 . 1 1 517 517 SER N N 517 112.852 112.852 114.301 -1.449 18462 5551 1 8 . 1 1 517 517 SER HA H 517 4.359 4.359 4.302 0.057 18462 5552 1 8 . 1 1 517 517 SER C C 517 177.067 177.067 175.724 1.343 18462 5553 1 8 . 1 1 517 517 SER CA C 517 58.758 58.758 60.580 -1.822 18462 5554 1 8 . 1 1 517 517 SER CB C 517 63.447 63.447 63.937 -0.490 18462 5555 1 8 . 1 1 517 517 SER H H 517 7.886 7.886 7.696 0.190 18462 5556 1 8 . 1 1 518 518 TRP N N 518 122.824 122.824 118.648 4.176 18462 5557 1 8 . 1 1 518 518 TRP HA H 518 4.005 4.005 4.403 -0.398 18462 5558 1 8 . 1 1 518 518 TRP C C 518 175.133 175.133 175.743 -0.610 18462 5559 1 8 . 1 1 518 518 TRP CA C 518 57.820 57.820 58.562 -0.743 18462 5560 1 8 . 1 1 518 518 TRP CB C 518 25.710 25.710 26.846 -1.136 18462 5561 1 8 . 1 1 518 518 TRP H H 518 9.274 9.274 7.719 1.555 18462 5562 1 8 . 1 1 519 519 GLU N N 519 119.673 119.673 117.364 2.309 18462 5563 1 8 . 1 1 519 519 GLU HA H 519 4.042 4.042 4.159 -0.117 18462 5564 1 8 . 1 1 519 519 GLU C C 519 175.353 175.353 176.627 -1.274 18462 5565 1 8 . 1 1 519 519 GLU CA C 519 58.758 58.758 58.229 0.529 18462 5566 1 8 . 1 1 519 519 GLU CB C 519 29.695 29.695 30.509 -0.813 18462 5567 1 8 . 1 1 519 519 GLU H H 519 7.828 7.828 7.766 0.062 18462 5568 1 8 . 1 1 520 520 LYS N N 520 118.358 118.358 119.000 -0.642 18462 5569 1 8 . 1 1 520 520 LYS HA H 520 4.544 4.544 4.416 0.128 18462 5570 1 8 . 1 1 520 520 LYS C C 520 178.036 178.036 174.902 3.134 18462 5571 1 8 . 1 1 520 520 LYS CA C 520 53.845 53.845 55.013 -1.168 18462 5572 1 8 . 1 1 520 520 LYS CB C 520 34.385 34.385 34.029 0.356 18462 5573 1 8 . 1 1 520 520 LYS H H 520 9.085 9.085 8.130 0.955 18462 5574 1 8 . 1 1 521 521 LYS N N 521 118.859 118.859 122.617 -3.758 18462 5575 1 8 . 1 1 521 521 LYS HA H 521 4.658 4.658 4.490 0.168 18462 5576 1 8 . 1 1 521 521 LYS C C 521 175.168 175.168 176.069 -0.901 18462 5577 1 8 . 1 1 521 521 LYS CA C 521 54.537 54.537 55.652 -1.115 18462 5578 1 8 . 1 1 521 521 LYS CB C 521 35.323 35.323 33.953 1.370 18462 5579 1 8 . 1 1 521 521 LYS H H 521 8.238 8.238 8.267 -0.029 18462 5580 1 8 . 1 1 522 522 TYR N N 522 117.305 117.305 121.303 -3.998 18462 5581 1 8 . 1 1 522 522 TYR HA H 522 5.028 5.028 4.903 0.125 18462 5582 1 8 . 1 1 522 522 TYR C C 522 175.016 175.016 174.068 0.948 18462 5583 1 8 . 1 1 522 522 TYR CA C 522 54.537 54.537 55.128 -0.591 18462 5584 1 8 . 1 1 522 522 TYR CB C 522 37.198 37.198 38.369 -1.171 18462 5585 1 8 . 1 1 522 522 TYR H H 522 7.788 7.788 8.670 -0.882 18462 5586 1 8 . 1 1 523 523 PRO HA H 523 5.026 5.026 4.794 0.232 18462 5587 1 8 . 1 1 523 523 PRO CA C 523 61.806 61.806 62.256 -0.450 18462 5588 1 8 . 1 1 523 523 PRO CB C 523 31.839 31.839 32.115 -0.276 18462 5589 1 8 . 1 1 524 524 CYS N N 524 126.569 126.569 124.277 2.292 18462 5590 1 8 . 1 1 524 524 CYS HA H 524 4.739 4.739 4.735 0.004 18462 5591 1 8 . 1 1 524 524 CYS C C 524 176.841 176.841 176.038 0.803 18462 5592 1 8 . 1 1 524 524 CYS CA C 524 60.290 60.290 58.691 1.599 18462 5593 1 8 . 1 1 524 524 CYS CB C 524 29.344 29.344 29.580 -0.236 18462 5594 1 8 . 1 1 524 524 CYS H H 524 9.210 9.210 8.771 0.439 18462 5595 1 8 . 1 1 525 525 ARG N N 525 130.294 130.294 125.308 4.986 18462 5596 1 8 . 1 1 525 525 ARG HA H 525 4.285 4.285 4.142 0.143 18462 5597 1 8 . 1 1 525 525 ARG C C 525 176.390 176.390 177.491 -1.101 18462 5598 1 8 . 1 1 525 525 ARG CA C 525 58.043 58.043 57.402 0.641 18462 5599 1 8 . 1 1 525 525 ARG CB C 525 27.576 27.576 29.832 -2.256 18462 5600 1 8 . 1 1 525 525 ARG H H 525 9.724 9.724 9.280 0.444 18462 5601 1 8 . 1 1 526 526 TYR N N 526 122.622 122.622 116.018 6.604 18462 5602 1 8 . 1 1 526 526 TYR HA H 526 4.517 4.517 4.348 0.169 18462 5603 1 8 . 1 1 526 526 TYR C C 526 176.659 176.659 176.009 0.650 18462 5604 1 8 . 1 1 526 526 TYR CA C 526 58.054 58.054 58.075 -0.021 18462 5605 1 8 . 1 1 526 526 TYR CB C 526 37.628 37.628 38.123 -0.495 18462 5606 1 8 . 1 1 526 526 TYR H H 526 10.439 10.439 8.224 2.215 18462 5607 1 8 . 1 1 527 527 CYS N N 527 122.873 122.873 115.618 7.255 18462 5608 1 8 . 1 1 527 527 CYS HA H 527 5.153 5.153 4.911 0.242 18462 5609 1 8 . 1 1 527 527 CYS C C 527 175.243 175.243 174.333 0.910 18462 5610 1 8 . 1 1 527 527 CYS CA C 527 58.148 58.148 56.230 1.918 18462 5611 1 8 . 1 1 527 527 CYS CB C 527 30.164 30.164 31.092 -0.928 18462 5612 1 8 . 1 1 527 527 CYS H H 527 8.462 8.462 7.623 0.839 18462 5613 1 8 . 1 1 528 528 GLU N N 528 115.906 115.906 118.688 -2.782 18462 5614 1 8 . 1 1 528 528 GLU HA H 528 4.453 4.453 4.181 0.272 18462 5615 1 8 . 1 1 528 528 GLU C C 528 173.484 173.484 176.598 -3.114 18462 5616 1 8 . 1 1 528 528 GLU CA C 528 57.390 57.390 56.748 0.642 18462 5617 1 8 . 1 1 528 528 GLU CB C 528 29.608 29.608 29.148 0.460 18462 5618 1 8 . 1 1 528 528 GLU H H 528 8.704 8.704 8.577 0.127 18462 5619 1 8 . 1 1 529 529 LYS N N 529 125.068 125.068 121.708 3.360 18462 5620 1 8 . 1 1 529 529 LYS HA H 529 4.041 4.041 4.217 -0.176 18462 5621 1 8 . 1 1 529 529 LYS C C 529 176.881 176.881 174.830 2.051 18462 5622 1 8 . 1 1 529 529 LYS CA C 529 57.585 57.585 56.932 0.652 18462 5623 1 8 . 1 1 529 529 LYS CB C 529 33.212 33.212 33.290 -0.078 18462 5624 1 8 . 1 1 529 529 LYS H H 529 8.696 8.696 7.600 1.096 18462 5625 1 8 . 1 1 530 530 VAL N N 530 119.525 119.525 122.522 -2.997 18462 5626 1 8 . 1 1 530 530 VAL HA H 530 4.541 4.541 4.465 0.076 18462 5627 1 8 . 1 1 530 530 VAL C C 530 175.118 175.118 175.483 -0.365 18462 5628 1 8 . 1 1 530 530 VAL CA C 530 60.633 60.633 61.067 -0.434 18462 5629 1 8 . 1 1 530 530 VAL CB C 530 34.150 34.150 33.927 0.223 18462 5630 1 8 . 1 1 530 530 VAL H H 530 8.054 8.054 8.174 -0.120 18462 5631 1 8 . 1 1 531 531 PHE N N 531 122.568 122.568 125.728 -3.160 18462 5632 1 8 . 1 1 531 531 PHE C C 531 174.185 174.185 174.516 -0.331 18462 5633 1 8 . 1 1 531 531 PHE CA C 531 55.586 55.586 55.115 0.471 18462 5634 1 8 . 1 1 531 531 PHE CB C 531 41.184 41.184 40.907 0.277 18462 5635 1 8 . 1 1 531 531 PHE H H 531 8.167 8.167 8.800 -0.633 18462 5636 1 8 . 1 1 532 532 PRO HA H 532 4.359 4.359 4.076 0.283 18462 5637 1 8 . 1 1 532 532 PRO CA C 532 62.216 62.216 62.896 -0.680 18462 5638 1 8 . 1 1 532 532 PRO CB C 532 29.930 29.930 31.839 -1.909 18462 5639 1 8 . 1 1 533 533 LEU N N 533 122.335 122.335 117.836 4.499 18462 5640 1 8 . 1 1 533 533 LEU HA H 533 4.086 4.086 4.192 -0.106 18462 5641 1 8 . 1 1 533 533 LEU C C 533 175.091 175.091 176.614 -1.523 18462 5642 1 8 . 1 1 533 533 LEU CA C 533 55.006 55.006 53.062 1.944 18462 5643 1 8 . 1 1 533 533 LEU CB C 533 43.529 43.529 44.532 -1.003 18462 5644 1 8 . 1 1 533 533 LEU H H 533 6.587 6.587 7.425 -0.838 18462 5645 1 8 . 1 1 534 534 ALA N N 534 126.722 126.722 126.011 0.711 18462 5646 1 8 . 1 1 534 534 ALA HA H 534 2.993 2.993 3.223 -0.230 18462 5647 1 8 . 1 1 534 534 ALA C C 534 175.439 175.439 179.107 -3.668 18462 5648 1 8 . 1 1 534 534 ALA CA C 534 54.537 54.537 54.948 -0.411 18462 5649 1 8 . 1 1 534 534 ALA CB C 534 18.452 18.452 17.447 1.006 18462 5650 1 8 . 1 1 534 534 ALA H H 534 7.698 7.698 8.051 -0.353 18462 5651 1 8 . 1 1 535 535 GLU N N 535 119.354 119.354 118.895 0.459 18462 5652 1 8 . 1 1 535 535 GLU HA H 535 4.675 4.675 4.032 0.643 18462 5653 1 8 . 1 1 535 535 GLU C C 535 180.126 180.126 178.741 1.385 18462 5654 1 8 . 1 1 535 535 GLU CA C 535 58.526 58.526 59.638 -1.112 18462 5655 1 8 . 1 1 535 535 GLU H H 535 9.535 9.535 8.624 0.911 18462 5656 1 8 . 1 1 536 536 TYR N N 536 114.592 114.592 118.072 -3.480 18462 5657 1 8 . 1 1 536 536 TYR HA H 536 4.368 4.368 4.136 0.232 18462 5658 1 8 . 1 1 536 536 TYR C C 536 178.004 178.004 177.689 0.315 18462 5659 1 8 . 1 1 536 536 TYR CA C 536 56.179 56.179 58.337 -2.158 18462 5660 1 8 . 1 1 536 536 TYR CB C 536 35.556 35.556 37.162 -1.606 18462 5661 1 8 . 1 1 536 536 TYR H H 536 6.552 6.552 7.937 -1.385 18462 5662 1 8 . 1 1 537 537 ARG N N 537 119.820 119.820 120.434 -0.614 18462 5663 1 8 . 1 1 537 537 ARG HA H 537 3.209 3.209 3.598 -0.389 18462 5664 1 8 . 1 1 537 537 ARG C C 537 179.469 179.469 178.314 1.155 18462 5665 1 8 . 1 1 537 537 ARG CA C 537 59.131 59.131 59.620 -0.489 18462 5666 1 8 . 1 1 537 537 ARG CB C 537 27.179 27.179 30.091 -2.912 18462 5667 1 8 . 1 1 537 537 ARG H H 537 7.016 7.016 7.600 -0.584 18462 5668 1 8 . 1 1 538 538 THR N N 538 120.080 120.080 117.045 3.035 18462 5669 1 8 . 1 1 538 538 THR HA H 538 3.939 3.939 3.989 -0.050 18462 5670 1 8 . 1 1 538 538 THR C C 538 177.538 177.538 177.068 0.470 18462 5671 1 8 . 1 1 538 538 THR CA C 538 66.026 66.026 66.851 -0.825 18462 5672 1 8 . 1 1 538 538 THR CB C 538 66.964 66.964 68.317 -1.353 18462 5673 1 8 . 1 1 538 538 THR H H 538 8.410 8.410 8.348 0.062 18462 5674 1 8 . 1 1 539 539 LYS N N 539 117.252 117.252 119.571 -2.319 18462 5675 1 8 . 1 1 539 539 LYS HA H 539 4.054 4.054 4.100 -0.046 18462 5676 1 8 . 1 1 539 539 LYS C C 539 176.139 176.139 179.166 -3.027 18462 5677 1 8 . 1 1 539 539 LYS CA C 539 57.116 57.116 58.609 -1.493 18462 5678 1 8 . 1 1 539 539 LYS CB C 539 31.859 31.859 31.813 0.046 18462 5679 1 8 . 1 1 539 539 LYS H H 539 8.012 8.012 8.404 -0.392 18462 5680 1 8 . 1 1 540 540 HIS N N 540 118.983 118.983 119.669 -0.686 18462 5681 1 8 . 1 1 540 540 HIS HA H 540 4.548 4.548 4.307 0.241 18462 5682 1 8 . 1 1 540 540 HIS C C 540 179.568 179.568 177.361 2.207 18462 5683 1 8 . 1 1 540 540 HIS CA C 540 58.758 58.758 59.693 -0.935 18462 5684 1 8 . 1 1 540 540 HIS CB C 540 28.260 28.260 29.850 -1.590 18462 5685 1 8 . 1 1 540 540 HIS H H 540 7.536 7.536 7.814 -0.278 18462 5686 1 8 . 1 1 541 541 GLU N N 541 122.073 122.073 119.595 2.478 18462 5687 1 8 . 1 1 541 541 GLU HA H 541 4.215 4.215 4.287 -0.072 18462 5688 1 8 . 1 1 541 541 GLU C C 541 177.829 177.829 179.144 -1.315 18462 5689 1 8 . 1 1 541 541 GLU CA C 541 61.181 61.181 58.753 2.428 18462 5690 1 8 . 1 1 541 541 GLU CB C 541 29.712 29.712 29.052 0.660 18462 5691 1 8 . 1 1 541 541 GLU H H 541 9.540 9.540 8.654 0.886 18462 5692 1 8 . 1 1 542 542 ILE N N 542 121.307 121.307 119.703 1.604 18462 5693 1 8 . 1 1 542 542 ILE HA H 542 4.335 4.335 3.806 0.529 18462 5694 1 8 . 1 1 542 542 ILE C C 542 179.666 179.666 177.752 1.914 18462 5695 1 8 . 1 1 542 542 ILE CA C 542 61.806 61.806 65.274 -3.468 18462 5696 1 8 . 1 1 542 542 ILE CB C 542 36.729 36.729 37.928 -1.199 18462 5697 1 8 . 1 1 542 542 ILE H H 542 8.275 8.275 8.399 -0.124 18462 5698 1 8 . 1 1 543 543 HIS N N 543 118.514 118.514 117.980 0.534 18462 5699 1 8 . 1 1 543 543 HIS HA H 543 4.257 4.257 4.288 -0.031 18462 5700 1 8 . 1 1 543 543 HIS C C 543 178.283 178.283 176.662 1.621 18462 5701 1 8 . 1 1 543 543 HIS CA C 543 58.758 58.758 59.306 -0.548 18462 5702 1 8 . 1 1 543 543 HIS CB C 543 26.882 26.882 29.383 -2.501 18462 5703 1 8 . 1 1 543 543 HIS H H 543 7.744 7.744 7.575 0.169 18462 5704 1 8 . 1 1 544 544 HIS N N 544 115.805 115.805 115.976 -0.171 18462 5705 1 8 . 1 1 544 544 HIS HA H 544 4.317 4.317 4.448 -0.131 18462 5706 1 8 . 1 1 544 544 HIS C C 544 178.058 178.058 176.765 1.293 18462 5707 1 8 . 1 1 544 544 HIS CA C 544 58.054 58.054 58.206 -0.152 18462 5708 1 8 . 1 1 544 544 HIS CB C 544 36.882 36.882 30.550 6.332 18462 5709 1 8 . 1 1 544 544 HIS H H 544 7.537 7.537 7.479 0.058 18462 5710 1 8 . 1 1 545 545 THR N N 545 109.469 109.469 110.002 -0.533 18462 5711 1 8 . 1 1 545 545 THR HA H 545 4.184 4.184 4.082 0.102 18462 5712 1 8 . 1 1 545 545 THR C C 545 177.277 177.277 176.071 1.206 18462 5713 1 8 . 1 1 545 545 THR CA C 545 62.509 62.509 63.514 -1.004 18462 5714 1 8 . 1 1 545 545 THR CB C 545 68.839 68.839 69.937 -1.098 18462 5715 1 8 . 1 1 545 545 THR H H 545 7.991 7.991 7.873 0.118 18462 5716 1 8 . 1 1 546 546 GLY N N 546 113.407 113.407 110.794 2.613 18462 5717 1 8 . 1 1 546 546 GLY C C 546 177.501 177.501 173.894 3.607 18462 5718 1 8 . 1 1 546 546 GLY CA C 546 44.935 44.935 44.896 0.039 18462 5719 1 8 . 1 1 546 546 GLY H H 546 8.530 8.530 8.261 0.269 18462 5720 1 8 . 1 1 547 547 GLU N N 547 123.901 123.901 120.855 3.046 18462 5721 1 8 . 1 1 547 547 GLU HA H 547 3.913 3.913 4.079 -0.166 18462 5722 1 8 . 1 1 547 547 GLU C C 547 173.687 173.687 176.145 -2.458 18462 5723 1 8 . 1 1 547 547 GLU CA C 547 56.413 56.413 56.461 -0.048 18462 5724 1 8 . 1 1 547 547 GLU CB C 547 29.123 29.123 30.348 -1.225 18462 5725 1 8 . 1 1 547 547 GLU H H 547 7.301 7.301 7.536 -0.235 18462 5726 1 8 . 1 1 548 548 ARG N N 548 128.505 128.505 127.913 0.592 18462 5727 1 8 . 1 1 548 548 ARG HA H 548 4.444 4.444 4.490 -0.046 18462 5728 1 8 . 1 1 548 548 ARG C C 548 175.180 175.180 176.528 -1.348 18462 5729 1 8 . 1 1 548 548 ARG CA C 548 55.059 55.059 55.612 -0.553 18462 5730 1 8 . 1 1 548 548 ARG CB C 548 29.227 29.227 28.307 0.920 18462 5731 1 8 . 1 1 548 548 ARG H H 548 8.752 8.752 8.620 0.132 18462 5732 1 8 . 1 1 549 549 ARG N N 549 121.815 121.815 119.801 2.014 18462 5733 1 8 . 1 1 549 549 ARG HA H 549 4.205 4.205 4.316 -0.111 18462 5734 1 8 . 1 1 549 549 ARG C C 549 175.850 175.850 176.087 -0.237 18462 5735 1 8 . 1 1 549 549 ARG CA C 549 57.350 57.350 57.580 -0.230 18462 5736 1 8 . 1 1 549 549 ARG CB C 549 32.980 32.980 30.905 2.075 18462 5737 1 8 . 1 1 549 549 ARG H H 549 9.440 9.440 7.830 1.610 18462 5738 1 8 . 1 1 550 550 TYR N N 550 116.087 116.087 120.766 -4.679 18462 5739 1 8 . 1 1 550 550 TYR C C 550 176.129 176.129 174.279 1.850 18462 5740 1 8 . 1 1 550 550 TYR CA C 550 58.169 58.169 57.540 0.629 18462 5741 1 8 . 1 1 550 550 TYR CB C 550 38.994 38.994 38.273 0.721 18462 5742 1 8 . 1 1 550 550 TYR H H 550 8.287 8.287 7.823 0.464 18462 5743 1 8 . 1 1 551 551 GLN N N 551 125.096 125.096 125.057 0.039 18462 5744 1 8 . 1 1 551 551 GLN HA H 551 5.275 5.275 4.919 0.356 18462 5745 1 8 . 1 1 551 551 GLN C C 551 175.080 175.080 174.607 0.473 18462 5746 1 8 . 1 1 551 551 GLN CA C 551 53.610 53.610 54.205 -0.595 18462 5747 1 8 . 1 1 551 551 GLN CB C 551 31.152 31.152 32.287 -1.135 18462 5748 1 8 . 1 1 551 551 GLN H H 551 9.656 9.656 9.211 0.445 18462 5749 1 8 . 1 1 552 552 CYS N N 552 128.697 128.697 125.992 2.705 18462 5750 1 8 . 1 1 552 552 CYS HA H 552 4.584 4.584 4.837 -0.253 18462 5751 1 8 . 1 1 552 552 CYS C C 552 175.231 175.231 175.337 -0.106 18462 5752 1 8 . 1 1 552 552 CYS CA C 552 59.461 59.461 59.866 -0.405 18462 5753 1 8 . 1 1 552 552 CYS CB C 552 29.695 29.695 28.412 1.284 18462 5754 1 8 . 1 1 552 552 CYS H H 552 9.427 9.427 9.195 0.232 18462 5755 1 8 . 1 1 553 553 LEU N N 553 130.168 130.168 125.788 4.380 18462 5756 1 8 . 1 1 553 553 LEU HA H 553 4.396 4.396 4.494 -0.098 18462 5757 1 8 . 1 1 553 553 LEU C C 553 177.402 177.402 177.955 -0.553 18462 5758 1 8 . 1 1 553 553 LEU CA C 553 55.710 55.710 56.098 -0.388 18462 5759 1 8 . 1 1 553 553 LEU CB C 553 40.246 40.246 42.187 -1.941 18462 5760 1 8 . 1 1 553 553 LEU H H 553 8.632 8.632 9.072 -0.440 18462 5761 1 8 . 1 1 554 554 ALA N N 554 125.048 125.048 123.267 1.781 18462 5762 1 8 . 1 1 554 554 ALA HA H 554 4.295 4.295 4.111 0.184 18462 5763 1 8 . 1 1 554 554 ALA C C 554 177.657 177.657 178.122 -0.465 18462 5764 1 8 . 1 1 554 554 ALA CA C 554 53.610 53.610 54.312 -0.702 18462 5765 1 8 . 1 1 554 554 ALA CB C 554 16.577 16.577 18.789 -2.212 18462 5766 1 8 . 1 1 554 554 ALA H H 554 8.847 8.847 8.201 0.646 18462 5767 1 8 . 1 1 555 555 CYS N N 555 113.388 113.388 112.528 0.860 18462 5768 1 8 . 1 1 555 555 CYS HA H 555 5.299 5.299 4.991 0.308 18462 5769 1 8 . 1 1 555 555 CYS C C 555 178.854 178.854 175.861 2.993 18462 5770 1 8 . 1 1 555 555 CYS CA C 555 57.820 57.820 57.229 0.591 18462 5771 1 8 . 1 1 555 555 CYS CB C 555 31.665 31.665 29.487 2.178 18462 5772 1 8 . 1 1 555 555 CYS H H 555 8.146 8.146 7.824 0.322 18462 5773 1 8 . 1 1 556 556 GLY N N 556 114.264 114.264 109.808 4.456 18462 5774 1 8 . 1 1 556 556 GLY C C 556 176.084 176.084 174.665 1.419 18462 5775 1 8 . 1 1 556 556 GLY CA C 556 45.639 45.639 45.551 0.088 18462 5776 1 8 . 1 1 556 556 GLY H H 556 8.104 8.104 8.507 -0.403 18462 5777 1 8 . 1 1 557 557 LYS N N 557 123.318 123.318 121.385 1.933 18462 5778 1 8 . 1 1 557 557 LYS HA H 557 4.110 4.110 4.134 -0.024 18462 5779 1 8 . 1 1 557 557 LYS C C 557 174.300 174.300 175.614 -1.314 18462 5780 1 8 . 1 1 557 557 LYS CA C 557 57.585 57.585 56.712 0.873 18462 5781 1 8 . 1 1 557 557 LYS CB C 557 33.447 33.447 33.059 0.388 18462 5782 1 8 . 1 1 557 557 LYS H H 557 8.043 8.043 7.593 0.450 18462 5783 1 8 . 1 1 558 558 SER N N 558 115.947 115.947 116.059 -0.112 18462 5784 1 8 . 1 1 558 558 SER HA H 558 5.661 5.661 5.337 0.324 18462 5785 1 8 . 1 1 558 558 SER C C 558 174.321 174.321 173.237 1.084 18462 5786 1 8 . 1 1 558 558 SER CA C 558 56.179 56.179 56.974 -0.795 18462 5787 1 8 . 1 1 558 558 SER CB C 558 65.088 65.088 65.847 -0.759 18462 5788 1 8 . 1 1 558 558 SER H H 558 7.864 7.864 8.088 -0.224 18462 5789 1 8 . 1 1 559 559 PHE N N 559 117.815 117.815 119.312 -1.497 18462 5790 1 8 . 1 1 559 559 PHE HA H 559 4.781 4.781 4.773 0.008 18462 5791 1 8 . 1 1 559 559 PHE C C 559 173.632 173.632 175.417 -1.785 18462 5792 1 8 . 1 1 559 559 PHE CA C 559 56.687 56.687 57.135 -0.448 18462 5793 1 8 . 1 1 559 559 PHE CB C 559 44.232 44.232 42.064 2.168 18462 5794 1 8 . 1 1 559 559 PHE H H 559 9.488 9.488 9.104 0.384 18462 5795 1 8 . 1 1 560 560 ILE N N 560 118.092 118.092 119.387 -1.295 18462 5796 1 8 . 1 1 560 560 ILE HA H 560 4.470 4.470 4.331 0.139 18462 5797 1 8 . 1 1 560 560 ILE C C 560 175.986 175.986 175.087 0.899 18462 5798 1 8 . 1 1 560 560 ILE CA C 560 62.040 62.040 62.551 -0.511 18462 5799 1 8 . 1 1 560 560 ILE CB C 560 39.308 39.308 38.387 0.921 18462 5800 1 8 . 1 1 560 560 ILE H H 560 9.306 9.306 8.536 0.770 18462 5801 1 8 . 1 1 561 561 ASN N N 561 114.751 114.751 114.139 0.612 18462 5802 1 8 . 1 1 561 561 ASN HA H 561 4.683 4.683 5.056 -0.373 18462 5803 1 8 . 1 1 561 561 ASN C C 561 175.350 175.350 174.070 1.280 18462 5804 1 8 . 1 1 561 561 ASN CA C 561 50.797 50.797 52.102 -1.305 18462 5805 1 8 . 1 1 561 561 ASN CB C 561 39.777 39.777 39.369 0.408 18462 5806 1 8 . 1 1 561 561 ASN H H 561 7.387 7.387 7.709 -0.322 18462 5807 1 8 . 1 1 562 562 TYR N N 562 118.833 118.833 121.073 -2.240 18462 5808 1 8 . 1 1 562 562 TYR C C 562 172.730 172.730 176.715 -3.985 18462 5809 1 8 . 1 1 562 562 TYR CA C 562 59.907 59.907 61.706 -1.798 18462 5810 1 8 . 1 1 562 562 TYR CB C 562 38.480 38.480 38.364 0.116 18462 5811 1 8 . 1 1 562 562 TYR H H 562 8.243 8.243 8.610 -0.367 18462 5812 1 8 . 1 1 563 563 GLN N N 563 119.525 119.525 118.544 0.981 18462 5813 1 8 . 1 1 563 563 GLN HA H 563 3.720 3.720 3.953 -0.233 18462 5814 1 8 . 1 1 563 563 GLN C C 563 176.326 176.326 178.243 -1.917 18462 5815 1 8 . 1 1 563 563 GLN CA C 563 61.102 61.102 59.684 1.418 18462 5816 1 8 . 1 1 563 563 GLN CB C 563 25.450 25.450 27.761 -2.311 18462 5817 1 8 . 1 1 563 563 GLN H H 563 8.524 8.524 8.354 0.170 18462 5818 1 8 . 1 1 564 564 PHE N N 564 118.625 118.625 119.749 -1.124 18462 5819 1 8 . 1 1 564 564 PHE HA H 564 4.427 4.427 4.112 0.315 18462 5820 1 8 . 1 1 564 564 PHE C C 564 179.429 179.429 177.647 1.782 18462 5821 1 8 . 1 1 564 564 PHE CA C 564 59.461 59.461 61.024 -1.563 18462 5822 1 8 . 1 1 564 564 PHE CB C 564 38.488 38.488 38.596 -0.108 18462 5823 1 8 . 1 1 564 564 PHE H H 564 8.904 8.904 9.002 -0.098 18462 5824 1 8 . 1 1 565 565 MET N N 565 120.996 120.996 120.257 0.739 18462 5825 1 8 . 1 1 565 565 MET HA H 565 3.720 3.720 3.021 0.699 18462 5826 1 8 . 1 1 565 565 MET C C 565 178.642 178.642 177.611 1.031 18462 5827 1 8 . 1 1 565 565 MET CA C 565 58.037 58.037 59.337 -1.300 18462 5828 1 8 . 1 1 565 565 MET H H 565 7.153 7.153 7.812 -0.659 18462 5829 1 8 . 1 1 566 566 SER N N 566 115.706 115.706 114.460 1.246 18462 5830 1 8 . 1 1 566 566 SER HA H 566 3.720 3.720 3.758 -0.038 18462 5831 1 8 . 1 1 566 566 SER C C 566 176.710 176.710 176.356 0.354 18462 5832 1 8 . 1 1 566 566 SER CA C 566 60.633 60.633 61.283 -0.650 18462 5833 1 8 . 1 1 566 566 SER CB C 566 62.040 62.040 62.770 -0.730 18462 5834 1 8 . 1 1 566 566 SER H H 566 8.918 8.918 8.103 0.815 18462 5835 1 8 . 1 1 567 567 SER N N 567 114.335 114.335 117.264 -2.929 18462 5836 1 8 . 1 1 567 567 SER HA H 567 4.212 4.212 3.996 0.216 18462 5837 1 8 . 1 1 567 567 SER C C 567 176.849 176.849 176.220 0.629 18462 5838 1 8 . 1 1 567 567 SER CA C 567 60.868 60.868 61.435 -0.567 18462 5839 1 8 . 1 1 567 567 SER CB C 567 61.806 61.806 63.114 -1.308 18462 5840 1 8 . 1 1 567 567 SER H H 567 7.933 7.933 7.846 0.087 18462 5841 1 8 . 1 1 568 568 HIS N N 568 120.659 120.659 121.716 -1.057 18462 5842 1 8 . 1 1 568 568 HIS HA H 568 4.327 4.327 4.213 0.114 18462 5843 1 8 . 1 1 568 568 HIS C C 568 177.652 177.652 177.224 0.428 18462 5844 1 8 . 1 1 568 568 HIS CA C 568 58.992 58.992 59.436 -0.444 18462 5845 1 8 . 1 1 568 568 HIS CB C 568 27.234 27.234 29.275 -2.041 18462 5846 1 8 . 1 1 568 568 HIS H H 568 7.594 7.594 7.980 -0.386 18462 5847 1 8 . 1 1 569 569 ILE N N 569 120.858 120.858 120.107 0.751 18462 5848 1 8 . 1 1 569 569 ILE HA H 569 3.562 3.562 3.512 0.050 18462 5849 1 8 . 1 1 569 569 ILE C C 569 175.925 175.925 178.366 -2.441 18462 5850 1 8 . 1 1 569 569 ILE CA C 569 66.729 66.729 65.262 1.467 18462 5851 1 8 . 1 1 569 569 ILE CB C 569 37.198 37.198 37.780 -0.582 18462 5852 1 8 . 1 1 569 569 ILE H H 569 8.640 8.640 8.101 0.539 18462 5853 1 8 . 1 1 570 570 LYS N N 570 118.876 118.876 120.334 -1.458 18462 5854 1 8 . 1 1 570 570 LYS HA H 570 4.329 4.329 4.167 0.162 18462 5855 1 8 . 1 1 570 570 LYS C C 570 178.927 178.927 179.270 -0.343 18462 5856 1 8 . 1 1 570 570 LYS CA C 570 59.461 59.461 59.595 -0.134 18462 5857 1 8 . 1 1 570 570 LYS CB C 570 32.743 32.743 32.455 0.289 18462 5858 1 8 . 1 1 570 570 LYS H H 570 8.463 8.463 8.196 0.267 18462 5859 1 8 . 1 1 571 571 SER N N 571 112.612 112.612 114.753 -2.141 18462 5860 1 8 . 1 1 571 571 SER HA H 571 4.323 4.323 4.187 0.136 18462 5861 1 8 . 1 1 571 571 SER C C 571 179.258 179.258 176.195 3.063 18462 5862 1 8 . 1 1 571 571 SER CA C 571 59.930 59.930 61.590 -1.660 18462 5863 1 8 . 1 1 571 571 SER CB C 571 62.978 62.978 63.257 -0.279 18462 5864 1 8 . 1 1 571 571 SER H H 571 7.997 7.997 8.081 -0.084 18462 5865 1 8 . 1 1 572 572 VAL N N 572 120.208 120.208 119.599 0.609 18462 5866 1 8 . 1 1 572 572 VAL HA H 572 3.789 3.789 3.757 0.032 18462 5867 1 8 . 1 1 572 572 VAL C C 572 176.245 176.245 177.006 -0.761 18462 5868 1 8 . 1 1 572 572 VAL CA C 572 63.916 63.916 64.436 -0.520 18462 5869 1 8 . 1 1 572 572 VAL CB C 572 31.337 31.337 31.763 -0.426 18462 5870 1 8 . 1 1 572 572 VAL H H 572 8.615 8.615 7.943 0.672 18462 5871 1 8 . 1 1 573 573 HIS N N 573 113.735 113.735 115.966 -2.231 18462 5872 1 8 . 1 1 573 573 HIS HA H 573 5.102 5.102 4.758 0.344 18462 5873 1 8 . 1 1 573 573 HIS C C 573 177.042 177.042 175.150 1.892 18462 5874 1 8 . 1 1 573 573 HIS CA C 573 53.376 53.376 55.394 -2.018 18462 5875 1 8 . 1 1 573 573 HIS CB C 573 28.210 28.210 30.348 -2.138 18462 5876 1 8 . 1 1 573 573 HIS H H 573 7.067 7.067 7.423 -0.356 18462 5877 1 8 . 1 1 574 574 SER N N 574 112.537 112.537 112.984 -0.447 18462 5878 1 8 . 1 1 574 574 SER HA H 574 4.421 4.421 4.264 0.157 18462 5879 1 8 . 1 1 574 574 SER C C 574 174.525 174.525 173.754 0.771 18462 5880 1 8 . 1 1 574 574 SER CA C 574 58.054 58.054 59.391 -1.337 18462 5881 1 8 . 1 1 574 574 SER CB C 574 61.102 61.102 61.584 -0.482 18462 5882 1 8 . 1 1 574 574 SER H H 574 7.325 7.325 8.076 -0.751 18462 5883 1 8 . 1 1 575 575 GLN N N 575 117.032 117.032 117.522 -0.490 18462 5884 1 8 . 1 1 575 575 GLN HA H 575 4.659 4.659 4.555 0.104 18462 5885 1 8 . 1 1 575 575 GLN C C 575 173.993 173.993 173.555 0.438 18462 5886 1 8 . 1 1 575 575 GLN CA C 575 53.376 53.376 54.148 -0.771 18462 5887 1 8 . 1 1 575 575 GLN CB C 575 32.743 32.743 33.297 -0.554 18462 5888 1 8 . 1 1 575 575 GLN H H 575 7.480 7.480 7.339 0.141 18462 5889 1 8 . 1 1 576 576 ASP N N 576 118.953 118.953 120.674 -1.721 18462 5890 1 8 . 1 1 576 576 ASP HA H 576 4.992 4.992 5.010 -0.018 18462 5891 1 8 . 1 1 576 576 ASP C C 576 173.387 173.387 176.276 -2.889 18462 5892 1 8 . 1 1 576 576 ASP CA C 576 50.094 50.094 49.918 0.176 18462 5893 1 8 . 1 1 576 576 ASP CB C 576 41.301 41.301 42.188 -0.887 18462 5894 1 8 . 1 1 576 576 ASP H H 576 8.173 8.173 8.774 -0.601 18462 5895 1 8 . 1 1 577 577 PRO HA H 577 4.629 4.629 4.401 0.228 18462 5896 1 8 . 1 1 577 577 PRO CA C 577 63.212 63.212 64.443 -1.231 18462 5897 1 8 . 1 1 577 577 PRO CB C 577 31.806 31.806 32.221 -0.415 18462 5898 1 8 . 1 1 578 578 SER N N 578 114.986 114.986 113.331 1.655 18462 5899 1 8 . 1 1 578 578 SER HA H 578 4.820 4.820 4.429 0.391 18462 5900 1 8 . 1 1 578 578 SER C C 578 176.301 176.301 175.630 0.671 18462 5901 1 8 . 1 1 578 578 SER CA C 578 58.054 58.054 59.189 -1.135 18462 5902 1 8 . 1 1 578 578 SER CB C 578 63.447 63.447 63.356 0.091 18462 5903 1 8 . 1 1 578 578 SER H H 578 8.387 8.387 8.478 -0.091 18462 5904 1 8 . 1 1 579 579 GLY N N 579 111.279 111.279 109.068 2.211 18462 5905 1 8 . 1 1 579 579 GLY C C 579 175.262 175.262 173.301 1.961 18462 5906 1 8 . 1 1 579 579 GLY CA C 579 44.935 44.935 44.469 0.466 18462 5907 1 8 . 1 1 579 579 GLY H H 579 8.554 8.554 7.491 1.063 18462 5908 1 8 . 1 1 580 580 ASP N N 580 121.402 121.402 118.918 2.484 18462 5909 1 8 . 1 1 580 580 ASP HA H 580 4.700 4.700 4.694 0.006 18462 5910 1 8 . 1 1 580 580 ASP C C 580 174.329 174.329 175.488 -1.159 18462 5911 1 8 . 1 1 580 580 ASP CA C 580 53.845 53.845 54.521 -0.676 18462 5912 1 8 . 1 1 580 580 ASP CB C 580 40.012 40.012 39.380 0.632 18462 5913 1 8 . 1 1 580 580 ASP H H 580 8.386 8.386 8.337 0.049 18462 5914 1 8 . 1 1 581 581 SER N N 581 115.668 115.668 118.752 -3.084 18462 5915 1 8 . 1 1 581 581 SER HA H 581 4.421 4.421 4.464 -0.043 18462 5916 1 8 . 1 1 581 581 SER C C 581 176.108 176.108 173.372 2.736 18462 5917 1 8 . 1 1 581 581 SER CA C 581 58.054 58.054 58.296 -0.242 18462 5918 1 8 . 1 1 581 581 SER CB C 581 63.212 63.212 64.819 -1.607 18462 5919 1 8 . 1 1 581 581 SER H H 581 8.015 8.015 8.002 0.013 18462 5920 1 8 . 1 1 582 582 LYS N N 582 120.544 120.544 120.477 0.067 18462 5921 1 8 . 1 1 582 582 LYS HA H 582 4.329 4.329 4.151 0.178 18462 5922 1 8 . 1 1 582 582 LYS C C 582 174.302 174.302 175.352 -1.050 18462 5923 1 8 . 1 1 582 582 LYS CA C 582 55.944 55.944 57.118 -1.174 18462 5924 1 8 . 1 1 582 582 LYS CB C 582 30.868 30.868 31.011 -0.143 18462 5925 1 8 . 1 1 582 582 LYS H H 582 8.453 8.453 8.465 -0.012 18462 5926 1 8 . 1 1 583 583 LEU N N 583 119.514 119.514 119.692 -0.178 18462 5927 1 8 . 1 1 583 583 LEU HA H 583 4.458 4.458 4.447 0.011 18462 5928 1 8 . 1 1 583 583 LEU C C 583 176.924 176.924 174.839 2.085 18462 5929 1 8 . 1 1 583 583 LEU CA C 583 54.303 54.303 54.477 -0.174 18462 5930 1 8 . 1 1 583 583 LEU CB C 583 43.060 43.060 42.123 0.937 18462 5931 1 8 . 1 1 583 583 LEU H H 583 8.391 8.391 8.171 0.220 18462 5932 1 8 . 1 1 584 584 TYR N N 584 115.291 115.291 115.930 -0.639 18462 5933 1 8 . 1 1 584 584 TYR HA H 584 5.714 5.714 5.524 0.190 18462 5934 1 8 . 1 1 584 584 TYR C C 584 175.675 175.675 173.544 2.131 18462 5935 1 8 . 1 1 584 584 TYR CA C 584 54.303 54.303 55.376 -1.073 18462 5936 1 8 . 1 1 584 584 TYR CB C 584 42.420 42.420 42.178 0.242 18462 5937 1 8 . 1 1 584 584 TYR H H 584 7.625 7.625 7.281 0.344 18462 5938 1 8 . 1 1 585 585 ARG N N 585 120.321 120.321 121.280 -0.959 18462 5939 1 8 . 1 1 585 585 ARG HA H 585 4.407 4.407 4.569 -0.162 18462 5940 1 8 . 1 1 585 585 ARG C C 585 172.342 172.342 173.976 -1.634 18462 5941 1 8 . 1 1 585 585 ARG CA C 585 53.376 53.376 54.420 -1.044 18462 5942 1 8 . 1 1 585 585 ARG CB C 585 33.916 33.916 34.805 -0.889 18462 5943 1 8 . 1 1 585 585 ARG H H 585 9.141 9.141 9.038 0.103 18462 5944 1 8 . 1 1 586 586 LEU N N 586 129.013 129.013 127.873 1.140 18462 5945 1 8 . 1 1 586 586 LEU HA H 586 4.768 4.768 4.890 -0.122 18462 5946 1 8 . 1 1 586 586 LEU C C 586 173.449 173.449 175.505 -2.056 18462 5947 1 8 . 1 1 586 586 LEU CA C 586 52.438 52.438 54.080 -1.642 18462 5948 1 8 . 1 1 586 586 LEU CB C 586 41.653 41.653 42.815 -1.162 18462 5949 1 8 . 1 1 586 586 LEU H H 586 8.581 8.581 8.613 -0.032 18462 5950 1 8 . 1 1 587 587 HIS N N 587 127.447 127.447 126.051 1.396 18462 5951 1 8 . 1 1 587 587 HIS HA H 587 4.650 4.650 4.927 -0.277 18462 5952 1 8 . 1 1 587 587 HIS C C 587 175.512 175.512 173.659 1.853 18462 5953 1 8 . 1 1 587 587 HIS CA C 587 55.544 55.544 53.709 1.835 18462 5954 1 8 . 1 1 587 587 HIS CB C 587 29.930 29.930 30.419 -0.489 18462 5955 1 8 . 1 1 587 587 HIS H H 587 9.132 9.132 8.939 0.193 18462 5956 1 8 . 1 1 588 588 PRO HA H 588 4.441 4.441 4.437 0.004 18462 5957 1 8 . 1 1 588 588 PRO CA C 588 62.509 62.509 63.649 -1.140 18462 5958 1 8 . 1 1 588 588 PRO CB C 588 31.688 31.688 32.313 -0.625 18462 5959 1 8 . 1 1 589 589 CYS N N 589 124.057 124.057 123.515 0.542 18462 5960 1 8 . 1 1 589 589 CYS HA H 589 4.275 4.275 4.606 -0.331 18462 5961 1 8 . 1 1 589 589 CYS C C 589 174.401 174.401 175.115 -0.714 18462 5962 1 8 . 1 1 589 589 CYS CA C 589 58.289 58.289 58.013 0.276 18462 5963 1 8 . 1 1 589 589 CYS CB C 589 26.413 26.413 28.694 -2.281 18462 5964 1 8 . 1 1 589 589 CYS H H 589 9.475 9.475 8.782 0.693 18462 5965 1 8 . 1 1 590 590 ARG N N 590 130.942 130.942 127.793 3.149 18462 5966 1 8 . 1 1 590 590 ARG HA H 590 4.689 4.689 4.547 0.142 18462 5967 1 8 . 1 1 590 590 ARG C C 590 175.091 175.091 177.222 -2.131 18462 5968 1 8 . 1 1 590 590 ARG CA C 590 55.241 55.241 55.984 -0.743 18462 5969 1 8 . 1 1 590 590 ARG CB C 590 30.633 30.633 31.069 -0.436 18462 5970 1 8 . 1 1 590 590 ARG H H 590 7.227 7.227 8.791 -1.564 18462 5971 1 8 . 1 1 591 591 SER N N 591 117.243 117.243 116.411 0.832 18462 5972 1 8 . 1 1 591 591 SER HA H 591 4.342 4.342 4.343 -0.001 18462 5973 1 8 . 1 1 591 591 SER C C 591 178.367 178.367 174.513 3.854 18462 5974 1 8 . 1 1 591 591 SER CA C 591 59.695 59.695 61.221 -1.526 18462 5975 1 8 . 1 1 591 591 SER CB C 591 61.923 61.923 64.162 -2.239 18462 5976 1 8 . 1 1 591 591 SER H H 591 9.571 9.571 8.900 0.671 18462 5977 1 8 . 1 1 592 592 LEU N N 592 121.308 121.308 117.504 3.804 18462 5978 1 8 . 1 1 592 592 LEU HA H 592 4.778 4.778 4.702 0.076 18462 5979 1 8 . 1 1 592 592 LEU C C 592 173.260 173.260 175.683 -2.423 18462 5980 1 8 . 1 1 592 592 LEU CA C 592 52.846 52.846 53.980 -1.133 18462 5981 1 8 . 1 1 592 592 LEU CB C 592 45.404 45.404 43.443 1.961 18462 5982 1 8 . 1 1 592 592 LEU H H 592 7.369 7.369 7.336 0.033 18462 5983 1 8 . 1 1 593 593 GLN N N 593 122.109 122.109 120.486 1.623 18462 5984 1 8 . 1 1 593 593 GLN HA H 593 4.564 4.564 4.495 0.069 18462 5985 1 8 . 1 1 593 593 GLN C C 593 175.827 175.827 175.449 0.378 18462 5986 1 8 . 1 1 593 593 GLN CA C 593 54.303 54.303 56.168 -1.865 18462 5987 1 8 . 1 1 593 593 GLN CB C 593 26.882 26.882 27.977 -1.095 18462 5988 1 8 . 1 1 593 593 GLN H H 593 8.599 8.599 8.566 0.033 18462 5989 1 8 . 1 1 594 594 ILE N N 594 118.085 118.085 118.964 -0.879 18462 5990 1 8 . 1 1 594 594 ILE HA H 594 4.755 4.755 4.559 0.196 18462 5991 1 8 . 1 1 594 594 ILE C C 594 175.093 175.093 174.295 0.798 18462 5992 1 8 . 1 1 594 594 ILE CA C 594 58.831 58.831 58.913 -0.083 18462 5993 1 8 . 1 1 594 594 ILE CB C 594 42.591 42.591 40.564 2.027 18462 5994 1 8 . 1 1 594 594 ILE H H 594 7.635 7.635 7.976 -0.341 18462 5995 1 8 . 1 1 595 595 ARG N N 595 123.800 123.800 121.926 1.874 18462 5996 1 8 . 1 1 595 595 ARG HA H 595 4.038 4.038 4.306 -0.268 18462 5997 1 8 . 1 1 595 595 ARG C C 595 175.440 175.440 175.307 0.133 18462 5998 1 8 . 1 1 595 595 ARG CA C 595 56.386 56.386 56.290 0.096 18462 5999 1 8 . 1 1 595 595 ARG CB C 595 30.516 30.516 30.548 -0.032 18462 6000 1 8 . 1 1 595 595 ARG H H 595 9.075 9.075 8.318 0.757 18462 6001 1 8 . 1 1 596 596 GLN N N 596 124.290 124.290 121.440 2.850 18462 6002 1 8 . 1 1 596 596 GLN HA H 596 4.420 4.420 4.349 0.071 18462 6003 1 8 . 1 1 596 596 GLN C C 596 174.630 174.630 174.827 -0.197 18462 6004 1 8 . 1 1 596 596 GLN CA C 596 52.907 52.907 54.481 -1.574 18462 6005 1 8 . 1 1 596 596 GLN CB C 596 30.164 30.164 30.539 -0.375 18462 6006 1 8 . 1 1 596 596 GLN H H 596 8.495 8.495 8.370 0.125 18462 6007 1 8 . 1 1 597 597 TYR N N 597 121.829 121.829 121.664 0.165 18462 6008 1 8 . 1 1 597 597 TYR HA H 597 4.767 4.767 4.170 0.597 18462 6009 1 8 . 1 1 597 597 TYR C C 597 175.453 175.453 177.087 -1.634 18462 6010 1 8 . 1 1 597 597 TYR CA C 597 57.467 57.467 57.944 -0.478 18462 6011 1 8 . 1 1 597 597 TYR CB C 597 38.839 38.839 38.470 0.369 18462 6012 1 8 . 1 1 597 597 TYR H H 597 7.966 7.966 8.376 -0.410 18462 6013 1 8 . 1 1 598 598 ALA N N 598 129.272 129.272 124.413 4.859 18462 6014 1 8 . 1 1 598 598 ALA HA H 598 4.191 4.191 4.094 0.097 18462 6015 1 8 . 1 1 598 598 ALA C C 598 177.425 177.425 176.793 0.632 18462 6016 1 8 . 1 1 598 598 ALA CA C 598 54.040 54.040 54.053 -0.013 18462 6017 1 8 . 1 1 598 598 ALA CB C 598 17.749 17.749 18.426 -0.677 18462 6018 1 8 . 1 1 598 598 ALA H H 598 9.540 9.540 8.796 0.744 18462 6019 1 8 . 1 1 599 599 TYR N N 599 115.845 115.845 111.785 4.060 18462 6020 1 8 . 1 1 599 599 TYR HA H 599 4.560 4.560 4.528 0.032 18462 6021 1 8 . 1 1 599 599 TYR C C 599 173.276 173.276 175.953 -2.677 18462 6022 1 8 . 1 1 599 599 TYR CA C 599 58.172 58.172 58.371 -0.199 18462 6023 1 8 . 1 1 599 599 TYR CB C 599 36.432 36.432 37.937 -1.505 18462 6024 1 8 . 1 1 599 599 TYR H H 599 8.496 8.496 7.610 0.886 18462 6025 1 8 . 1 1 600 600 LEU N N 600 120.764 120.764 119.666 1.098 18462 6026 1 8 . 1 1 600 600 LEU HA H 600 4.260 4.260 4.418 -0.158 18462 6027 1 8 . 1 1 600 600 LEU C C 600 176.164 176.164 178.070 -1.906 18462 6028 1 8 . 1 1 600 600 LEU CA C 600 54.303 54.303 55.302 -0.999 18462 6029 1 8 . 1 1 600 600 LEU CB C 600 41.419 41.419 41.273 0.146 18462 6030 1 8 . 1 1 600 600 LEU H H 600 7.299 7.299 7.590 -0.291 18462 6031 1 8 . 1 1 601 601 SER N N 601 114.419 114.419 112.599 1.820 18462 6032 1 8 . 1 1 601 601 SER HA H 601 4.418 4.418 4.410 0.008 18462 6033 1 8 . 1 1 601 601 SER C C 601 177.754 177.754 174.292 3.462 18462 6034 1 8 . 1 1 601 601 SER CA C 601 58.054 58.054 59.114 -1.060 18462 6035 1 8 . 1 1 601 601 SER CB C 601 63.212 63.212 63.510 -0.298 18462 6036 1 8 . 1 1 601 601 SER H H 601 7.896 7.896 7.512 0.384 18462 6037 1 8 . 1 1 602 602 ASP N N 602 122.293 122.293 121.885 0.408 18462 6038 1 8 . 1 1 602 602 ASP HA H 602 4.651 4.651 4.588 0.063 18462 6039 1 8 . 1 1 602 602 ASP C C 602 174.087 174.087 176.577 -2.490 18462 6040 1 8 . 1 1 602 602 ASP CA C 602 53.845 53.845 54.593 -0.747 18462 6041 1 8 . 1 1 602 602 ASP CB C 602 40.481 40.481 41.961 -1.480 18462 6042 1 8 . 1 1 602 602 ASP H H 602 8.257 8.257 7.603 0.654 18462 6043 1 8 . 1 1 603 603 ARG N N 603 121.398 121.398 123.588 -2.190 18462 6044 1 8 . 1 1 603 603 ARG HA H 603 4.454 4.454 4.225 0.229 18462 6045 1 8 . 1 1 603 603 ARG C C 603 176.111 176.111 176.119 -0.008 18462 6046 1 8 . 1 1 603 603 ARG CA C 603 55.241 55.241 56.711 -1.470 18462 6047 1 8 . 1 1 603 603 ARG CB C 603 30.164 30.164 30.431 -0.268 18462 6048 1 8 . 1 1 603 603 ARG H H 603 8.234 8.234 8.502 -0.268 18462 6049 1 9 . 1 1 473 473 ASN HA H 473 4.815 4.815 4.970 -0.155 18462 6050 1 9 . 1 1 473 473 ASN CA C 473 52.204 52.204 52.602 -0.398 18462 6051 1 9 . 1 1 473 473 ASN CB C 473 38.371 38.371 40.312 -1.940 18462 6052 1 9 . 1 1 474 474 LYS N N 474 122.150 122.150 119.862 2.288 18462 6053 1 9 . 1 1 474 474 LYS HA H 474 4.375 4.375 4.446 -0.071 18462 6054 1 9 . 1 1 474 474 LYS C C 474 174.965 174.965 176.187 -1.222 18462 6055 1 9 . 1 1 474 474 LYS CA C 474 55.944 55.944 56.136 -0.192 18462 6056 1 9 . 1 1 474 474 LYS CB C 474 32.405 32.405 33.276 -0.872 18462 6057 1 9 . 1 1 474 474 LYS H H 474 8.586 8.586 8.453 0.133 18462 6058 1 9 . 1 1 475 475 ARG N N 475 122.278 122.278 121.680 0.598 18462 6059 1 9 . 1 1 475 475 ARG HA H 475 4.374 4.374 4.486 -0.112 18462 6060 1 9 . 1 1 475 475 ARG C C 475 176.695 176.695 174.850 1.845 18462 6061 1 9 . 1 1 475 475 ARG CA C 475 55.944 55.944 55.828 0.116 18462 6062 1 9 . 1 1 475 475 ARG CB C 475 30.164 30.164 31.934 -1.770 18462 6063 1 9 . 1 1 475 475 ARG H H 475 8.662 8.662 8.553 0.109 18462 6064 1 9 . 1 1 476 476 MET N N 476 122.046 122.046 124.522 -2.476 18462 6065 1 9 . 1 1 476 476 MET HA H 476 4.496 4.496 4.740 -0.244 18462 6066 1 9 . 1 1 476 476 MET C C 476 176.359 176.359 175.266 1.093 18462 6067 1 9 . 1 1 476 476 MET CA C 476 54.537 54.537 55.547 -1.010 18462 6068 1 9 . 1 1 476 476 MET CB C 476 32.509 32.509 33.886 -1.377 18462 6069 1 9 . 1 1 476 476 MET H H 476 8.490 8.490 8.506 -0.016 18462 6070 1 9 . 1 1 477 477 LYS N N 477 123.768 123.768 122.877 0.891 18462 6071 1 9 . 1 1 477 477 LYS HA H 477 4.384 4.384 4.549 -0.165 18462 6072 1 9 . 1 1 477 477 LYS C C 477 176.015 176.015 175.411 0.604 18462 6073 1 9 . 1 1 477 477 LYS CA C 477 55.834 55.834 56.242 -0.409 18462 6074 1 9 . 1 1 477 477 LYS CB C 477 32.107 32.107 31.994 0.113 18462 6075 1 9 . 1 1 477 477 LYS H H 477 8.472 8.472 8.429 0.043 18462 6076 1 9 . 1 1 478 478 VAL N N 478 122.460 122.460 116.623 5.837 18462 6077 1 9 . 1 1 478 478 VAL HA H 478 4.054 4.054 4.354 -0.300 18462 6078 1 9 . 1 1 478 478 VAL C C 478 176.320 176.320 175.129 1.191 18462 6079 1 9 . 1 1 478 478 VAL CA C 478 61.337 61.337 59.774 1.563 18462 6080 1 9 . 1 1 478 478 VAL CB C 478 32.275 32.275 34.269 -1.994 18462 6081 1 9 . 1 1 478 478 VAL H H 478 8.230 8.230 7.505 0.725 18462 6082 1 9 . 1 1 479 479 LYS N N 479 126.119 126.119 122.156 3.963 18462 6083 1 9 . 1 1 479 479 LYS HA H 479 4.365 4.365 4.370 -0.005 18462 6084 1 9 . 1 1 479 479 LYS C C 479 175.605 175.605 176.022 -0.417 18462 6085 1 9 . 1 1 479 479 LYS CA C 479 55.006 55.006 55.378 -0.372 18462 6086 1 9 . 1 1 479 479 LYS CB C 479 32.098 32.098 33.041 -0.943 18462 6087 1 9 . 1 1 479 479 LYS H H 479 8.453 8.453 8.114 0.339 18462 6088 1 9 . 1 1 480 480 HIS N N 480 121.065 121.065 119.661 1.404 18462 6089 1 9 . 1 1 480 480 HIS HA H 480 4.713 4.713 4.808 -0.095 18462 6090 1 9 . 1 1 480 480 HIS C C 480 175.937 175.937 174.973 0.964 18462 6091 1 9 . 1 1 480 480 HIS CA C 480 54.537 54.537 55.494 -0.957 18462 6092 1 9 . 1 1 480 480 HIS CB C 480 30.047 30.047 32.977 -2.930 18462 6093 1 9 . 1 1 480 480 HIS H H 480 8.559 8.559 8.517 0.042 18462 6094 1 9 . 1 1 481 481 ASP HA H 481 4.392 4.392 4.549 -0.157 18462 6095 1 9 . 1 1 481 481 ASP C C 481 174.413 174.413 176.053 -1.640 18462 6096 1 9 . 1 1 481 481 ASP CA C 481 52.907 52.907 53.850 -0.943 18462 6097 1 9 . 1 1 481 481 ASP CB C 481 39.543 39.543 40.566 -1.024 18462 6098 1 9 . 1 1 482 482 ASP N N 482 118.362 118.362 117.834 0.528 18462 6099 1 9 . 1 1 482 482 ASP HA H 482 4.710 4.710 4.334 0.376 18462 6100 1 9 . 1 1 482 482 ASP C C 482 175.104 175.104 175.174 -0.070 18462 6101 1 9 . 1 1 482 482 ASP CA C 482 53.376 53.376 54.045 -0.669 18462 6102 1 9 . 1 1 482 482 ASP CB C 482 39.308 39.308 39.433 -0.125 18462 6103 1 9 . 1 1 482 482 ASP H H 482 8.216 8.216 8.472 -0.256 18462 6104 1 9 . 1 1 483 483 HIS N N 483 113.578 113.578 112.907 0.671 18462 6105 1 9 . 1 1 483 483 HIS HA H 483 5.886 5.886 5.338 0.548 18462 6106 1 9 . 1 1 483 483 HIS C C 483 175.274 175.274 172.819 2.455 18462 6107 1 9 . 1 1 483 483 HIS CA C 483 55.241 55.241 55.318 -0.077 18462 6108 1 9 . 1 1 483 483 HIS CB C 483 32.040 32.040 31.488 0.552 18462 6109 1 9 . 1 1 483 483 HIS H H 483 7.692 7.692 7.089 0.603 18462 6110 1 9 . 1 1 484 484 TYR N N 484 116.271 116.271 114.505 1.766 18462 6111 1 9 . 1 1 484 484 TYR HA H 484 5.003 5.003 4.925 0.078 18462 6112 1 9 . 1 1 484 484 TYR C C 484 180.038 180.038 173.706 6.332 18462 6113 1 9 . 1 1 484 484 TYR CA C 484 55.241 55.241 56.367 -1.126 18462 6114 1 9 . 1 1 484 484 TYR CB C 484 39.777 39.777 40.475 -0.698 18462 6115 1 9 . 1 1 484 484 TYR H H 484 8.493 8.493 8.768 -0.275 18462 6116 1 9 . 1 1 485 485 GLU N N 485 120.840 120.840 122.110 -1.270 18462 6117 1 9 . 1 1 485 485 GLU HA H 485 5.301 5.301 5.320 -0.019 18462 6118 1 9 . 1 1 485 485 GLU C C 485 174.101 174.101 175.670 -1.569 18462 6119 1 9 . 1 1 485 485 GLU CA C 485 54.772 54.772 55.529 -0.757 18462 6120 1 9 . 1 1 485 485 GLU CB C 485 31.337 31.337 31.718 -0.381 18462 6121 1 9 . 1 1 485 485 GLU H H 485 8.873 8.873 8.736 0.137 18462 6122 1 9 . 1 1 486 486 LEU N N 486 125.807 125.807 127.072 -1.265 18462 6123 1 9 . 1 1 486 486 LEU HA H 486 4.762 4.762 4.840 -0.078 18462 6124 1 9 . 1 1 486 486 LEU C C 486 175.613 175.613 174.873 0.740 18462 6125 1 9 . 1 1 486 486 LEU CA C 486 53.645 53.645 54.304 -0.659 18462 6126 1 9 . 1 1 486 486 LEU CB C 486 45.873 45.873 45.237 0.636 18462 6127 1 9 . 1 1 486 486 LEU H H 486 8.957 8.957 8.936 0.021 18462 6128 1 9 . 1 1 487 487 ILE N N 487 125.332 125.332 127.741 -2.409 18462 6129 1 9 . 1 1 487 487 ILE HA H 487 5.007 5.007 4.455 0.552 18462 6130 1 9 . 1 1 487 487 ILE C C 487 174.543 174.543 175.505 -0.962 18462 6131 1 9 . 1 1 487 487 ILE CA C 487 59.695 59.695 61.405 -1.710 18462 6132 1 9 . 1 1 487 487 ILE CB C 487 37.433 37.433 38.369 -0.936 18462 6133 1 9 . 1 1 487 487 ILE H H 487 8.549 8.549 8.504 0.045 18462 6134 1 9 . 1 1 488 488 VAL N N 488 129.307 129.307 128.536 0.771 18462 6135 1 9 . 1 1 488 488 VAL HA H 488 4.304 4.304 4.129 0.175 18462 6136 1 9 . 1 1 488 488 VAL C C 488 176.678 176.678 174.930 1.748 18462 6137 1 9 . 1 1 488 488 VAL CA C 488 60.868 60.868 60.751 0.117 18462 6138 1 9 . 1 1 488 488 VAL CB C 488 33.681 33.681 34.390 -0.709 18462 6139 1 9 . 1 1 488 488 VAL H H 488 9.456 9.456 8.690 0.766 18462 6140 1 9 . 1 1 489 489 ASP N N 489 128.884 128.884 128.980 -0.096 18462 6141 1 9 . 1 1 489 489 ASP HA H 489 4.301 4.301 4.228 0.073 18462 6142 1 9 . 1 1 489 489 ASP C C 489 176.084 176.084 176.774 -0.690 18462 6143 1 9 . 1 1 489 489 ASP CA C 489 54.537 54.537 54.642 -0.104 18462 6144 1 9 . 1 1 489 489 ASP CB C 489 39.074 39.074 40.272 -1.198 18462 6145 1 9 . 1 1 489 489 ASP H H 489 9.144 9.144 8.888 0.256 18462 6146 1 9 . 1 1 490 490 GLY N N 490 102.410 102.410 104.341 -1.931 18462 6147 1 9 . 1 1 490 490 GLY C C 490 175.998 175.998 174.154 1.844 18462 6148 1 9 . 1 1 490 490 GLY CA C 490 44.818 44.818 45.002 -0.184 18462 6149 1 9 . 1 1 490 490 GLY H H 490 8.210 8.210 8.114 0.096 18462 6150 1 9 . 1 1 491 491 ARG N N 491 122.605 122.605 122.115 0.490 18462 6151 1 9 . 1 1 491 491 ARG HA H 491 4.597 4.597 4.430 0.167 18462 6152 1 9 . 1 1 491 491 ARG C C 491 173.256 173.256 175.152 -1.896 18462 6153 1 9 . 1 1 491 491 ARG CA C 491 53.610 53.610 55.143 -1.533 18462 6154 1 9 . 1 1 491 491 ARG CB C 491 32.040 32.040 31.357 0.683 18462 6155 1 9 . 1 1 491 491 ARG H H 491 7.938 7.938 7.641 0.297 18462 6156 1 9 . 1 1 492 492 VAL N N 492 123.769 123.769 124.169 -0.400 18462 6157 1 9 . 1 1 492 492 VAL HA H 492 4.128 4.128 3.762 0.366 18462 6158 1 9 . 1 1 492 492 VAL C C 492 173.470 173.470 175.298 -1.828 18462 6159 1 9 . 1 1 492 492 VAL CA C 492 62.210 62.210 62.818 -0.608 18462 6160 1 9 . 1 1 492 492 VAL CB C 492 32.040 32.040 31.856 0.184 18462 6161 1 9 . 1 1 492 492 VAL H H 492 8.157 8.157 8.455 -0.298 18462 6162 1 9 . 1 1 493 493 TYR N N 493 124.842 124.842 126.470 -1.628 18462 6163 1 9 . 1 1 493 493 TYR HA H 493 4.632 4.632 4.712 -0.080 18462 6164 1 9 . 1 1 493 493 TYR C C 493 174.288 174.288 175.059 -0.771 18462 6165 1 9 . 1 1 493 493 TYR CA C 493 56.308 56.308 53.689 2.619 18462 6166 1 9 . 1 1 493 493 TYR CB C 493 40.481 40.481 40.654 -0.173 18462 6167 1 9 . 1 1 493 493 TYR H H 493 8.981 8.981 8.638 0.343 18462 6168 1 9 . 1 1 494 494 TYR N N 494 120.511 120.511 118.951 1.560 18462 6169 1 9 . 1 1 494 494 TYR HA H 494 4.763 4.763 5.188 -0.425 18462 6170 1 9 . 1 1 494 494 TYR C C 494 173.811 173.811 175.417 -1.606 18462 6171 1 9 . 1 1 494 494 TYR CA C 494 56.764 56.764 56.587 0.177 18462 6172 1 9 . 1 1 494 494 TYR CB C 494 38.722 38.722 39.620 -0.898 18462 6173 1 9 . 1 1 494 494 TYR H H 494 9.235 9.235 9.198 0.037 18462 6174 1 9 . 1 1 495 495 ILE N N 495 124.930 124.930 123.397 1.533 18462 6175 1 9 . 1 1 495 495 ILE HA H 495 4.780 4.780 4.874 -0.094 18462 6176 1 9 . 1 1 495 495 ILE C C 495 174.764 174.764 175.613 -0.849 18462 6177 1 9 . 1 1 495 495 ILE CA C 495 57.714 57.714 59.258 -1.544 18462 6178 1 9 . 1 1 495 495 ILE CB C 495 36.729 36.729 40.069 -3.340 18462 6179 1 9 . 1 1 495 495 ILE H H 495 9.136 9.136 9.188 -0.052 18462 6180 1 9 . 1 1 496 496 CYS N N 496 127.535 127.535 127.915 -0.380 18462 6181 1 9 . 1 1 496 496 CYS HA H 496 4.745 4.745 4.918 -0.173 18462 6182 1 9 . 1 1 496 496 CYS C C 496 176.128 176.128 177.020 -0.892 18462 6183 1 9 . 1 1 496 496 CYS CA C 496 60.574 60.574 58.955 1.619 18462 6184 1 9 . 1 1 496 496 CYS CB C 496 29.227 29.227 28.117 1.110 18462 6185 1 9 . 1 1 496 496 CYS H H 496 9.016 9.016 8.572 0.444 18462 6186 1 9 . 1 1 497 497 ILE N N 497 129.645 129.645 126.444 3.201 18462 6187 1 9 . 1 1 497 497 ILE HA H 497 4.176 4.176 4.202 -0.026 18462 6188 1 9 . 1 1 497 497 ILE C C 497 177.925 177.925 176.858 1.067 18462 6189 1 9 . 1 1 497 497 ILE CA C 497 63.447 63.447 64.509 -1.062 18462 6190 1 9 . 1 1 497 497 ILE CB C 497 39.543 39.543 37.836 1.707 18462 6191 1 9 . 1 1 497 497 ILE H H 497 8.295 8.295 8.413 -0.118 18462 6192 1 9 . 1 1 498 498 VAL N N 498 123.791 123.791 121.799 1.992 18462 6193 1 9 . 1 1 498 498 VAL HA H 498 3.939 3.939 3.754 0.185 18462 6194 1 9 . 1 1 498 498 VAL C C 498 176.127 176.127 177.416 -1.289 18462 6195 1 9 . 1 1 498 498 VAL CA C 498 64.619 64.619 65.517 -0.898 18462 6196 1 9 . 1 1 498 498 VAL CB C 498 32.275 32.275 31.295 0.980 18462 6197 1 9 . 1 1 498 498 VAL H H 498 8.993 8.993 8.271 0.722 18462 6198 1 9 . 1 1 499 499 CYS N N 499 117.267 117.267 111.685 5.582 18462 6199 1 9 . 1 1 499 499 CYS HA H 499 5.157 5.157 4.847 0.310 18462 6200 1 9 . 1 1 499 499 CYS C C 499 177.106 177.106 174.950 2.156 18462 6201 1 9 . 1 1 499 499 CYS CA C 499 57.820 57.820 57.319 0.501 18462 6202 1 9 . 1 1 499 499 CYS CB C 499 31.571 31.571 29.482 2.089 18462 6203 1 9 . 1 1 499 499 CYS H H 499 8.307 8.307 8.026 0.281 18462 6204 1 9 . 1 1 500 500 LYS N N 500 117.950 117.950 119.208 -1.258 18462 6205 1 9 . 1 1 500 500 LYS HA H 500 4.306 4.306 4.064 0.242 18462 6206 1 9 . 1 1 500 500 LYS C C 500 175.869 175.869 175.404 0.465 18462 6207 1 9 . 1 1 500 500 LYS CA C 500 57.585 57.585 57.234 0.351 18462 6208 1 9 . 1 1 500 500 LYS CB C 500 28.289 28.289 29.731 -1.442 18462 6209 1 9 . 1 1 500 500 LYS H H 500 8.169 8.169 8.235 -0.066 18462 6210 1 9 . 1 1 501 501 ARG N N 501 121.270 121.270 119.670 1.600 18462 6211 1 9 . 1 1 501 501 ARG HA H 501 4.090 4.090 4.166 -0.076 18462 6212 1 9 . 1 1 501 501 ARG C C 501 175.587 175.587 175.443 0.144 18462 6213 1 9 . 1 1 501 501 ARG CA C 501 58.289 58.289 55.708 2.581 18462 6214 1 9 . 1 1 501 501 ARG CB C 501 29.694 29.694 31.219 -1.525 18462 6215 1 9 . 1 1 501 501 ARG H H 501 8.071 8.071 7.834 0.237 18462 6216 1 9 . 1 1 502 502 SER N N 502 112.997 112.997 118.231 -5.234 18462 6217 1 9 . 1 1 502 502 SER HA H 502 5.003 5.003 4.615 0.388 18462 6218 1 9 . 1 1 502 502 SER C C 502 174.417 174.417 173.295 1.122 18462 6219 1 9 . 1 1 502 502 SER CA C 502 55.475 55.475 57.320 -1.845 18462 6220 1 9 . 1 1 502 502 SER CB C 502 65.088 65.088 64.003 1.085 18462 6221 1 9 . 1 1 502 502 SER H H 502 7.553 7.553 8.239 -0.686 18462 6222 1 9 . 1 1 503 503 TYR N N 503 121.115 121.115 124.139 -3.024 18462 6223 1 9 . 1 1 503 503 TYR HA H 503 4.996 4.996 4.606 0.390 18462 6224 1 9 . 1 1 503 503 TYR C C 503 173.707 173.707 176.164 -2.457 18462 6225 1 9 . 1 1 503 503 TYR CA C 503 57.585 57.585 57.255 0.330 18462 6226 1 9 . 1 1 503 503 TYR CB C 503 42.244 42.244 41.420 0.824 18462 6227 1 9 . 1 1 503 503 TYR H H 503 8.958 8.958 8.806 0.152 18462 6228 1 9 . 1 1 504 504 VAL N N 504 119.390 119.390 120.479 -1.089 18462 6229 1 9 . 1 1 504 504 VAL HA H 504 4.376 4.376 4.012 0.364 18462 6230 1 9 . 1 1 504 504 VAL C C 504 176.390 176.390 175.766 0.624 18462 6231 1 9 . 1 1 504 504 VAL CA C 504 62.275 62.275 63.853 -1.578 18462 6232 1 9 . 1 1 504 504 VAL CB C 504 33.025 33.025 32.285 0.740 18462 6233 1 9 . 1 1 504 504 VAL H H 504 9.988 9.988 8.685 1.303 18462 6234 1 9 . 1 1 505 505 CYS N N 505 113.800 113.800 116.007 -2.207 18462 6235 1 9 . 1 1 505 505 CYS HA H 505 4.998 4.998 4.795 0.203 18462 6236 1 9 . 1 1 505 505 CYS C C 505 176.603 176.603 175.146 1.457 18462 6237 1 9 . 1 1 505 505 CYS CA C 505 56.647 56.647 57.680 -1.033 18462 6238 1 9 . 1 1 505 505 CYS CB C 505 38.406 38.406 31.429 6.977 18462 6239 1 9 . 1 1 505 505 CYS H H 505 7.518 7.518 7.817 -0.299 18462 6240 1 9 . 1 1 506 506 LEU N N 506 129.535 129.535 124.312 5.223 18462 6241 1 9 . 1 1 506 506 LEU HA H 506 3.325 3.325 3.543 -0.218 18462 6242 1 9 . 1 1 506 506 LEU C C 506 174.727 174.727 177.998 -3.271 18462 6243 1 9 . 1 1 506 506 LEU CA C 506 56.647 56.647 58.128 -1.481 18462 6244 1 9 . 1 1 506 506 LEU CB C 506 39.308 39.308 41.093 -1.785 18462 6245 1 9 . 1 1 506 506 LEU H H 506 8.602 8.602 8.703 -0.101 18462 6246 1 9 . 1 1 507 507 THR N N 507 108.833 108.833 110.640 -1.807 18462 6247 1 9 . 1 1 507 507 THR HA H 507 3.820 3.820 3.868 -0.048 18462 6248 1 9 . 1 1 507 507 THR C C 507 178.905 178.905 176.995 1.910 18462 6249 1 9 . 1 1 507 507 THR CA C 507 64.150 64.150 66.170 -2.020 18462 6250 1 9 . 1 1 507 507 THR CB C 507 66.260 66.260 67.630 -1.370 18462 6251 1 9 . 1 1 507 507 THR H H 507 8.087 8.087 8.276 -0.189 18462 6252 1 9 . 1 1 508 508 SER N N 508 119.009 119.009 118.904 0.105 18462 6253 1 9 . 1 1 508 508 SER HA H 508 4.123 4.123 4.008 0.115 18462 6254 1 9 . 1 1 508 508 SER C C 508 178.467 178.467 176.064 2.403 18462 6255 1 9 . 1 1 508 508 SER CA C 508 59.461 59.461 61.141 -1.680 18462 6256 1 9 . 1 1 508 508 SER CB C 508 62.978 62.978 62.668 0.310 18462 6257 1 9 . 1 1 508 508 SER H H 508 7.230 7.230 7.406 -0.176 18462 6258 1 9 . 1 1 509 509 LEU N N 509 127.365 127.365 123.786 3.579 18462 6259 1 9 . 1 1 509 509 LEU HA H 509 3.216 3.216 3.469 -0.253 18462 6260 1 9 . 1 1 509 509 LEU C C 509 176.740 176.740 177.726 -0.986 18462 6261 1 9 . 1 1 509 509 LEU CA C 509 57.351 57.351 57.959 -0.607 18462 6262 1 9 . 1 1 509 509 LEU CB C 509 39.074 39.074 41.752 -2.678 18462 6263 1 9 . 1 1 509 509 LEU H H 509 7.114 7.114 7.218 -0.104 18462 6264 1 9 . 1 1 510 510 ARG N N 510 119.955 119.955 118.350 1.605 18462 6265 1 9 . 1 1 510 510 ARG HA H 510 3.843 3.843 3.963 -0.120 18462 6266 1 9 . 1 1 510 510 ARG C C 510 178.472 178.472 179.052 -0.580 18462 6267 1 9 . 1 1 510 510 ARG CA C 510 61.766 61.766 58.143 3.623 18462 6268 1 9 . 1 1 510 510 ARG CB C 510 28.992 28.992 29.192 -0.200 18462 6269 1 9 . 1 1 510 510 ARG H H 510 8.100 8.100 8.463 -0.363 18462 6270 1 9 . 1 1 511 511 ARG N N 511 120.947 120.947 118.420 2.527 18462 6271 1 9 . 1 1 511 511 ARG HA H 511 4.078 4.078 3.946 0.132 18462 6272 1 9 . 1 1 511 511 ARG C C 511 178.262 178.262 178.395 -0.133 18462 6273 1 9 . 1 1 511 511 ARG CA C 511 59.054 59.054 58.971 0.083 18462 6274 1 9 . 1 1 511 511 ARG CB C 511 29.695 29.695 29.997 -0.302 18462 6275 1 9 . 1 1 511 511 ARG H H 511 7.802 7.802 7.877 -0.075 18462 6276 1 9 . 1 1 512 512 HIS N N 512 116.820 116.820 118.648 -1.828 18462 6277 1 9 . 1 1 512 512 HIS HA H 512 4.219 4.219 4.247 -0.028 18462 6278 1 9 . 1 1 512 512 HIS C C 512 178.069 178.069 177.137 0.932 18462 6279 1 9 . 1 1 512 512 HIS CA C 512 57.507 57.507 58.731 -1.224 18462 6280 1 9 . 1 1 512 512 HIS CB C 512 27.390 27.390 29.917 -2.527 18462 6281 1 9 . 1 1 512 512 HIS H H 512 7.809 7.809 7.908 -0.099 18462 6282 1 9 . 1 1 513 513 PHE N N 513 118.415 118.415 120.865 -2.450 18462 6283 1 9 . 1 1 513 513 PHE HA H 513 3.620 3.620 3.944 -0.324 18462 6284 1 9 . 1 1 513 513 PHE C C 513 176.026 176.026 176.599 -0.573 18462 6285 1 9 . 1 1 513 513 PHE CA C 513 61.102 61.102 61.605 -0.503 18462 6286 1 9 . 1 1 513 513 PHE CB C 513 38.996 38.996 38.961 0.035 18462 6287 1 9 . 1 1 513 513 PHE H H 513 8.898 8.898 8.828 0.070 18462 6288 1 9 . 1 1 514 514 ASN N N 514 114.080 114.080 118.778 -4.698 18462 6289 1 9 . 1 1 514 514 ASN HA H 514 4.988 4.988 4.337 0.651 18462 6290 1 9 . 1 1 514 514 ASN C C 514 176.236 176.236 177.290 -1.054 18462 6291 1 9 . 1 1 514 514 ASN CA C 514 55.006 55.006 55.766 -0.760 18462 6292 1 9 . 1 1 514 514 ASN CB C 514 40.129 40.129 38.492 1.637 18462 6293 1 9 . 1 1 514 514 ASN H H 514 8.678 8.678 7.715 0.963 18462 6294 1 9 . 1 1 515 515 ILE N N 515 114.035 114.035 118.259 -4.224 18462 6295 1 9 . 1 1 515 515 ILE HA H 515 2.997 2.997 3.233 -0.236 18462 6296 1 9 . 1 1 515 515 ILE C C 515 176.292 176.292 176.030 0.262 18462 6297 1 9 . 1 1 515 515 ILE CA C 515 63.447 63.447 63.552 -0.105 18462 6298 1 9 . 1 1 515 515 ILE CB C 515 37.198 37.198 37.530 -0.332 18462 6299 1 9 . 1 1 515 515 ILE H H 515 7.919 7.919 7.860 0.059 18462 6300 1 9 . 1 1 516 516 HIS N N 516 113.136 113.136 117.653 -4.517 18462 6301 1 9 . 1 1 516 516 HIS HA H 516 4.767 4.767 4.574 0.193 18462 6302 1 9 . 1 1 516 516 HIS C C 516 175.870 175.870 177.176 -1.306 18462 6303 1 9 . 1 1 516 516 HIS CA C 516 54.542 54.542 58.259 -3.717 18462 6304 1 9 . 1 1 516 516 HIS CB C 516 27.585 27.585 30.163 -2.578 18462 6305 1 9 . 1 1 516 516 HIS H H 516 7.170 7.170 7.554 -0.384 18462 6306 1 9 . 1 1 517 517 SER N N 517 112.852 112.852 114.034 -1.182 18462 6307 1 9 . 1 1 517 517 SER HA H 517 4.359 4.359 4.335 0.024 18462 6308 1 9 . 1 1 517 517 SER C C 517 177.067 177.067 175.400 1.667 18462 6309 1 9 . 1 1 517 517 SER CA C 517 58.758 58.758 59.445 -0.687 18462 6310 1 9 . 1 1 517 517 SER CB C 517 63.447 63.447 64.340 -0.893 18462 6311 1 9 . 1 1 517 517 SER H H 517 7.886 7.886 7.888 -0.002 18462 6312 1 9 . 1 1 518 518 TRP N N 518 122.824 122.824 120.185 2.639 18462 6313 1 9 . 1 1 518 518 TRP HA H 518 4.005 4.005 4.427 -0.422 18462 6314 1 9 . 1 1 518 518 TRP C C 518 175.133 175.133 176.439 -1.306 18462 6315 1 9 . 1 1 518 518 TRP CA C 518 57.820 57.820 58.745 -0.925 18462 6316 1 9 . 1 1 518 518 TRP CB C 518 25.710 25.710 26.538 -0.829 18462 6317 1 9 . 1 1 518 518 TRP H H 518 9.274 9.274 7.665 1.609 18462 6318 1 9 . 1 1 519 519 GLU N N 519 119.673 119.673 114.849 4.824 18462 6319 1 9 . 1 1 519 519 GLU HA H 519 4.042 4.042 4.104 -0.062 18462 6320 1 9 . 1 1 519 519 GLU C C 519 175.353 175.353 176.589 -1.236 18462 6321 1 9 . 1 1 519 519 GLU CA C 519 58.758 58.758 58.129 0.629 18462 6322 1 9 . 1 1 519 519 GLU CB C 519 29.695 29.695 30.051 -0.356 18462 6323 1 9 . 1 1 519 519 GLU H H 519 7.828 7.828 7.918 -0.090 18462 6324 1 9 . 1 1 520 520 LYS N N 520 118.358 118.358 119.509 -1.151 18462 6325 1 9 . 1 1 520 520 LYS HA H 520 4.544 4.544 4.391 0.153 18462 6326 1 9 . 1 1 520 520 LYS C C 520 178.036 178.036 174.524 3.512 18462 6327 1 9 . 1 1 520 520 LYS CA C 520 53.845 53.845 54.785 -0.940 18462 6328 1 9 . 1 1 520 520 LYS CB C 520 34.385 34.385 34.186 0.199 18462 6329 1 9 . 1 1 520 520 LYS H H 520 9.085 9.085 7.969 1.116 18462 6330 1 9 . 1 1 521 521 LYS N N 521 118.859 118.859 123.540 -4.681 18462 6331 1 9 . 1 1 521 521 LYS HA H 521 4.658 4.658 4.348 0.310 18462 6332 1 9 . 1 1 521 521 LYS C C 521 175.168 175.168 175.668 -0.500 18462 6333 1 9 . 1 1 521 521 LYS CA C 521 54.537 54.537 55.758 -1.221 18462 6334 1 9 . 1 1 521 521 LYS CB C 521 35.323 35.323 33.894 1.429 18462 6335 1 9 . 1 1 521 521 LYS H H 521 8.238 8.238 8.283 -0.045 18462 6336 1 9 . 1 1 522 522 TYR N N 522 117.305 117.305 121.936 -4.631 18462 6337 1 9 . 1 1 522 522 TYR HA H 522 5.028 5.028 4.937 0.091 18462 6338 1 9 . 1 1 522 522 TYR C C 522 175.016 175.016 173.894 1.122 18462 6339 1 9 . 1 1 522 522 TYR CA C 522 54.537 54.537 54.995 -0.458 18462 6340 1 9 . 1 1 522 522 TYR CB C 522 37.198 37.198 38.420 -1.222 18462 6341 1 9 . 1 1 522 522 TYR H H 522 7.788 7.788 8.557 -0.769 18462 6342 1 9 . 1 1 523 523 PRO HA H 523 5.026 5.026 4.859 0.167 18462 6343 1 9 . 1 1 523 523 PRO CA C 523 61.806 61.806 62.235 -0.429 18462 6344 1 9 . 1 1 523 523 PRO CB C 523 31.839 31.839 32.484 -0.645 18462 6345 1 9 . 1 1 524 524 CYS N N 524 126.569 126.569 124.572 1.997 18462 6346 1 9 . 1 1 524 524 CYS HA H 524 4.739 4.739 4.931 -0.192 18462 6347 1 9 . 1 1 524 524 CYS C C 524 176.841 176.841 176.336 0.505 18462 6348 1 9 . 1 1 524 524 CYS CA C 524 60.290 60.290 58.432 1.858 18462 6349 1 9 . 1 1 524 524 CYS CB C 524 29.344 29.344 29.526 -0.182 18462 6350 1 9 . 1 1 524 524 CYS H H 524 9.210 9.210 8.721 0.489 18462 6351 1 9 . 1 1 525 525 ARG N N 525 130.294 130.294 125.086 5.208 18462 6352 1 9 . 1 1 525 525 ARG HA H 525 4.285 4.285 4.209 0.076 18462 6353 1 9 . 1 1 525 525 ARG C C 525 176.390 176.390 177.642 -1.252 18462 6354 1 9 . 1 1 525 525 ARG CA C 525 58.043 58.043 57.356 0.687 18462 6355 1 9 . 1 1 525 525 ARG CB C 525 27.576 27.576 30.001 -2.425 18462 6356 1 9 . 1 1 525 525 ARG H H 525 9.724 9.724 9.659 0.065 18462 6357 1 9 . 1 1 526 526 TYR N N 526 122.622 122.622 116.239 6.383 18462 6358 1 9 . 1 1 526 526 TYR HA H 526 4.517 4.517 4.335 0.182 18462 6359 1 9 . 1 1 526 526 TYR C C 526 176.659 176.659 176.042 0.617 18462 6360 1 9 . 1 1 526 526 TYR CA C 526 58.054 58.054 58.282 -0.228 18462 6361 1 9 . 1 1 526 526 TYR CB C 526 37.628 37.628 38.084 -0.456 18462 6362 1 9 . 1 1 526 526 TYR H H 526 10.439 10.439 8.498 1.941 18462 6363 1 9 . 1 1 527 527 CYS N N 527 122.873 122.873 115.480 7.393 18462 6364 1 9 . 1 1 527 527 CYS HA H 527 5.153 5.153 4.929 0.224 18462 6365 1 9 . 1 1 527 527 CYS C C 527 175.243 175.243 174.002 1.241 18462 6366 1 9 . 1 1 527 527 CYS CA C 527 58.148 58.148 56.362 1.786 18462 6367 1 9 . 1 1 527 527 CYS CB C 527 30.164 30.164 31.403 -1.239 18462 6368 1 9 . 1 1 527 527 CYS H H 527 8.462 8.462 7.642 0.820 18462 6369 1 9 . 1 1 528 528 GLU N N 528 115.906 115.906 118.632 -2.726 18462 6370 1 9 . 1 1 528 528 GLU HA H 528 4.453 4.453 4.231 0.222 18462 6371 1 9 . 1 1 528 528 GLU C C 528 173.484 173.484 176.377 -2.893 18462 6372 1 9 . 1 1 528 528 GLU CA C 528 57.390 57.390 56.374 1.016 18462 6373 1 9 . 1 1 528 528 GLU CB C 528 29.608 29.608 29.199 0.409 18462 6374 1 9 . 1 1 528 528 GLU H H 528 8.704 8.704 8.603 0.101 18462 6375 1 9 . 1 1 529 529 LYS N N 529 125.068 125.068 121.090 3.978 18462 6376 1 9 . 1 1 529 529 LYS HA H 529 4.041 4.041 4.157 -0.116 18462 6377 1 9 . 1 1 529 529 LYS C C 529 176.881 176.881 174.635 2.246 18462 6378 1 9 . 1 1 529 529 LYS CA C 529 57.585 57.585 56.672 0.913 18462 6379 1 9 . 1 1 529 529 LYS CB C 529 33.212 33.212 33.216 -0.004 18462 6380 1 9 . 1 1 529 529 LYS H H 529 8.696 8.696 7.539 1.157 18462 6381 1 9 . 1 1 530 530 VAL N N 530 119.525 119.525 121.102 -1.577 18462 6382 1 9 . 1 1 530 530 VAL HA H 530 4.541 4.541 4.268 0.273 18462 6383 1 9 . 1 1 530 530 VAL C C 530 175.118 175.118 175.410 -0.292 18462 6384 1 9 . 1 1 530 530 VAL CA C 530 60.633 60.633 61.463 -0.830 18462 6385 1 9 . 1 1 530 530 VAL CB C 530 34.150 34.150 33.860 0.290 18462 6386 1 9 . 1 1 530 530 VAL H H 530 8.054 8.054 8.101 -0.047 18462 6387 1 9 . 1 1 531 531 PHE N N 531 122.568 122.568 125.867 -3.299 18462 6388 1 9 . 1 1 531 531 PHE C C 531 174.185 174.185 174.538 -0.353 18462 6389 1 9 . 1 1 531 531 PHE CA C 531 55.586 55.586 54.968 0.618 18462 6390 1 9 . 1 1 531 531 PHE CB C 531 41.184 41.184 40.524 0.660 18462 6391 1 9 . 1 1 531 531 PHE H H 531 8.167 8.167 8.582 -0.415 18462 6392 1 9 . 1 1 532 532 PRO HA H 532 4.359 4.359 4.009 0.350 18462 6393 1 9 . 1 1 532 532 PRO CA C 532 62.216 62.216 62.996 -0.780 18462 6394 1 9 . 1 1 532 532 PRO CB C 532 29.930 29.930 31.870 -1.940 18462 6395 1 9 . 1 1 533 533 LEU N N 533 122.335 122.335 117.929 4.406 18462 6396 1 9 . 1 1 533 533 LEU HA H 533 4.086 4.086 4.200 -0.114 18462 6397 1 9 . 1 1 533 533 LEU C C 533 175.091 175.091 176.684 -1.593 18462 6398 1 9 . 1 1 533 533 LEU CA C 533 55.006 55.006 53.021 1.985 18462 6399 1 9 . 1 1 533 533 LEU CB C 533 43.529 43.529 44.397 -0.868 18462 6400 1 9 . 1 1 533 533 LEU H H 533 6.587 6.587 7.434 -0.847 18462 6401 1 9 . 1 1 534 534 ALA N N 534 126.722 126.722 126.174 0.548 18462 6402 1 9 . 1 1 534 534 ALA HA H 534 2.993 2.993 3.325 -0.332 18462 6403 1 9 . 1 1 534 534 ALA C C 534 175.439 175.439 178.714 -3.275 18462 6404 1 9 . 1 1 534 534 ALA CA C 534 54.537 54.537 54.932 -0.396 18462 6405 1 9 . 1 1 534 534 ALA CB C 534 18.452 18.452 17.512 0.940 18462 6406 1 9 . 1 1 534 534 ALA H H 534 7.698 7.698 7.981 -0.283 18462 6407 1 9 . 1 1 535 535 GLU N N 535 119.354 119.354 118.160 1.194 18462 6408 1 9 . 1 1 535 535 GLU HA H 535 4.675 4.675 4.024 0.651 18462 6409 1 9 . 1 1 535 535 GLU C C 535 180.126 180.126 178.373 1.753 18462 6410 1 9 . 1 1 535 535 GLU CA C 535 58.526 58.526 59.105 -0.579 18462 6411 1 9 . 1 1 535 535 GLU H H 535 9.535 9.535 8.697 0.838 18462 6412 1 9 . 1 1 536 536 TYR N N 536 114.592 114.592 119.720 -5.128 18462 6413 1 9 . 1 1 536 536 TYR HA H 536 4.368 4.368 4.109 0.259 18462 6414 1 9 . 1 1 536 536 TYR C C 536 178.004 178.004 178.174 -0.170 18462 6415 1 9 . 1 1 536 536 TYR CA C 536 56.179 56.179 58.224 -2.045 18462 6416 1 9 . 1 1 536 536 TYR CB C 536 35.556 35.556 37.319 -1.763 18462 6417 1 9 . 1 1 536 536 TYR H H 536 6.552 6.552 7.989 -1.437 18462 6418 1 9 . 1 1 537 537 ARG N N 537 119.820 119.820 119.801 0.019 18462 6419 1 9 . 1 1 537 537 ARG HA H 537 3.209 3.209 3.689 -0.480 18462 6420 1 9 . 1 1 537 537 ARG C C 537 179.469 179.469 178.280 1.189 18462 6421 1 9 . 1 1 537 537 ARG CA C 537 59.131 59.131 60.275 -1.144 18462 6422 1 9 . 1 1 537 537 ARG CB C 537 27.179 27.179 30.125 -2.946 18462 6423 1 9 . 1 1 537 537 ARG H H 537 7.016 7.016 7.561 -0.545 18462 6424 1 9 . 1 1 538 538 THR N N 538 120.080 120.080 117.062 3.018 18462 6425 1 9 . 1 1 538 538 THR HA H 538 3.939 3.939 4.031 -0.092 18462 6426 1 9 . 1 1 538 538 THR C C 538 177.538 177.538 176.873 0.665 18462 6427 1 9 . 1 1 538 538 THR CA C 538 66.026 66.026 66.992 -0.966 18462 6428 1 9 . 1 1 538 538 THR CB C 538 66.964 66.964 68.400 -1.436 18462 6429 1 9 . 1 1 538 538 THR H H 538 8.410 8.410 8.329 0.081 18462 6430 1 9 . 1 1 539 539 LYS N N 539 117.252 117.252 120.112 -2.860 18462 6431 1 9 . 1 1 539 539 LYS HA H 539 4.054 4.054 4.111 -0.057 18462 6432 1 9 . 1 1 539 539 LYS C C 539 176.139 176.139 178.824 -2.685 18462 6433 1 9 . 1 1 539 539 LYS CA C 539 57.116 57.116 58.706 -1.590 18462 6434 1 9 . 1 1 539 539 LYS CB C 539 31.859 31.859 31.750 0.109 18462 6435 1 9 . 1 1 539 539 LYS H H 539 8.012 8.012 8.552 -0.540 18462 6436 1 9 . 1 1 540 540 HIS N N 540 118.983 118.983 120.152 -1.169 18462 6437 1 9 . 1 1 540 540 HIS HA H 540 4.548 4.548 3.863 0.685 18462 6438 1 9 . 1 1 540 540 HIS C C 540 179.568 179.568 177.590 1.978 18462 6439 1 9 . 1 1 540 540 HIS CA C 540 58.758 58.758 59.344 -0.586 18462 6440 1 9 . 1 1 540 540 HIS CB C 540 28.260 28.260 29.614 -1.354 18462 6441 1 9 . 1 1 540 540 HIS H H 540 7.536 7.536 8.095 -0.559 18462 6442 1 9 . 1 1 541 541 GLU N N 541 122.073 122.073 119.190 2.883 18462 6443 1 9 . 1 1 541 541 GLU HA H 541 4.215 4.215 4.105 0.110 18462 6444 1 9 . 1 1 541 541 GLU C C 541 177.829 177.829 178.718 -0.889 18462 6445 1 9 . 1 1 541 541 GLU CA C 541 61.181 61.181 58.938 2.243 18462 6446 1 9 . 1 1 541 541 GLU CB C 541 29.712 29.712 29.613 0.099 18462 6447 1 9 . 1 1 541 541 GLU H H 541 9.540 9.540 8.527 1.013 18462 6448 1 9 . 1 1 542 542 ILE N N 542 121.307 121.307 119.730 1.577 18462 6449 1 9 . 1 1 542 542 ILE HA H 542 4.335 4.335 3.832 0.503 18462 6450 1 9 . 1 1 542 542 ILE C C 542 179.666 179.666 177.956 1.710 18462 6451 1 9 . 1 1 542 542 ILE CA C 542 61.806 61.806 64.773 -2.967 18462 6452 1 9 . 1 1 542 542 ILE CB C 542 36.729 36.729 38.167 -1.438 18462 6453 1 9 . 1 1 542 542 ILE H H 542 8.275 8.275 8.180 0.095 18462 6454 1 9 . 1 1 543 543 HIS N N 543 118.514 118.514 117.787 0.727 18462 6455 1 9 . 1 1 543 543 HIS HA H 543 4.257 4.257 4.327 -0.070 18462 6456 1 9 . 1 1 543 543 HIS C C 543 178.283 178.283 177.253 1.030 18462 6457 1 9 . 1 1 543 543 HIS CA C 543 58.758 58.758 59.175 -0.417 18462 6458 1 9 . 1 1 543 543 HIS CB C 543 26.882 26.882 29.087 -2.205 18462 6459 1 9 . 1 1 543 543 HIS H H 543 7.744 7.744 7.667 0.077 18462 6460 1 9 . 1 1 544 544 HIS N N 544 115.805 115.805 116.483 -0.678 18462 6461 1 9 . 1 1 544 544 HIS HA H 544 4.317 4.317 4.367 -0.050 18462 6462 1 9 . 1 1 544 544 HIS C C 544 178.058 178.058 176.977 1.081 18462 6463 1 9 . 1 1 544 544 HIS CA C 544 58.054 58.054 58.749 -0.695 18462 6464 1 9 . 1 1 544 544 HIS CB C 544 36.882 36.882 29.781 7.101 18462 6465 1 9 . 1 1 544 544 HIS H H 544 7.537 7.537 7.318 0.219 18462 6466 1 9 . 1 1 545 545 THR N N 545 109.469 109.469 110.171 -0.702 18462 6467 1 9 . 1 1 545 545 THR HA H 545 4.184 4.184 4.246 -0.062 18462 6468 1 9 . 1 1 545 545 THR C C 545 177.277 177.277 175.995 1.282 18462 6469 1 9 . 1 1 545 545 THR CA C 545 62.509 62.509 63.385 -0.876 18462 6470 1 9 . 1 1 545 545 THR CB C 545 68.839 68.839 69.777 -0.938 18462 6471 1 9 . 1 1 545 545 THR H H 545 7.991 7.991 8.016 -0.025 18462 6472 1 9 . 1 1 546 546 GLY N N 546 113.407 113.407 110.887 2.520 18462 6473 1 9 . 1 1 546 546 GLY C C 546 177.501 177.501 173.919 3.582 18462 6474 1 9 . 1 1 546 546 GLY CA C 546 44.935 44.935 45.425 -0.490 18462 6475 1 9 . 1 1 546 546 GLY H H 546 8.530 8.530 7.894 0.636 18462 6476 1 9 . 1 1 547 547 GLU N N 547 123.901 123.901 120.897 3.004 18462 6477 1 9 . 1 1 547 547 GLU HA H 547 3.913 3.913 4.042 -0.129 18462 6478 1 9 . 1 1 547 547 GLU C C 547 173.687 173.687 176.259 -2.572 18462 6479 1 9 . 1 1 547 547 GLU CA C 547 56.413 56.413 56.803 -0.390 18462 6480 1 9 . 1 1 547 547 GLU CB C 547 29.123 29.123 29.716 -0.593 18462 6481 1 9 . 1 1 547 547 GLU H H 547 7.301 7.301 7.643 -0.342 18462 6482 1 9 . 1 1 548 548 ARG N N 548 128.505 128.505 128.230 0.275 18462 6483 1 9 . 1 1 548 548 ARG HA H 548 4.444 4.444 4.511 -0.067 18462 6484 1 9 . 1 1 548 548 ARG C C 548 175.180 175.180 175.770 -0.590 18462 6485 1 9 . 1 1 548 548 ARG CA C 548 55.059 55.059 55.999 -0.941 18462 6486 1 9 . 1 1 548 548 ARG CB C 548 29.227 29.227 29.654 -0.427 18462 6487 1 9 . 1 1 548 548 ARG H H 548 8.752 8.752 8.455 0.297 18462 6488 1 9 . 1 1 549 549 ARG N N 549 121.815 121.815 120.888 0.927 18462 6489 1 9 . 1 1 549 549 ARG HA H 549 4.205 4.205 4.239 -0.034 18462 6490 1 9 . 1 1 549 549 ARG C C 549 175.850 175.850 176.623 -0.773 18462 6491 1 9 . 1 1 549 549 ARG CA C 549 57.350 57.350 58.163 -0.814 18462 6492 1 9 . 1 1 549 549 ARG CB C 549 32.980 32.980 31.066 1.914 18462 6493 1 9 . 1 1 549 549 ARG H H 549 9.440 9.440 8.131 1.309 18462 6494 1 9 . 1 1 550 550 TYR N N 550 116.087 116.087 119.857 -3.770 18462 6495 1 9 . 1 1 550 550 TYR C C 550 176.129 176.129 174.953 1.176 18462 6496 1 9 . 1 1 550 550 TYR CA C 550 58.169 58.169 57.805 0.364 18462 6497 1 9 . 1 1 550 550 TYR CB C 550 38.994 38.994 37.061 1.933 18462 6498 1 9 . 1 1 550 550 TYR H H 550 8.287 8.287 8.193 0.094 18462 6499 1 9 . 1 1 551 551 GLN N N 551 125.096 125.096 124.549 0.547 18462 6500 1 9 . 1 1 551 551 GLN HA H 551 5.275 5.275 4.668 0.607 18462 6501 1 9 . 1 1 551 551 GLN C C 551 175.080 175.080 174.647 0.433 18462 6502 1 9 . 1 1 551 551 GLN CA C 551 53.610 53.610 54.656 -1.046 18462 6503 1 9 . 1 1 551 551 GLN CB C 551 31.152 31.152 30.890 0.262 18462 6504 1 9 . 1 1 551 551 GLN H H 551 9.656 9.656 9.249 0.407 18462 6505 1 9 . 1 1 552 552 CYS N N 552 128.697 128.697 128.619 0.078 18462 6506 1 9 . 1 1 552 552 CYS HA H 552 4.584 4.584 4.926 -0.342 18462 6507 1 9 . 1 1 552 552 CYS C C 552 175.231 175.231 175.873 -0.642 18462 6508 1 9 . 1 1 552 552 CYS CA C 552 59.461 59.461 58.707 0.754 18462 6509 1 9 . 1 1 552 552 CYS CB C 552 29.695 29.695 25.964 3.731 18462 6510 1 9 . 1 1 552 552 CYS H H 552 9.427 9.427 9.262 0.165 18462 6511 1 9 . 1 1 553 553 LEU N N 553 130.168 130.168 128.211 1.957 18462 6512 1 9 . 1 1 553 553 LEU HA H 553 4.396 4.396 4.048 0.348 18462 6513 1 9 . 1 1 553 553 LEU C C 553 177.402 177.402 177.811 -0.409 18462 6514 1 9 . 1 1 553 553 LEU CA C 553 55.710 55.710 57.354 -1.644 18462 6515 1 9 . 1 1 553 553 LEU CB C 553 40.246 40.246 41.457 -1.211 18462 6516 1 9 . 1 1 553 553 LEU H H 553 8.632 8.632 8.837 -0.205 18462 6517 1 9 . 1 1 554 554 ALA N N 554 125.048 125.048 121.747 3.301 18462 6518 1 9 . 1 1 554 554 ALA HA H 554 4.295 4.295 4.090 0.205 18462 6519 1 9 . 1 1 554 554 ALA C C 554 177.657 177.657 177.937 -0.280 18462 6520 1 9 . 1 1 554 554 ALA CA C 554 53.610 53.610 54.229 -0.619 18462 6521 1 9 . 1 1 554 554 ALA CB C 554 16.577 16.577 18.530 -1.953 18462 6522 1 9 . 1 1 554 554 ALA H H 554 8.847 8.847 8.367 0.480 18462 6523 1 9 . 1 1 555 555 CYS N N 555 113.388 113.388 113.428 -0.040 18462 6524 1 9 . 1 1 555 555 CYS HA H 555 5.299 5.299 5.040 0.259 18462 6525 1 9 . 1 1 555 555 CYS C C 555 178.854 178.854 176.390 2.464 18462 6526 1 9 . 1 1 555 555 CYS CA C 555 57.820 57.820 57.518 0.302 18462 6527 1 9 . 1 1 555 555 CYS CB C 555 31.665 31.665 29.246 2.419 18462 6528 1 9 . 1 1 555 555 CYS H H 555 8.146 8.146 8.277 -0.131 18462 6529 1 9 . 1 1 556 556 GLY N N 556 114.264 114.264 110.911 3.353 18462 6530 1 9 . 1 1 556 556 GLY C C 556 176.084 176.084 173.858 2.226 18462 6531 1 9 . 1 1 556 556 GLY CA C 556 45.639 45.639 45.151 0.488 18462 6532 1 9 . 1 1 556 556 GLY H H 556 8.104 8.104 8.873 -0.769 18462 6533 1 9 . 1 1 557 557 LYS N N 557 123.318 123.318 122.003 1.315 18462 6534 1 9 . 1 1 557 557 LYS HA H 557 4.110 4.110 4.152 -0.042 18462 6535 1 9 . 1 1 557 557 LYS C C 557 174.300 174.300 175.646 -1.346 18462 6536 1 9 . 1 1 557 557 LYS CA C 557 57.585 57.585 56.382 1.203 18462 6537 1 9 . 1 1 557 557 LYS CB C 557 33.447 33.447 32.968 0.479 18462 6538 1 9 . 1 1 557 557 LYS H H 557 8.043 8.043 7.574 0.469 18462 6539 1 9 . 1 1 558 558 SER N N 558 115.947 115.947 117.713 -1.766 18462 6540 1 9 . 1 1 558 558 SER HA H 558 5.661 5.661 5.375 0.286 18462 6541 1 9 . 1 1 558 558 SER C C 558 174.321 174.321 173.336 0.985 18462 6542 1 9 . 1 1 558 558 SER CA C 558 56.179 56.179 56.848 -0.669 18462 6543 1 9 . 1 1 558 558 SER CB C 558 65.088 65.088 65.352 -0.264 18462 6544 1 9 . 1 1 558 558 SER H H 558 7.864 7.864 8.281 -0.417 18462 6545 1 9 . 1 1 559 559 PHE N N 559 117.815 117.815 120.482 -2.667 18462 6546 1 9 . 1 1 559 559 PHE HA H 559 4.781 4.781 4.790 -0.009 18462 6547 1 9 . 1 1 559 559 PHE C C 559 173.632 173.632 175.888 -2.256 18462 6548 1 9 . 1 1 559 559 PHE CA C 559 56.687 56.687 56.991 -0.304 18462 6549 1 9 . 1 1 559 559 PHE CB C 559 44.232 44.232 42.037 2.195 18462 6550 1 9 . 1 1 559 559 PHE H H 559 9.488 9.488 8.989 0.499 18462 6551 1 9 . 1 1 560 560 ILE N N 560 118.092 118.092 119.567 -1.475 18462 6552 1 9 . 1 1 560 560 ILE HA H 560 4.470 4.470 4.212 0.258 18462 6553 1 9 . 1 1 560 560 ILE C C 560 175.986 175.986 175.165 0.821 18462 6554 1 9 . 1 1 560 560 ILE CA C 560 62.040 62.040 63.255 -1.215 18462 6555 1 9 . 1 1 560 560 ILE CB C 560 39.308 39.308 38.226 1.082 18462 6556 1 9 . 1 1 560 560 ILE H H 560 9.306 9.306 8.587 0.719 18462 6557 1 9 . 1 1 561 561 ASN N N 561 114.751 114.751 113.917 0.834 18462 6558 1 9 . 1 1 561 561 ASN HA H 561 4.683 4.683 4.737 -0.054 18462 6559 1 9 . 1 1 561 561 ASN C C 561 175.350 175.350 174.091 1.259 18462 6560 1 9 . 1 1 561 561 ASN CA C 561 50.797 50.797 51.685 -0.888 18462 6561 1 9 . 1 1 561 561 ASN CB C 561 39.777 39.777 39.535 0.242 18462 6562 1 9 . 1 1 561 561 ASN H H 561 7.387 7.387 7.561 -0.174 18462 6563 1 9 . 1 1 562 562 TYR N N 562 118.833 118.833 120.848 -2.015 18462 6564 1 9 . 1 1 562 562 TYR C C 562 172.730 172.730 176.667 -3.937 18462 6565 1 9 . 1 1 562 562 TYR CA C 562 59.907 59.907 62.036 -2.129 18462 6566 1 9 . 1 1 562 562 TYR CB C 562 38.480 38.480 38.325 0.154 18462 6567 1 9 . 1 1 562 562 TYR H H 562 8.243 8.243 8.413 -0.170 18462 6568 1 9 . 1 1 563 563 GLN N N 563 119.525 119.525 118.199 1.326 18462 6569 1 9 . 1 1 563 563 GLN HA H 563 3.720 3.720 3.938 -0.218 18462 6570 1 9 . 1 1 563 563 GLN C C 563 176.326 176.326 178.261 -1.935 18462 6571 1 9 . 1 1 563 563 GLN CA C 563 61.102 61.102 59.670 1.432 18462 6572 1 9 . 1 1 563 563 GLN CB C 563 25.450 25.450 27.645 -2.195 18462 6573 1 9 . 1 1 563 563 GLN H H 563 8.524 8.524 8.342 0.182 18462 6574 1 9 . 1 1 564 564 PHE N N 564 118.625 118.625 119.748 -1.123 18462 6575 1 9 . 1 1 564 564 PHE HA H 564 4.427 4.427 4.120 0.307 18462 6576 1 9 . 1 1 564 564 PHE C C 564 179.429 179.429 177.546 1.883 18462 6577 1 9 . 1 1 564 564 PHE CA C 564 59.461 59.461 60.482 -1.021 18462 6578 1 9 . 1 1 564 564 PHE CB C 564 38.488 38.488 38.599 -0.111 18462 6579 1 9 . 1 1 564 564 PHE H H 564 8.904 8.904 8.873 0.031 18462 6580 1 9 . 1 1 565 565 MET N N 565 120.996 120.996 120.122 0.874 18462 6581 1 9 . 1 1 565 565 MET HA H 565 3.720 3.720 3.031 0.689 18462 6582 1 9 . 1 1 565 565 MET C C 565 178.642 178.642 177.691 0.951 18462 6583 1 9 . 1 1 565 565 MET CA C 565 58.037 58.037 59.253 -1.216 18462 6584 1 9 . 1 1 565 565 MET H H 565 7.153 7.153 7.716 -0.563 18462 6585 1 9 . 1 1 566 566 SER N N 566 115.706 115.706 114.453 1.253 18462 6586 1 9 . 1 1 566 566 SER HA H 566 3.720 3.720 3.834 -0.114 18462 6587 1 9 . 1 1 566 566 SER C C 566 176.710 176.710 176.366 0.344 18462 6588 1 9 . 1 1 566 566 SER CA C 566 60.633 60.633 61.337 -0.705 18462 6589 1 9 . 1 1 566 566 SER CB C 566 62.040 62.040 62.759 -0.719 18462 6590 1 9 . 1 1 566 566 SER H H 566 8.918 8.918 8.180 0.738 18462 6591 1 9 . 1 1 567 567 SER N N 567 114.335 114.335 117.405 -3.070 18462 6592 1 9 . 1 1 567 567 SER HA H 567 4.212 4.212 4.006 0.206 18462 6593 1 9 . 1 1 567 567 SER C C 567 176.849 176.849 176.266 0.583 18462 6594 1 9 . 1 1 567 567 SER CA C 567 60.868 60.868 61.417 -0.549 18462 6595 1 9 . 1 1 567 567 SER CB C 567 61.806 61.806 63.132 -1.326 18462 6596 1 9 . 1 1 567 567 SER H H 567 7.933 7.933 7.841 0.092 18462 6597 1 9 . 1 1 568 568 HIS N N 568 120.659 120.659 121.723 -1.064 18462 6598 1 9 . 1 1 568 568 HIS HA H 568 4.327 4.327 4.229 0.098 18462 6599 1 9 . 1 1 568 568 HIS C C 568 177.652 177.652 177.288 0.364 18462 6600 1 9 . 1 1 568 568 HIS CA C 568 58.992 58.992 59.652 -0.660 18462 6601 1 9 . 1 1 568 568 HIS CB C 568 27.234 27.234 29.449 -2.215 18462 6602 1 9 . 1 1 568 568 HIS H H 568 7.594 7.594 8.084 -0.490 18462 6603 1 9 . 1 1 569 569 ILE N N 569 120.858 120.858 120.000 0.858 18462 6604 1 9 . 1 1 569 569 ILE HA H 569 3.562 3.562 3.700 -0.138 18462 6605 1 9 . 1 1 569 569 ILE C C 569 175.925 175.925 178.335 -2.410 18462 6606 1 9 . 1 1 569 569 ILE CA C 569 66.729 66.729 65.427 1.302 18462 6607 1 9 . 1 1 569 569 ILE CB C 569 37.198 37.198 37.895 -0.697 18462 6608 1 9 . 1 1 569 569 ILE H H 569 8.640 8.640 8.228 0.412 18462 6609 1 9 . 1 1 570 570 LYS N N 570 118.876 118.876 120.113 -1.237 18462 6610 1 9 . 1 1 570 570 LYS HA H 570 4.329 4.329 4.259 0.070 18462 6611 1 9 . 1 1 570 570 LYS C C 570 178.927 178.927 179.298 -0.371 18462 6612 1 9 . 1 1 570 570 LYS CA C 570 59.461 59.461 59.481 -0.021 18462 6613 1 9 . 1 1 570 570 LYS CB C 570 32.743 32.743 32.531 0.212 18462 6614 1 9 . 1 1 570 570 LYS H H 570 8.463 8.463 8.273 0.190 18462 6615 1 9 . 1 1 571 571 SER N N 571 112.612 112.612 114.605 -1.993 18462 6616 1 9 . 1 1 571 571 SER HA H 571 4.323 4.323 4.239 0.084 18462 6617 1 9 . 1 1 571 571 SER C C 571 179.258 179.258 175.931 3.327 18462 6618 1 9 . 1 1 571 571 SER CA C 571 59.930 59.930 61.435 -1.505 18462 6619 1 9 . 1 1 571 571 SER CB C 571 62.978 62.978 63.400 -0.422 18462 6620 1 9 . 1 1 571 571 SER H H 571 7.997 7.997 8.019 -0.022 18462 6621 1 9 . 1 1 572 572 VAL N N 572 120.208 120.208 119.296 0.912 18462 6622 1 9 . 1 1 572 572 VAL HA H 572 3.789 3.789 3.674 0.115 18462 6623 1 9 . 1 1 572 572 VAL C C 572 176.245 176.245 176.682 -0.437 18462 6624 1 9 . 1 1 572 572 VAL CA C 572 63.916 63.916 64.224 -0.308 18462 6625 1 9 . 1 1 572 572 VAL CB C 572 31.337 31.337 31.869 -0.532 18462 6626 1 9 . 1 1 572 572 VAL H H 572 8.615 8.615 8.114 0.501 18462 6627 1 9 . 1 1 573 573 HIS N N 573 113.735 113.735 115.881 -2.146 18462 6628 1 9 . 1 1 573 573 HIS HA H 573 5.102 5.102 4.719 0.383 18462 6629 1 9 . 1 1 573 573 HIS C C 573 177.042 177.042 175.190 1.852 18462 6630 1 9 . 1 1 573 573 HIS CA C 573 53.376 53.376 55.442 -2.066 18462 6631 1 9 . 1 1 573 573 HIS CB C 573 28.210 28.210 30.529 -2.320 18462 6632 1 9 . 1 1 573 573 HIS H H 573 7.067 7.067 7.463 -0.396 18462 6633 1 9 . 1 1 574 574 SER N N 574 112.537 112.537 113.152 -0.615 18462 6634 1 9 . 1 1 574 574 SER HA H 574 4.421 4.421 4.282 0.139 18462 6635 1 9 . 1 1 574 574 SER C C 574 174.525 174.525 173.799 0.726 18462 6636 1 9 . 1 1 574 574 SER CA C 574 58.054 58.054 59.384 -1.330 18462 6637 1 9 . 1 1 574 574 SER CB C 574 61.102 61.102 61.616 -0.514 18462 6638 1 9 . 1 1 574 574 SER H H 574 7.325 7.325 8.038 -0.713 18462 6639 1 9 . 1 1 575 575 GLN N N 575 117.032 117.032 117.554 -0.522 18462 6640 1 9 . 1 1 575 575 GLN HA H 575 4.659 4.659 4.568 0.091 18462 6641 1 9 . 1 1 575 575 GLN C C 575 173.993 173.993 173.665 0.328 18462 6642 1 9 . 1 1 575 575 GLN CA C 575 53.376 53.376 53.941 -0.565 18462 6643 1 9 . 1 1 575 575 GLN CB C 575 32.743 32.743 33.289 -0.546 18462 6644 1 9 . 1 1 575 575 GLN H H 575 7.480 7.480 7.288 0.192 18462 6645 1 9 . 1 1 576 576 ASP N N 576 118.953 118.953 121.276 -2.323 18462 6646 1 9 . 1 1 576 576 ASP HA H 576 4.992 4.992 4.961 0.031 18462 6647 1 9 . 1 1 576 576 ASP C C 576 173.387 173.387 176.595 -3.208 18462 6648 1 9 . 1 1 576 576 ASP CA C 576 50.094 50.094 50.223 -0.129 18462 6649 1 9 . 1 1 576 576 ASP CB C 576 41.301 41.301 41.744 -0.443 18462 6650 1 9 . 1 1 576 576 ASP H H 576 8.173 8.173 8.731 -0.558 18462 6651 1 9 . 1 1 577 577 PRO HA H 577 4.629 4.629 4.465 0.164 18462 6652 1 9 . 1 1 577 577 PRO CA C 577 63.212 63.212 64.581 -1.369 18462 6653 1 9 . 1 1 577 577 PRO CB C 577 31.806 31.806 32.257 -0.451 18462 6654 1 9 . 1 1 578 578 SER N N 578 114.986 114.986 112.796 2.190 18462 6655 1 9 . 1 1 578 578 SER HA H 578 4.820 4.820 4.566 0.254 18462 6656 1 9 . 1 1 578 578 SER C C 578 176.301 176.301 175.605 0.696 18462 6657 1 9 . 1 1 578 578 SER CA C 578 58.054 58.054 57.665 0.389 18462 6658 1 9 . 1 1 578 578 SER CB C 578 63.447 63.447 63.466 -0.019 18462 6659 1 9 . 1 1 578 578 SER H H 578 8.387 8.387 8.435 -0.048 18462 6660 1 9 . 1 1 579 579 GLY N N 579 111.279 111.279 109.541 1.738 18462 6661 1 9 . 1 1 579 579 GLY C C 579 175.262 175.262 174.158 1.104 18462 6662 1 9 . 1 1 579 579 GLY CA C 579 44.935 44.935 44.744 0.191 18462 6663 1 9 . 1 1 579 579 GLY H H 579 8.554 8.554 7.587 0.967 18462 6664 1 9 . 1 1 580 580 ASP N N 580 121.402 121.402 119.143 2.259 18462 6665 1 9 . 1 1 580 580 ASP HA H 580 4.700 4.700 4.758 -0.058 18462 6666 1 9 . 1 1 580 580 ASP C C 580 174.329 174.329 176.499 -2.170 18462 6667 1 9 . 1 1 580 580 ASP CA C 580 53.845 53.845 54.188 -0.343 18462 6668 1 9 . 1 1 580 580 ASP CB C 580 40.012 40.012 40.735 -0.723 18462 6669 1 9 . 1 1 580 580 ASP H H 580 8.386 8.386 8.378 0.008 18462 6670 1 9 . 1 1 581 581 SER N N 581 115.668 115.668 116.024 -0.356 18462 6671 1 9 . 1 1 581 581 SER HA H 581 4.421 4.421 4.439 -0.018 18462 6672 1 9 . 1 1 581 581 SER C C 581 176.108 176.108 173.664 2.444 18462 6673 1 9 . 1 1 581 581 SER CA C 581 58.054 58.054 58.817 -0.763 18462 6674 1 9 . 1 1 581 581 SER CB C 581 63.212 63.212 64.055 -0.843 18462 6675 1 9 . 1 1 581 581 SER H H 581 8.015 8.015 8.289 -0.274 18462 6676 1 9 . 1 1 582 582 LYS N N 582 120.544 120.544 119.644 0.900 18462 6677 1 9 . 1 1 582 582 LYS HA H 582 4.329 4.329 3.912 0.417 18462 6678 1 9 . 1 1 582 582 LYS C C 582 174.302 174.302 175.544 -1.242 18462 6679 1 9 . 1 1 582 582 LYS CA C 582 55.944 55.944 56.684 -0.740 18462 6680 1 9 . 1 1 582 582 LYS CB C 582 30.868 30.868 30.354 0.514 18462 6681 1 9 . 1 1 582 582 LYS H H 582 8.453 8.453 8.299 0.154 18462 6682 1 9 . 1 1 583 583 LEU N N 583 119.514 119.514 118.127 1.387 18462 6683 1 9 . 1 1 583 583 LEU HA H 583 4.458 4.458 4.405 0.053 18462 6684 1 9 . 1 1 583 583 LEU C C 583 176.924 176.924 175.125 1.799 18462 6685 1 9 . 1 1 583 583 LEU CA C 583 54.303 54.303 54.469 -0.166 18462 6686 1 9 . 1 1 583 583 LEU CB C 583 43.060 43.060 42.044 1.016 18462 6687 1 9 . 1 1 583 583 LEU H H 583 8.391 8.391 8.292 0.099 18462 6688 1 9 . 1 1 584 584 TYR N N 584 115.291 115.291 114.209 1.082 18462 6689 1 9 . 1 1 584 584 TYR HA H 584 5.714 5.714 5.576 0.138 18462 6690 1 9 . 1 1 584 584 TYR C C 584 175.675 175.675 173.780 1.895 18462 6691 1 9 . 1 1 584 584 TYR CA C 584 54.303 54.303 54.677 -0.374 18462 6692 1 9 . 1 1 584 584 TYR CB C 584 42.420 42.420 41.751 0.669 18462 6693 1 9 . 1 1 584 584 TYR H H 584 7.625 7.625 6.998 0.627 18462 6694 1 9 . 1 1 585 585 ARG N N 585 120.321 120.321 122.383 -2.062 18462 6695 1 9 . 1 1 585 585 ARG HA H 585 4.407 4.407 4.737 -0.330 18462 6696 1 9 . 1 1 585 585 ARG C C 585 172.342 172.342 174.149 -1.807 18462 6697 1 9 . 1 1 585 585 ARG CA C 585 53.376 53.376 54.515 -1.139 18462 6698 1 9 . 1 1 585 585 ARG CB C 585 33.916 33.916 34.196 -0.280 18462 6699 1 9 . 1 1 585 585 ARG H H 585 9.141 9.141 8.999 0.142 18462 6700 1 9 . 1 1 586 586 LEU N N 586 129.013 129.013 129.278 -0.265 18462 6701 1 9 . 1 1 586 586 LEU HA H 586 4.768 4.768 4.768 0.000 18462 6702 1 9 . 1 1 586 586 LEU C C 586 173.449 173.449 175.294 -1.845 18462 6703 1 9 . 1 1 586 586 LEU CA C 586 52.438 52.438 53.852 -1.414 18462 6704 1 9 . 1 1 586 586 LEU CB C 586 41.653 41.653 42.691 -1.038 18462 6705 1 9 . 1 1 586 586 LEU H H 586 8.581 8.581 8.800 -0.219 18462 6706 1 9 . 1 1 587 587 HIS N N 587 127.447 127.447 126.505 0.942 18462 6707 1 9 . 1 1 587 587 HIS HA H 587 4.650 4.650 4.861 -0.211 18462 6708 1 9 . 1 1 587 587 HIS C C 587 175.512 175.512 173.702 1.810 18462 6709 1 9 . 1 1 587 587 HIS CA C 587 55.544 55.544 54.147 1.397 18462 6710 1 9 . 1 1 587 587 HIS CB C 587 29.930 29.930 30.619 -0.689 18462 6711 1 9 . 1 1 587 587 HIS H H 587 9.132 9.132 8.654 0.478 18462 6712 1 9 . 1 1 588 588 PRO HA H 588 4.441 4.441 4.377 0.064 18462 6713 1 9 . 1 1 588 588 PRO CA C 588 62.509 62.509 63.164 -0.655 18462 6714 1 9 . 1 1 588 588 PRO CB C 588 31.688 31.688 33.183 -1.495 18462 6715 1 9 . 1 1 589 589 CYS N N 589 124.057 124.057 120.613 3.444 18462 6716 1 9 . 1 1 589 589 CYS HA H 589 4.275 4.275 4.475 -0.200 18462 6717 1 9 . 1 1 589 589 CYS C C 589 174.401 174.401 174.801 -0.400 18462 6718 1 9 . 1 1 589 589 CYS CA C 589 58.289 58.289 58.102 0.187 18462 6719 1 9 . 1 1 589 589 CYS CB C 589 26.413 26.413 28.718 -2.305 18462 6720 1 9 . 1 1 589 589 CYS H H 589 9.475 9.475 8.551 0.924 18462 6721 1 9 . 1 1 590 590 ARG N N 590 130.942 130.942 127.348 3.594 18462 6722 1 9 . 1 1 590 590 ARG HA H 590 4.689 4.689 4.570 0.119 18462 6723 1 9 . 1 1 590 590 ARG C C 590 175.091 175.091 177.358 -2.267 18462 6724 1 9 . 1 1 590 590 ARG CA C 590 55.241 55.241 56.113 -0.872 18462 6725 1 9 . 1 1 590 590 ARG CB C 590 30.633 30.633 31.357 -0.724 18462 6726 1 9 . 1 1 590 590 ARG H H 590 7.227 7.227 9.141 -1.914 18462 6727 1 9 . 1 1 591 591 SER N N 591 117.243 117.243 116.459 0.784 18462 6728 1 9 . 1 1 591 591 SER HA H 591 4.342 4.342 4.345 -0.003 18462 6729 1 9 . 1 1 591 591 SER C C 591 178.367 178.367 174.734 3.633 18462 6730 1 9 . 1 1 591 591 SER CA C 591 59.695 59.695 61.002 -1.307 18462 6731 1 9 . 1 1 591 591 SER CB C 591 61.923 61.923 64.078 -2.155 18462 6732 1 9 . 1 1 591 591 SER H H 591 9.571 9.571 8.925 0.646 18462 6733 1 9 . 1 1 592 592 LEU N N 592 121.308 121.308 117.270 4.038 18462 6734 1 9 . 1 1 592 592 LEU HA H 592 4.778 4.778 4.731 0.047 18462 6735 1 9 . 1 1 592 592 LEU C C 592 173.260 173.260 175.331 -2.071 18462 6736 1 9 . 1 1 592 592 LEU CA C 592 52.846 52.846 53.387 -0.541 18462 6737 1 9 . 1 1 592 592 LEU CB C 592 45.404 45.404 43.939 1.465 18462 6738 1 9 . 1 1 592 592 LEU H H 592 7.369 7.369 7.280 0.089 18462 6739 1 9 . 1 1 593 593 GLN N N 593 122.109 122.109 120.162 1.947 18462 6740 1 9 . 1 1 593 593 GLN HA H 593 4.564 4.564 4.389 0.175 18462 6741 1 9 . 1 1 593 593 GLN C C 593 175.827 175.827 175.304 0.523 18462 6742 1 9 . 1 1 593 593 GLN CA C 593 54.303 54.303 55.989 -1.686 18462 6743 1 9 . 1 1 593 593 GLN CB C 593 26.882 26.882 28.267 -1.385 18462 6744 1 9 . 1 1 593 593 GLN H H 593 8.599 8.599 8.340 0.259 18462 6745 1 9 . 1 1 594 594 ILE N N 594 118.085 118.085 120.397 -2.312 18462 6746 1 9 . 1 1 594 594 ILE HA H 594 4.755 4.755 4.591 0.164 18462 6747 1 9 . 1 1 594 594 ILE C C 594 175.093 175.093 174.549 0.544 18462 6748 1 9 . 1 1 594 594 ILE CA C 594 58.831 58.831 58.952 -0.121 18462 6749 1 9 . 1 1 594 594 ILE CB C 594 42.591 42.591 41.328 1.263 18462 6750 1 9 . 1 1 594 594 ILE H H 594 7.635 7.635 8.106 -0.471 18462 6751 1 9 . 1 1 595 595 ARG N N 595 123.800 123.800 121.342 2.458 18462 6752 1 9 . 1 1 595 595 ARG HA H 595 4.038 4.038 4.275 -0.237 18462 6753 1 9 . 1 1 595 595 ARG C C 595 175.440 175.440 175.818 -0.378 18462 6754 1 9 . 1 1 595 595 ARG CA C 595 56.386 56.386 55.901 0.485 18462 6755 1 9 . 1 1 595 595 ARG CB C 595 30.516 30.516 30.519 -0.003 18462 6756 1 9 . 1 1 595 595 ARG H H 595 9.075 9.075 8.218 0.857 18462 6757 1 9 . 1 1 596 596 GLN N N 596 124.290 124.290 122.849 1.441 18462 6758 1 9 . 1 1 596 596 GLN HA H 596 4.420 4.420 4.366 0.054 18462 6759 1 9 . 1 1 596 596 GLN C C 596 174.630 174.630 174.926 -0.296 18462 6760 1 9 . 1 1 596 596 GLN CA C 596 52.907 52.907 54.404 -1.497 18462 6761 1 9 . 1 1 596 596 GLN CB C 596 30.164 30.164 28.629 1.535 18462 6762 1 9 . 1 1 596 596 GLN H H 596 8.495 8.495 8.419 0.076 18462 6763 1 9 . 1 1 597 597 TYR N N 597 121.829 121.829 121.818 0.011 18462 6764 1 9 . 1 1 597 597 TYR HA H 597 4.767 4.767 4.201 0.566 18462 6765 1 9 . 1 1 597 597 TYR C C 597 175.453 175.453 176.823 -1.370 18462 6766 1 9 . 1 1 597 597 TYR CA C 597 57.467 57.467 58.179 -0.712 18462 6767 1 9 . 1 1 597 597 TYR CB C 597 38.839 38.839 38.635 0.204 18462 6768 1 9 . 1 1 597 597 TYR H H 597 7.966 7.966 8.183 -0.217 18462 6769 1 9 . 1 1 598 598 ALA N N 598 129.272 129.272 125.578 3.694 18462 6770 1 9 . 1 1 598 598 ALA HA H 598 4.191 4.191 4.112 0.079 18462 6771 1 9 . 1 1 598 598 ALA C C 598 177.425 177.425 177.359 0.066 18462 6772 1 9 . 1 1 598 598 ALA CA C 598 54.040 54.040 54.260 -0.220 18462 6773 1 9 . 1 1 598 598 ALA CB C 598 17.749 17.749 18.427 -0.678 18462 6774 1 9 . 1 1 598 598 ALA H H 598 9.540 9.540 8.857 0.683 18462 6775 1 9 . 1 1 599 599 TYR N N 599 115.845 115.845 112.013 3.832 18462 6776 1 9 . 1 1 599 599 TYR HA H 599 4.560 4.560 4.475 0.085 18462 6777 1 9 . 1 1 599 599 TYR C C 599 173.276 173.276 175.753 -2.477 18462 6778 1 9 . 1 1 599 599 TYR CA C 599 58.172 58.172 58.937 -0.765 18462 6779 1 9 . 1 1 599 599 TYR CB C 599 36.432 36.432 37.962 -1.530 18462 6780 1 9 . 1 1 599 599 TYR H H 599 8.496 8.496 7.657 0.839 18462 6781 1 9 . 1 1 600 600 LEU N N 600 120.764 120.764 117.816 2.948 18462 6782 1 9 . 1 1 600 600 LEU HA H 600 4.260 4.260 4.324 -0.064 18462 6783 1 9 . 1 1 600 600 LEU C C 600 176.164 176.164 178.231 -2.067 18462 6784 1 9 . 1 1 600 600 LEU CA C 600 54.303 54.303 54.871 -0.568 18462 6785 1 9 . 1 1 600 600 LEU CB C 600 41.419 41.419 41.688 -0.269 18462 6786 1 9 . 1 1 600 600 LEU H H 600 7.299 7.299 7.247 0.052 18462 6787 1 9 . 1 1 601 601 SER N N 601 114.419 114.419 113.572 0.847 18462 6788 1 9 . 1 1 601 601 SER HA H 601 4.418 4.418 4.341 0.077 18462 6789 1 9 . 1 1 601 601 SER C C 601 177.754 177.754 174.508 3.246 18462 6790 1 9 . 1 1 601 601 SER CA C 601 58.054 58.054 58.934 -0.880 18462 6791 1 9 . 1 1 601 601 SER CB C 601 63.212 63.212 63.531 -0.319 18462 6792 1 9 . 1 1 601 601 SER H H 601 7.896 7.896 7.612 0.284 18462 6793 1 9 . 1 1 602 602 ASP N N 602 122.293 122.293 121.329 0.964 18462 6794 1 9 . 1 1 602 602 ASP HA H 602 4.651 4.651 4.565 0.086 18462 6795 1 9 . 1 1 602 602 ASP C C 602 174.087 174.087 176.011 -1.924 18462 6796 1 9 . 1 1 602 602 ASP CA C 602 53.845 53.845 54.867 -1.022 18462 6797 1 9 . 1 1 602 602 ASP CB C 602 40.481 40.481 41.782 -1.301 18462 6798 1 9 . 1 1 602 602 ASP H H 602 8.257 8.257 7.975 0.282 18462 6799 1 9 . 1 1 603 603 ARG N N 603 121.398 121.398 121.824 -0.426 18462 6800 1 9 . 1 1 603 603 ARG HA H 603 4.454 4.454 4.520 -0.066 18462 6801 1 9 . 1 1 603 603 ARG C C 603 176.111 176.111 175.591 0.520 18462 6802 1 9 . 1 1 603 603 ARG CA C 603 55.241 55.241 55.897 -0.656 18462 6803 1 9 . 1 1 603 603 ARG CB C 603 30.164 30.164 30.603 -0.439 18462 6804 1 9 . 1 1 603 603 ARG H H 603 8.234 8.234 8.620 -0.386 18462 6805 1 10 . 1 1 473 473 ASN HA H 473 4.815 4.815 4.774 0.041 18462 6806 1 10 . 1 1 473 473 ASN CA C 473 52.204 52.204 52.689 -0.485 18462 6807 1 10 . 1 1 473 473 ASN CB C 473 38.371 38.371 39.665 -1.294 18462 6808 1 10 . 1 1 474 474 LYS N N 474 122.150 122.150 121.352 0.798 18462 6809 1 10 . 1 1 474 474 LYS HA H 474 4.375 4.375 4.505 -0.130 18462 6810 1 10 . 1 1 474 474 LYS C C 474 174.965 174.965 176.443 -1.478 18462 6811 1 10 . 1 1 474 474 LYS CA C 474 55.944 55.944 55.892 0.053 18462 6812 1 10 . 1 1 474 474 LYS CB C 474 32.405 32.405 32.569 -0.164 18462 6813 1 10 . 1 1 474 474 LYS H H 474 8.586 8.586 8.524 0.062 18462 6814 1 10 . 1 1 475 475 ARG N N 475 122.278 122.278 124.586 -2.308 18462 6815 1 10 . 1 1 475 475 ARG HA H 475 4.374 4.374 4.475 -0.101 18462 6816 1 10 . 1 1 475 475 ARG C C 475 176.695 176.695 176.306 0.389 18462 6817 1 10 . 1 1 475 475 ARG CA C 475 55.944 55.944 55.954 -0.010 18462 6818 1 10 . 1 1 475 475 ARG CB C 475 30.164 30.164 30.933 -0.769 18462 6819 1 10 . 1 1 475 475 ARG H H 475 8.662 8.662 8.559 0.103 18462 6820 1 10 . 1 1 476 476 MET N N 476 122.046 122.046 121.304 0.742 18462 6821 1 10 . 1 1 476 476 MET HA H 476 4.496 4.496 4.676 -0.180 18462 6822 1 10 . 1 1 476 476 MET C C 476 176.359 176.359 175.033 1.326 18462 6823 1 10 . 1 1 476 476 MET CA C 476 54.537 54.537 55.449 -0.912 18462 6824 1 10 . 1 1 476 476 MET CB C 476 32.509 32.509 32.579 -0.070 18462 6825 1 10 . 1 1 476 476 MET H H 476 8.490 8.490 8.357 0.134 18462 6826 1 10 . 1 1 477 477 LYS N N 477 123.768 123.768 123.765 0.003 18462 6827 1 10 . 1 1 477 477 LYS HA H 477 4.384 4.384 4.513 -0.129 18462 6828 1 10 . 1 1 477 477 LYS C C 477 176.015 176.015 175.264 0.751 18462 6829 1 10 . 1 1 477 477 LYS CA C 477 55.834 55.834 55.777 0.057 18462 6830 1 10 . 1 1 477 477 LYS CB C 477 32.107 32.107 32.741 -0.634 18462 6831 1 10 . 1 1 477 477 LYS H H 477 8.472 8.472 8.015 0.457 18462 6832 1 10 . 1 1 478 478 VAL N N 478 122.460 122.460 118.334 4.126 18462 6833 1 10 . 1 1 478 478 VAL HA H 478 4.054 4.054 4.407 -0.353 18462 6834 1 10 . 1 1 478 478 VAL C C 478 176.320 176.320 174.906 1.414 18462 6835 1 10 . 1 1 478 478 VAL CA C 478 61.337 61.337 61.238 0.099 18462 6836 1 10 . 1 1 478 478 VAL CB C 478 32.275 32.275 33.282 -1.007 18462 6837 1 10 . 1 1 478 478 VAL H H 478 8.230 8.230 7.867 0.363 18462 6838 1 10 . 1 1 479 479 LYS N N 479 126.119 126.119 120.754 5.365 18462 6839 1 10 . 1 1 479 479 LYS HA H 479 4.365 4.365 4.430 -0.065 18462 6840 1 10 . 1 1 479 479 LYS C C 479 175.605 175.605 175.457 0.148 18462 6841 1 10 . 1 1 479 479 LYS CA C 479 55.006 55.006 56.012 -1.006 18462 6842 1 10 . 1 1 479 479 LYS CB C 479 32.098 32.098 32.909 -0.811 18462 6843 1 10 . 1 1 479 479 LYS H H 479 8.453 8.453 8.218 0.235 18462 6844 1 10 . 1 1 480 480 HIS N N 480 121.065 121.065 119.465 1.600 18462 6845 1 10 . 1 1 480 480 HIS HA H 480 4.713 4.713 4.742 -0.029 18462 6846 1 10 . 1 1 480 480 HIS C C 480 175.937 175.937 173.809 2.128 18462 6847 1 10 . 1 1 480 480 HIS CA C 480 54.537 54.537 55.470 -0.933 18462 6848 1 10 . 1 1 480 480 HIS CB C 480 30.047 30.047 31.988 -1.941 18462 6849 1 10 . 1 1 480 480 HIS H H 480 8.559 8.559 8.277 0.282 18462 6850 1 10 . 1 1 481 481 ASP HA H 481 4.392 4.392 4.581 -0.189 18462 6851 1 10 . 1 1 481 481 ASP C C 481 174.413 174.413 175.527 -1.114 18462 6852 1 10 . 1 1 481 481 ASP CA C 481 52.907 52.907 54.204 -1.297 18462 6853 1 10 . 1 1 481 481 ASP CB C 481 39.543 39.543 41.225 -1.682 18462 6854 1 10 . 1 1 482 482 ASP N N 482 118.362 118.362 117.896 0.466 18462 6855 1 10 . 1 1 482 482 ASP HA H 482 4.710 4.710 4.313 0.397 18462 6856 1 10 . 1 1 482 482 ASP C C 482 175.104 175.104 174.979 0.125 18462 6857 1 10 . 1 1 482 482 ASP CA C 482 53.376 53.376 53.756 -0.380 18462 6858 1 10 . 1 1 482 482 ASP CB C 482 39.308 39.308 40.218 -0.910 18462 6859 1 10 . 1 1 482 482 ASP H H 482 8.216 8.216 8.320 -0.104 18462 6860 1 10 . 1 1 483 483 HIS N N 483 113.578 113.578 113.715 -0.137 18462 6861 1 10 . 1 1 483 483 HIS HA H 483 5.886 5.886 5.208 0.678 18462 6862 1 10 . 1 1 483 483 HIS C C 483 175.274 175.274 173.014 2.260 18462 6863 1 10 . 1 1 483 483 HIS CA C 483 55.241 55.241 55.334 -0.093 18462 6864 1 10 . 1 1 483 483 HIS CB C 483 32.040 32.040 31.463 0.577 18462 6865 1 10 . 1 1 483 483 HIS H H 483 7.692 7.692 7.192 0.500 18462 6866 1 10 . 1 1 484 484 TYR N N 484 116.271 116.271 114.728 1.543 18462 6867 1 10 . 1 1 484 484 TYR HA H 484 5.003 5.003 4.932 0.071 18462 6868 1 10 . 1 1 484 484 TYR C C 484 180.038 180.038 173.925 6.113 18462 6869 1 10 . 1 1 484 484 TYR CA C 484 55.241 55.241 55.796 -0.555 18462 6870 1 10 . 1 1 484 484 TYR CB C 484 39.777 39.777 40.707 -0.930 18462 6871 1 10 . 1 1 484 484 TYR H H 484 8.493 8.493 8.711 -0.218 18462 6872 1 10 . 1 1 485 485 GLU N N 485 120.840 120.840 121.706 -0.866 18462 6873 1 10 . 1 1 485 485 GLU HA H 485 5.301 5.301 5.330 -0.029 18462 6874 1 10 . 1 1 485 485 GLU C C 485 174.101 174.101 175.710 -1.609 18462 6875 1 10 . 1 1 485 485 GLU CA C 485 54.772 54.772 55.645 -0.873 18462 6876 1 10 . 1 1 485 485 GLU CB C 485 31.337 31.337 31.729 -0.392 18462 6877 1 10 . 1 1 485 485 GLU H H 485 8.873 8.873 8.740 0.133 18462 6878 1 10 . 1 1 486 486 LEU N N 486 125.807 125.807 126.678 -0.871 18462 6879 1 10 . 1 1 486 486 LEU HA H 486 4.762 4.762 4.845 -0.083 18462 6880 1 10 . 1 1 486 486 LEU C C 486 175.613 175.613 174.867 0.746 18462 6881 1 10 . 1 1 486 486 LEU CA C 486 53.645 53.645 54.450 -0.805 18462 6882 1 10 . 1 1 486 486 LEU CB C 486 45.873 45.873 45.413 0.459 18462 6883 1 10 . 1 1 486 486 LEU H H 486 8.957 8.957 9.004 -0.047 18462 6884 1 10 . 1 1 487 487 ILE N N 487 125.332 125.332 127.624 -2.292 18462 6885 1 10 . 1 1 487 487 ILE HA H 487 5.007 5.007 4.495 0.512 18462 6886 1 10 . 1 1 487 487 ILE C C 487 174.543 174.543 175.580 -1.037 18462 6887 1 10 . 1 1 487 487 ILE CA C 487 59.695 59.695 61.315 -1.620 18462 6888 1 10 . 1 1 487 487 ILE CB C 487 37.433 37.433 38.226 -0.793 18462 6889 1 10 . 1 1 487 487 ILE H H 487 8.549 8.549 8.474 0.075 18462 6890 1 10 . 1 1 488 488 VAL N N 488 129.307 129.307 127.864 1.443 18462 6891 1 10 . 1 1 488 488 VAL HA H 488 4.304 4.304 4.146 0.158 18462 6892 1 10 . 1 1 488 488 VAL C C 488 176.678 176.678 175.215 1.463 18462 6893 1 10 . 1 1 488 488 VAL CA C 488 60.868 60.868 60.787 0.081 18462 6894 1 10 . 1 1 488 488 VAL CB C 488 33.681 33.681 34.739 -1.058 18462 6895 1 10 . 1 1 488 488 VAL H H 488 9.456 9.456 8.617 0.839 18462 6896 1 10 . 1 1 489 489 ASP N N 489 128.884 128.884 127.341 1.543 18462 6897 1 10 . 1 1 489 489 ASP HA H 489 4.301 4.301 4.249 0.052 18462 6898 1 10 . 1 1 489 489 ASP C C 489 176.084 176.084 177.085 -1.001 18462 6899 1 10 . 1 1 489 489 ASP CA C 489 54.537 54.537 54.710 -0.173 18462 6900 1 10 . 1 1 489 489 ASP CB C 489 39.074 39.074 40.441 -1.367 18462 6901 1 10 . 1 1 489 489 ASP H H 489 9.144 9.144 9.091 0.053 18462 6902 1 10 . 1 1 490 490 GLY N N 490 102.410 102.410 102.361 0.049 18462 6903 1 10 . 1 1 490 490 GLY C C 490 175.998 175.998 173.949 2.049 18462 6904 1 10 . 1 1 490 490 GLY CA C 490 44.818 44.818 45.447 -0.629 18462 6905 1 10 . 1 1 490 490 GLY H H 490 8.210 8.210 8.347 -0.137 18462 6906 1 10 . 1 1 491 491 ARG N N 491 122.605 122.605 120.288 2.317 18462 6907 1 10 . 1 1 491 491 ARG HA H 491 4.597 4.597 4.653 -0.056 18462 6908 1 10 . 1 1 491 491 ARG C C 491 173.256 173.256 175.093 -1.837 18462 6909 1 10 . 1 1 491 491 ARG CA C 491 53.610 53.610 54.276 -0.666 18462 6910 1 10 . 1 1 491 491 ARG CB C 491 32.040 32.040 32.146 -0.106 18462 6911 1 10 . 1 1 491 491 ARG H H 491 7.938 7.938 7.833 0.105 18462 6912 1 10 . 1 1 492 492 VAL N N 492 123.769 123.769 124.032 -0.263 18462 6913 1 10 . 1 1 492 492 VAL HA H 492 4.128 4.128 3.799 0.329 18462 6914 1 10 . 1 1 492 492 VAL C C 492 173.470 173.470 175.218 -1.748 18462 6915 1 10 . 1 1 492 492 VAL CA C 492 62.210 62.210 62.366 -0.156 18462 6916 1 10 . 1 1 492 492 VAL CB C 492 32.040 32.040 31.376 0.664 18462 6917 1 10 . 1 1 492 492 VAL H H 492 8.157 8.157 8.569 -0.412 18462 6918 1 10 . 1 1 493 493 TYR N N 493 124.842 124.842 126.655 -1.813 18462 6919 1 10 . 1 1 493 493 TYR HA H 493 4.632 4.632 4.773 -0.141 18462 6920 1 10 . 1 1 493 493 TYR C C 493 174.288 174.288 175.221 -0.933 18462 6921 1 10 . 1 1 493 493 TYR CA C 493 56.308 56.308 53.906 2.402 18462 6922 1 10 . 1 1 493 493 TYR CB C 493 40.481 40.481 40.449 0.032 18462 6923 1 10 . 1 1 493 493 TYR H H 493 8.981 8.981 8.713 0.268 18462 6924 1 10 . 1 1 494 494 TYR N N 494 120.511 120.511 119.166 1.345 18462 6925 1 10 . 1 1 494 494 TYR HA H 494 4.763 4.763 5.237 -0.474 18462 6926 1 10 . 1 1 494 494 TYR C C 494 173.811 173.811 175.456 -1.645 18462 6927 1 10 . 1 1 494 494 TYR CA C 494 56.764 56.764 56.563 0.201 18462 6928 1 10 . 1 1 494 494 TYR CB C 494 38.722 38.722 39.783 -1.061 18462 6929 1 10 . 1 1 494 494 TYR H H 494 9.235 9.235 9.178 0.057 18462 6930 1 10 . 1 1 495 495 ILE N N 495 124.930 124.930 122.720 2.210 18462 6931 1 10 . 1 1 495 495 ILE HA H 495 4.780 4.780 4.841 -0.061 18462 6932 1 10 . 1 1 495 495 ILE C C 495 174.764 174.764 175.537 -0.773 18462 6933 1 10 . 1 1 495 495 ILE CA C 495 57.714 57.714 59.206 -1.492 18462 6934 1 10 . 1 1 495 495 ILE CB C 495 36.729 36.729 40.567 -3.838 18462 6935 1 10 . 1 1 495 495 ILE H H 495 9.136 9.136 9.191 -0.055 18462 6936 1 10 . 1 1 496 496 CYS N N 496 127.535 127.535 127.764 -0.229 18462 6937 1 10 . 1 1 496 496 CYS HA H 496 4.745 4.745 4.890 -0.145 18462 6938 1 10 . 1 1 496 496 CYS C C 496 176.128 176.128 177.021 -0.893 18462 6939 1 10 . 1 1 496 496 CYS CA C 496 60.574 60.574 58.984 1.590 18462 6940 1 10 . 1 1 496 496 CYS CB C 496 29.227 29.227 27.919 1.308 18462 6941 1 10 . 1 1 496 496 CYS H H 496 9.016 9.016 8.659 0.357 18462 6942 1 10 . 1 1 497 497 ILE N N 497 129.645 129.645 126.553 3.092 18462 6943 1 10 . 1 1 497 497 ILE HA H 497 4.176 4.176 4.195 -0.019 18462 6944 1 10 . 1 1 497 497 ILE C C 497 177.925 177.925 176.820 1.105 18462 6945 1 10 . 1 1 497 497 ILE CA C 497 63.447 63.447 64.529 -1.082 18462 6946 1 10 . 1 1 497 497 ILE CB C 497 39.543 39.543 37.828 1.715 18462 6947 1 10 . 1 1 497 497 ILE H H 497 8.295 8.295 8.376 -0.081 18462 6948 1 10 . 1 1 498 498 VAL N N 498 123.791 123.791 121.757 2.034 18462 6949 1 10 . 1 1 498 498 VAL HA H 498 3.939 3.939 3.761 0.178 18462 6950 1 10 . 1 1 498 498 VAL C C 498 176.127 176.127 177.410 -1.283 18462 6951 1 10 . 1 1 498 498 VAL CA C 498 64.619 64.619 65.499 -0.880 18462 6952 1 10 . 1 1 498 498 VAL CB C 498 32.275 32.275 31.315 0.960 18462 6953 1 10 . 1 1 498 498 VAL H H 498 8.993 8.993 8.323 0.670 18462 6954 1 10 . 1 1 499 499 CYS N N 499 117.267 117.267 111.733 5.534 18462 6955 1 10 . 1 1 499 499 CYS HA H 499 5.157 5.157 4.861 0.296 18462 6956 1 10 . 1 1 499 499 CYS C C 499 177.106 177.106 174.954 2.152 18462 6957 1 10 . 1 1 499 499 CYS CA C 499 57.820 57.820 57.364 0.456 18462 6958 1 10 . 1 1 499 499 CYS CB C 499 31.571 31.571 29.519 2.052 18462 6959 1 10 . 1 1 499 499 CYS H H 499 8.307 8.307 8.049 0.258 18462 6960 1 10 . 1 1 500 500 LYS N N 500 117.950 117.950 118.733 -0.783 18462 6961 1 10 . 1 1 500 500 LYS HA H 500 4.306 4.306 4.080 0.226 18462 6962 1 10 . 1 1 500 500 LYS C C 500 175.869 175.869 175.508 0.361 18462 6963 1 10 . 1 1 500 500 LYS CA C 500 57.585 57.585 57.232 0.353 18462 6964 1 10 . 1 1 500 500 LYS CB C 500 28.289 28.289 29.686 -1.397 18462 6965 1 10 . 1 1 500 500 LYS H H 500 8.169 8.169 8.233 -0.064 18462 6966 1 10 . 1 1 501 501 ARG N N 501 121.270 121.270 119.845 1.425 18462 6967 1 10 . 1 1 501 501 ARG HA H 501 4.090 4.090 4.182 -0.092 18462 6968 1 10 . 1 1 501 501 ARG C C 501 175.587 175.587 175.802 -0.215 18462 6969 1 10 . 1 1 501 501 ARG CA C 501 58.289 58.289 56.061 2.228 18462 6970 1 10 . 1 1 501 501 ARG CB C 501 29.694 29.694 31.079 -1.385 18462 6971 1 10 . 1 1 501 501 ARG H H 501 8.071 8.071 7.766 0.305 18462 6972 1 10 . 1 1 502 502 SER N N 502 112.997 112.997 117.815 -4.818 18462 6973 1 10 . 1 1 502 502 SER HA H 502 5.003 5.003 4.716 0.287 18462 6974 1 10 . 1 1 502 502 SER C C 502 174.417 174.417 173.241 1.176 18462 6975 1 10 . 1 1 502 502 SER CA C 502 55.475 55.475 57.327 -1.852 18462 6976 1 10 . 1 1 502 502 SER CB C 502 65.088 65.088 64.451 0.637 18462 6977 1 10 . 1 1 502 502 SER H H 502 7.553 7.553 8.241 -0.688 18462 6978 1 10 . 1 1 503 503 TYR N N 503 121.115 121.115 121.954 -0.839 18462 6979 1 10 . 1 1 503 503 TYR HA H 503 4.996 4.996 4.610 0.386 18462 6980 1 10 . 1 1 503 503 TYR C C 503 173.707 173.707 175.464 -1.757 18462 6981 1 10 . 1 1 503 503 TYR CA C 503 57.585 57.585 57.841 -0.256 18462 6982 1 10 . 1 1 503 503 TYR CB C 503 42.244 42.244 41.940 0.304 18462 6983 1 10 . 1 1 503 503 TYR H H 503 8.958 8.958 8.594 0.364 18462 6984 1 10 . 1 1 504 504 VAL N N 504 119.390 119.390 123.260 -3.870 18462 6985 1 10 . 1 1 504 504 VAL HA H 504 4.376 4.376 4.085 0.291 18462 6986 1 10 . 1 1 504 504 VAL C C 504 176.390 176.390 176.306 0.084 18462 6987 1 10 . 1 1 504 504 VAL CA C 504 62.275 62.275 64.332 -2.057 18462 6988 1 10 . 1 1 504 504 VAL CB C 504 33.025 33.025 32.334 0.691 18462 6989 1 10 . 1 1 504 504 VAL H H 504 9.988 9.988 8.690 1.298 18462 6990 1 10 . 1 1 505 505 CYS N N 505 113.800 113.800 115.980 -2.180 18462 6991 1 10 . 1 1 505 505 CYS HA H 505 4.998 4.998 4.757 0.241 18462 6992 1 10 . 1 1 505 505 CYS C C 505 176.603 176.603 175.086 1.517 18462 6993 1 10 . 1 1 505 505 CYS CA C 505 56.647 56.647 57.193 -0.546 18462 6994 1 10 . 1 1 505 505 CYS CB C 505 38.406 38.406 31.152 7.254 18462 6995 1 10 . 1 1 505 505 CYS H H 505 7.518 7.518 7.860 -0.342 18462 6996 1 10 . 1 1 506 506 LEU N N 506 129.535 129.535 122.715 6.820 18462 6997 1 10 . 1 1 506 506 LEU HA H 506 3.325 3.325 3.823 -0.498 18462 6998 1 10 . 1 1 506 506 LEU C C 506 174.727 174.727 177.954 -3.227 18462 6999 1 10 . 1 1 506 506 LEU CA C 506 56.647 56.647 57.100 -0.453 18462 7000 1 10 . 1 1 506 506 LEU CB C 506 39.308 39.308 41.378 -2.070 18462 7001 1 10 . 1 1 506 506 LEU H H 506 8.602 8.602 8.563 0.039 18462 7002 1 10 . 1 1 507 507 THR N N 507 108.833 108.833 111.411 -2.578 18462 7003 1 10 . 1 1 507 507 THR HA H 507 3.820 3.820 3.921 -0.101 18462 7004 1 10 . 1 1 507 507 THR C C 507 178.905 178.905 176.376 2.529 18462 7005 1 10 . 1 1 507 507 THR CA C 507 64.150 64.150 65.517 -1.367 18462 7006 1 10 . 1 1 507 507 THR CB C 507 66.260 66.260 68.136 -1.876 18462 7007 1 10 . 1 1 507 507 THR H H 507 8.087 8.087 8.107 -0.020 18462 7008 1 10 . 1 1 508 508 SER N N 508 119.009 119.009 116.946 2.063 18462 7009 1 10 . 1 1 508 508 SER HA H 508 4.123 4.123 4.099 0.024 18462 7010 1 10 . 1 1 508 508 SER C C 508 178.467 178.467 176.076 2.391 18462 7011 1 10 . 1 1 508 508 SER CA C 508 59.461 59.461 60.757 -1.296 18462 7012 1 10 . 1 1 508 508 SER CB C 508 62.978 62.978 62.691 0.286 18462 7013 1 10 . 1 1 508 508 SER H H 508 7.230 7.230 8.245 -1.015 18462 7014 1 10 . 1 1 509 509 LEU N N 509 127.365 127.365 123.979 3.386 18462 7015 1 10 . 1 1 509 509 LEU HA H 509 3.216 3.216 3.322 -0.106 18462 7016 1 10 . 1 1 509 509 LEU C C 509 176.740 176.740 177.780 -1.040 18462 7017 1 10 . 1 1 509 509 LEU CA C 509 57.351 57.351 57.621 -0.270 18462 7018 1 10 . 1 1 509 509 LEU CB C 509 39.074 39.074 41.728 -2.654 18462 7019 1 10 . 1 1 509 509 LEU H H 509 7.114 7.114 6.984 0.130 18462 7020 1 10 . 1 1 510 510 ARG N N 510 119.955 119.955 118.532 1.423 18462 7021 1 10 . 1 1 510 510 ARG HA H 510 3.843 3.843 3.925 -0.082 18462 7022 1 10 . 1 1 510 510 ARG C C 510 178.472 178.472 178.918 -0.446 18462 7023 1 10 . 1 1 510 510 ARG CA C 510 61.766 61.766 57.454 4.312 18462 7024 1 10 . 1 1 510 510 ARG CB C 510 28.992 28.992 28.720 0.272 18462 7025 1 10 . 1 1 510 510 ARG H H 510 8.100 8.100 8.388 -0.288 18462 7026 1 10 . 1 1 511 511 ARG N N 511 120.947 120.947 119.150 1.797 18462 7027 1 10 . 1 1 511 511 ARG HA H 511 4.078 4.078 3.866 0.212 18462 7028 1 10 . 1 1 511 511 ARG C C 511 178.262 178.262 178.739 -0.477 18462 7029 1 10 . 1 1 511 511 ARG CA C 511 59.054 59.054 59.166 -0.112 18462 7030 1 10 . 1 1 511 511 ARG CB C 511 29.695 29.695 29.903 -0.208 18462 7031 1 10 . 1 1 511 511 ARG H H 511 7.802 7.802 7.879 -0.077 18462 7032 1 10 . 1 1 512 512 HIS N N 512 116.820 116.820 119.482 -2.662 18462 7033 1 10 . 1 1 512 512 HIS HA H 512 4.219 4.219 4.225 -0.006 18462 7034 1 10 . 1 1 512 512 HIS C C 512 178.069 178.069 177.382 0.687 18462 7035 1 10 . 1 1 512 512 HIS CA C 512 57.507 57.507 58.915 -1.408 18462 7036 1 10 . 1 1 512 512 HIS CB C 512 27.390 27.390 29.556 -2.166 18462 7037 1 10 . 1 1 512 512 HIS H H 512 7.809 7.809 7.954 -0.145 18462 7038 1 10 . 1 1 513 513 PHE N N 513 118.415 118.415 119.729 -1.314 18462 7039 1 10 . 1 1 513 513 PHE HA H 513 3.620 3.620 4.013 -0.393 18462 7040 1 10 . 1 1 513 513 PHE C C 513 176.026 176.026 176.346 -0.320 18462 7041 1 10 . 1 1 513 513 PHE CA C 513 61.102 61.102 61.374 -0.272 18462 7042 1 10 . 1 1 513 513 PHE CB C 513 38.996 38.996 38.944 0.052 18462 7043 1 10 . 1 1 513 513 PHE H H 513 8.898 8.898 8.880 0.018 18462 7044 1 10 . 1 1 514 514 ASN N N 514 114.080 114.080 118.278 -4.198 18462 7045 1 10 . 1 1 514 514 ASN HA H 514 4.988 4.988 4.355 0.633 18462 7046 1 10 . 1 1 514 514 ASN C C 514 176.236 176.236 177.118 -0.882 18462 7047 1 10 . 1 1 514 514 ASN CA C 514 55.006 55.006 55.494 -0.488 18462 7048 1 10 . 1 1 514 514 ASN CB C 514 40.129 40.129 38.496 1.633 18462 7049 1 10 . 1 1 514 514 ASN H H 514 8.678 8.678 7.663 1.015 18462 7050 1 10 . 1 1 515 515 ILE N N 515 114.035 114.035 118.188 -4.153 18462 7051 1 10 . 1 1 515 515 ILE HA H 515 2.997 2.997 3.172 -0.175 18462 7052 1 10 . 1 1 515 515 ILE C C 515 176.292 176.292 175.916 0.376 18462 7053 1 10 . 1 1 515 515 ILE CA C 515 63.447 63.447 63.336 0.111 18462 7054 1 10 . 1 1 515 515 ILE CB C 515 37.198 37.198 37.511 -0.313 18462 7055 1 10 . 1 1 515 515 ILE H H 515 7.919 7.919 7.754 0.165 18462 7056 1 10 . 1 1 516 516 HIS N N 516 113.136 113.136 117.651 -4.515 18462 7057 1 10 . 1 1 516 516 HIS HA H 516 4.767 4.767 4.555 0.212 18462 7058 1 10 . 1 1 516 516 HIS C C 516 175.870 175.870 177.137 -1.267 18462 7059 1 10 . 1 1 516 516 HIS CA C 516 54.542 54.542 58.261 -3.719 18462 7060 1 10 . 1 1 516 516 HIS CB C 516 27.585 27.585 30.193 -2.608 18462 7061 1 10 . 1 1 516 516 HIS H H 516 7.170 7.170 7.514 -0.344 18462 7062 1 10 . 1 1 517 517 SER N N 517 112.852 112.852 113.939 -1.087 18462 7063 1 10 . 1 1 517 517 SER HA H 517 4.359 4.359 4.333 0.026 18462 7064 1 10 . 1 1 517 517 SER C C 517 177.067 177.067 175.392 1.675 18462 7065 1 10 . 1 1 517 517 SER CA C 517 58.758 58.758 59.338 -0.580 18462 7066 1 10 . 1 1 517 517 SER CB C 517 63.447 63.447 64.300 -0.853 18462 7067 1 10 . 1 1 517 517 SER H H 517 7.886 7.886 7.765 0.121 18462 7068 1 10 . 1 1 518 518 TRP N N 518 122.824 122.824 121.431 1.393 18462 7069 1 10 . 1 1 518 518 TRP HA H 518 4.005 4.005 4.367 -0.362 18462 7070 1 10 . 1 1 518 518 TRP C C 518 175.133 175.133 176.841 -1.708 18462 7071 1 10 . 1 1 518 518 TRP CA C 518 57.820 57.820 58.514 -0.694 18462 7072 1 10 . 1 1 518 518 TRP CB C 518 25.710 25.710 26.493 -0.783 18462 7073 1 10 . 1 1 518 518 TRP H H 518 9.274 9.274 7.847 1.427 18462 7074 1 10 . 1 1 519 519 GLU N N 519 119.673 119.673 116.961 2.712 18462 7075 1 10 . 1 1 519 519 GLU HA H 519 4.042 4.042 4.142 -0.100 18462 7076 1 10 . 1 1 519 519 GLU C C 519 175.353 175.353 176.390 -1.037 18462 7077 1 10 . 1 1 519 519 GLU CA C 519 58.758 58.758 58.110 0.648 18462 7078 1 10 . 1 1 519 519 GLU CB C 519 29.695 29.695 29.963 -0.268 18462 7079 1 10 . 1 1 519 519 GLU H H 519 7.828 7.828 7.861 -0.033 18462 7080 1 10 . 1 1 520 520 LYS N N 520 118.358 118.358 119.742 -1.384 18462 7081 1 10 . 1 1 520 520 LYS HA H 520 4.544 4.544 4.384 0.160 18462 7082 1 10 . 1 1 520 520 LYS C C 520 178.036 178.036 174.784 3.252 18462 7083 1 10 . 1 1 520 520 LYS CA C 520 53.845 53.845 54.934 -1.089 18462 7084 1 10 . 1 1 520 520 LYS CB C 520 34.385 34.385 34.357 0.028 18462 7085 1 10 . 1 1 520 520 LYS H H 520 9.085 9.085 7.968 1.117 18462 7086 1 10 . 1 1 521 521 LYS N N 521 118.859 118.859 121.993 -3.134 18462 7087 1 10 . 1 1 521 521 LYS HA H 521 4.658 4.658 4.584 0.074 18462 7088 1 10 . 1 1 521 521 LYS C C 521 175.168 175.168 176.000 -0.832 18462 7089 1 10 . 1 1 521 521 LYS CA C 521 54.537 54.537 54.380 0.157 18462 7090 1 10 . 1 1 521 521 LYS CB C 521 35.323 35.323 33.145 2.178 18462 7091 1 10 . 1 1 521 521 LYS H H 521 8.238 8.238 8.258 -0.020 18462 7092 1 10 . 1 1 522 522 TYR N N 522 117.305 117.305 121.653 -4.348 18462 7093 1 10 . 1 1 522 522 TYR HA H 522 5.028 5.028 4.890 0.138 18462 7094 1 10 . 1 1 522 522 TYR C C 522 175.016 175.016 174.203 0.813 18462 7095 1 10 . 1 1 522 522 TYR CA C 522 54.537 54.537 55.224 -0.687 18462 7096 1 10 . 1 1 522 522 TYR CB C 522 37.198 37.198 38.824 -1.626 18462 7097 1 10 . 1 1 522 522 TYR H H 522 7.788 7.788 8.505 -0.717 18462 7098 1 10 . 1 1 523 523 PRO HA H 523 5.026 5.026 5.068 -0.042 18462 7099 1 10 . 1 1 523 523 PRO CA C 523 61.806 61.806 62.360 -0.554 18462 7100 1 10 . 1 1 523 523 PRO CB C 523 31.839 31.839 32.325 -0.486 18462 7101 1 10 . 1 1 524 524 CYS N N 524 126.569 126.569 124.410 2.159 18462 7102 1 10 . 1 1 524 524 CYS HA H 524 4.739 4.739 4.659 0.080 18462 7103 1 10 . 1 1 524 524 CYS C C 524 176.841 176.841 176.350 0.491 18462 7104 1 10 . 1 1 524 524 CYS CA C 524 60.290 60.290 57.957 2.333 18462 7105 1 10 . 1 1 524 524 CYS CB C 524 29.344 29.344 29.874 -0.530 18462 7106 1 10 . 1 1 524 524 CYS H H 524 9.210 9.210 8.846 0.364 18462 7107 1 10 . 1 1 525 525 ARG N N 525 130.294 130.294 125.604 4.690 18462 7108 1 10 . 1 1 525 525 ARG HA H 525 4.285 4.285 4.182 0.103 18462 7109 1 10 . 1 1 525 525 ARG C C 525 176.390 176.390 177.086 -0.696 18462 7110 1 10 . 1 1 525 525 ARG CA C 525 58.043 58.043 57.948 0.095 18462 7111 1 10 . 1 1 525 525 ARG CB C 525 27.576 27.576 30.114 -2.538 18462 7112 1 10 . 1 1 525 525 ARG H H 525 9.724 9.724 9.374 0.350 18462 7113 1 10 . 1 1 526 526 TYR N N 526 122.622 122.622 118.874 3.748 18462 7114 1 10 . 1 1 526 526 TYR HA H 526 4.517 4.517 4.363 0.154 18462 7115 1 10 . 1 1 526 526 TYR C C 526 176.659 176.659 175.867 0.792 18462 7116 1 10 . 1 1 526 526 TYR CA C 526 58.054 58.054 58.356 -0.302 18462 7117 1 10 . 1 1 526 526 TYR CB C 526 37.628 37.628 38.239 -0.612 18462 7118 1 10 . 1 1 526 526 TYR H H 526 10.439 10.439 7.982 2.457 18462 7119 1 10 . 1 1 527 527 CYS N N 527 122.873 122.873 116.383 6.490 18462 7120 1 10 . 1 1 527 527 CYS HA H 527 5.153 5.153 4.925 0.228 18462 7121 1 10 . 1 1 527 527 CYS C C 527 175.243 175.243 175.265 -0.022 18462 7122 1 10 . 1 1 527 527 CYS CA C 527 58.148 58.148 56.290 1.858 18462 7123 1 10 . 1 1 527 527 CYS CB C 527 30.164 30.164 31.628 -1.464 18462 7124 1 10 . 1 1 527 527 CYS H H 527 8.462 8.462 7.735 0.727 18462 7125 1 10 . 1 1 528 528 GLU N N 528 115.906 115.906 119.152 -3.246 18462 7126 1 10 . 1 1 528 528 GLU HA H 528 4.453 4.453 4.158 0.295 18462 7127 1 10 . 1 1 528 528 GLU C C 528 173.484 173.484 175.521 -2.037 18462 7128 1 10 . 1 1 528 528 GLU CA C 528 57.390 57.390 56.430 0.960 18462 7129 1 10 . 1 1 528 528 GLU CB C 528 29.608 29.608 27.955 1.653 18462 7130 1 10 . 1 1 528 528 GLU H H 528 8.704 8.704 8.680 0.024 18462 7131 1 10 . 1 1 529 529 LYS N N 529 125.068 125.068 121.422 3.646 18462 7132 1 10 . 1 1 529 529 LYS HA H 529 4.041 4.041 4.323 -0.282 18462 7133 1 10 . 1 1 529 529 LYS C C 529 176.881 176.881 174.661 2.220 18462 7134 1 10 . 1 1 529 529 LYS CA C 529 57.585 57.585 56.183 1.402 18462 7135 1 10 . 1 1 529 529 LYS CB C 529 33.212 33.212 33.725 -0.513 18462 7136 1 10 . 1 1 529 529 LYS H H 529 8.696 8.696 7.491 1.205 18462 7137 1 10 . 1 1 530 530 VAL N N 530 119.525 119.525 123.139 -3.614 18462 7138 1 10 . 1 1 530 530 VAL HA H 530 4.541 4.541 4.521 0.020 18462 7139 1 10 . 1 1 530 530 VAL C C 530 175.118 175.118 175.622 -0.504 18462 7140 1 10 . 1 1 530 530 VAL CA C 530 60.633 60.633 61.199 -0.566 18462 7141 1 10 . 1 1 530 530 VAL CB C 530 34.150 34.150 33.877 0.273 18462 7142 1 10 . 1 1 530 530 VAL H H 530 8.054 8.054 8.212 -0.158 18462 7143 1 10 . 1 1 531 531 PHE N N 531 122.568 122.568 126.054 -3.486 18462 7144 1 10 . 1 1 531 531 PHE C C 531 174.185 174.185 174.619 -0.434 18462 7145 1 10 . 1 1 531 531 PHE CA C 531 55.586 55.586 55.286 0.300 18462 7146 1 10 . 1 1 531 531 PHE CB C 531 41.184 41.184 40.728 0.456 18462 7147 1 10 . 1 1 531 531 PHE H H 531 8.167 8.167 8.879 -0.712 18462 7148 1 10 . 1 1 532 532 PRO HA H 532 4.359 4.359 3.955 0.404 18462 7149 1 10 . 1 1 532 532 PRO CA C 532 62.216 62.216 62.915 -0.699 18462 7150 1 10 . 1 1 532 532 PRO CB C 532 29.930 29.930 31.756 -1.826 18462 7151 1 10 . 1 1 533 533 LEU N N 533 122.335 122.335 117.939 4.396 18462 7152 1 10 . 1 1 533 533 LEU HA H 533 4.086 4.086 4.123 -0.037 18462 7153 1 10 . 1 1 533 533 LEU C C 533 175.091 175.091 176.580 -1.489 18462 7154 1 10 . 1 1 533 533 LEU CA C 533 55.006 55.006 53.061 1.945 18462 7155 1 10 . 1 1 533 533 LEU CB C 533 43.529 43.529 44.515 -0.986 18462 7156 1 10 . 1 1 533 533 LEU H H 533 6.587 6.587 7.379 -0.792 18462 7157 1 10 . 1 1 534 534 ALA N N 534 126.722 126.722 125.115 1.607 18462 7158 1 10 . 1 1 534 534 ALA HA H 534 2.993 2.993 3.365 -0.372 18462 7159 1 10 . 1 1 534 534 ALA C C 534 175.439 175.439 178.833 -3.394 18462 7160 1 10 . 1 1 534 534 ALA CA C 534 54.537 54.537 54.597 -0.060 18462 7161 1 10 . 1 1 534 534 ALA CB C 534 18.452 18.452 17.303 1.149 18462 7162 1 10 . 1 1 534 534 ALA H H 534 7.698 7.698 7.987 -0.289 18462 7163 1 10 . 1 1 535 535 GLU N N 535 119.354 119.354 118.958 0.396 18462 7164 1 10 . 1 1 535 535 GLU HA H 535 4.675 4.675 4.039 0.636 18462 7165 1 10 . 1 1 535 535 GLU C C 535 180.126 180.126 178.256 1.870 18462 7166 1 10 . 1 1 535 535 GLU CA C 535 58.526 58.526 59.085 -0.559 18462 7167 1 10 . 1 1 535 535 GLU H H 535 9.535 9.535 8.735 0.800 18462 7168 1 10 . 1 1 536 536 TYR N N 536 114.592 114.592 120.129 -5.537 18462 7169 1 10 . 1 1 536 536 TYR HA H 536 4.368 4.368 4.151 0.217 18462 7170 1 10 . 1 1 536 536 TYR C C 536 178.004 178.004 177.948 0.056 18462 7171 1 10 . 1 1 536 536 TYR CA C 536 56.179 56.179 58.151 -1.972 18462 7172 1 10 . 1 1 536 536 TYR CB C 536 35.556 35.556 37.101 -1.545 18462 7173 1 10 . 1 1 536 536 TYR H H 536 6.552 6.552 7.933 -1.381 18462 7174 1 10 . 1 1 537 537 ARG N N 537 119.820 119.820 119.665 0.155 18462 7175 1 10 . 1 1 537 537 ARG HA H 537 3.209 3.209 3.259 -0.050 18462 7176 1 10 . 1 1 537 537 ARG C C 537 179.469 179.469 178.079 1.390 18462 7177 1 10 . 1 1 537 537 ARG CA C 537 59.131 59.131 59.978 -0.847 18462 7178 1 10 . 1 1 537 537 ARG CB C 537 27.179 27.179 29.861 -2.682 18462 7179 1 10 . 1 1 537 537 ARG H H 537 7.016 7.016 7.306 -0.290 18462 7180 1 10 . 1 1 538 538 THR N N 538 120.080 120.080 116.878 3.202 18462 7181 1 10 . 1 1 538 538 THR HA H 538 3.939 3.939 4.045 -0.106 18462 7182 1 10 . 1 1 538 538 THR C C 538 177.538 177.538 176.908 0.630 18462 7183 1 10 . 1 1 538 538 THR CA C 538 66.026 66.026 67.089 -1.063 18462 7184 1 10 . 1 1 538 538 THR CB C 538 66.964 66.964 68.374 -1.410 18462 7185 1 10 . 1 1 538 538 THR H H 538 8.410 8.410 8.210 0.200 18462 7186 1 10 . 1 1 539 539 LYS N N 539 117.252 117.252 119.897 -2.645 18462 7187 1 10 . 1 1 539 539 LYS HA H 539 4.054 4.054 4.117 -0.063 18462 7188 1 10 . 1 1 539 539 LYS C C 539 176.139 176.139 178.964 -2.825 18462 7189 1 10 . 1 1 539 539 LYS CA C 539 57.116 57.116 58.389 -1.273 18462 7190 1 10 . 1 1 539 539 LYS CB C 539 31.859 31.859 31.795 0.064 18462 7191 1 10 . 1 1 539 539 LYS H H 539 8.012 8.012 8.256 -0.244 18462 7192 1 10 . 1 1 540 540 HIS N N 540 118.983 118.983 120.475 -1.492 18462 7193 1 10 . 1 1 540 540 HIS HA H 540 4.548 4.548 4.386 0.162 18462 7194 1 10 . 1 1 540 540 HIS C C 540 179.568 179.568 177.668 1.900 18462 7195 1 10 . 1 1 540 540 HIS CA C 540 58.758 58.758 59.448 -0.690 18462 7196 1 10 . 1 1 540 540 HIS CB C 540 28.260 28.260 29.934 -1.674 18462 7197 1 10 . 1 1 540 540 HIS H H 540 7.536 7.536 7.971 -0.435 18462 7198 1 10 . 1 1 541 541 GLU N N 541 122.073 122.073 119.615 2.458 18462 7199 1 10 . 1 1 541 541 GLU HA H 541 4.215 4.215 4.324 -0.109 18462 7200 1 10 . 1 1 541 541 GLU C C 541 177.829 177.829 178.927 -1.098 18462 7201 1 10 . 1 1 541 541 GLU CA C 541 61.181 61.181 59.238 1.943 18462 7202 1 10 . 1 1 541 541 GLU CB C 541 29.712 29.712 29.829 -0.117 18462 7203 1 10 . 1 1 541 541 GLU H H 541 9.540 9.540 8.473 1.067 18462 7204 1 10 . 1 1 542 542 ILE N N 542 121.307 121.307 119.545 1.762 18462 7205 1 10 . 1 1 542 542 ILE HA H 542 4.335 4.335 3.812 0.523 18462 7206 1 10 . 1 1 542 542 ILE C C 542 179.666 179.666 177.769 1.897 18462 7207 1 10 . 1 1 542 542 ILE CA C 542 61.806 61.806 65.174 -3.368 18462 7208 1 10 . 1 1 542 542 ILE CB C 542 36.729 36.729 38.087 -1.358 18462 7209 1 10 . 1 1 542 542 ILE H H 542 8.275 8.275 8.591 -0.316 18462 7210 1 10 . 1 1 543 543 HIS N N 543 118.514 118.514 118.005 0.509 18462 7211 1 10 . 1 1 543 543 HIS HA H 543 4.257 4.257 4.304 -0.047 18462 7212 1 10 . 1 1 543 543 HIS C C 543 178.283 178.283 177.119 1.164 18462 7213 1 10 . 1 1 543 543 HIS CA C 543 58.758 58.758 58.771 -0.013 18462 7214 1 10 . 1 1 543 543 HIS CB C 543 26.882 26.882 29.955 -3.073 18462 7215 1 10 . 1 1 543 543 HIS H H 543 7.744 7.744 7.621 0.123 18462 7216 1 10 . 1 1 544 544 HIS N N 544 115.805 115.805 116.633 -0.828 18462 7217 1 10 . 1 1 544 544 HIS HA H 544 4.317 4.317 4.356 -0.040 18462 7218 1 10 . 1 1 544 544 HIS C C 544 178.058 178.058 176.818 1.240 18462 7219 1 10 . 1 1 544 544 HIS CA C 544 58.054 58.054 58.734 -0.680 18462 7220 1 10 . 1 1 544 544 HIS CB C 544 36.882 36.882 29.973 6.909 18462 7221 1 10 . 1 1 544 544 HIS H H 544 7.537 7.537 7.501 0.036 18462 7222 1 10 . 1 1 545 545 THR N N 545 109.469 109.469 110.543 -1.074 18462 7223 1 10 . 1 1 545 545 THR HA H 545 4.184 4.184 4.150 0.034 18462 7224 1 10 . 1 1 545 545 THR C C 545 177.277 177.277 175.797 1.480 18462 7225 1 10 . 1 1 545 545 THR CA C 545 62.509 62.509 63.097 -0.588 18462 7226 1 10 . 1 1 545 545 THR CB C 545 68.839 68.839 69.362 -0.523 18462 7227 1 10 . 1 1 545 545 THR H H 545 7.991 7.991 7.972 0.019 18462 7228 1 10 . 1 1 546 546 GLY N N 546 113.407 113.407 110.378 3.029 18462 7229 1 10 . 1 1 546 546 GLY C C 546 177.501 177.501 174.051 3.450 18462 7230 1 10 . 1 1 546 546 GLY CA C 546 44.935 44.935 45.379 -0.444 18462 7231 1 10 . 1 1 546 546 GLY H H 546 8.530 8.530 7.821 0.709 18462 7232 1 10 . 1 1 547 547 GLU N N 547 123.901 123.901 120.917 2.984 18462 7233 1 10 . 1 1 547 547 GLU HA H 547 3.913 3.913 4.057 -0.144 18462 7234 1 10 . 1 1 547 547 GLU C C 547 173.687 173.687 176.216 -2.529 18462 7235 1 10 . 1 1 547 547 GLU CA C 547 56.413 56.413 56.641 -0.228 18462 7236 1 10 . 1 1 547 547 GLU CB C 547 29.123 29.123 29.496 -0.373 18462 7237 1 10 . 1 1 547 547 GLU H H 547 7.301 7.301 7.655 -0.354 18462 7238 1 10 . 1 1 548 548 ARG N N 548 128.505 128.505 127.985 0.520 18462 7239 1 10 . 1 1 548 548 ARG HA H 548 4.444 4.444 4.497 -0.053 18462 7240 1 10 . 1 1 548 548 ARG C C 548 175.180 175.180 176.034 -0.854 18462 7241 1 10 . 1 1 548 548 ARG CA C 548 55.059 55.059 56.294 -1.235 18462 7242 1 10 . 1 1 548 548 ARG CB C 548 29.227 29.227 29.776 -0.550 18462 7243 1 10 . 1 1 548 548 ARG H H 548 8.752 8.752 8.110 0.642 18462 7244 1 10 . 1 1 549 549 ARG N N 549 121.815 121.815 121.175 0.640 18462 7245 1 10 . 1 1 549 549 ARG HA H 549 4.205 4.205 4.368 -0.163 18462 7246 1 10 . 1 1 549 549 ARG C C 549 175.850 175.850 176.684 -0.834 18462 7247 1 10 . 1 1 549 549 ARG CA C 549 57.350 57.350 57.641 -0.291 18462 7248 1 10 . 1 1 549 549 ARG CB C 549 32.980 32.980 31.358 1.622 18462 7249 1 10 . 1 1 549 549 ARG H H 549 9.440 9.440 8.241 1.199 18462 7250 1 10 . 1 1 550 550 TYR N N 550 116.087 116.087 120.277 -4.190 18462 7251 1 10 . 1 1 550 550 TYR C C 550 176.129 176.129 175.022 1.107 18462 7252 1 10 . 1 1 550 550 TYR CA C 550 58.169 58.169 57.652 0.517 18462 7253 1 10 . 1 1 550 550 TYR CB C 550 38.994 38.994 36.641 2.353 18462 7254 1 10 . 1 1 550 550 TYR H H 550 8.287 8.287 8.599 -0.312 18462 7255 1 10 . 1 1 551 551 GLN N N 551 125.096 125.096 123.909 1.187 18462 7256 1 10 . 1 1 551 551 GLN HA H 551 5.275 5.275 4.592 0.683 18462 7257 1 10 . 1 1 551 551 GLN C C 551 175.080 175.080 174.613 0.467 18462 7258 1 10 . 1 1 551 551 GLN CA C 551 53.610 53.610 55.178 -1.568 18462 7259 1 10 . 1 1 551 551 GLN CB C 551 31.152 31.152 30.685 0.467 18462 7260 1 10 . 1 1 551 551 GLN H H 551 9.656 9.656 9.035 0.621 18462 7261 1 10 . 1 1 552 552 CYS N N 552 128.697 128.697 127.943 0.754 18462 7262 1 10 . 1 1 552 552 CYS HA H 552 4.584 4.584 4.999 -0.415 18462 7263 1 10 . 1 1 552 552 CYS C C 552 175.231 175.231 176.047 -0.816 18462 7264 1 10 . 1 1 552 552 CYS CA C 552 59.461 59.461 58.417 1.044 18462 7265 1 10 . 1 1 552 552 CYS CB C 552 29.695 29.695 26.139 3.556 18462 7266 1 10 . 1 1 552 552 CYS H H 552 9.427 9.427 8.912 0.515 18462 7267 1 10 . 1 1 553 553 LEU N N 553 130.168 130.168 128.678 1.490 18462 7268 1 10 . 1 1 553 553 LEU HA H 553 4.396 4.396 4.135 0.261 18462 7269 1 10 . 1 1 553 553 LEU C C 553 177.402 177.402 177.804 -0.402 18462 7270 1 10 . 1 1 553 553 LEU CA C 553 55.710 55.710 57.277 -1.567 18462 7271 1 10 . 1 1 553 553 LEU CB C 553 40.246 40.246 41.554 -1.308 18462 7272 1 10 . 1 1 553 553 LEU H H 553 8.632 8.632 8.949 -0.317 18462 7273 1 10 . 1 1 554 554 ALA N N 554 125.048 125.048 121.539 3.509 18462 7274 1 10 . 1 1 554 554 ALA HA H 554 4.295 4.295 4.020 0.275 18462 7275 1 10 . 1 1 554 554 ALA C C 554 177.657 177.657 178.326 -0.669 18462 7276 1 10 . 1 1 554 554 ALA CA C 554 53.610 53.610 54.306 -0.696 18462 7277 1 10 . 1 1 554 554 ALA CB C 554 16.577 16.577 18.797 -2.220 18462 7278 1 10 . 1 1 554 554 ALA H H 554 8.847 8.847 8.396 0.451 18462 7279 1 10 . 1 1 555 555 CYS N N 555 113.388 113.388 112.532 0.856 18462 7280 1 10 . 1 1 555 555 CYS HA H 555 5.299 5.299 5.040 0.259 18462 7281 1 10 . 1 1 555 555 CYS C C 555 178.854 178.854 176.383 2.471 18462 7282 1 10 . 1 1 555 555 CYS CA C 555 57.820 57.820 58.122 -0.302 18462 7283 1 10 . 1 1 555 555 CYS CB C 555 31.665 31.665 30.010 1.655 18462 7284 1 10 . 1 1 555 555 CYS H H 555 8.146 8.146 8.122 0.024 18462 7285 1 10 . 1 1 556 556 GLY N N 556 114.264 114.264 110.848 3.416 18462 7286 1 10 . 1 1 556 556 GLY C C 556 176.084 176.084 173.799 2.285 18462 7287 1 10 . 1 1 556 556 GLY CA C 556 45.639 45.639 44.993 0.646 18462 7288 1 10 . 1 1 556 556 GLY H H 556 8.104 8.104 8.741 -0.637 18462 7289 1 10 . 1 1 557 557 LYS N N 557 123.318 123.318 122.559 0.759 18462 7290 1 10 . 1 1 557 557 LYS HA H 557 4.110 4.110 4.070 0.040 18462 7291 1 10 . 1 1 557 557 LYS C C 557 174.300 174.300 175.713 -1.413 18462 7292 1 10 . 1 1 557 557 LYS CA C 557 57.585 57.585 56.470 1.115 18462 7293 1 10 . 1 1 557 557 LYS CB C 557 33.447 33.447 32.687 0.760 18462 7294 1 10 . 1 1 557 557 LYS H H 557 8.043 8.043 7.644 0.399 18462 7295 1 10 . 1 1 558 558 SER N N 558 115.947 115.947 118.795 -2.848 18462 7296 1 10 . 1 1 558 558 SER HA H 558 5.661 5.661 5.140 0.521 18462 7297 1 10 . 1 1 558 558 SER C C 558 174.321 174.321 173.372 0.949 18462 7298 1 10 . 1 1 558 558 SER CA C 558 56.179 56.179 57.089 -0.910 18462 7299 1 10 . 1 1 558 558 SER CB C 558 65.088 65.088 64.966 0.122 18462 7300 1 10 . 1 1 558 558 SER H H 558 7.864 7.864 8.361 -0.497 18462 7301 1 10 . 1 1 559 559 PHE N N 559 117.815 117.815 121.948 -4.133 18462 7302 1 10 . 1 1 559 559 PHE HA H 559 4.781 4.781 4.869 -0.088 18462 7303 1 10 . 1 1 559 559 PHE C C 559 173.632 173.632 175.939 -2.307 18462 7304 1 10 . 1 1 559 559 PHE CA C 559 56.687 56.687 57.050 -0.363 18462 7305 1 10 . 1 1 559 559 PHE CB C 559 44.232 44.232 42.126 2.106 18462 7306 1 10 . 1 1 559 559 PHE H H 559 9.488 9.488 9.185 0.303 18462 7307 1 10 . 1 1 560 560 ILE N N 560 118.092 118.092 120.279 -2.187 18462 7308 1 10 . 1 1 560 560 ILE HA H 560 4.470 4.470 4.236 0.234 18462 7309 1 10 . 1 1 560 560 ILE C C 560 175.986 175.986 174.649 1.337 18462 7310 1 10 . 1 1 560 560 ILE CA C 560 62.040 62.040 62.815 -0.774 18462 7311 1 10 . 1 1 560 560 ILE CB C 560 39.308 39.308 38.518 0.790 18462 7312 1 10 . 1 1 560 560 ILE H H 560 9.306 9.306 8.826 0.480 18462 7313 1 10 . 1 1 561 561 ASN N N 561 114.751 114.751 112.165 2.586 18462 7314 1 10 . 1 1 561 561 ASN HA H 561 4.683 4.683 4.680 0.003 18462 7315 1 10 . 1 1 561 561 ASN C C 561 175.350 175.350 174.148 1.202 18462 7316 1 10 . 1 1 561 561 ASN CA C 561 50.797 50.797 51.331 -0.534 18462 7317 1 10 . 1 1 561 561 ASN CB C 561 39.777 39.777 39.969 -0.192 18462 7318 1 10 . 1 1 561 561 ASN H H 561 7.387 7.387 7.550 -0.163 18462 7319 1 10 . 1 1 562 562 TYR N N 562 118.833 118.833 120.943 -2.110 18462 7320 1 10 . 1 1 562 562 TYR C C 562 172.730 172.730 176.619 -3.889 18462 7321 1 10 . 1 1 562 562 TYR CA C 562 59.907 59.907 62.466 -2.559 18462 7322 1 10 . 1 1 562 562 TYR CB C 562 38.480 38.480 38.381 0.099 18462 7323 1 10 . 1 1 562 562 TYR H H 562 8.243 8.243 8.692 -0.449 18462 7324 1 10 . 1 1 563 563 GLN N N 563 119.525 119.525 117.896 1.629 18462 7325 1 10 . 1 1 563 563 GLN HA H 563 3.720 3.720 3.897 -0.177 18462 7326 1 10 . 1 1 563 563 GLN C C 563 176.326 176.326 178.292 -1.966 18462 7327 1 10 . 1 1 563 563 GLN CA C 563 61.102 61.102 59.715 1.387 18462 7328 1 10 . 1 1 563 563 GLN CB C 563 25.450 25.450 27.711 -2.261 18462 7329 1 10 . 1 1 563 563 GLN H H 563 8.524 8.524 8.386 0.138 18462 7330 1 10 . 1 1 564 564 PHE N N 564 118.625 118.625 119.543 -0.918 18462 7331 1 10 . 1 1 564 564 PHE HA H 564 4.427 4.427 4.115 0.312 18462 7332 1 10 . 1 1 564 564 PHE C C 564 179.429 179.429 177.492 1.937 18462 7333 1 10 . 1 1 564 564 PHE CA C 564 59.461 59.461 60.190 -0.729 18462 7334 1 10 . 1 1 564 564 PHE CB C 564 38.488 38.488 38.569 -0.081 18462 7335 1 10 . 1 1 564 564 PHE H H 564 8.904 8.904 8.866 0.038 18462 7336 1 10 . 1 1 565 565 MET N N 565 120.996 120.996 120.333 0.663 18462 7337 1 10 . 1 1 565 565 MET HA H 565 3.720 3.720 3.108 0.612 18462 7338 1 10 . 1 1 565 565 MET C C 565 178.642 178.642 177.727 0.915 18462 7339 1 10 . 1 1 565 565 MET CA C 565 58.037 58.037 59.410 -1.373 18462 7340 1 10 . 1 1 565 565 MET H H 565 7.153 7.153 7.794 -0.641 18462 7341 1 10 . 1 1 566 566 SER N N 566 115.706 115.706 113.959 1.747 18462 7342 1 10 . 1 1 566 566 SER HA H 566 3.720 3.720 3.754 -0.034 18462 7343 1 10 . 1 1 566 566 SER C C 566 176.710 176.710 176.532 0.178 18462 7344 1 10 . 1 1 566 566 SER CA C 566 60.633 60.633 61.255 -0.622 18462 7345 1 10 . 1 1 566 566 SER CB C 566 62.040 62.040 62.314 -0.274 18462 7346 1 10 . 1 1 566 566 SER H H 566 8.918 8.918 8.099 0.819 18462 7347 1 10 . 1 1 567 567 SER N N 567 114.335 114.335 117.273 -2.938 18462 7348 1 10 . 1 1 567 567 SER HA H 567 4.212 4.212 3.998 0.214 18462 7349 1 10 . 1 1 567 567 SER C C 567 176.849 176.849 176.621 0.228 18462 7350 1 10 . 1 1 567 567 SER CA C 567 60.868 60.868 61.354 -0.486 18462 7351 1 10 . 1 1 567 567 SER CB C 567 61.806 61.806 63.063 -1.257 18462 7352 1 10 . 1 1 567 567 SER H H 567 7.933 7.933 7.581 0.352 18462 7353 1 10 . 1 1 568 568 HIS N N 568 120.659 120.659 122.415 -1.756 18462 7354 1 10 . 1 1 568 568 HIS HA H 568 4.327 4.327 4.317 0.010 18462 7355 1 10 . 1 1 568 568 HIS C C 568 177.652 177.652 177.536 0.116 18462 7356 1 10 . 1 1 568 568 HIS CA C 568 58.992 58.992 59.288 -0.296 18462 7357 1 10 . 1 1 568 568 HIS CB C 568 27.234 27.234 29.372 -2.139 18462 7358 1 10 . 1 1 568 568 HIS H H 568 7.594 7.594 8.056 -0.462 18462 7359 1 10 . 1 1 569 569 ILE N N 569 120.858 120.858 120.299 0.559 18462 7360 1 10 . 1 1 569 569 ILE HA H 569 3.562 3.562 3.585 -0.023 18462 7361 1 10 . 1 1 569 569 ILE C C 569 175.925 175.925 177.904 -1.979 18462 7362 1 10 . 1 1 569 569 ILE CA C 569 66.729 66.729 65.424 1.305 18462 7363 1 10 . 1 1 569 569 ILE CB C 569 37.198 37.198 37.887 -0.689 18462 7364 1 10 . 1 1 569 569 ILE H H 569 8.640 8.640 8.354 0.286 18462 7365 1 10 . 1 1 570 570 LYS N N 570 118.876 118.876 119.074 -0.198 18462 7366 1 10 . 1 1 570 570 LYS HA H 570 4.329 4.329 4.002 0.327 18462 7367 1 10 . 1 1 570 570 LYS C C 570 178.927 178.927 179.489 -0.562 18462 7368 1 10 . 1 1 570 570 LYS CA C 570 59.461 59.461 59.588 -0.127 18462 7369 1 10 . 1 1 570 570 LYS CB C 570 32.743 32.743 32.576 0.167 18462 7370 1 10 . 1 1 570 570 LYS H H 570 8.463 8.463 8.305 0.158 18462 7371 1 10 . 1 1 571 571 SER N N 571 112.612 112.612 114.773 -2.161 18462 7372 1 10 . 1 1 571 571 SER HA H 571 4.323 4.323 4.262 0.061 18462 7373 1 10 . 1 1 571 571 SER C C 571 179.258 179.258 175.742 3.516 18462 7374 1 10 . 1 1 571 571 SER CA C 571 59.930 59.930 61.252 -1.322 18462 7375 1 10 . 1 1 571 571 SER CB C 571 62.978 62.978 63.490 -0.512 18462 7376 1 10 . 1 1 571 571 SER H H 571 7.997 7.997 7.928 0.069 18462 7377 1 10 . 1 1 572 572 VAL N N 572 120.208 120.208 121.436 -1.228 18462 7378 1 10 . 1 1 572 572 VAL HA H 572 3.789 3.789 3.836 -0.047 18462 7379 1 10 . 1 1 572 572 VAL C C 572 176.245 176.245 177.105 -0.860 18462 7380 1 10 . 1 1 572 572 VAL CA C 572 63.916 63.916 64.609 -0.693 18462 7381 1 10 . 1 1 572 572 VAL CB C 572 31.337 31.337 32.120 -0.782 18462 7382 1 10 . 1 1 572 572 VAL H H 572 8.615 8.615 8.093 0.522 18462 7383 1 10 . 1 1 573 573 HIS N N 573 113.735 113.735 116.934 -3.199 18462 7384 1 10 . 1 1 573 573 HIS HA H 573 5.102 5.102 4.768 0.334 18462 7385 1 10 . 1 1 573 573 HIS C C 573 177.042 177.042 175.262 1.780 18462 7386 1 10 . 1 1 573 573 HIS CA C 573 53.376 53.376 56.151 -2.775 18462 7387 1 10 . 1 1 573 573 HIS CB C 573 28.210 28.210 30.907 -2.696 18462 7388 1 10 . 1 1 573 573 HIS H H 573 7.067 7.067 7.476 -0.409 18462 7389 1 10 . 1 1 574 574 SER N N 574 112.537 112.537 112.430 0.107 18462 7390 1 10 . 1 1 574 574 SER HA H 574 4.421 4.421 4.172 0.249 18462 7391 1 10 . 1 1 574 574 SER C C 574 174.525 174.525 174.262 0.263 18462 7392 1 10 . 1 1 574 574 SER CA C 574 58.054 58.054 59.571 -1.517 18462 7393 1 10 . 1 1 574 574 SER CB C 574 61.102 61.102 60.834 0.268 18462 7394 1 10 . 1 1 574 574 SER H H 574 7.325 7.325 8.125 -0.800 18462 7395 1 10 . 1 1 575 575 GLN N N 575 117.032 117.032 119.204 -2.172 18462 7396 1 10 . 1 1 575 575 GLN HA H 575 4.659 4.659 4.465 0.194 18462 7397 1 10 . 1 1 575 575 GLN C C 575 173.993 173.993 173.966 0.027 18462 7398 1 10 . 1 1 575 575 GLN CA C 575 53.376 53.376 54.556 -1.180 18462 7399 1 10 . 1 1 575 575 GLN CB C 575 32.743 32.743 32.273 0.470 18462 7400 1 10 . 1 1 575 575 GLN H H 575 7.480 7.480 7.079 0.401 18462 7401 1 10 . 1 1 576 576 ASP N N 576 118.953 118.953 120.280 -1.327 18462 7402 1 10 . 1 1 576 576 ASP HA H 576 4.992 4.992 4.922 0.070 18462 7403 1 10 . 1 1 576 576 ASP C C 576 173.387 173.387 175.567 -2.180 18462 7404 1 10 . 1 1 576 576 ASP CA C 576 50.094 50.094 50.336 -0.242 18462 7405 1 10 . 1 1 576 576 ASP CB C 576 41.301 41.301 41.677 -0.376 18462 7406 1 10 . 1 1 576 576 ASP H H 576 8.173 8.173 8.571 -0.398 18462 7407 1 10 . 1 1 577 577 PRO HA H 577 4.629 4.629 4.914 -0.285 18462 7408 1 10 . 1 1 577 577 PRO CA C 577 63.212 63.212 63.592 -0.380 18462 7409 1 10 . 1 1 577 577 PRO CB C 577 31.806 31.806 32.365 -0.559 18462 7410 1 10 . 1 1 578 578 SER N N 578 114.986 114.986 117.175 -2.189 18462 7411 1 10 . 1 1 578 578 SER HA H 578 4.820 4.820 4.318 0.502 18462 7412 1 10 . 1 1 578 578 SER C C 578 176.301 176.301 175.262 1.039 18462 7413 1 10 . 1 1 578 578 SER CA C 578 58.054 58.054 60.739 -2.685 18462 7414 1 10 . 1 1 578 578 SER CB C 578 63.447 63.447 63.452 -0.005 18462 7415 1 10 . 1 1 578 578 SER H H 578 8.387 8.387 8.737 -0.350 18462 7416 1 10 . 1 1 579 579 GLY N N 579 111.279 111.279 107.595 3.684 18462 7417 1 10 . 1 1 579 579 GLY C C 579 175.262 175.262 172.169 3.093 18462 7418 1 10 . 1 1 579 579 GLY CA C 579 44.935 44.935 44.448 0.487 18462 7419 1 10 . 1 1 579 579 GLY H H 579 8.554 8.554 7.797 0.757 18462 7420 1 10 . 1 1 580 580 ASP N N 580 121.402 121.402 119.321 2.081 18462 7421 1 10 . 1 1 580 580 ASP HA H 580 4.700 4.700 4.442 0.258 18462 7422 1 10 . 1 1 580 580 ASP C C 580 174.329 174.329 176.319 -1.990 18462 7423 1 10 . 1 1 580 580 ASP CA C 580 53.845 53.845 54.073 -0.228 18462 7424 1 10 . 1 1 580 580 ASP CB C 580 40.012 40.012 39.449 0.563 18462 7425 1 10 . 1 1 580 580 ASP H H 580 8.386 8.386 8.399 -0.013 18462 7426 1 10 . 1 1 581 581 SER N N 581 115.668 115.668 117.773 -2.105 18462 7427 1 10 . 1 1 581 581 SER HA H 581 4.421 4.421 4.378 0.043 18462 7428 1 10 . 1 1 581 581 SER C C 581 176.108 176.108 173.912 2.196 18462 7429 1 10 . 1 1 581 581 SER CA C 581 58.054 58.054 58.532 -0.478 18462 7430 1 10 . 1 1 581 581 SER CB C 581 63.212 63.212 63.596 -0.384 18462 7431 1 10 . 1 1 581 581 SER H H 581 8.015 8.015 7.952 0.063 18462 7432 1 10 . 1 1 582 582 LYS N N 582 120.544 120.544 117.775 2.769 18462 7433 1 10 . 1 1 582 582 LYS HA H 582 4.329 4.329 3.836 0.493 18462 7434 1 10 . 1 1 582 582 LYS C C 582 174.302 174.302 175.409 -1.107 18462 7435 1 10 . 1 1 582 582 LYS CA C 582 55.944 55.944 57.534 -1.590 18462 7436 1 10 . 1 1 582 582 LYS CB C 582 30.868 30.868 29.893 0.975 18462 7437 1 10 . 1 1 582 582 LYS H H 582 8.453 8.453 7.675 0.778 18462 7438 1 10 . 1 1 583 583 LEU N N 583 119.514 119.514 114.730 4.784 18462 7439 1 10 . 1 1 583 583 LEU HA H 583 4.458 4.458 4.459 -0.001 18462 7440 1 10 . 1 1 583 583 LEU C C 583 176.924 176.924 176.116 0.808 18462 7441 1 10 . 1 1 583 583 LEU CA C 583 54.303 54.303 54.835 -0.532 18462 7442 1 10 . 1 1 583 583 LEU CB C 583 43.060 43.060 44.036 -0.976 18462 7443 1 10 . 1 1 583 583 LEU H H 583 8.391 8.391 7.892 0.499 18462 7444 1 10 . 1 1 584 584 TYR N N 584 115.291 115.291 114.045 1.246 18462 7445 1 10 . 1 1 584 584 TYR HA H 584 5.714 5.714 5.524 0.190 18462 7446 1 10 . 1 1 584 584 TYR C C 584 175.675 175.675 173.824 1.851 18462 7447 1 10 . 1 1 584 584 TYR CA C 584 54.303 54.303 55.749 -1.446 18462 7448 1 10 . 1 1 584 584 TYR CB C 584 42.420 42.420 41.817 0.603 18462 7449 1 10 . 1 1 584 584 TYR H H 584 7.625 7.625 7.101 0.524 18462 7450 1 10 . 1 1 585 585 ARG N N 585 120.321 120.321 121.350 -1.029 18462 7451 1 10 . 1 1 585 585 ARG HA H 585 4.407 4.407 4.652 -0.245 18462 7452 1 10 . 1 1 585 585 ARG C C 585 172.342 172.342 173.971 -1.629 18462 7453 1 10 . 1 1 585 585 ARG CA C 585 53.376 53.376 54.733 -1.357 18462 7454 1 10 . 1 1 585 585 ARG CB C 585 33.916 33.916 34.385 -0.469 18462 7455 1 10 . 1 1 585 585 ARG H H 585 9.141 9.141 8.960 0.181 18462 7456 1 10 . 1 1 586 586 LEU N N 586 129.013 129.013 128.256 0.757 18462 7457 1 10 . 1 1 586 586 LEU HA H 586 4.768 4.768 4.657 0.111 18462 7458 1 10 . 1 1 586 586 LEU C C 586 173.449 173.449 175.401 -1.952 18462 7459 1 10 . 1 1 586 586 LEU CA C 586 52.438 52.438 53.705 -1.267 18462 7460 1 10 . 1 1 586 586 LEU CB C 586 41.653 41.653 42.770 -1.117 18462 7461 1 10 . 1 1 586 586 LEU H H 586 8.581 8.581 8.729 -0.148 18462 7462 1 10 . 1 1 587 587 HIS N N 587 127.447 127.447 126.334 1.113 18462 7463 1 10 . 1 1 587 587 HIS HA H 587 4.650 4.650 4.928 -0.278 18462 7464 1 10 . 1 1 587 587 HIS C C 587 175.512 175.512 173.552 1.960 18462 7465 1 10 . 1 1 587 587 HIS CA C 587 55.544 55.544 55.076 0.468 18462 7466 1 10 . 1 1 587 587 HIS CB C 587 29.930 29.930 30.720 -0.790 18462 7467 1 10 . 1 1 587 587 HIS H H 587 9.132 9.132 8.882 0.250 18462 7468 1 10 . 1 1 588 588 PRO HA H 588 4.441 4.441 4.626 -0.185 18462 7469 1 10 . 1 1 588 588 PRO CA C 588 62.509 62.509 63.047 -0.538 18462 7470 1 10 . 1 1 588 588 PRO CB C 588 31.688 31.688 32.403 -0.715 18462 7471 1 10 . 1 1 589 589 CYS N N 589 124.057 124.057 121.469 2.588 18462 7472 1 10 . 1 1 589 589 CYS HA H 589 4.275 4.275 4.511 -0.236 18462 7473 1 10 . 1 1 589 589 CYS C C 589 174.401 174.401 175.165 -0.764 18462 7474 1 10 . 1 1 589 589 CYS CA C 589 58.289 58.289 57.768 0.521 18462 7475 1 10 . 1 1 589 589 CYS CB C 589 26.413 26.413 29.114 -2.701 18462 7476 1 10 . 1 1 589 589 CYS H H 589 9.475 9.475 8.799 0.676 18462 7477 1 10 . 1 1 590 590 ARG N N 590 130.942 130.942 127.672 3.270 18462 7478 1 10 . 1 1 590 590 ARG HA H 590 4.689 4.689 4.545 0.144 18462 7479 1 10 . 1 1 590 590 ARG C C 590 175.091 175.091 177.264 -2.173 18462 7480 1 10 . 1 1 590 590 ARG CA C 590 55.241 55.241 56.204 -0.963 18462 7481 1 10 . 1 1 590 590 ARG CB C 590 30.633 30.633 31.060 -0.427 18462 7482 1 10 . 1 1 590 590 ARG H H 590 7.227 7.227 9.152 -1.925 18462 7483 1 10 . 1 1 591 591 SER N N 591 117.243 117.243 116.786 0.457 18462 7484 1 10 . 1 1 591 591 SER HA H 591 4.342 4.342 4.341 0.001 18462 7485 1 10 . 1 1 591 591 SER C C 591 178.367 178.367 174.952 3.415 18462 7486 1 10 . 1 1 591 591 SER CA C 591 59.695 59.695 61.154 -1.459 18462 7487 1 10 . 1 1 591 591 SER CB C 591 61.923 61.923 64.105 -2.182 18462 7488 1 10 . 1 1 591 591 SER H H 591 9.571 9.571 8.891 0.680 18462 7489 1 10 . 1 1 592 592 LEU N N 592 121.308 121.308 118.198 3.110 18462 7490 1 10 . 1 1 592 592 LEU HA H 592 4.778 4.778 4.789 -0.011 18462 7491 1 10 . 1 1 592 592 LEU C C 592 173.260 173.260 175.267 -2.007 18462 7492 1 10 . 1 1 592 592 LEU CA C 592 52.846 52.846 53.698 -0.852 18462 7493 1 10 . 1 1 592 592 LEU CB C 592 45.404 45.404 43.438 1.966 18462 7494 1 10 . 1 1 592 592 LEU H H 592 7.369 7.369 7.334 0.035 18462 7495 1 10 . 1 1 593 593 GLN N N 593 122.109 122.109 119.845 2.264 18462 7496 1 10 . 1 1 593 593 GLN HA H 593 4.564 4.564 4.535 0.029 18462 7497 1 10 . 1 1 593 593 GLN C C 593 175.827 175.827 175.593 0.234 18462 7498 1 10 . 1 1 593 593 GLN CA C 593 54.303 54.303 55.785 -1.482 18462 7499 1 10 . 1 1 593 593 GLN CB C 593 26.882 26.882 28.138 -1.256 18462 7500 1 10 . 1 1 593 593 GLN H H 593 8.599 8.599 8.453 0.146 18462 7501 1 10 . 1 1 594 594 ILE N N 594 118.085 118.085 118.700 -0.615 18462 7502 1 10 . 1 1 594 594 ILE HA H 594 4.755 4.755 4.541 0.214 18462 7503 1 10 . 1 1 594 594 ILE C C 594 175.093 175.093 174.519 0.574 18462 7504 1 10 . 1 1 594 594 ILE CA C 594 58.831 58.831 59.343 -0.512 18462 7505 1 10 . 1 1 594 594 ILE CB C 594 42.591 42.591 40.720 1.871 18462 7506 1 10 . 1 1 594 594 ILE H H 594 7.635 7.635 7.964 -0.329 18462 7507 1 10 . 1 1 595 595 ARG N N 595 123.800 123.800 121.535 2.265 18462 7508 1 10 . 1 1 595 595 ARG HA H 595 4.038 4.038 4.297 -0.259 18462 7509 1 10 . 1 1 595 595 ARG C C 595 175.440 175.440 175.468 -0.028 18462 7510 1 10 . 1 1 595 595 ARG CA C 595 56.386 56.386 56.272 0.114 18462 7511 1 10 . 1 1 595 595 ARG CB C 595 30.516 30.516 30.749 -0.233 18462 7512 1 10 . 1 1 595 595 ARG H H 595 9.075 9.075 8.309 0.766 18462 7513 1 10 . 1 1 596 596 GLN N N 596 124.290 124.290 120.838 3.452 18462 7514 1 10 . 1 1 596 596 GLN HA H 596 4.420 4.420 4.316 0.104 18462 7515 1 10 . 1 1 596 596 GLN C C 596 174.630 174.630 174.657 -0.027 18462 7516 1 10 . 1 1 596 596 GLN CA C 596 52.907 52.907 54.421 -1.514 18462 7517 1 10 . 1 1 596 596 GLN CB C 596 30.164 30.164 30.868 -0.704 18462 7518 1 10 . 1 1 596 596 GLN H H 596 8.495 8.495 8.360 0.135 18462 7519 1 10 . 1 1 597 597 TYR N N 597 121.829 121.829 121.205 0.624 18462 7520 1 10 . 1 1 597 597 TYR HA H 597 4.767 4.767 4.186 0.581 18462 7521 1 10 . 1 1 597 597 TYR C C 597 175.453 175.453 176.852 -1.399 18462 7522 1 10 . 1 1 597 597 TYR CA C 597 57.467 57.467 58.075 -0.608 18462 7523 1 10 . 1 1 597 597 TYR CB C 597 38.839 38.839 38.698 0.141 18462 7524 1 10 . 1 1 597 597 TYR H H 597 7.966 7.966 8.360 -0.394 18462 7525 1 10 . 1 1 598 598 ALA N N 598 129.272 129.272 125.854 3.418 18462 7526 1 10 . 1 1 598 598 ALA HA H 598 4.191 4.191 4.098 0.093 18462 7527 1 10 . 1 1 598 598 ALA C C 598 177.425 177.425 177.579 -0.154 18462 7528 1 10 . 1 1 598 598 ALA CA C 598 54.040 54.040 54.083 -0.043 18462 7529 1 10 . 1 1 598 598 ALA CB C 598 17.749 17.749 18.160 -0.411 18462 7530 1 10 . 1 1 598 598 ALA H H 598 9.540 9.540 8.831 0.709 18462 7531 1 10 . 1 1 599 599 TYR N N 599 115.845 115.845 112.554 3.291 18462 7532 1 10 . 1 1 599 599 TYR HA H 599 4.560 4.560 4.454 0.106 18462 7533 1 10 . 1 1 599 599 TYR C C 599 173.276 173.276 175.689 -2.413 18462 7534 1 10 . 1 1 599 599 TYR CA C 599 58.172 58.172 58.769 -0.597 18462 7535 1 10 . 1 1 599 599 TYR CB C 599 36.432 36.432 37.845 -1.413 18462 7536 1 10 . 1 1 599 599 TYR H H 599 8.496 8.496 7.699 0.797 18462 7537 1 10 . 1 1 600 600 LEU N N 600 120.764 120.764 117.157 3.607 18462 7538 1 10 . 1 1 600 600 LEU HA H 600 4.260 4.260 4.426 -0.166 18462 7539 1 10 . 1 1 600 600 LEU C C 600 176.164 176.164 178.058 -1.894 18462 7540 1 10 . 1 1 600 600 LEU CA C 600 54.303 54.303 54.695 -0.392 18462 7541 1 10 . 1 1 600 600 LEU CB C 600 41.419 41.419 41.728 -0.309 18462 7542 1 10 . 1 1 600 600 LEU H H 600 7.299 7.299 7.538 -0.239 18462 7543 1 10 . 1 1 601 601 SER N N 601 114.419 114.419 113.235 1.184 18462 7544 1 10 . 1 1 601 601 SER HA H 601 4.418 4.418 4.360 0.058 18462 7545 1 10 . 1 1 601 601 SER C C 601 177.754 177.754 174.305 3.449 18462 7546 1 10 . 1 1 601 601 SER CA C 601 58.054 58.054 59.830 -1.776 18462 7547 1 10 . 1 1 601 601 SER CB C 601 63.212 63.212 63.671 -0.459 18462 7548 1 10 . 1 1 601 601 SER H H 601 7.896 7.896 7.387 0.509 18462 7549 1 10 . 1 1 602 602 ASP N N 602 122.293 122.293 119.889 2.404 18462 7550 1 10 . 1 1 602 602 ASP HA H 602 4.651 4.651 4.728 -0.077 18462 7551 1 10 . 1 1 602 602 ASP C C 602 174.087 174.087 174.778 -0.691 18462 7552 1 10 . 1 1 602 602 ASP CA C 602 53.845 53.845 53.492 0.353 18462 7553 1 10 . 1 1 602 602 ASP CB C 602 40.481 40.481 42.392 -1.911 18462 7554 1 10 . 1 1 602 602 ASP H H 602 8.257 8.257 7.617 0.640 18462 7555 1 10 . 1 1 603 603 ARG N N 603 121.398 121.398 124.338 -2.940 18462 7556 1 10 . 1 1 603 603 ARG HA H 603 4.454 4.454 4.645 -0.191 18462 7557 1 10 . 1 1 603 603 ARG C C 603 176.111 176.111 174.803 1.308 18462 7558 1 10 . 1 1 603 603 ARG CA C 603 55.241 55.241 55.868 -0.627 18462 7559 1 10 . 1 1 603 603 ARG CB C 603 30.164 30.164 31.328 -1.164 18462 7560 1 10 . 1 1 603 603 ARG H H 603 8.234 8.234 8.562 -0.328 18462 7561 1 11 . 1 1 473 473 ASN HA H 473 4.815 4.815 4.885 -0.070 18462 7562 1 11 . 1 1 473 473 ASN CA C 473 52.204 52.204 52.361 -0.157 18462 7563 1 11 . 1 1 473 473 ASN CB C 473 38.371 38.371 39.890 -1.519 18462 7564 1 11 . 1 1 474 474 LYS N N 474 122.150 122.150 121.444 0.706 18462 7565 1 11 . 1 1 474 474 LYS HA H 474 4.375 4.375 4.495 -0.120 18462 7566 1 11 . 1 1 474 474 LYS C C 474 174.965 174.965 176.531 -1.566 18462 7567 1 11 . 1 1 474 474 LYS CA C 474 55.944 55.944 55.694 0.250 18462 7568 1 11 . 1 1 474 474 LYS CB C 474 32.405 32.405 32.760 -0.355 18462 7569 1 11 . 1 1 474 474 LYS H H 474 8.586 8.586 8.421 0.165 18462 7570 1 11 . 1 1 475 475 ARG N N 475 122.278 122.278 125.450 -3.172 18462 7571 1 11 . 1 1 475 475 ARG HA H 475 4.374 4.374 4.511 -0.137 18462 7572 1 11 . 1 1 475 475 ARG C C 475 176.695 176.695 175.351 1.344 18462 7573 1 11 . 1 1 475 475 ARG CA C 475 55.944 55.944 56.099 -0.155 18462 7574 1 11 . 1 1 475 475 ARG CB C 475 30.164 30.164 30.842 -0.678 18462 7575 1 11 . 1 1 475 475 ARG H H 475 8.662 8.662 8.410 0.252 18462 7576 1 11 . 1 1 476 476 MET N N 476 122.046 122.046 123.896 -1.850 18462 7577 1 11 . 1 1 476 476 MET HA H 476 4.496 4.496 4.715 -0.219 18462 7578 1 11 . 1 1 476 476 MET C C 476 176.359 176.359 175.537 0.822 18462 7579 1 11 . 1 1 476 476 MET CA C 476 54.537 54.537 55.344 -0.807 18462 7580 1 11 . 1 1 476 476 MET CB C 476 32.509 32.509 35.370 -2.861 18462 7581 1 11 . 1 1 476 476 MET H H 476 8.490 8.490 8.642 -0.152 18462 7582 1 11 . 1 1 477 477 LYS N N 477 123.768 123.768 123.563 0.205 18462 7583 1 11 . 1 1 477 477 LYS HA H 477 4.384 4.384 4.550 -0.166 18462 7584 1 11 . 1 1 477 477 LYS C C 477 176.015 176.015 175.241 0.774 18462 7585 1 11 . 1 1 477 477 LYS CA C 477 55.834 55.834 56.510 -0.676 18462 7586 1 11 . 1 1 477 477 LYS CB C 477 32.107 32.107 32.261 -0.154 18462 7587 1 11 . 1 1 477 477 LYS H H 477 8.472 8.472 8.547 -0.075 18462 7588 1 11 . 1 1 478 478 VAL N N 478 122.460 122.460 117.109 5.351 18462 7589 1 11 . 1 1 478 478 VAL HA H 478 4.054 4.054 4.406 -0.352 18462 7590 1 11 . 1 1 478 478 VAL C C 478 176.320 176.320 175.336 0.984 18462 7591 1 11 . 1 1 478 478 VAL CA C 478 61.337 61.337 60.424 0.913 18462 7592 1 11 . 1 1 478 478 VAL CB C 478 32.275 32.275 33.019 -0.744 18462 7593 1 11 . 1 1 478 478 VAL H H 478 8.230 8.230 7.855 0.375 18462 7594 1 11 . 1 1 479 479 LYS N N 479 126.119 126.119 122.148 3.971 18462 7595 1 11 . 1 1 479 479 LYS HA H 479 4.365 4.365 4.433 -0.068 18462 7596 1 11 . 1 1 479 479 LYS C C 479 175.605 175.605 176.157 -0.552 18462 7597 1 11 . 1 1 479 479 LYS CA C 479 55.006 55.006 56.242 -1.236 18462 7598 1 11 . 1 1 479 479 LYS CB C 479 32.098 32.098 32.969 -0.871 18462 7599 1 11 . 1 1 479 479 LYS H H 479 8.453 8.453 8.396 0.057 18462 7600 1 11 . 1 1 480 480 HIS N N 480 121.065 121.065 118.919 2.146 18462 7601 1 11 . 1 1 480 480 HIS HA H 480 4.713 4.713 4.704 0.009 18462 7602 1 11 . 1 1 480 480 HIS C C 480 175.937 175.937 173.834 2.103 18462 7603 1 11 . 1 1 480 480 HIS CA C 480 54.537 54.537 55.696 -1.159 18462 7604 1 11 . 1 1 480 480 HIS CB C 480 30.047 30.047 32.423 -2.376 18462 7605 1 11 . 1 1 480 480 HIS H H 480 8.559 8.559 8.301 0.258 18462 7606 1 11 . 1 1 481 481 ASP HA H 481 4.392 4.392 4.655 -0.263 18462 7607 1 11 . 1 1 481 481 ASP C C 481 174.413 174.413 175.393 -0.980 18462 7608 1 11 . 1 1 481 481 ASP CA C 481 52.907 52.907 54.266 -1.359 18462 7609 1 11 . 1 1 481 481 ASP CB C 481 39.543 39.543 41.174 -1.631 18462 7610 1 11 . 1 1 482 482 ASP N N 482 118.362 118.362 119.788 -1.426 18462 7611 1 11 . 1 1 482 482 ASP HA H 482 4.710 4.710 4.640 0.070 18462 7612 1 11 . 1 1 482 482 ASP C C 482 175.104 175.104 174.938 0.166 18462 7613 1 11 . 1 1 482 482 ASP CA C 482 53.376 53.376 54.069 -0.693 18462 7614 1 11 . 1 1 482 482 ASP CB C 482 39.308 39.308 40.430 -1.122 18462 7615 1 11 . 1 1 482 482 ASP H H 482 8.216 8.216 8.649 -0.433 18462 7616 1 11 . 1 1 483 483 HIS N N 483 113.578 113.578 112.643 0.935 18462 7617 1 11 . 1 1 483 483 HIS HA H 483 5.886 5.886 5.350 0.536 18462 7618 1 11 . 1 1 483 483 HIS C C 483 175.274 175.274 172.680 2.594 18462 7619 1 11 . 1 1 483 483 HIS CA C 483 55.241 55.241 55.150 0.091 18462 7620 1 11 . 1 1 483 483 HIS CB C 483 32.040 32.040 31.797 0.243 18462 7621 1 11 . 1 1 483 483 HIS H H 483 7.692 7.692 7.201 0.491 18462 7622 1 11 . 1 1 484 484 TYR N N 484 116.271 116.271 114.586 1.685 18462 7623 1 11 . 1 1 484 484 TYR HA H 484 5.003 5.003 5.014 -0.011 18462 7624 1 11 . 1 1 484 484 TYR C C 484 180.038 180.038 173.785 6.253 18462 7625 1 11 . 1 1 484 484 TYR CA C 484 55.241 55.241 56.382 -1.141 18462 7626 1 11 . 1 1 484 484 TYR CB C 484 39.777 39.777 40.410 -0.633 18462 7627 1 11 . 1 1 484 484 TYR H H 484 8.493 8.493 8.667 -0.174 18462 7628 1 11 . 1 1 485 485 GLU N N 485 120.840 120.840 121.487 -0.647 18462 7629 1 11 . 1 1 485 485 GLU HA H 485 5.301 5.301 5.304 -0.003 18462 7630 1 11 . 1 1 485 485 GLU C C 485 174.101 174.101 175.736 -1.635 18462 7631 1 11 . 1 1 485 485 GLU CA C 485 54.772 54.772 55.476 -0.704 18462 7632 1 11 . 1 1 485 485 GLU CB C 485 31.337 31.337 31.680 -0.343 18462 7633 1 11 . 1 1 485 485 GLU H H 485 8.873 8.873 8.735 0.138 18462 7634 1 11 . 1 1 486 486 LEU N N 486 125.807 125.807 126.598 -0.791 18462 7635 1 11 . 1 1 486 486 LEU HA H 486 4.762 4.762 4.824 -0.062 18462 7636 1 11 . 1 1 486 486 LEU C C 486 175.613 175.613 174.873 0.740 18462 7637 1 11 . 1 1 486 486 LEU CA C 486 53.645 53.645 54.398 -0.752 18462 7638 1 11 . 1 1 486 486 LEU CB C 486 45.873 45.873 45.137 0.736 18462 7639 1 11 . 1 1 486 486 LEU H H 486 8.957 8.957 8.960 -0.003 18462 7640 1 11 . 1 1 487 487 ILE N N 487 125.332 125.332 127.781 -2.449 18462 7641 1 11 . 1 1 487 487 ILE HA H 487 5.007 5.007 4.484 0.523 18462 7642 1 11 . 1 1 487 487 ILE C C 487 174.543 174.543 175.382 -0.839 18462 7643 1 11 . 1 1 487 487 ILE CA C 487 59.695 59.695 61.273 -1.578 18462 7644 1 11 . 1 1 487 487 ILE CB C 487 37.433 37.433 38.307 -0.874 18462 7645 1 11 . 1 1 487 487 ILE H H 487 8.549 8.549 8.445 0.104 18462 7646 1 11 . 1 1 488 488 VAL N N 488 129.307 129.307 128.453 0.854 18462 7647 1 11 . 1 1 488 488 VAL HA H 488 4.304 4.304 4.136 0.168 18462 7648 1 11 . 1 1 488 488 VAL C C 488 176.678 176.678 175.223 1.455 18462 7649 1 11 . 1 1 488 488 VAL CA C 488 60.868 60.868 60.502 0.366 18462 7650 1 11 . 1 1 488 488 VAL CB C 488 33.681 33.681 33.941 -0.260 18462 7651 1 11 . 1 1 488 488 VAL H H 488 9.456 9.456 8.702 0.754 18462 7652 1 11 . 1 1 489 489 ASP N N 489 128.884 128.884 128.506 0.378 18462 7653 1 11 . 1 1 489 489 ASP HA H 489 4.301 4.301 4.262 0.039 18462 7654 1 11 . 1 1 489 489 ASP C C 489 176.084 176.084 176.805 -0.721 18462 7655 1 11 . 1 1 489 489 ASP CA C 489 54.537 54.537 54.615 -0.078 18462 7656 1 11 . 1 1 489 489 ASP CB C 489 39.074 39.074 40.379 -1.304 18462 7657 1 11 . 1 1 489 489 ASP H H 489 9.144 9.144 8.837 0.307 18462 7658 1 11 . 1 1 490 490 GLY N N 490 102.410 102.410 104.419 -2.009 18462 7659 1 11 . 1 1 490 490 GLY C C 490 175.998 175.998 174.187 1.811 18462 7660 1 11 . 1 1 490 490 GLY CA C 490 44.818 44.818 44.997 -0.179 18462 7661 1 11 . 1 1 490 490 GLY H H 490 8.210 8.210 8.111 0.099 18462 7662 1 11 . 1 1 491 491 ARG N N 491 122.605 122.605 121.862 0.743 18462 7663 1 11 . 1 1 491 491 ARG HA H 491 4.597 4.597 4.472 0.125 18462 7664 1 11 . 1 1 491 491 ARG C C 491 173.256 173.256 175.384 -2.128 18462 7665 1 11 . 1 1 491 491 ARG CA C 491 53.610 53.610 55.116 -1.506 18462 7666 1 11 . 1 1 491 491 ARG CB C 491 32.040 32.040 31.291 0.750 18462 7667 1 11 . 1 1 491 491 ARG H H 491 7.938 7.938 7.665 0.273 18462 7668 1 11 . 1 1 492 492 VAL N N 492 123.769 123.769 123.921 -0.152 18462 7669 1 11 . 1 1 492 492 VAL HA H 492 4.128 4.128 3.786 0.342 18462 7670 1 11 . 1 1 492 492 VAL C C 492 173.470 173.470 175.221 -1.751 18462 7671 1 11 . 1 1 492 492 VAL CA C 492 62.210 62.210 62.447 -0.237 18462 7672 1 11 . 1 1 492 492 VAL CB C 492 32.040 32.040 31.395 0.645 18462 7673 1 11 . 1 1 492 492 VAL H H 492 8.157 8.157 8.479 -0.322 18462 7674 1 11 . 1 1 493 493 TYR N N 493 124.842 124.842 126.305 -1.463 18462 7675 1 11 . 1 1 493 493 TYR HA H 493 4.632 4.632 4.760 -0.128 18462 7676 1 11 . 1 1 493 493 TYR C C 493 174.288 174.288 175.218 -0.930 18462 7677 1 11 . 1 1 493 493 TYR CA C 493 56.308 56.308 53.834 2.474 18462 7678 1 11 . 1 1 493 493 TYR CB C 493 40.481 40.481 40.736 -0.255 18462 7679 1 11 . 1 1 493 493 TYR H H 493 8.981 8.981 8.581 0.400 18462 7680 1 11 . 1 1 494 494 TYR N N 494 120.511 120.511 118.803 1.708 18462 7681 1 11 . 1 1 494 494 TYR HA H 494 4.763 4.763 5.227 -0.464 18462 7682 1 11 . 1 1 494 494 TYR C C 494 173.811 173.811 175.413 -1.602 18462 7683 1 11 . 1 1 494 494 TYR CA C 494 56.764 56.764 56.564 0.200 18462 7684 1 11 . 1 1 494 494 TYR CB C 494 38.722 38.722 39.941 -1.219 18462 7685 1 11 . 1 1 494 494 TYR H H 494 9.235 9.235 9.146 0.089 18462 7686 1 11 . 1 1 495 495 ILE N N 495 124.930 124.930 122.672 2.258 18462 7687 1 11 . 1 1 495 495 ILE HA H 495 4.780 4.780 4.858 -0.078 18462 7688 1 11 . 1 1 495 495 ILE C C 495 174.764 174.764 175.463 -0.699 18462 7689 1 11 . 1 1 495 495 ILE CA C 495 57.714 57.714 59.154 -1.440 18462 7690 1 11 . 1 1 495 495 ILE CB C 495 36.729 36.729 40.694 -3.965 18462 7691 1 11 . 1 1 495 495 ILE H H 495 9.136 9.136 9.173 -0.037 18462 7692 1 11 . 1 1 496 496 CYS N N 496 127.535 127.535 127.546 -0.011 18462 7693 1 11 . 1 1 496 496 CYS HA H 496 4.745 4.745 4.747 -0.002 18462 7694 1 11 . 1 1 496 496 CYS C C 496 176.128 176.128 176.966 -0.838 18462 7695 1 11 . 1 1 496 496 CYS CA C 496 60.574 60.574 58.925 1.649 18462 7696 1 11 . 1 1 496 496 CYS CB C 496 29.227 29.227 27.951 1.276 18462 7697 1 11 . 1 1 496 496 CYS H H 496 9.016 9.016 8.571 0.445 18462 7698 1 11 . 1 1 497 497 ILE N N 497 129.645 129.645 125.750 3.895 18462 7699 1 11 . 1 1 497 497 ILE HA H 497 4.176 4.176 4.208 -0.032 18462 7700 1 11 . 1 1 497 497 ILE C C 497 177.925 177.925 176.532 1.393 18462 7701 1 11 . 1 1 497 497 ILE CA C 497 63.447 63.447 64.087 -0.640 18462 7702 1 11 . 1 1 497 497 ILE CB C 497 39.543 39.543 38.046 1.497 18462 7703 1 11 . 1 1 497 497 ILE H H 497 8.295 8.295 8.152 0.143 18462 7704 1 11 . 1 1 498 498 VAL N N 498 123.791 123.791 119.678 4.113 18462 7705 1 11 . 1 1 498 498 VAL HA H 498 3.939 3.939 3.756 0.183 18462 7706 1 11 . 1 1 498 498 VAL C C 498 176.127 176.127 177.624 -1.497 18462 7707 1 11 . 1 1 498 498 VAL CA C 498 64.619 64.619 65.018 -0.399 18462 7708 1 11 . 1 1 498 498 VAL CB C 498 32.275 32.275 31.895 0.380 18462 7709 1 11 . 1 1 498 498 VAL H H 498 8.993 8.993 8.053 0.940 18462 7710 1 11 . 1 1 499 499 CYS N N 499 117.267 117.267 112.024 5.243 18462 7711 1 11 . 1 1 499 499 CYS HA H 499 5.157 5.157 4.851 0.306 18462 7712 1 11 . 1 1 499 499 CYS C C 499 177.106 177.106 175.083 2.023 18462 7713 1 11 . 1 1 499 499 CYS CA C 499 57.820 57.820 57.231 0.589 18462 7714 1 11 . 1 1 499 499 CYS CB C 499 31.571 31.571 29.374 2.197 18462 7715 1 11 . 1 1 499 499 CYS H H 499 8.307 8.307 8.081 0.226 18462 7716 1 11 . 1 1 500 500 LYS N N 500 117.950 117.950 119.003 -1.053 18462 7717 1 11 . 1 1 500 500 LYS HA H 500 4.306 4.306 4.053 0.253 18462 7718 1 11 . 1 1 500 500 LYS C C 500 175.869 175.869 175.461 0.408 18462 7719 1 11 . 1 1 500 500 LYS CA C 500 57.585 57.585 57.219 0.366 18462 7720 1 11 . 1 1 500 500 LYS CB C 500 28.289 28.289 29.717 -1.428 18462 7721 1 11 . 1 1 500 500 LYS H H 500 8.169 8.169 8.240 -0.071 18462 7722 1 11 . 1 1 501 501 ARG N N 501 121.270 121.270 119.743 1.527 18462 7723 1 11 . 1 1 501 501 ARG HA H 501 4.090 4.090 4.187 -0.097 18462 7724 1 11 . 1 1 501 501 ARG C C 501 175.587 175.587 175.744 -0.157 18462 7725 1 11 . 1 1 501 501 ARG CA C 501 58.289 58.289 55.990 2.299 18462 7726 1 11 . 1 1 501 501 ARG CB C 501 29.694 29.694 31.161 -1.467 18462 7727 1 11 . 1 1 501 501 ARG H H 501 8.071 8.071 7.761 0.310 18462 7728 1 11 . 1 1 502 502 SER N N 502 112.997 112.997 117.857 -4.860 18462 7729 1 11 . 1 1 502 502 SER HA H 502 5.003 5.003 4.760 0.243 18462 7730 1 11 . 1 1 502 502 SER C C 502 174.417 174.417 173.236 1.181 18462 7731 1 11 . 1 1 502 502 SER CA C 502 55.475 55.475 57.252 -1.777 18462 7732 1 11 . 1 1 502 502 SER CB C 502 65.088 65.088 64.407 0.681 18462 7733 1 11 . 1 1 502 502 SER H H 502 7.553 7.553 8.246 -0.693 18462 7734 1 11 . 1 1 503 503 TYR N N 503 121.115 121.115 122.521 -1.406 18462 7735 1 11 . 1 1 503 503 TYR HA H 503 4.996 4.996 4.622 0.374 18462 7736 1 11 . 1 1 503 503 TYR C C 503 173.707 173.707 175.485 -1.778 18462 7737 1 11 . 1 1 503 503 TYR CA C 503 57.585 57.585 57.839 -0.254 18462 7738 1 11 . 1 1 503 503 TYR CB C 503 42.244 42.244 41.891 0.353 18462 7739 1 11 . 1 1 503 503 TYR H H 503 8.958 8.958 8.615 0.343 18462 7740 1 11 . 1 1 504 504 VAL N N 504 119.390 119.390 120.673 -1.283 18462 7741 1 11 . 1 1 504 504 VAL HA H 504 4.376 4.376 4.044 0.332 18462 7742 1 11 . 1 1 504 504 VAL C C 504 176.390 176.390 175.834 0.556 18462 7743 1 11 . 1 1 504 504 VAL CA C 504 62.275 62.275 64.038 -1.763 18462 7744 1 11 . 1 1 504 504 VAL CB C 504 33.025 33.025 32.500 0.525 18462 7745 1 11 . 1 1 504 504 VAL H H 504 9.988 9.988 8.631 1.357 18462 7746 1 11 . 1 1 505 505 CYS N N 505 113.800 113.800 116.424 -2.624 18462 7747 1 11 . 1 1 505 505 CYS HA H 505 4.998 4.998 4.765 0.233 18462 7748 1 11 . 1 1 505 505 CYS C C 505 176.603 176.603 175.126 1.477 18462 7749 1 11 . 1 1 505 505 CYS CA C 505 56.647 56.647 57.792 -1.145 18462 7750 1 11 . 1 1 505 505 CYS CB C 505 38.406 38.406 31.253 7.154 18462 7751 1 11 . 1 1 505 505 CYS H H 505 7.518 7.518 7.757 -0.239 18462 7752 1 11 . 1 1 506 506 LEU N N 506 129.535 129.535 124.378 5.157 18462 7753 1 11 . 1 1 506 506 LEU HA H 506 3.325 3.325 3.503 -0.178 18462 7754 1 11 . 1 1 506 506 LEU C C 506 174.727 174.727 177.686 -2.959 18462 7755 1 11 . 1 1 506 506 LEU CA C 506 56.647 56.647 58.081 -1.434 18462 7756 1 11 . 1 1 506 506 LEU CB C 506 39.308 39.308 41.132 -1.824 18462 7757 1 11 . 1 1 506 506 LEU H H 506 8.602 8.602 8.680 -0.078 18462 7758 1 11 . 1 1 507 507 THR N N 507 108.833 108.833 110.085 -1.252 18462 7759 1 11 . 1 1 507 507 THR HA H 507 3.820 3.820 3.864 -0.044 18462 7760 1 11 . 1 1 507 507 THR C C 507 178.905 178.905 176.552 2.353 18462 7761 1 11 . 1 1 507 507 THR CA C 507 64.150 64.150 66.028 -1.879 18462 7762 1 11 . 1 1 507 507 THR CB C 507 66.260 66.260 67.889 -1.629 18462 7763 1 11 . 1 1 507 507 THR H H 507 8.087 8.087 8.156 -0.069 18462 7764 1 11 . 1 1 508 508 SER N N 508 119.009 119.009 119.018 -0.009 18462 7765 1 11 . 1 1 508 508 SER HA H 508 4.123 4.123 3.998 0.125 18462 7766 1 11 . 1 1 508 508 SER C C 508 178.467 178.467 175.879 2.588 18462 7767 1 11 . 1 1 508 508 SER CA C 508 59.461 59.461 61.313 -1.853 18462 7768 1 11 . 1 1 508 508 SER CB C 508 62.978 62.978 62.764 0.214 18462 7769 1 11 . 1 1 508 508 SER H H 508 7.230 7.230 7.370 -0.140 18462 7770 1 11 . 1 1 509 509 LEU N N 509 127.365 127.365 123.465 3.900 18462 7771 1 11 . 1 1 509 509 LEU HA H 509 3.216 3.216 3.306 -0.090 18462 7772 1 11 . 1 1 509 509 LEU C C 509 176.740 176.740 177.690 -0.950 18462 7773 1 11 . 1 1 509 509 LEU CA C 509 57.351 57.351 57.883 -0.532 18462 7774 1 11 . 1 1 509 509 LEU CB C 509 39.074 39.074 41.725 -2.651 18462 7775 1 11 . 1 1 509 509 LEU H H 509 7.114 7.114 7.115 -0.001 18462 7776 1 11 . 1 1 510 510 ARG N N 510 119.955 119.955 117.866 2.089 18462 7777 1 11 . 1 1 510 510 ARG HA H 510 3.843 3.843 3.902 -0.059 18462 7778 1 11 . 1 1 510 510 ARG C C 510 178.472 178.472 178.771 -0.299 18462 7779 1 11 . 1 1 510 510 ARG CA C 510 61.766 61.766 58.300 3.466 18462 7780 1 11 . 1 1 510 510 ARG CB C 510 28.992 28.992 29.149 -0.157 18462 7781 1 11 . 1 1 510 510 ARG H H 510 8.100 8.100 8.442 -0.342 18462 7782 1 11 . 1 1 511 511 ARG N N 511 120.947 120.947 118.915 2.032 18462 7783 1 11 . 1 1 511 511 ARG HA H 511 4.078 4.078 3.902 0.176 18462 7784 1 11 . 1 1 511 511 ARG C C 511 178.262 178.262 178.312 -0.050 18462 7785 1 11 . 1 1 511 511 ARG CA C 511 59.054 59.054 59.082 -0.028 18462 7786 1 11 . 1 1 511 511 ARG CB C 511 29.695 29.695 29.875 -0.180 18462 7787 1 11 . 1 1 511 511 ARG H H 511 7.802 7.802 7.964 -0.162 18462 7788 1 11 . 1 1 512 512 HIS N N 512 116.820 116.820 118.472 -1.652 18462 7789 1 11 . 1 1 512 512 HIS HA H 512 4.219 4.219 4.281 -0.062 18462 7790 1 11 . 1 1 512 512 HIS C C 512 178.069 178.069 177.224 0.845 18462 7791 1 11 . 1 1 512 512 HIS CA C 512 57.507 57.507 58.772 -1.265 18462 7792 1 11 . 1 1 512 512 HIS CB C 512 27.390 27.390 30.061 -2.671 18462 7793 1 11 . 1 1 512 512 HIS H H 512 7.809 7.809 7.918 -0.109 18462 7794 1 11 . 1 1 513 513 PHE N N 513 118.415 118.415 121.165 -2.750 18462 7795 1 11 . 1 1 513 513 PHE HA H 513 3.620 3.620 3.968 -0.348 18462 7796 1 11 . 1 1 513 513 PHE C C 513 176.026 176.026 176.602 -0.576 18462 7797 1 11 . 1 1 513 513 PHE CA C 513 61.102 61.102 61.753 -0.651 18462 7798 1 11 . 1 1 513 513 PHE CB C 513 38.996 38.996 39.003 -0.007 18462 7799 1 11 . 1 1 513 513 PHE H H 513 8.898 8.898 8.861 0.037 18462 7800 1 11 . 1 1 514 514 ASN N N 514 114.080 114.080 118.768 -4.688 18462 7801 1 11 . 1 1 514 514 ASN HA H 514 4.988 4.988 4.338 0.650 18462 7802 1 11 . 1 1 514 514 ASN C C 514 176.236 176.236 177.318 -1.082 18462 7803 1 11 . 1 1 514 514 ASN CA C 514 55.006 55.006 55.694 -0.688 18462 7804 1 11 . 1 1 514 514 ASN CB C 514 40.129 40.129 38.548 1.581 18462 7805 1 11 . 1 1 514 514 ASN H H 514 8.678 8.678 7.704 0.974 18462 7806 1 11 . 1 1 515 515 ILE N N 515 114.035 114.035 118.309 -4.274 18462 7807 1 11 . 1 1 515 515 ILE HA H 515 2.997 2.997 3.219 -0.222 18462 7808 1 11 . 1 1 515 515 ILE C C 515 176.292 176.292 176.019 0.273 18462 7809 1 11 . 1 1 515 515 ILE CA C 515 63.447 63.447 63.682 -0.235 18462 7810 1 11 . 1 1 515 515 ILE CB C 515 37.198 37.198 37.574 -0.376 18462 7811 1 11 . 1 1 515 515 ILE H H 515 7.919 7.919 7.836 0.083 18462 7812 1 11 . 1 1 516 516 HIS N N 516 113.136 113.136 117.504 -4.368 18462 7813 1 11 . 1 1 516 516 HIS HA H 516 4.767 4.767 4.542 0.225 18462 7814 1 11 . 1 1 516 516 HIS C C 516 175.870 175.870 177.289 -1.419 18462 7815 1 11 . 1 1 516 516 HIS CA C 516 54.542 54.542 58.297 -3.755 18462 7816 1 11 . 1 1 516 516 HIS CB C 516 27.585 27.585 30.127 -2.542 18462 7817 1 11 . 1 1 516 516 HIS H H 516 7.170 7.170 7.510 -0.340 18462 7818 1 11 . 1 1 517 517 SER N N 517 112.852 112.852 113.974 -1.122 18462 7819 1 11 . 1 1 517 517 SER HA H 517 4.359 4.359 4.314 0.045 18462 7820 1 11 . 1 1 517 517 SER C C 517 177.067 177.067 175.479 1.588 18462 7821 1 11 . 1 1 517 517 SER CA C 517 58.758 58.758 59.516 -0.758 18462 7822 1 11 . 1 1 517 517 SER CB C 517 63.447 63.447 64.238 -0.791 18462 7823 1 11 . 1 1 517 517 SER H H 517 7.886 7.886 7.808 0.078 18462 7824 1 11 . 1 1 518 518 TRP N N 518 122.824 122.824 119.883 2.941 18462 7825 1 11 . 1 1 518 518 TRP HA H 518 4.005 4.005 4.418 -0.413 18462 7826 1 11 . 1 1 518 518 TRP C C 518 175.133 175.133 176.442 -1.309 18462 7827 1 11 . 1 1 518 518 TRP CA C 518 57.820 57.820 58.760 -0.939 18462 7828 1 11 . 1 1 518 518 TRP CB C 518 25.710 25.710 26.588 -0.878 18462 7829 1 11 . 1 1 518 518 TRP H H 518 9.274 9.274 7.643 1.631 18462 7830 1 11 . 1 1 519 519 GLU N N 519 119.673 119.673 115.067 4.606 18462 7831 1 11 . 1 1 519 519 GLU HA H 519 4.042 4.042 4.097 -0.055 18462 7832 1 11 . 1 1 519 519 GLU C C 519 175.353 175.353 176.617 -1.264 18462 7833 1 11 . 1 1 519 519 GLU CA C 519 58.758 58.758 58.220 0.538 18462 7834 1 11 . 1 1 519 519 GLU CB C 519 29.695 29.695 30.013 -0.318 18462 7835 1 11 . 1 1 519 519 GLU H H 519 7.828 7.828 7.930 -0.102 18462 7836 1 11 . 1 1 520 520 LYS N N 520 118.358 118.358 119.320 -0.962 18462 7837 1 11 . 1 1 520 520 LYS HA H 520 4.544 4.544 4.393 0.151 18462 7838 1 11 . 1 1 520 520 LYS C C 520 178.036 178.036 174.457 3.579 18462 7839 1 11 . 1 1 520 520 LYS CA C 520 53.845 53.845 54.949 -1.104 18462 7840 1 11 . 1 1 520 520 LYS CB C 520 34.385 34.385 34.422 -0.037 18462 7841 1 11 . 1 1 520 520 LYS H H 520 9.085 9.085 7.968 1.117 18462 7842 1 11 . 1 1 521 521 LYS N N 521 118.859 118.859 123.295 -4.436 18462 7843 1 11 . 1 1 521 521 LYS HA H 521 4.658 4.658 4.323 0.335 18462 7844 1 11 . 1 1 521 521 LYS C C 521 175.168 175.168 175.635 -0.467 18462 7845 1 11 . 1 1 521 521 LYS CA C 521 54.537 54.537 55.667 -1.130 18462 7846 1 11 . 1 1 521 521 LYS CB C 521 35.323 35.323 33.957 1.366 18462 7847 1 11 . 1 1 521 521 LYS H H 521 8.238 8.238 8.261 -0.023 18462 7848 1 11 . 1 1 522 522 TYR N N 522 117.305 117.305 121.817 -4.512 18462 7849 1 11 . 1 1 522 522 TYR HA H 522 5.028 5.028 4.940 0.088 18462 7850 1 11 . 1 1 522 522 TYR C C 522 175.016 175.016 173.864 1.152 18462 7851 1 11 . 1 1 522 522 TYR CA C 522 54.537 54.537 54.930 -0.393 18462 7852 1 11 . 1 1 522 522 TYR CB C 522 37.198 37.198 38.239 -1.041 18462 7853 1 11 . 1 1 522 522 TYR H H 522 7.788 7.788 8.474 -0.686 18462 7854 1 11 . 1 1 523 523 PRO HA H 523 5.026 5.026 4.968 0.058 18462 7855 1 11 . 1 1 523 523 PRO CA C 523 61.806 61.806 62.210 -0.404 18462 7856 1 11 . 1 1 523 523 PRO CB C 523 31.839 31.839 32.621 -0.782 18462 7857 1 11 . 1 1 524 524 CYS N N 524 126.569 126.569 124.219 2.350 18462 7858 1 11 . 1 1 524 524 CYS HA H 524 4.739 4.739 4.924 -0.185 18462 7859 1 11 . 1 1 524 524 CYS C C 524 176.841 176.841 176.309 0.532 18462 7860 1 11 . 1 1 524 524 CYS CA C 524 60.290 60.290 57.776 2.514 18462 7861 1 11 . 1 1 524 524 CYS CB C 524 29.344 29.344 29.254 0.090 18462 7862 1 11 . 1 1 524 524 CYS H H 524 9.210 9.210 8.823 0.387 18462 7863 1 11 . 1 1 525 525 ARG N N 525 130.294 130.294 125.873 4.421 18462 7864 1 11 . 1 1 525 525 ARG HA H 525 4.285 4.285 4.146 0.140 18462 7865 1 11 . 1 1 525 525 ARG C C 525 176.390 176.390 177.133 -0.743 18462 7866 1 11 . 1 1 525 525 ARG CA C 525 58.043 58.043 58.041 0.002 18462 7867 1 11 . 1 1 525 525 ARG CB C 525 27.576 27.576 30.094 -2.518 18462 7868 1 11 . 1 1 525 525 ARG H H 525 9.724 9.724 9.349 0.375 18462 7869 1 11 . 1 1 526 526 TYR N N 526 122.622 122.622 118.477 4.145 18462 7870 1 11 . 1 1 526 526 TYR HA H 526 4.517 4.517 4.367 0.150 18462 7871 1 11 . 1 1 526 526 TYR C C 526 176.659 176.659 175.837 0.822 18462 7872 1 11 . 1 1 526 526 TYR CA C 526 58.054 58.054 58.276 -0.222 18462 7873 1 11 . 1 1 526 526 TYR CB C 526 37.628 37.628 38.242 -0.614 18462 7874 1 11 . 1 1 526 526 TYR H H 526 10.439 10.439 8.024 2.415 18462 7875 1 11 . 1 1 527 527 CYS N N 527 122.873 122.873 115.692 7.181 18462 7876 1 11 . 1 1 527 527 CYS HA H 527 5.153 5.153 4.944 0.209 18462 7877 1 11 . 1 1 527 527 CYS C C 527 175.243 175.243 174.104 1.139 18462 7878 1 11 . 1 1 527 527 CYS CA C 527 58.148 58.148 56.485 1.663 18462 7879 1 11 . 1 1 527 527 CYS CB C 527 30.164 30.164 31.291 -1.127 18462 7880 1 11 . 1 1 527 527 CYS H H 527 8.462 8.462 7.636 0.826 18462 7881 1 11 . 1 1 528 528 GLU N N 528 115.906 115.906 118.686 -2.780 18462 7882 1 11 . 1 1 528 528 GLU HA H 528 4.453 4.453 4.253 0.200 18462 7883 1 11 . 1 1 528 528 GLU C C 528 173.484 173.484 176.490 -3.006 18462 7884 1 11 . 1 1 528 528 GLU CA C 528 57.390 57.390 56.428 0.961 18462 7885 1 11 . 1 1 528 528 GLU CB C 528 29.608 29.608 29.310 0.298 18462 7886 1 11 . 1 1 528 528 GLU H H 528 8.704 8.704 8.609 0.095 18462 7887 1 11 . 1 1 529 529 LYS N N 529 125.068 125.068 121.667 3.401 18462 7888 1 11 . 1 1 529 529 LYS HA H 529 4.041 4.041 4.167 -0.126 18462 7889 1 11 . 1 1 529 529 LYS C C 529 176.881 176.881 175.019 1.862 18462 7890 1 11 . 1 1 529 529 LYS CA C 529 57.585 57.585 57.065 0.520 18462 7891 1 11 . 1 1 529 529 LYS CB C 529 33.212 33.212 33.217 -0.005 18462 7892 1 11 . 1 1 529 529 LYS H H 529 8.696 8.696 7.637 1.059 18462 7893 1 11 . 1 1 530 530 VAL N N 530 119.525 119.525 122.611 -3.086 18462 7894 1 11 . 1 1 530 530 VAL HA H 530 4.541 4.541 4.293 0.248 18462 7895 1 11 . 1 1 530 530 VAL C C 530 175.118 175.118 175.608 -0.490 18462 7896 1 11 . 1 1 530 530 VAL CA C 530 60.633 60.633 61.107 -0.474 18462 7897 1 11 . 1 1 530 530 VAL CB C 530 34.150 34.150 33.511 0.639 18462 7898 1 11 . 1 1 530 530 VAL H H 530 8.054 8.054 8.222 -0.168 18462 7899 1 11 . 1 1 531 531 PHE N N 531 122.568 122.568 127.194 -4.626 18462 7900 1 11 . 1 1 531 531 PHE C C 531 174.185 174.185 174.724 -0.539 18462 7901 1 11 . 1 1 531 531 PHE CA C 531 55.586 55.586 55.353 0.233 18462 7902 1 11 . 1 1 531 531 PHE CB C 531 41.184 41.184 40.236 0.948 18462 7903 1 11 . 1 1 531 531 PHE H H 531 8.167 8.167 8.753 -0.586 18462 7904 1 11 . 1 1 532 532 PRO HA H 532 4.359 4.359 4.076 0.283 18462 7905 1 11 . 1 1 532 532 PRO CA C 532 62.216 62.216 63.118 -0.902 18462 7906 1 11 . 1 1 532 532 PRO CB C 532 29.930 29.930 32.032 -2.102 18462 7907 1 11 . 1 1 533 533 LEU N N 533 122.335 122.335 116.995 5.340 18462 7908 1 11 . 1 1 533 533 LEU HA H 533 4.086 4.086 4.217 -0.131 18462 7909 1 11 . 1 1 533 533 LEU C C 533 175.091 175.091 176.937 -1.846 18462 7910 1 11 . 1 1 533 533 LEU CA C 533 55.006 55.006 52.875 2.131 18462 7911 1 11 . 1 1 533 533 LEU CB C 533 43.529 43.529 44.517 -0.988 18462 7912 1 11 . 1 1 533 533 LEU H H 533 6.587 6.587 7.524 -0.937 18462 7913 1 11 . 1 1 534 534 ALA N N 534 126.722 126.722 125.609 1.113 18462 7914 1 11 . 1 1 534 534 ALA HA H 534 2.993 2.993 3.516 -0.523 18462 7915 1 11 . 1 1 534 534 ALA C C 534 175.439 175.439 178.750 -3.311 18462 7916 1 11 . 1 1 534 534 ALA CA C 534 54.537 54.537 55.029 -0.492 18462 7917 1 11 . 1 1 534 534 ALA CB C 534 18.452 18.452 17.546 0.906 18462 7918 1 11 . 1 1 534 534 ALA H H 534 7.698 7.698 7.930 -0.232 18462 7919 1 11 . 1 1 535 535 GLU N N 535 119.354 119.354 117.769 1.585 18462 7920 1 11 . 1 1 535 535 GLU HA H 535 4.675 4.675 4.006 0.669 18462 7921 1 11 . 1 1 535 535 GLU C C 535 180.126 180.126 178.196 1.930 18462 7922 1 11 . 1 1 535 535 GLU CA C 535 58.526 58.526 58.875 -0.349 18462 7923 1 11 . 1 1 535 535 GLU H H 535 9.535 9.535 8.708 0.827 18462 7924 1 11 . 1 1 536 536 TYR N N 536 114.592 114.592 119.698 -5.106 18462 7925 1 11 . 1 1 536 536 TYR HA H 536 4.368 4.368 4.136 0.232 18462 7926 1 11 . 1 1 536 536 TYR C C 536 178.004 178.004 178.077 -0.073 18462 7927 1 11 . 1 1 536 536 TYR CA C 536 56.179 56.179 58.314 -2.135 18462 7928 1 11 . 1 1 536 536 TYR CB C 536 35.556 35.556 37.396 -1.840 18462 7929 1 11 . 1 1 536 536 TYR H H 536 6.552 6.552 8.003 -1.451 18462 7930 1 11 . 1 1 537 537 ARG N N 537 119.820 119.820 119.632 0.188 18462 7931 1 11 . 1 1 537 537 ARG HA H 537 3.209 3.209 3.285 -0.076 18462 7932 1 11 . 1 1 537 537 ARG C C 537 179.469 179.469 178.240 1.229 18462 7933 1 11 . 1 1 537 537 ARG CA C 537 59.131 59.131 60.046 -0.915 18462 7934 1 11 . 1 1 537 537 ARG CB C 537 27.179 27.179 30.012 -2.833 18462 7935 1 11 . 1 1 537 537 ARG H H 537 7.016 7.016 7.501 -0.485 18462 7936 1 11 . 1 1 538 538 THR N N 538 120.080 120.080 117.131 2.949 18462 7937 1 11 . 1 1 538 538 THR HA H 538 3.939 3.939 3.938 0.001 18462 7938 1 11 . 1 1 538 538 THR C C 538 177.538 177.538 176.638 0.900 18462 7939 1 11 . 1 1 538 538 THR CA C 538 66.026 66.026 66.597 -0.571 18462 7940 1 11 . 1 1 538 538 THR CB C 538 66.964 66.964 68.643 -1.679 18462 7941 1 11 . 1 1 538 538 THR H H 538 8.410 8.410 8.286 0.124 18462 7942 1 11 . 1 1 539 539 LYS N N 539 117.252 117.252 118.962 -1.710 18462 7943 1 11 . 1 1 539 539 LYS HA H 539 4.054 4.054 4.126 -0.072 18462 7944 1 11 . 1 1 539 539 LYS C C 539 176.139 176.139 178.958 -2.819 18462 7945 1 11 . 1 1 539 539 LYS CA C 539 57.116 57.116 57.673 -0.557 18462 7946 1 11 . 1 1 539 539 LYS CB C 539 31.859 31.859 31.521 0.338 18462 7947 1 11 . 1 1 539 539 LYS H H 539 8.012 8.012 8.186 -0.174 18462 7948 1 11 . 1 1 540 540 HIS N N 540 118.983 118.983 120.754 -1.771 18462 7949 1 11 . 1 1 540 540 HIS HA H 540 4.548 4.548 4.383 0.165 18462 7950 1 11 . 1 1 540 540 HIS C C 540 179.568 179.568 177.530 2.038 18462 7951 1 11 . 1 1 540 540 HIS CA C 540 58.758 58.758 59.226 -0.468 18462 7952 1 11 . 1 1 540 540 HIS CB C 540 28.260 28.260 29.762 -1.502 18462 7953 1 11 . 1 1 540 540 HIS H H 540 7.536 7.536 7.812 -0.276 18462 7954 1 11 . 1 1 541 541 GLU N N 541 122.073 122.073 119.520 2.553 18462 7955 1 11 . 1 1 541 541 GLU HA H 541 4.215 4.215 4.241 -0.026 18462 7956 1 11 . 1 1 541 541 GLU C C 541 177.829 177.829 178.847 -1.018 18462 7957 1 11 . 1 1 541 541 GLU CA C 541 61.181 61.181 59.100 2.081 18462 7958 1 11 . 1 1 541 541 GLU CB C 541 29.712 29.712 29.757 -0.045 18462 7959 1 11 . 1 1 541 541 GLU H H 541 9.540 9.540 8.384 1.156 18462 7960 1 11 . 1 1 542 542 ILE N N 542 121.307 121.307 119.737 1.570 18462 7961 1 11 . 1 1 542 542 ILE HA H 542 4.335 4.335 3.801 0.533 18462 7962 1 11 . 1 1 542 542 ILE C C 542 179.666 179.666 177.734 1.932 18462 7963 1 11 . 1 1 542 542 ILE CA C 542 61.806 61.806 65.237 -3.431 18462 7964 1 11 . 1 1 542 542 ILE CB C 542 36.729 36.729 37.993 -1.264 18462 7965 1 11 . 1 1 542 542 ILE H H 542 8.275 8.275 8.471 -0.196 18462 7966 1 11 . 1 1 543 543 HIS N N 543 118.514 118.514 118.285 0.229 18462 7967 1 11 . 1 1 543 543 HIS HA H 543 4.257 4.257 4.274 -0.017 18462 7968 1 11 . 1 1 543 543 HIS C C 543 178.283 178.283 176.946 1.337 18462 7969 1 11 . 1 1 543 543 HIS CA C 543 58.758 58.758 58.420 0.338 18462 7970 1 11 . 1 1 543 543 HIS CB C 543 26.882 26.882 29.928 -3.046 18462 7971 1 11 . 1 1 543 543 HIS H H 543 7.744 7.744 7.659 0.085 18462 7972 1 11 . 1 1 544 544 HIS N N 544 115.805 115.805 116.888 -1.083 18462 7973 1 11 . 1 1 544 544 HIS HA H 544 4.317 4.317 4.335 -0.018 18462 7974 1 11 . 1 1 544 544 HIS C C 544 178.058 178.058 176.928 1.130 18462 7975 1 11 . 1 1 544 544 HIS CA C 544 58.054 58.054 58.690 -0.635 18462 7976 1 11 . 1 1 544 544 HIS CB C 544 36.882 36.882 30.345 6.537 18462 7977 1 11 . 1 1 544 544 HIS H H 544 7.537 7.537 7.407 0.130 18462 7978 1 11 . 1 1 545 545 THR N N 545 109.469 109.469 110.209 -0.740 18462 7979 1 11 . 1 1 545 545 THR HA H 545 4.184 4.184 3.991 0.193 18462 7980 1 11 . 1 1 545 545 THR C C 545 177.277 177.277 175.805 1.472 18462 7981 1 11 . 1 1 545 545 THR CA C 545 62.509 62.509 63.661 -1.153 18462 7982 1 11 . 1 1 545 545 THR CB C 545 68.839 68.839 69.680 -0.841 18462 7983 1 11 . 1 1 545 545 THR H H 545 7.991 7.991 8.088 -0.097 18462 7984 1 11 . 1 1 546 546 GLY N N 546 113.407 113.407 110.357 3.050 18462 7985 1 11 . 1 1 546 546 GLY C C 546 177.501 177.501 173.500 4.001 18462 7986 1 11 . 1 1 546 546 GLY CA C 546 44.935 44.935 45.002 -0.067 18462 7987 1 11 . 1 1 546 546 GLY H H 546 8.530 8.530 8.138 0.392 18462 7988 1 11 . 1 1 547 547 GLU N N 547 123.901 123.901 120.894 3.007 18462 7989 1 11 . 1 1 547 547 GLU HA H 547 3.913 3.913 4.113 -0.200 18462 7990 1 11 . 1 1 547 547 GLU C C 547 173.687 173.687 176.080 -2.393 18462 7991 1 11 . 1 1 547 547 GLU CA C 547 56.413 56.413 56.312 0.101 18462 7992 1 11 . 1 1 547 547 GLU CB C 547 29.123 29.123 30.383 -1.260 18462 7993 1 11 . 1 1 547 547 GLU H H 547 7.301 7.301 7.615 -0.314 18462 7994 1 11 . 1 1 548 548 ARG N N 548 128.505 128.505 126.042 2.463 18462 7995 1 11 . 1 1 548 548 ARG HA H 548 4.444 4.444 4.422 0.022 18462 7996 1 11 . 1 1 548 548 ARG C C 548 175.180 175.180 176.502 -1.322 18462 7997 1 11 . 1 1 548 548 ARG CA C 548 55.059 55.059 56.977 -1.918 18462 7998 1 11 . 1 1 548 548 ARG CB C 548 29.227 29.227 30.633 -1.406 18462 7999 1 11 . 1 1 548 548 ARG H H 548 8.752 8.752 8.614 0.138 18462 8000 1 11 . 1 1 549 549 ARG N N 549 121.815 121.815 118.381 3.434 18462 8001 1 11 . 1 1 549 549 ARG HA H 549 4.205 4.205 4.596 -0.391 18462 8002 1 11 . 1 1 549 549 ARG C C 549 175.850 175.850 175.408 0.442 18462 8003 1 11 . 1 1 549 549 ARG CA C 549 57.350 57.350 56.129 1.221 18462 8004 1 11 . 1 1 549 549 ARG CB C 549 32.980 32.980 32.469 0.511 18462 8005 1 11 . 1 1 549 549 ARG H H 549 9.440 9.440 8.875 0.565 18462 8006 1 11 . 1 1 550 550 TYR N N 550 116.087 116.087 121.792 -5.705 18462 8007 1 11 . 1 1 550 550 TYR C C 550 176.129 176.129 174.623 1.506 18462 8008 1 11 . 1 1 550 550 TYR CA C 550 58.169 58.169 57.158 1.011 18462 8009 1 11 . 1 1 550 550 TYR CB C 550 38.994 38.994 38.340 0.654 18462 8010 1 11 . 1 1 550 550 TYR H H 550 8.287 8.287 7.748 0.539 18462 8011 1 11 . 1 1 551 551 GLN N N 551 125.096 125.096 124.808 0.288 18462 8012 1 11 . 1 1 551 551 GLN HA H 551 5.275 5.275 5.170 0.105 18462 8013 1 11 . 1 1 551 551 GLN C C 551 175.080 175.080 174.921 0.159 18462 8014 1 11 . 1 1 551 551 GLN CA C 551 53.610 53.610 54.198 -0.588 18462 8015 1 11 . 1 1 551 551 GLN CB C 551 31.152 31.152 32.188 -1.036 18462 8016 1 11 . 1 1 551 551 GLN H H 551 9.656 9.656 9.411 0.245 18462 8017 1 11 . 1 1 552 552 CYS N N 552 128.697 128.697 126.315 2.382 18462 8018 1 11 . 1 1 552 552 CYS HA H 552 4.584 4.584 4.718 -0.134 18462 8019 1 11 . 1 1 552 552 CYS C C 552 175.231 175.231 175.218 0.013 18462 8020 1 11 . 1 1 552 552 CYS CA C 552 59.461 59.461 60.221 -0.760 18462 8021 1 11 . 1 1 552 552 CYS CB C 552 29.695 29.695 28.263 1.432 18462 8022 1 11 . 1 1 552 552 CYS H H 552 9.427 9.427 9.349 0.078 18462 8023 1 11 . 1 1 553 553 LEU N N 553 130.168 130.168 126.309 3.859 18462 8024 1 11 . 1 1 553 553 LEU HA H 553 4.396 4.396 4.454 -0.058 18462 8025 1 11 . 1 1 553 553 LEU C C 553 177.402 177.402 178.040 -0.638 18462 8026 1 11 . 1 1 553 553 LEU CA C 553 55.710 55.710 56.187 -0.477 18462 8027 1 11 . 1 1 553 553 LEU CB C 553 40.246 40.246 42.086 -1.840 18462 8028 1 11 . 1 1 553 553 LEU H H 553 8.632 8.632 9.067 -0.435 18462 8029 1 11 . 1 1 554 554 ALA N N 554 125.048 125.048 123.211 1.837 18462 8030 1 11 . 1 1 554 554 ALA HA H 554 4.295 4.295 4.109 0.186 18462 8031 1 11 . 1 1 554 554 ALA C C 554 177.657 177.657 178.104 -0.447 18462 8032 1 11 . 1 1 554 554 ALA CA C 554 53.610 53.610 54.264 -0.654 18462 8033 1 11 . 1 1 554 554 ALA CB C 554 16.577 16.577 18.778 -2.201 18462 8034 1 11 . 1 1 554 554 ALA H H 554 8.847 8.847 8.212 0.635 18462 8035 1 11 . 1 1 555 555 CYS N N 555 113.388 113.388 112.797 0.591 18462 8036 1 11 . 1 1 555 555 CYS HA H 555 5.299 5.299 4.982 0.317 18462 8037 1 11 . 1 1 555 555 CYS C C 555 178.854 178.854 176.021 2.833 18462 8038 1 11 . 1 1 555 555 CYS CA C 555 57.820 57.820 57.219 0.601 18462 8039 1 11 . 1 1 555 555 CYS CB C 555 31.665 31.665 29.638 2.027 18462 8040 1 11 . 1 1 555 555 CYS H H 555 8.146 8.146 7.865 0.281 18462 8041 1 11 . 1 1 556 556 GLY N N 556 114.264 114.264 110.049 4.215 18462 8042 1 11 . 1 1 556 556 GLY C C 556 176.084 176.084 174.527 1.557 18462 8043 1 11 . 1 1 556 556 GLY CA C 556 45.639 45.639 45.516 0.123 18462 8044 1 11 . 1 1 556 556 GLY H H 556 8.104 8.104 8.199 -0.095 18462 8045 1 11 . 1 1 557 557 LYS N N 557 123.318 123.318 121.220 2.098 18462 8046 1 11 . 1 1 557 557 LYS HA H 557 4.110 4.110 4.148 -0.038 18462 8047 1 11 . 1 1 557 557 LYS C C 557 174.300 174.300 175.683 -1.383 18462 8048 1 11 . 1 1 557 557 LYS CA C 557 57.585 57.585 56.676 0.909 18462 8049 1 11 . 1 1 557 557 LYS CB C 557 33.447 33.447 33.113 0.334 18462 8050 1 11 . 1 1 557 557 LYS H H 557 8.043 8.043 7.599 0.444 18462 8051 1 11 . 1 1 558 558 SER N N 558 115.947 115.947 116.803 -0.856 18462 8052 1 11 . 1 1 558 558 SER HA H 558 5.661 5.661 5.305 0.356 18462 8053 1 11 . 1 1 558 558 SER C C 558 174.321 174.321 173.409 0.912 18462 8054 1 11 . 1 1 558 558 SER CA C 558 56.179 56.179 56.964 -0.785 18462 8055 1 11 . 1 1 558 558 SER CB C 558 65.088 65.088 65.103 -0.015 18462 8056 1 11 . 1 1 558 558 SER H H 558 7.864 7.864 8.101 -0.237 18462 8057 1 11 . 1 1 559 559 PHE N N 559 117.815 117.815 121.584 -3.769 18462 8058 1 11 . 1 1 559 559 PHE HA H 559 4.781 4.781 4.885 -0.104 18462 8059 1 11 . 1 1 559 559 PHE C C 559 173.632 173.632 175.255 -1.623 18462 8060 1 11 . 1 1 559 559 PHE CA C 559 56.687 56.687 57.202 -0.515 18462 8061 1 11 . 1 1 559 559 PHE CB C 559 44.232 44.232 42.034 2.198 18462 8062 1 11 . 1 1 559 559 PHE H H 559 9.488 9.488 9.016 0.472 18462 8063 1 11 . 1 1 560 560 ILE N N 560 118.092 118.092 119.526 -1.434 18462 8064 1 11 . 1 1 560 560 ILE HA H 560 4.470 4.470 4.165 0.305 18462 8065 1 11 . 1 1 560 560 ILE C C 560 175.986 175.986 174.512 1.474 18462 8066 1 11 . 1 1 560 560 ILE CA C 560 62.040 62.040 62.667 -0.627 18462 8067 1 11 . 1 1 560 560 ILE CB C 560 39.308 39.308 38.484 0.824 18462 8068 1 11 . 1 1 560 560 ILE H H 560 9.306 9.306 8.554 0.752 18462 8069 1 11 . 1 1 561 561 ASN N N 561 114.751 114.751 112.305 2.446 18462 8070 1 11 . 1 1 561 561 ASN HA H 561 4.683 4.683 5.050 -0.367 18462 8071 1 11 . 1 1 561 561 ASN C C 561 175.350 175.350 174.544 0.806 18462 8072 1 11 . 1 1 561 561 ASN CA C 561 50.797 50.797 51.800 -1.002 18462 8073 1 11 . 1 1 561 561 ASN CB C 561 39.777 39.777 39.866 -0.089 18462 8074 1 11 . 1 1 561 561 ASN H H 561 7.387 7.387 7.712 -0.325 18462 8075 1 11 . 1 1 562 562 TYR N N 562 118.833 118.833 121.004 -2.171 18462 8076 1 11 . 1 1 562 562 TYR C C 562 172.730 172.730 177.124 -4.394 18462 8077 1 11 . 1 1 562 562 TYR CA C 562 59.907 59.907 62.106 -2.199 18462 8078 1 11 . 1 1 562 562 TYR CB C 562 38.480 38.480 38.276 0.204 18462 8079 1 11 . 1 1 562 562 TYR H H 562 8.243 8.243 8.891 -0.648 18462 8080 1 11 . 1 1 563 563 GLN N N 563 119.525 119.525 118.533 0.992 18462 8081 1 11 . 1 1 563 563 GLN HA H 563 3.720 3.720 3.990 -0.270 18462 8082 1 11 . 1 1 563 563 GLN C C 563 176.326 176.326 178.445 -2.119 18462 8083 1 11 . 1 1 563 563 GLN CA C 563 61.102 61.102 59.665 1.437 18462 8084 1 11 . 1 1 563 563 GLN CB C 563 25.450 25.450 27.716 -2.266 18462 8085 1 11 . 1 1 563 563 GLN H H 563 8.524 8.524 8.514 0.010 18462 8086 1 11 . 1 1 564 564 PHE N N 564 118.625 118.625 119.206 -0.581 18462 8087 1 11 . 1 1 564 564 PHE HA H 564 4.427 4.427 4.212 0.215 18462 8088 1 11 . 1 1 564 564 PHE C C 564 179.429 179.429 177.539 1.890 18462 8089 1 11 . 1 1 564 564 PHE CA C 564 59.461 59.461 60.436 -0.975 18462 8090 1 11 . 1 1 564 564 PHE CB C 564 38.488 38.488 38.702 -0.214 18462 8091 1 11 . 1 1 564 564 PHE H H 564 8.904 8.904 8.916 -0.012 18462 8092 1 11 . 1 1 565 565 MET N N 565 120.996 120.996 119.274 1.722 18462 8093 1 11 . 1 1 565 565 MET HA H 565 3.720 3.720 2.994 0.726 18462 8094 1 11 . 1 1 565 565 MET C C 565 178.642 178.642 177.562 1.080 18462 8095 1 11 . 1 1 565 565 MET CA C 565 58.037 58.037 57.684 0.353 18462 8096 1 11 . 1 1 565 565 MET H H 565 7.153 7.153 7.751 -0.598 18462 8097 1 11 . 1 1 566 566 SER N N 566 115.706 115.706 115.557 0.149 18462 8098 1 11 . 1 1 566 566 SER HA H 566 3.720 3.720 3.795 -0.075 18462 8099 1 11 . 1 1 566 566 SER C C 566 176.710 176.710 176.407 0.303 18462 8100 1 11 . 1 1 566 566 SER CA C 566 60.633 60.633 61.605 -0.972 18462 8101 1 11 . 1 1 566 566 SER CB C 566 62.040 62.040 62.731 -0.691 18462 8102 1 11 . 1 1 566 566 SER H H 566 8.918 8.918 8.272 0.646 18462 8103 1 11 . 1 1 567 567 SER N N 567 114.335 114.335 116.997 -2.662 18462 8104 1 11 . 1 1 567 567 SER HA H 567 4.212 4.212 4.060 0.152 18462 8105 1 11 . 1 1 567 567 SER C C 567 176.849 176.849 176.703 0.146 18462 8106 1 11 . 1 1 567 567 SER CA C 567 60.868 60.868 61.272 -0.404 18462 8107 1 11 . 1 1 567 567 SER CB C 567 61.806 61.806 63.127 -1.321 18462 8108 1 11 . 1 1 567 567 SER H H 567 7.933 7.933 7.599 0.334 18462 8109 1 11 . 1 1 568 568 HIS N N 568 120.659 120.659 122.620 -1.961 18462 8110 1 11 . 1 1 568 568 HIS HA H 568 4.327 4.327 4.292 0.035 18462 8111 1 11 . 1 1 568 568 HIS C C 568 177.652 177.652 177.491 0.161 18462 8112 1 11 . 1 1 568 568 HIS CA C 568 58.992 58.992 59.326 -0.334 18462 8113 1 11 . 1 1 568 568 HIS CB C 568 27.234 27.234 29.334 -2.100 18462 8114 1 11 . 1 1 568 568 HIS H H 568 7.594 7.594 8.010 -0.416 18462 8115 1 11 . 1 1 569 569 ILE N N 569 120.858 120.858 119.532 1.326 18462 8116 1 11 . 1 1 569 569 ILE HA H 569 3.562 3.562 3.550 0.012 18462 8117 1 11 . 1 1 569 569 ILE C C 569 175.925 175.925 178.276 -2.351 18462 8118 1 11 . 1 1 569 569 ILE CA C 569 66.729 66.729 65.179 1.550 18462 8119 1 11 . 1 1 569 569 ILE CB C 569 37.198 37.198 37.750 -0.552 18462 8120 1 11 . 1 1 569 569 ILE H H 569 8.640 8.640 7.982 0.658 18462 8121 1 11 . 1 1 570 570 LYS N N 570 118.876 118.876 119.888 -1.012 18462 8122 1 11 . 1 1 570 570 LYS HA H 570 4.329 4.329 4.260 0.069 18462 8123 1 11 . 1 1 570 570 LYS C C 570 178.927 178.927 179.210 -0.283 18462 8124 1 11 . 1 1 570 570 LYS CA C 570 59.461 59.461 59.432 0.029 18462 8125 1 11 . 1 1 570 570 LYS CB C 570 32.743 32.743 32.671 0.072 18462 8126 1 11 . 1 1 570 570 LYS H H 570 8.463 8.463 7.942 0.521 18462 8127 1 11 . 1 1 571 571 SER N N 571 112.612 112.612 114.223 -1.611 18462 8128 1 11 . 1 1 571 571 SER HA H 571 4.323 4.323 4.251 0.072 18462 8129 1 11 . 1 1 571 571 SER C C 571 179.258 179.258 176.018 3.240 18462 8130 1 11 . 1 1 571 571 SER CA C 571 59.930 59.930 61.270 -1.339 18462 8131 1 11 . 1 1 571 571 SER CB C 571 62.978 62.978 63.437 -0.459 18462 8132 1 11 . 1 1 571 571 SER H H 571 7.997 7.997 8.085 -0.088 18462 8133 1 11 . 1 1 572 572 VAL N N 572 120.208 120.208 120.566 -0.358 18462 8134 1 11 . 1 1 572 572 VAL HA H 572 3.789 3.789 3.749 0.040 18462 8135 1 11 . 1 1 572 572 VAL C C 572 176.245 176.245 176.962 -0.717 18462 8136 1 11 . 1 1 572 572 VAL CA C 572 63.916 63.916 64.737 -0.821 18462 8137 1 11 . 1 1 572 572 VAL CB C 572 31.337 31.337 31.965 -0.628 18462 8138 1 11 . 1 1 572 572 VAL H H 572 8.615 8.615 7.853 0.762 18462 8139 1 11 . 1 1 573 573 HIS N N 573 113.735 113.735 117.061 -3.326 18462 8140 1 11 . 1 1 573 573 HIS HA H 573 5.102 5.102 4.655 0.447 18462 8141 1 11 . 1 1 573 573 HIS C C 573 177.042 177.042 174.705 2.337 18462 8142 1 11 . 1 1 573 573 HIS CA C 573 53.376 53.376 55.266 -1.890 18462 8143 1 11 . 1 1 573 573 HIS CB C 573 28.210 28.210 30.157 -1.946 18462 8144 1 11 . 1 1 573 573 HIS H H 573 7.067 7.067 7.578 -0.511 18462 8145 1 11 . 1 1 574 574 SER N N 574 112.537 112.537 112.675 -0.138 18462 8146 1 11 . 1 1 574 574 SER HA H 574 4.421 4.421 4.299 0.122 18462 8147 1 11 . 1 1 574 574 SER C C 574 174.525 174.525 173.754 0.771 18462 8148 1 11 . 1 1 574 574 SER CA C 574 58.054 58.054 59.614 -1.560 18462 8149 1 11 . 1 1 574 574 SER CB C 574 61.102 61.102 61.807 -0.705 18462 8150 1 11 . 1 1 574 574 SER H H 574 7.325 7.325 8.110 -0.785 18462 8151 1 11 . 1 1 575 575 GLN N N 575 117.032 117.032 117.534 -0.502 18462 8152 1 11 . 1 1 575 575 GLN HA H 575 4.659 4.659 4.517 0.142 18462 8153 1 11 . 1 1 575 575 GLN C C 575 173.993 173.993 173.593 0.400 18462 8154 1 11 . 1 1 575 575 GLN CA C 575 53.376 53.376 54.123 -0.747 18462 8155 1 11 . 1 1 575 575 GLN CB C 575 32.743 32.743 32.903 -0.160 18462 8156 1 11 . 1 1 575 575 GLN H H 575 7.480 7.480 7.272 0.208 18462 8157 1 11 . 1 1 576 576 ASP N N 576 118.953 118.953 121.329 -2.376 18462 8158 1 11 . 1 1 576 576 ASP HA H 576 4.992 4.992 4.972 0.020 18462 8159 1 11 . 1 1 576 576 ASP C C 576 173.387 173.387 176.001 -2.614 18462 8160 1 11 . 1 1 576 576 ASP CA C 576 50.094 50.094 50.026 0.068 18462 8161 1 11 . 1 1 576 576 ASP CB C 576 41.301 41.301 42.098 -0.797 18462 8162 1 11 . 1 1 576 576 ASP H H 576 8.173 8.173 8.548 -0.375 18462 8163 1 11 . 1 1 577 577 PRO HA H 577 4.629 4.629 4.733 -0.104 18462 8164 1 11 . 1 1 577 577 PRO CA C 577 63.212 63.212 63.836 -0.624 18462 8165 1 11 . 1 1 577 577 PRO CB C 577 31.806 31.806 32.671 -0.865 18462 8166 1 11 . 1 1 578 578 SER N N 578 114.986 114.986 113.325 1.661 18462 8167 1 11 . 1 1 578 578 SER HA H 578 4.820 4.820 4.452 0.368 18462 8168 1 11 . 1 1 578 578 SER C C 578 176.301 176.301 175.726 0.575 18462 8169 1 11 . 1 1 578 578 SER CA C 578 58.054 58.054 59.036 -0.982 18462 8170 1 11 . 1 1 578 578 SER CB C 578 63.447 63.447 63.418 0.029 18462 8171 1 11 . 1 1 578 578 SER H H 578 8.387 8.387 8.292 0.095 18462 8172 1 11 . 1 1 579 579 GLY N N 579 111.279 111.279 110.513 0.766 18462 8173 1 11 . 1 1 579 579 GLY C C 579 175.262 175.262 174.256 1.006 18462 8174 1 11 . 1 1 579 579 GLY CA C 579 44.935 44.935 45.026 -0.091 18462 8175 1 11 . 1 1 579 579 GLY H H 579 8.554 8.554 7.425 1.129 18462 8176 1 11 . 1 1 580 580 ASP N N 580 121.402 121.402 119.966 1.436 18462 8177 1 11 . 1 1 580 580 ASP HA H 580 4.700 4.700 4.785 -0.085 18462 8178 1 11 . 1 1 580 580 ASP C C 580 174.329 174.329 176.697 -2.368 18462 8179 1 11 . 1 1 580 580 ASP CA C 580 53.845 53.845 53.793 0.052 18462 8180 1 11 . 1 1 580 580 ASP CB C 580 40.012 40.012 40.354 -0.342 18462 8181 1 11 . 1 1 580 580 ASP H H 580 8.386 8.386 8.316 0.070 18462 8182 1 11 . 1 1 581 581 SER N N 581 115.668 115.668 116.447 -0.779 18462 8183 1 11 . 1 1 581 581 SER HA H 581 4.421 4.421 4.383 0.038 18462 8184 1 11 . 1 1 581 581 SER C C 581 176.108 176.108 174.968 1.140 18462 8185 1 11 . 1 1 581 581 SER CA C 581 58.054 58.054 58.912 -0.858 18462 8186 1 11 . 1 1 581 581 SER CB C 581 63.212 63.212 64.112 -0.900 18462 8187 1 11 . 1 1 581 581 SER H H 581 8.015 8.015 8.231 -0.216 18462 8188 1 11 . 1 1 582 582 LYS N N 582 120.544 120.544 120.210 0.334 18462 8189 1 11 . 1 1 582 582 LYS HA H 582 4.329 4.329 4.014 0.315 18462 8190 1 11 . 1 1 582 582 LYS C C 582 174.302 174.302 175.411 -1.109 18462 8191 1 11 . 1 1 582 582 LYS CA C 582 55.944 55.944 56.925 -0.981 18462 8192 1 11 . 1 1 582 582 LYS CB C 582 30.868 30.868 30.142 0.726 18462 8193 1 11 . 1 1 582 582 LYS H H 582 8.453 8.453 8.387 0.066 18462 8194 1 11 . 1 1 583 583 LEU N N 583 119.514 119.514 118.600 0.914 18462 8195 1 11 . 1 1 583 583 LEU HA H 583 4.458 4.458 4.423 0.035 18462 8196 1 11 . 1 1 583 583 LEU C C 583 176.924 176.924 175.109 1.815 18462 8197 1 11 . 1 1 583 583 LEU CA C 583 54.303 54.303 54.322 -0.019 18462 8198 1 11 . 1 1 583 583 LEU CB C 583 43.060 43.060 42.337 0.723 18462 8199 1 11 . 1 1 583 583 LEU H H 583 8.391 8.391 8.524 -0.133 18462 8200 1 11 . 1 1 584 584 TYR N N 584 115.291 115.291 114.678 0.613 18462 8201 1 11 . 1 1 584 584 TYR HA H 584 5.714 5.714 5.502 0.212 18462 8202 1 11 . 1 1 584 584 TYR C C 584 175.675 175.675 173.598 2.077 18462 8203 1 11 . 1 1 584 584 TYR CA C 584 54.303 54.303 55.033 -0.730 18462 8204 1 11 . 1 1 584 584 TYR CB C 584 42.420 42.420 41.804 0.616 18462 8205 1 11 . 1 1 584 584 TYR H H 584 7.625 7.625 7.160 0.465 18462 8206 1 11 . 1 1 585 585 ARG N N 585 120.321 120.321 120.960 -0.639 18462 8207 1 11 . 1 1 585 585 ARG HA H 585 4.407 4.407 4.594 -0.187 18462 8208 1 11 . 1 1 585 585 ARG C C 585 172.342 172.342 174.042 -1.700 18462 8209 1 11 . 1 1 585 585 ARG CA C 585 53.376 53.376 54.357 -0.981 18462 8210 1 11 . 1 1 585 585 ARG CB C 585 33.916 33.916 34.810 -0.895 18462 8211 1 11 . 1 1 585 585 ARG H H 585 9.141 9.141 8.938 0.203 18462 8212 1 11 . 1 1 586 586 LEU N N 586 129.013 129.013 127.579 1.434 18462 8213 1 11 . 1 1 586 586 LEU HA H 586 4.768 4.768 5.126 -0.358 18462 8214 1 11 . 1 1 586 586 LEU C C 586 173.449 173.449 175.546 -2.097 18462 8215 1 11 . 1 1 586 586 LEU CA C 586 52.438 52.438 54.112 -1.674 18462 8216 1 11 . 1 1 586 586 LEU CB C 586 41.653 41.653 43.091 -1.438 18462 8217 1 11 . 1 1 586 586 LEU H H 586 8.581 8.581 8.621 -0.040 18462 8218 1 11 . 1 1 587 587 HIS N N 587 127.447 127.447 126.005 1.442 18462 8219 1 11 . 1 1 587 587 HIS HA H 587 4.650 4.650 5.004 -0.354 18462 8220 1 11 . 1 1 587 587 HIS C C 587 175.512 175.512 173.281 2.231 18462 8221 1 11 . 1 1 587 587 HIS CA C 587 55.544 55.544 54.170 1.374 18462 8222 1 11 . 1 1 587 587 HIS CB C 587 29.930 29.930 31.219 -1.289 18462 8223 1 11 . 1 1 587 587 HIS H H 587 9.132 9.132 8.944 0.188 18462 8224 1 11 . 1 1 588 588 PRO HA H 588 4.441 4.441 4.454 -0.013 18462 8225 1 11 . 1 1 588 588 PRO CA C 588 62.509 62.509 63.656 -1.147 18462 8226 1 11 . 1 1 588 588 PRO CB C 588 31.688 31.688 32.177 -0.489 18462 8227 1 11 . 1 1 589 589 CYS N N 589 124.057 124.057 122.586 1.471 18462 8228 1 11 . 1 1 589 589 CYS HA H 589 4.275 4.275 4.550 -0.275 18462 8229 1 11 . 1 1 589 589 CYS C C 589 174.401 174.401 174.786 -0.385 18462 8230 1 11 . 1 1 589 589 CYS CA C 589 58.289 58.289 58.621 -0.332 18462 8231 1 11 . 1 1 589 589 CYS CB C 589 26.413 26.413 28.938 -2.525 18462 8232 1 11 . 1 1 589 589 CYS H H 589 9.475 9.475 8.709 0.766 18462 8233 1 11 . 1 1 590 590 ARG N N 590 130.942 130.942 124.752 6.190 18462 8234 1 11 . 1 1 590 590 ARG HA H 590 4.689 4.689 4.561 0.128 18462 8235 1 11 . 1 1 590 590 ARG C C 590 175.091 175.091 176.696 -1.605 18462 8236 1 11 . 1 1 590 590 ARG CA C 590 55.241 55.241 55.854 -0.613 18462 8237 1 11 . 1 1 590 590 ARG CB C 590 30.633 30.633 31.485 -0.852 18462 8238 1 11 . 1 1 590 590 ARG H H 590 7.227 7.227 9.301 -2.074 18462 8239 1 11 . 1 1 591 591 SER N N 591 117.243 117.243 116.406 0.837 18462 8240 1 11 . 1 1 591 591 SER HA H 591 4.342 4.342 4.343 -0.001 18462 8241 1 11 . 1 1 591 591 SER C C 591 178.367 178.367 175.134 3.233 18462 8242 1 11 . 1 1 591 591 SER CA C 591 59.695 59.695 60.840 -1.145 18462 8243 1 11 . 1 1 591 591 SER CB C 591 61.923 61.923 64.085 -2.162 18462 8244 1 11 . 1 1 591 591 SER H H 591 9.571 9.571 8.748 0.823 18462 8245 1 11 . 1 1 592 592 LEU N N 592 121.308 121.308 117.777 3.531 18462 8246 1 11 . 1 1 592 592 LEU HA H 592 4.778 4.778 4.791 -0.013 18462 8247 1 11 . 1 1 592 592 LEU C C 592 173.260 173.260 175.244 -1.984 18462 8248 1 11 . 1 1 592 592 LEU CA C 592 52.846 52.846 53.033 -0.187 18462 8249 1 11 . 1 1 592 592 LEU CB C 592 45.404 45.404 43.133 2.271 18462 8250 1 11 . 1 1 592 592 LEU H H 592 7.369 7.369 7.417 -0.048 18462 8251 1 11 . 1 1 593 593 GLN N N 593 122.109 122.109 119.358 2.751 18462 8252 1 11 . 1 1 593 593 GLN HA H 593 4.564 4.564 4.435 0.129 18462 8253 1 11 . 1 1 593 593 GLN C C 593 175.827 175.827 175.151 0.676 18462 8254 1 11 . 1 1 593 593 GLN CA C 593 54.303 54.303 56.137 -1.834 18462 8255 1 11 . 1 1 593 593 GLN CB C 593 26.882 26.882 27.588 -0.706 18462 8256 1 11 . 1 1 593 593 GLN H H 593 8.599 8.599 8.473 0.126 18462 8257 1 11 . 1 1 594 594 ILE N N 594 118.085 118.085 121.038 -2.953 18462 8258 1 11 . 1 1 594 594 ILE HA H 594 4.755 4.755 4.589 0.166 18462 8259 1 11 . 1 1 594 594 ILE C C 594 175.093 175.093 174.473 0.620 18462 8260 1 11 . 1 1 594 594 ILE CA C 594 58.831 58.831 59.111 -0.280 18462 8261 1 11 . 1 1 594 594 ILE CB C 594 42.591 42.591 40.915 1.676 18462 8262 1 11 . 1 1 594 594 ILE H H 594 7.635 7.635 7.876 -0.241 18462 8263 1 11 . 1 1 595 595 ARG N N 595 123.800 123.800 121.147 2.653 18462 8264 1 11 . 1 1 595 595 ARG HA H 595 4.038 4.038 4.396 -0.358 18462 8265 1 11 . 1 1 595 595 ARG C C 595 175.440 175.440 175.554 -0.114 18462 8266 1 11 . 1 1 595 595 ARG CA C 595 56.386 56.386 55.673 0.713 18462 8267 1 11 . 1 1 595 595 ARG CB C 595 30.516 30.516 30.768 -0.252 18462 8268 1 11 . 1 1 595 595 ARG H H 595 9.075 9.075 8.171 0.904 18462 8269 1 11 . 1 1 596 596 GLN N N 596 124.290 124.290 120.816 3.474 18462 8270 1 11 . 1 1 596 596 GLN HA H 596 4.420 4.420 4.359 0.061 18462 8271 1 11 . 1 1 596 596 GLN C C 596 174.630 174.630 174.845 -0.215 18462 8272 1 11 . 1 1 596 596 GLN CA C 596 52.907 52.907 54.530 -1.623 18462 8273 1 11 . 1 1 596 596 GLN CB C 596 30.164 30.164 30.648 -0.483 18462 8274 1 11 . 1 1 596 596 GLN H H 596 8.495 8.495 8.368 0.127 18462 8275 1 11 . 1 1 597 597 TYR N N 597 121.829 121.829 121.625 0.204 18462 8276 1 11 . 1 1 597 597 TYR HA H 597 4.767 4.767 4.210 0.557 18462 8277 1 11 . 1 1 597 597 TYR C C 597 175.453 175.453 177.148 -1.695 18462 8278 1 11 . 1 1 597 597 TYR CA C 597 57.467 57.467 58.032 -0.565 18462 8279 1 11 . 1 1 597 597 TYR CB C 597 38.839 38.839 38.674 0.165 18462 8280 1 11 . 1 1 597 597 TYR H H 597 7.966 7.966 8.432 -0.466 18462 8281 1 11 . 1 1 598 598 ALA N N 598 129.272 129.272 125.971 3.301 18462 8282 1 11 . 1 1 598 598 ALA HA H 598 4.191 4.191 4.098 0.093 18462 8283 1 11 . 1 1 598 598 ALA C C 598 177.425 177.425 177.350 0.075 18462 8284 1 11 . 1 1 598 598 ALA CA C 598 54.040 54.040 54.041 -0.001 18462 8285 1 11 . 1 1 598 598 ALA CB C 598 17.749 17.749 18.101 -0.352 18462 8286 1 11 . 1 1 598 598 ALA H H 598 9.540 9.540 8.810 0.730 18462 8287 1 11 . 1 1 599 599 TYR N N 599 115.845 115.845 113.712 2.133 18462 8288 1 11 . 1 1 599 599 TYR HA H 599 4.560 4.560 4.577 -0.017 18462 8289 1 11 . 1 1 599 599 TYR C C 599 173.276 173.276 175.875 -2.599 18462 8290 1 11 . 1 1 599 599 TYR CA C 599 58.172 58.172 58.263 -0.091 18462 8291 1 11 . 1 1 599 599 TYR CB C 599 36.432 36.432 38.325 -1.893 18462 8292 1 11 . 1 1 599 599 TYR H H 599 8.496 8.496 7.926 0.570 18462 8293 1 11 . 1 1 600 600 LEU N N 600 120.764 120.764 119.620 1.144 18462 8294 1 11 . 1 1 600 600 LEU HA H 600 4.260 4.260 4.326 -0.066 18462 8295 1 11 . 1 1 600 600 LEU C C 600 176.164 176.164 178.071 -1.907 18462 8296 1 11 . 1 1 600 600 LEU CA C 600 54.303 54.303 55.400 -1.097 18462 8297 1 11 . 1 1 600 600 LEU CB C 600 41.419 41.419 41.410 0.009 18462 8298 1 11 . 1 1 600 600 LEU H H 600 7.299 7.299 7.661 -0.362 18462 8299 1 11 . 1 1 601 601 SER N N 601 114.419 114.419 112.933 1.486 18462 8300 1 11 . 1 1 601 601 SER HA H 601 4.418 4.418 4.350 0.068 18462 8301 1 11 . 1 1 601 601 SER C C 601 177.754 177.754 174.454 3.300 18462 8302 1 11 . 1 1 601 601 SER CA C 601 58.054 58.054 58.595 -0.541 18462 8303 1 11 . 1 1 601 601 SER CB C 601 63.212 63.212 63.514 -0.302 18462 8304 1 11 . 1 1 601 601 SER H H 601 7.896 7.896 7.523 0.373 18462 8305 1 11 . 1 1 602 602 ASP N N 602 122.293 122.293 121.701 0.592 18462 8306 1 11 . 1 1 602 602 ASP HA H 602 4.651 4.651 4.700 -0.049 18462 8307 1 11 . 1 1 602 602 ASP C C 602 174.087 174.087 175.298 -1.211 18462 8308 1 11 . 1 1 602 602 ASP CA C 602 53.845 53.845 54.507 -0.662 18462 8309 1 11 . 1 1 602 602 ASP CB C 602 40.481 40.481 41.827 -1.346 18462 8310 1 11 . 1 1 602 602 ASP H H 602 8.257 8.257 7.840 0.417 18462 8311 1 11 . 1 1 603 603 ARG N N 603 121.398 121.398 120.843 0.555 18462 8312 1 11 . 1 1 603 603 ARG HA H 603 4.454 4.454 4.560 -0.106 18462 8313 1 11 . 1 1 603 603 ARG C C 603 176.111 176.111 175.978 0.133 18462 8314 1 11 . 1 1 603 603 ARG CA C 603 55.241 55.241 55.403 -0.162 18462 8315 1 11 . 1 1 603 603 ARG CB C 603 30.164 30.164 31.398 -1.234 18462 8316 1 11 . 1 1 603 603 ARG H H 603 8.234 8.234 8.442 -0.208 18462 8317 1 12 . 1 1 473 473 ASN HA H 473 4.815 4.815 5.241 -0.426 18462 8318 1 12 . 1 1 473 473 ASN CA C 473 52.204 52.204 53.263 -1.059 18462 8319 1 12 . 1 1 473 473 ASN CB C 473 38.371 38.371 39.499 -1.128 18462 8320 1 12 . 1 1 474 474 LYS N N 474 122.150 122.150 119.923 2.227 18462 8321 1 12 . 1 1 474 474 LYS HA H 474 4.375 4.375 4.885 -0.510 18462 8322 1 12 . 1 1 474 474 LYS C C 474 174.965 174.965 175.066 -0.101 18462 8323 1 12 . 1 1 474 474 LYS CA C 474 55.944 55.944 55.241 0.703 18462 8324 1 12 . 1 1 474 474 LYS CB C 474 32.405 32.405 34.780 -2.375 18462 8325 1 12 . 1 1 474 474 LYS H H 474 8.586 8.586 8.377 0.209 18462 8326 1 12 . 1 1 475 475 ARG N N 475 122.278 122.278 121.220 1.058 18462 8327 1 12 . 1 1 475 475 ARG HA H 475 4.374 4.374 4.894 -0.520 18462 8328 1 12 . 1 1 475 475 ARG C C 475 176.695 176.695 174.955 1.740 18462 8329 1 12 . 1 1 475 475 ARG CA C 475 55.944 55.944 55.129 0.815 18462 8330 1 12 . 1 1 475 475 ARG CB C 475 30.164 30.164 32.453 -2.289 18462 8331 1 12 . 1 1 475 475 ARG H H 475 8.662 8.662 8.918 -0.256 18462 8332 1 12 . 1 1 476 476 MET N N 476 122.046 122.046 120.497 1.549 18462 8333 1 12 . 1 1 476 476 MET HA H 476 4.496 4.496 4.728 -0.232 18462 8334 1 12 . 1 1 476 476 MET C C 476 176.359 176.359 174.751 1.608 18462 8335 1 12 . 1 1 476 476 MET CA C 476 54.537 54.537 54.577 -0.040 18462 8336 1 12 . 1 1 476 476 MET CB C 476 32.509 32.509 34.930 -2.421 18462 8337 1 12 . 1 1 476 476 MET H H 476 8.490 8.490 8.362 0.128 18462 8338 1 12 . 1 1 477 477 LYS N N 477 123.768 123.768 123.158 0.610 18462 8339 1 12 . 1 1 477 477 LYS HA H 477 4.384 4.384 4.561 -0.177 18462 8340 1 12 . 1 1 477 477 LYS C C 477 176.015 176.015 175.122 0.893 18462 8341 1 12 . 1 1 477 477 LYS CA C 477 55.834 55.834 55.885 -0.051 18462 8342 1 12 . 1 1 477 477 LYS CB C 477 32.107 32.107 31.645 0.462 18462 8343 1 12 . 1 1 477 477 LYS H H 477 8.472 8.472 8.353 0.119 18462 8344 1 12 . 1 1 478 478 VAL N N 478 122.460 122.460 116.003 6.457 18462 8345 1 12 . 1 1 478 478 VAL HA H 478 4.054 4.054 4.167 -0.113 18462 8346 1 12 . 1 1 478 478 VAL C C 478 176.320 176.320 175.693 0.627 18462 8347 1 12 . 1 1 478 478 VAL CA C 478 61.337 61.337 61.325 0.012 18462 8348 1 12 . 1 1 478 478 VAL CB C 478 32.275 32.275 31.985 0.290 18462 8349 1 12 . 1 1 478 478 VAL H H 478 8.230 8.230 7.634 0.596 18462 8350 1 12 . 1 1 479 479 LYS N N 479 126.119 126.119 125.236 0.883 18462 8351 1 12 . 1 1 479 479 LYS HA H 479 4.365 4.365 4.083 0.282 18462 8352 1 12 . 1 1 479 479 LYS C C 479 175.605 175.605 175.572 0.033 18462 8353 1 12 . 1 1 479 479 LYS CA C 479 55.006 55.006 56.134 -1.128 18462 8354 1 12 . 1 1 479 479 LYS CB C 479 32.098 32.098 32.992 -0.894 18462 8355 1 12 . 1 1 479 479 LYS H H 479 8.453 8.453 8.277 0.176 18462 8356 1 12 . 1 1 480 480 HIS N N 480 121.065 121.065 119.776 1.289 18462 8357 1 12 . 1 1 480 480 HIS HA H 480 4.713 4.713 4.711 0.002 18462 8358 1 12 . 1 1 480 480 HIS C C 480 175.937 175.937 175.418 0.519 18462 8359 1 12 . 1 1 480 480 HIS CA C 480 54.537 54.537 55.350 -0.813 18462 8360 1 12 . 1 1 480 480 HIS CB C 480 30.047 30.047 31.826 -1.779 18462 8361 1 12 . 1 1 480 480 HIS H H 480 8.559 8.559 8.354 0.205 18462 8362 1 12 . 1 1 481 481 ASP HA H 481 4.392 4.392 4.578 -0.186 18462 8363 1 12 . 1 1 481 481 ASP C C 481 174.413 174.413 175.866 -1.453 18462 8364 1 12 . 1 1 481 481 ASP CA C 481 52.907 52.907 54.871 -1.964 18462 8365 1 12 . 1 1 481 481 ASP CB C 481 39.543 39.543 40.745 -1.202 18462 8366 1 12 . 1 1 482 482 ASP N N 482 118.362 118.362 117.965 0.397 18462 8367 1 12 . 1 1 482 482 ASP HA H 482 4.710 4.710 4.500 0.210 18462 8368 1 12 . 1 1 482 482 ASP C C 482 175.104 175.104 175.137 -0.033 18462 8369 1 12 . 1 1 482 482 ASP CA C 482 53.376 53.376 53.958 -0.582 18462 8370 1 12 . 1 1 482 482 ASP CB C 482 39.308 39.308 39.385 -0.077 18462 8371 1 12 . 1 1 482 482 ASP H H 482 8.216 8.216 8.405 -0.189 18462 8372 1 12 . 1 1 483 483 HIS N N 483 113.578 113.578 113.016 0.562 18462 8373 1 12 . 1 1 483 483 HIS HA H 483 5.886 5.886 5.329 0.557 18462 8374 1 12 . 1 1 483 483 HIS C C 483 175.274 175.274 172.792 2.482 18462 8375 1 12 . 1 1 483 483 HIS CA C 483 55.241 55.241 55.300 -0.059 18462 8376 1 12 . 1 1 483 483 HIS CB C 483 32.040 32.040 31.384 0.657 18462 8377 1 12 . 1 1 483 483 HIS H H 483 7.692 7.692 7.081 0.611 18462 8378 1 12 . 1 1 484 484 TYR N N 484 116.271 116.271 114.479 1.792 18462 8379 1 12 . 1 1 484 484 TYR HA H 484 5.003 5.003 4.962 0.041 18462 8380 1 12 . 1 1 484 484 TYR C C 484 180.038 180.038 173.780 6.258 18462 8381 1 12 . 1 1 484 484 TYR CA C 484 55.241 55.241 56.418 -1.177 18462 8382 1 12 . 1 1 484 484 TYR CB C 484 39.777 39.777 40.363 -0.586 18462 8383 1 12 . 1 1 484 484 TYR H H 484 8.493 8.493 8.872 -0.379 18462 8384 1 12 . 1 1 485 485 GLU N N 485 120.840 120.840 121.488 -0.648 18462 8385 1 12 . 1 1 485 485 GLU HA H 485 5.301 5.301 5.269 0.032 18462 8386 1 12 . 1 1 485 485 GLU C C 485 174.101 174.101 175.765 -1.664 18462 8387 1 12 . 1 1 485 485 GLU CA C 485 54.772 54.772 55.492 -0.720 18462 8388 1 12 . 1 1 485 485 GLU CB C 485 31.337 31.337 31.648 -0.311 18462 8389 1 12 . 1 1 485 485 GLU H H 485 8.873 8.873 8.695 0.178 18462 8390 1 12 . 1 1 486 486 LEU N N 486 125.807 125.807 126.011 -0.204 18462 8391 1 12 . 1 1 486 486 LEU HA H 486 4.762 4.762 4.796 -0.034 18462 8392 1 12 . 1 1 486 486 LEU C C 486 175.613 175.613 174.882 0.731 18462 8393 1 12 . 1 1 486 486 LEU CA C 486 53.645 53.645 54.586 -0.941 18462 8394 1 12 . 1 1 486 486 LEU CB C 486 45.873 45.873 45.159 0.714 18462 8395 1 12 . 1 1 486 486 LEU H H 486 8.957 8.957 8.910 0.047 18462 8396 1 12 . 1 1 487 487 ILE N N 487 125.332 125.332 127.878 -2.546 18462 8397 1 12 . 1 1 487 487 ILE HA H 487 5.007 5.007 4.489 0.518 18462 8398 1 12 . 1 1 487 487 ILE C C 487 174.543 174.543 175.412 -0.869 18462 8399 1 12 . 1 1 487 487 ILE CA C 487 59.695 59.695 61.362 -1.667 18462 8400 1 12 . 1 1 487 487 ILE CB C 487 37.433 37.433 38.233 -0.800 18462 8401 1 12 . 1 1 487 487 ILE H H 487 8.549 8.549 8.405 0.144 18462 8402 1 12 . 1 1 488 488 VAL N N 488 129.307 129.307 128.168 1.139 18462 8403 1 12 . 1 1 488 488 VAL HA H 488 4.304 4.304 4.157 0.147 18462 8404 1 12 . 1 1 488 488 VAL C C 488 176.678 176.678 175.454 1.224 18462 8405 1 12 . 1 1 488 488 VAL CA C 488 60.868 60.868 60.499 0.369 18462 8406 1 12 . 1 1 488 488 VAL CB C 488 33.681 33.681 34.216 -0.535 18462 8407 1 12 . 1 1 488 488 VAL H H 488 9.456 9.456 8.628 0.828 18462 8408 1 12 . 1 1 489 489 ASP N N 489 128.884 128.884 127.549 1.335 18462 8409 1 12 . 1 1 489 489 ASP HA H 489 4.301 4.301 4.250 0.051 18462 8410 1 12 . 1 1 489 489 ASP C C 489 176.084 176.084 177.206 -1.122 18462 8411 1 12 . 1 1 489 489 ASP CA C 489 54.537 54.537 54.740 -0.203 18462 8412 1 12 . 1 1 489 489 ASP CB C 489 39.074 39.074 40.544 -1.470 18462 8413 1 12 . 1 1 489 489 ASP H H 489 9.144 9.144 9.101 0.043 18462 8414 1 12 . 1 1 490 490 GLY N N 490 102.410 102.410 102.326 0.084 18462 8415 1 12 . 1 1 490 490 GLY C C 490 175.998 175.998 173.973 2.025 18462 8416 1 12 . 1 1 490 490 GLY CA C 490 44.818 44.818 45.449 -0.631 18462 8417 1 12 . 1 1 490 490 GLY H H 490 8.210 8.210 8.331 -0.121 18462 8418 1 12 . 1 1 491 491 ARG N N 491 122.605 122.605 120.647 1.958 18462 8419 1 12 . 1 1 491 491 ARG HA H 491 4.597 4.597 4.594 0.003 18462 8420 1 12 . 1 1 491 491 ARG C C 491 173.256 173.256 174.955 -1.699 18462 8421 1 12 . 1 1 491 491 ARG CA C 491 53.610 53.610 54.449 -0.839 18462 8422 1 12 . 1 1 491 491 ARG CB C 491 32.040 32.040 31.993 0.047 18462 8423 1 12 . 1 1 491 491 ARG H H 491 7.938 7.938 7.783 0.155 18462 8424 1 12 . 1 1 492 492 VAL N N 492 123.769 123.769 124.258 -0.489 18462 8425 1 12 . 1 1 492 492 VAL HA H 492 4.128 4.128 3.778 0.350 18462 8426 1 12 . 1 1 492 492 VAL C C 492 173.470 173.470 175.272 -1.802 18462 8427 1 12 . 1 1 492 492 VAL CA C 492 62.210 62.210 62.698 -0.488 18462 8428 1 12 . 1 1 492 492 VAL CB C 492 32.040 32.040 31.771 0.269 18462 8429 1 12 . 1 1 492 492 VAL H H 492 8.157 8.157 8.507 -0.350 18462 8430 1 12 . 1 1 493 493 TYR N N 493 124.842 124.842 126.733 -1.891 18462 8431 1 12 . 1 1 493 493 TYR HA H 493 4.632 4.632 4.766 -0.134 18462 8432 1 12 . 1 1 493 493 TYR C C 493 174.288 174.288 175.195 -0.907 18462 8433 1 12 . 1 1 493 493 TYR CA C 493 56.308 56.308 53.754 2.554 18462 8434 1 12 . 1 1 493 493 TYR CB C 493 40.481 40.481 40.417 0.064 18462 8435 1 12 . 1 1 493 493 TYR H H 493 8.981 8.981 8.529 0.452 18462 8436 1 12 . 1 1 494 494 TYR N N 494 120.511 120.511 118.418 2.093 18462 8437 1 12 . 1 1 494 494 TYR HA H 494 4.763 4.763 5.241 -0.478 18462 8438 1 12 . 1 1 494 494 TYR C C 494 173.811 173.811 175.367 -1.556 18462 8439 1 12 . 1 1 494 494 TYR CA C 494 56.764 56.764 56.629 0.135 18462 8440 1 12 . 1 1 494 494 TYR CB C 494 38.722 38.722 40.280 -1.558 18462 8441 1 12 . 1 1 494 494 TYR H H 494 9.235 9.235 9.125 0.110 18462 8442 1 12 . 1 1 495 495 ILE N N 495 124.930 124.930 122.311 2.619 18462 8443 1 12 . 1 1 495 495 ILE HA H 495 4.780 4.780 4.955 -0.175 18462 8444 1 12 . 1 1 495 495 ILE C C 495 174.764 174.764 175.352 -0.588 18462 8445 1 12 . 1 1 495 495 ILE CA C 495 57.714 57.714 59.035 -1.321 18462 8446 1 12 . 1 1 495 495 ILE CB C 495 36.729 36.729 41.027 -4.298 18462 8447 1 12 . 1 1 495 495 ILE H H 495 9.136 9.136 9.221 -0.085 18462 8448 1 12 . 1 1 496 496 CYS N N 496 127.535 127.535 127.392 0.143 18462 8449 1 12 . 1 1 496 496 CYS HA H 496 4.745 4.745 4.805 -0.060 18462 8450 1 12 . 1 1 496 496 CYS C C 496 176.128 176.128 176.973 -0.845 18462 8451 1 12 . 1 1 496 496 CYS CA C 496 60.574 60.574 58.810 1.764 18462 8452 1 12 . 1 1 496 496 CYS CB C 496 29.227 29.227 28.130 1.097 18462 8453 1 12 . 1 1 496 496 CYS H H 496 9.016 9.016 8.640 0.376 18462 8454 1 12 . 1 1 497 497 ILE N N 497 129.645 129.645 126.555 3.090 18462 8455 1 12 . 1 1 497 497 ILE HA H 497 4.176 4.176 4.204 -0.028 18462 8456 1 12 . 1 1 497 497 ILE C C 497 177.925 177.925 176.874 1.051 18462 8457 1 12 . 1 1 497 497 ILE CA C 497 63.447 63.447 64.588 -1.141 18462 8458 1 12 . 1 1 497 497 ILE CB C 497 39.543 39.543 37.802 1.741 18462 8459 1 12 . 1 1 497 497 ILE H H 497 8.295 8.295 8.393 -0.098 18462 8460 1 12 . 1 1 498 498 VAL N N 498 123.791 123.791 121.690 2.101 18462 8461 1 12 . 1 1 498 498 VAL HA H 498 3.939 3.939 3.759 0.180 18462 8462 1 12 . 1 1 498 498 VAL C C 498 176.127 176.127 177.443 -1.316 18462 8463 1 12 . 1 1 498 498 VAL CA C 498 64.619 64.619 65.486 -0.867 18462 8464 1 12 . 1 1 498 498 VAL CB C 498 32.275 32.275 31.294 0.981 18462 8465 1 12 . 1 1 498 498 VAL H H 498 8.993 8.993 8.305 0.688 18462 8466 1 12 . 1 1 499 499 CYS N N 499 117.267 117.267 111.709 5.558 18462 8467 1 12 . 1 1 499 499 CYS HA H 499 5.157 5.157 4.851 0.306 18462 8468 1 12 . 1 1 499 499 CYS C C 499 177.106 177.106 174.977 2.129 18462 8469 1 12 . 1 1 499 499 CYS CA C 499 57.820 57.820 57.427 0.393 18462 8470 1 12 . 1 1 499 499 CYS CB C 499 31.571 31.571 29.607 1.964 18462 8471 1 12 . 1 1 499 499 CYS H H 499 8.307 8.307 8.017 0.290 18462 8472 1 12 . 1 1 500 500 LYS N N 500 117.950 117.950 118.759 -0.809 18462 8473 1 12 . 1 1 500 500 LYS HA H 500 4.306 4.306 4.083 0.223 18462 8474 1 12 . 1 1 500 500 LYS C C 500 175.869 175.869 175.478 0.391 18462 8475 1 12 . 1 1 500 500 LYS CA C 500 57.585 57.585 57.167 0.418 18462 8476 1 12 . 1 1 500 500 LYS CB C 500 28.289 28.289 29.693 -1.404 18462 8477 1 12 . 1 1 500 500 LYS H H 500 8.169 8.169 8.242 -0.073 18462 8478 1 12 . 1 1 501 501 ARG N N 501 121.270 121.270 119.952 1.318 18462 8479 1 12 . 1 1 501 501 ARG HA H 501 4.090 4.090 4.128 -0.038 18462 8480 1 12 . 1 1 501 501 ARG C C 501 175.587 175.587 175.805 -0.218 18462 8481 1 12 . 1 1 501 501 ARG CA C 501 58.289 58.289 56.241 2.048 18462 8482 1 12 . 1 1 501 501 ARG CB C 501 29.694 29.694 30.914 -1.220 18462 8483 1 12 . 1 1 501 501 ARG H H 501 8.071 8.071 7.771 0.300 18462 8484 1 12 . 1 1 502 502 SER N N 502 112.997 112.997 118.130 -5.133 18462 8485 1 12 . 1 1 502 502 SER HA H 502 5.003 5.003 4.845 0.158 18462 8486 1 12 . 1 1 502 502 SER C C 502 174.417 174.417 173.261 1.156 18462 8487 1 12 . 1 1 502 502 SER CA C 502 55.475 55.475 57.186 -1.711 18462 8488 1 12 . 1 1 502 502 SER CB C 502 65.088 65.088 64.560 0.528 18462 8489 1 12 . 1 1 502 502 SER H H 502 7.553 7.553 8.242 -0.689 18462 8490 1 12 . 1 1 503 503 TYR N N 503 121.115 121.115 121.795 -0.680 18462 8491 1 12 . 1 1 503 503 TYR HA H 503 4.996 4.996 4.695 0.301 18462 8492 1 12 . 1 1 503 503 TYR C C 503 173.707 173.707 175.757 -2.050 18462 8493 1 12 . 1 1 503 503 TYR CA C 503 57.585 57.585 57.679 -0.094 18462 8494 1 12 . 1 1 503 503 TYR CB C 503 42.244 42.244 42.062 0.182 18462 8495 1 12 . 1 1 503 503 TYR H H 503 8.958 8.958 8.689 0.269 18462 8496 1 12 . 1 1 504 504 VAL N N 504 119.390 119.390 120.569 -1.179 18462 8497 1 12 . 1 1 504 504 VAL HA H 504 4.376 4.376 4.016 0.360 18462 8498 1 12 . 1 1 504 504 VAL C C 504 176.390 176.390 175.607 0.783 18462 8499 1 12 . 1 1 504 504 VAL CA C 504 62.275 62.275 64.298 -2.023 18462 8500 1 12 . 1 1 504 504 VAL CB C 504 33.025 33.025 32.482 0.543 18462 8501 1 12 . 1 1 504 504 VAL H H 504 9.988 9.988 8.651 1.337 18462 8502 1 12 . 1 1 505 505 CYS N N 505 113.800 113.800 116.255 -2.455 18462 8503 1 12 . 1 1 505 505 CYS HA H 505 4.998 4.998 4.780 0.218 18462 8504 1 12 . 1 1 505 505 CYS C C 505 176.603 176.603 175.010 1.593 18462 8505 1 12 . 1 1 505 505 CYS CA C 505 56.647 56.647 57.743 -1.096 18462 8506 1 12 . 1 1 505 505 CYS CB C 505 38.406 38.406 31.251 7.155 18462 8507 1 12 . 1 1 505 505 CYS H H 505 7.518 7.518 7.787 -0.269 18462 8508 1 12 . 1 1 506 506 LEU N N 506 129.535 129.535 124.407 5.128 18462 8509 1 12 . 1 1 506 506 LEU HA H 506 3.325 3.325 3.529 -0.204 18462 8510 1 12 . 1 1 506 506 LEU C C 506 174.727 174.727 177.698 -2.971 18462 8511 1 12 . 1 1 506 506 LEU CA C 506 56.647 56.647 58.108 -1.462 18462 8512 1 12 . 1 1 506 506 LEU CB C 506 39.308 39.308 41.135 -1.827 18462 8513 1 12 . 1 1 506 506 LEU H H 506 8.602 8.602 8.692 -0.090 18462 8514 1 12 . 1 1 507 507 THR N N 507 108.833 108.833 110.210 -1.377 18462 8515 1 12 . 1 1 507 507 THR HA H 507 3.820 3.820 3.885 -0.065 18462 8516 1 12 . 1 1 507 507 THR C C 507 178.905 178.905 176.611 2.294 18462 8517 1 12 . 1 1 507 507 THR CA C 507 64.150 64.150 66.042 -1.892 18462 8518 1 12 . 1 1 507 507 THR CB C 507 66.260 66.260 67.920 -1.660 18462 8519 1 12 . 1 1 507 507 THR H H 507 8.087 8.087 8.133 -0.046 18462 8520 1 12 . 1 1 508 508 SER N N 508 119.009 119.009 118.887 0.122 18462 8521 1 12 . 1 1 508 508 SER HA H 508 4.123 4.123 4.013 0.110 18462 8522 1 12 . 1 1 508 508 SER C C 508 178.467 178.467 175.843 2.624 18462 8523 1 12 . 1 1 508 508 SER CA C 508 59.461 59.461 61.328 -1.867 18462 8524 1 12 . 1 1 508 508 SER CB C 508 62.978 62.978 62.818 0.160 18462 8525 1 12 . 1 1 508 508 SER H H 508 7.230 7.230 7.451 -0.221 18462 8526 1 12 . 1 1 509 509 LEU N N 509 127.365 127.365 123.540 3.825 18462 8527 1 12 . 1 1 509 509 LEU HA H 509 3.216 3.216 3.430 -0.214 18462 8528 1 12 . 1 1 509 509 LEU C C 509 176.740 176.740 177.650 -0.910 18462 8529 1 12 . 1 1 509 509 LEU CA C 509 57.351 57.351 57.857 -0.506 18462 8530 1 12 . 1 1 509 509 LEU CB C 509 39.074 39.074 41.696 -2.622 18462 8531 1 12 . 1 1 509 509 LEU H H 509 7.114 7.114 7.133 -0.019 18462 8532 1 12 . 1 1 510 510 ARG N N 510 119.955 119.955 118.467 1.488 18462 8533 1 12 . 1 1 510 510 ARG HA H 510 3.843 3.843 3.915 -0.072 18462 8534 1 12 . 1 1 510 510 ARG C C 510 178.472 178.472 178.923 -0.451 18462 8535 1 12 . 1 1 510 510 ARG CA C 510 61.766 61.766 57.919 3.846 18462 8536 1 12 . 1 1 510 510 ARG CB C 510 28.992 28.992 28.911 0.081 18462 8537 1 12 . 1 1 510 510 ARG H H 510 8.100 8.100 8.442 -0.342 18462 8538 1 12 . 1 1 511 511 ARG N N 511 120.947 120.947 118.042 2.905 18462 8539 1 12 . 1 1 511 511 ARG HA H 511 4.078 4.078 3.889 0.189 18462 8540 1 12 . 1 1 511 511 ARG C C 511 178.262 178.262 177.297 0.965 18462 8541 1 12 . 1 1 511 511 ARG CA C 511 59.054 59.054 59.030 0.024 18462 8542 1 12 . 1 1 511 511 ARG CB C 511 29.695 29.695 30.112 -0.417 18462 8543 1 12 . 1 1 511 511 ARG H H 511 7.802 7.802 7.796 0.006 18462 8544 1 12 . 1 1 512 512 HIS N N 512 116.820 116.820 117.120 -0.300 18462 8545 1 12 . 1 1 512 512 HIS HA H 512 4.219 4.219 4.295 -0.076 18462 8546 1 12 . 1 1 512 512 HIS C C 512 178.069 178.069 177.310 0.759 18462 8547 1 12 . 1 1 512 512 HIS CA C 512 57.507 57.507 58.324 -0.817 18462 8548 1 12 . 1 1 512 512 HIS CB C 512 27.390 27.390 30.316 -2.926 18462 8549 1 12 . 1 1 512 512 HIS H H 512 7.809 7.809 7.716 0.093 18462 8550 1 12 . 1 1 513 513 PHE N N 513 118.415 118.415 121.069 -2.654 18462 8551 1 12 . 1 1 513 513 PHE HA H 513 3.620 3.620 3.790 -0.170 18462 8552 1 12 . 1 1 513 513 PHE C C 513 176.026 176.026 176.537 -0.511 18462 8553 1 12 . 1 1 513 513 PHE CA C 513 61.102 61.102 61.445 -0.343 18462 8554 1 12 . 1 1 513 513 PHE CB C 513 38.996 38.996 38.906 0.090 18462 8555 1 12 . 1 1 513 513 PHE H H 513 8.898 8.898 8.807 0.091 18462 8556 1 12 . 1 1 514 514 ASN N N 514 114.080 114.080 118.970 -4.890 18462 8557 1 12 . 1 1 514 514 ASN HA H 514 4.988 4.988 4.298 0.690 18462 8558 1 12 . 1 1 514 514 ASN C C 514 176.236 176.236 177.231 -0.995 18462 8559 1 12 . 1 1 514 514 ASN CA C 514 55.006 55.006 55.791 -0.785 18462 8560 1 12 . 1 1 514 514 ASN CB C 514 40.129 40.129 38.509 1.620 18462 8561 1 12 . 1 1 514 514 ASN H H 514 8.678 8.678 7.648 1.030 18462 8562 1 12 . 1 1 515 515 ILE N N 515 114.035 114.035 118.896 -4.861 18462 8563 1 12 . 1 1 515 515 ILE HA H 515 2.997 2.997 3.157 -0.160 18462 8564 1 12 . 1 1 515 515 ILE C C 515 176.292 176.292 176.724 -0.432 18462 8565 1 12 . 1 1 515 515 ILE CA C 515 63.447 63.447 63.756 -0.309 18462 8566 1 12 . 1 1 515 515 ILE CB C 515 37.198 37.198 37.459 -0.260 18462 8567 1 12 . 1 1 515 515 ILE H H 515 7.919 7.919 7.964 -0.045 18462 8568 1 12 . 1 1 516 516 HIS N N 516 113.136 113.136 117.324 -4.188 18462 8569 1 12 . 1 1 516 516 HIS HA H 516 4.767 4.767 4.550 0.217 18462 8570 1 12 . 1 1 516 516 HIS C C 516 175.870 175.870 177.275 -1.405 18462 8571 1 12 . 1 1 516 516 HIS CA C 516 54.542 54.542 58.178 -3.635 18462 8572 1 12 . 1 1 516 516 HIS CB C 516 27.585 27.585 30.052 -2.466 18462 8573 1 12 . 1 1 516 516 HIS H H 516 7.170 7.170 7.508 -0.338 18462 8574 1 12 . 1 1 517 517 SER N N 517 112.852 112.852 114.386 -1.534 18462 8575 1 12 . 1 1 517 517 SER HA H 517 4.359 4.359 4.343 0.016 18462 8576 1 12 . 1 1 517 517 SER C C 517 177.067 177.067 175.756 1.311 18462 8577 1 12 . 1 1 517 517 SER CA C 517 58.758 58.758 60.738 -1.980 18462 8578 1 12 . 1 1 517 517 SER CB C 517 63.447 63.447 63.996 -0.549 18462 8579 1 12 . 1 1 517 517 SER H H 517 7.886 7.886 7.765 0.121 18462 8580 1 12 . 1 1 518 518 TRP N N 518 122.824 122.824 118.574 4.250 18462 8581 1 12 . 1 1 518 518 TRP HA H 518 4.005 4.005 4.407 -0.402 18462 8582 1 12 . 1 1 518 518 TRP C C 518 175.133 175.133 175.755 -0.622 18462 8583 1 12 . 1 1 518 518 TRP CA C 518 57.820 57.820 58.563 -0.744 18462 8584 1 12 . 1 1 518 518 TRP CB C 518 25.710 25.710 26.852 -1.142 18462 8585 1 12 . 1 1 518 518 TRP H H 518 9.274 9.274 7.717 1.557 18462 8586 1 12 . 1 1 519 519 GLU N N 519 119.673 119.673 117.476 2.197 18462 8587 1 12 . 1 1 519 519 GLU HA H 519 4.042 4.042 4.188 -0.146 18462 8588 1 12 . 1 1 519 519 GLU C C 519 175.353 175.353 176.678 -1.325 18462 8589 1 12 . 1 1 519 519 GLU CA C 519 58.758 58.758 58.192 0.566 18462 8590 1 12 . 1 1 519 519 GLU CB C 519 29.695 29.695 30.568 -0.873 18462 8591 1 12 . 1 1 519 519 GLU H H 519 7.828 7.828 7.773 0.055 18462 8592 1 12 . 1 1 520 520 LYS N N 520 118.358 118.358 119.308 -0.950 18462 8593 1 12 . 1 1 520 520 LYS HA H 520 4.544 4.544 4.398 0.146 18462 8594 1 12 . 1 1 520 520 LYS C C 520 178.036 178.036 174.906 3.130 18462 8595 1 12 . 1 1 520 520 LYS CA C 520 53.845 53.845 54.940 -1.095 18462 8596 1 12 . 1 1 520 520 LYS CB C 520 34.385 34.385 33.650 0.735 18462 8597 1 12 . 1 1 520 520 LYS H H 520 9.085 9.085 8.142 0.943 18462 8598 1 12 . 1 1 521 521 LYS N N 521 118.859 118.859 123.730 -4.871 18462 8599 1 12 . 1 1 521 521 LYS HA H 521 4.658 4.658 4.386 0.272 18462 8600 1 12 . 1 1 521 521 LYS C C 521 175.168 175.168 176.057 -0.889 18462 8601 1 12 . 1 1 521 521 LYS CA C 521 54.537 54.537 55.830 -1.293 18462 8602 1 12 . 1 1 521 521 LYS CB C 521 35.323 35.323 33.932 1.391 18462 8603 1 12 . 1 1 521 521 LYS H H 521 8.238 8.238 8.367 -0.129 18462 8604 1 12 . 1 1 522 522 TYR N N 522 117.305 117.305 122.380 -5.075 18462 8605 1 12 . 1 1 522 522 TYR HA H 522 5.028 5.028 4.929 0.099 18462 8606 1 12 . 1 1 522 522 TYR C C 522 175.016 175.016 173.771 1.245 18462 8607 1 12 . 1 1 522 522 TYR CA C 522 54.537 54.537 55.228 -0.692 18462 8608 1 12 . 1 1 522 522 TYR CB C 522 37.198 37.198 38.460 -1.262 18462 8609 1 12 . 1 1 522 522 TYR H H 522 7.788 7.788 8.657 -0.869 18462 8610 1 12 . 1 1 523 523 PRO HA H 523 5.026 5.026 4.995 0.031 18462 8611 1 12 . 1 1 523 523 PRO CA C 523 61.806 61.806 62.374 -0.569 18462 8612 1 12 . 1 1 523 523 PRO CB C 523 31.839 31.839 32.372 -0.533 18462 8613 1 12 . 1 1 524 524 CYS N N 524 126.569 126.569 123.749 2.820 18462 8614 1 12 . 1 1 524 524 CYS HA H 524 4.739 4.739 4.676 0.063 18462 8615 1 12 . 1 1 524 524 CYS C C 524 176.841 176.841 176.327 0.514 18462 8616 1 12 . 1 1 524 524 CYS CA C 524 60.290 60.290 57.705 2.585 18462 8617 1 12 . 1 1 524 524 CYS CB C 524 29.344 29.344 29.763 -0.419 18462 8618 1 12 . 1 1 524 524 CYS H H 524 9.210 9.210 8.732 0.478 18462 8619 1 12 . 1 1 525 525 ARG N N 525 130.294 130.294 125.561 4.733 18462 8620 1 12 . 1 1 525 525 ARG HA H 525 4.285 4.285 4.155 0.130 18462 8621 1 12 . 1 1 525 525 ARG C C 525 176.390 176.390 177.106 -0.716 18462 8622 1 12 . 1 1 525 525 ARG CA C 525 58.043 58.043 58.066 -0.023 18462 8623 1 12 . 1 1 525 525 ARG CB C 525 27.576 27.576 30.109 -2.533 18462 8624 1 12 . 1 1 525 525 ARG H H 525 9.724 9.724 9.381 0.343 18462 8625 1 12 . 1 1 526 526 TYR N N 526 122.622 122.622 118.657 3.965 18462 8626 1 12 . 1 1 526 526 TYR HA H 526 4.517 4.517 4.394 0.123 18462 8627 1 12 . 1 1 526 526 TYR C C 526 176.659 176.659 175.825 0.834 18462 8628 1 12 . 1 1 526 526 TYR CA C 526 58.054 58.054 58.311 -0.257 18462 8629 1 12 . 1 1 526 526 TYR CB C 526 37.628 37.628 38.347 -0.719 18462 8630 1 12 . 1 1 526 526 TYR H H 526 10.439 10.439 8.005 2.434 18462 8631 1 12 . 1 1 527 527 CYS N N 527 122.873 122.873 116.444 6.429 18462 8632 1 12 . 1 1 527 527 CYS HA H 527 5.153 5.153 4.936 0.217 18462 8633 1 12 . 1 1 527 527 CYS C C 527 175.243 175.243 175.257 -0.014 18462 8634 1 12 . 1 1 527 527 CYS CA C 527 58.148 58.148 56.257 1.891 18462 8635 1 12 . 1 1 527 527 CYS CB C 527 30.164 30.164 31.644 -1.480 18462 8636 1 12 . 1 1 527 527 CYS H H 527 8.462 8.462 7.747 0.715 18462 8637 1 12 . 1 1 528 528 GLU N N 528 115.906 115.906 119.156 -3.250 18462 8638 1 12 . 1 1 528 528 GLU HA H 528 4.453 4.453 4.158 0.295 18462 8639 1 12 . 1 1 528 528 GLU C C 528 173.484 173.484 175.495 -2.011 18462 8640 1 12 . 1 1 528 528 GLU CA C 528 57.390 57.390 56.395 0.995 18462 8641 1 12 . 1 1 528 528 GLU CB C 528 29.608 29.608 27.955 1.653 18462 8642 1 12 . 1 1 528 528 GLU H H 528 8.704 8.704 8.681 0.023 18462 8643 1 12 . 1 1 529 529 LYS N N 529 125.068 125.068 121.266 3.802 18462 8644 1 12 . 1 1 529 529 LYS HA H 529 4.041 4.041 4.283 -0.242 18462 8645 1 12 . 1 1 529 529 LYS C C 529 176.881 176.881 174.794 2.087 18462 8646 1 12 . 1 1 529 529 LYS CA C 529 57.585 57.585 55.974 1.611 18462 8647 1 12 . 1 1 529 529 LYS CB C 529 33.212 33.212 33.855 -0.643 18462 8648 1 12 . 1 1 529 529 LYS H H 529 8.696 8.696 7.496 1.200 18462 8649 1 12 . 1 1 530 530 VAL N N 530 119.525 119.525 122.516 -2.991 18462 8650 1 12 . 1 1 530 530 VAL HA H 530 4.541 4.541 4.458 0.083 18462 8651 1 12 . 1 1 530 530 VAL C C 530 175.118 175.118 175.397 -0.279 18462 8652 1 12 . 1 1 530 530 VAL CA C 530 60.633 60.633 60.535 0.097 18462 8653 1 12 . 1 1 530 530 VAL CB C 530 34.150 34.150 34.229 -0.079 18462 8654 1 12 . 1 1 530 530 VAL H H 530 8.054 8.054 8.151 -0.097 18462 8655 1 12 . 1 1 531 531 PHE N N 531 122.568 122.568 126.251 -3.683 18462 8656 1 12 . 1 1 531 531 PHE C C 531 174.185 174.185 174.452 -0.267 18462 8657 1 12 . 1 1 531 531 PHE CA C 531 55.586 55.586 55.241 0.345 18462 8658 1 12 . 1 1 531 531 PHE CB C 531 41.184 41.184 40.468 0.716 18462 8659 1 12 . 1 1 531 531 PHE H H 531 8.167 8.167 8.858 -0.691 18462 8660 1 12 . 1 1 532 532 PRO HA H 532 4.359 4.359 4.068 0.291 18462 8661 1 12 . 1 1 532 532 PRO CA C 532 62.216 62.216 62.880 -0.664 18462 8662 1 12 . 1 1 532 532 PRO CB C 532 29.930 29.930 31.890 -1.960 18462 8663 1 12 . 1 1 533 533 LEU N N 533 122.335 122.335 117.808 4.527 18462 8664 1 12 . 1 1 533 533 LEU HA H 533 4.086 4.086 4.079 0.007 18462 8665 1 12 . 1 1 533 533 LEU C C 533 175.091 175.091 176.587 -1.496 18462 8666 1 12 . 1 1 533 533 LEU CA C 533 55.006 55.006 52.885 2.121 18462 8667 1 12 . 1 1 533 533 LEU CB C 533 43.529 43.529 44.526 -0.997 18462 8668 1 12 . 1 1 533 533 LEU H H 533 6.587 6.587 7.354 -0.767 18462 8669 1 12 . 1 1 534 534 ALA N N 534 126.722 126.722 125.553 1.169 18462 8670 1 12 . 1 1 534 534 ALA HA H 534 2.993 2.993 3.394 -0.401 18462 8671 1 12 . 1 1 534 534 ALA C C 534 175.439 175.439 179.180 -3.741 18462 8672 1 12 . 1 1 534 534 ALA CA C 534 54.537 54.537 55.075 -0.539 18462 8673 1 12 . 1 1 534 534 ALA CB C 534 18.452 18.452 17.511 0.941 18462 8674 1 12 . 1 1 534 534 ALA H H 534 7.698 7.698 7.918 -0.220 18462 8675 1 12 . 1 1 535 535 GLU N N 535 119.354 119.354 118.602 0.752 18462 8676 1 12 . 1 1 535 535 GLU HA H 535 4.675 4.675 4.022 0.653 18462 8677 1 12 . 1 1 535 535 GLU C C 535 180.126 180.126 178.815 1.311 18462 8678 1 12 . 1 1 535 535 GLU CA C 535 58.526 58.526 59.642 -1.116 18462 8679 1 12 . 1 1 535 535 GLU H H 535 9.535 9.535 8.686 0.849 18462 8680 1 12 . 1 1 536 536 TYR N N 536 114.592 114.592 117.592 -3.000 18462 8681 1 12 . 1 1 536 536 TYR HA H 536 4.368 4.368 4.118 0.250 18462 8682 1 12 . 1 1 536 536 TYR C C 536 178.004 178.004 177.735 0.269 18462 8683 1 12 . 1 1 536 536 TYR CA C 536 56.179 56.179 58.739 -2.561 18462 8684 1 12 . 1 1 536 536 TYR CB C 536 35.556 35.556 37.330 -1.774 18462 8685 1 12 . 1 1 536 536 TYR H H 536 6.552 6.552 7.986 -1.434 18462 8686 1 12 . 1 1 537 537 ARG N N 537 119.820 119.820 118.542 1.278 18462 8687 1 12 . 1 1 537 537 ARG HA H 537 3.209 3.209 3.624 -0.415 18462 8688 1 12 . 1 1 537 537 ARG C C 537 179.469 179.469 178.249 1.220 18462 8689 1 12 . 1 1 537 537 ARG CA C 537 59.131 59.131 59.734 -0.603 18462 8690 1 12 . 1 1 537 537 ARG CB C 537 27.179 27.179 29.563 -2.384 18462 8691 1 12 . 1 1 537 537 ARG H H 537 7.016 7.016 7.455 -0.439 18462 8692 1 12 . 1 1 538 538 THR N N 538 120.080 120.080 117.885 2.195 18462 8693 1 12 . 1 1 538 538 THR HA H 538 3.939 3.939 4.055 -0.116 18462 8694 1 12 . 1 1 538 538 THR C C 538 177.538 177.538 176.570 0.968 18462 8695 1 12 . 1 1 538 538 THR CA C 538 66.026 66.026 66.823 -0.797 18462 8696 1 12 . 1 1 538 538 THR CB C 538 66.964 66.964 68.777 -1.813 18462 8697 1 12 . 1 1 538 538 THR H H 538 8.410 8.410 8.330 0.080 18462 8698 1 12 . 1 1 539 539 LYS N N 539 117.252 117.252 119.301 -2.049 18462 8699 1 12 . 1 1 539 539 LYS HA H 539 4.054 4.054 4.126 -0.072 18462 8700 1 12 . 1 1 539 539 LYS C C 539 176.139 176.139 178.937 -2.798 18462 8701 1 12 . 1 1 539 539 LYS CA C 539 57.116 57.116 58.159 -1.043 18462 8702 1 12 . 1 1 539 539 LYS CB C 539 31.859 31.859 31.784 0.075 18462 8703 1 12 . 1 1 539 539 LYS H H 539 8.012 8.012 8.432 -0.420 18462 8704 1 12 . 1 1 540 540 HIS N N 540 118.983 118.983 119.758 -0.775 18462 8705 1 12 . 1 1 540 540 HIS HA H 540 4.548 4.548 4.302 0.246 18462 8706 1 12 . 1 1 540 540 HIS C C 540 179.568 179.568 177.377 2.191 18462 8707 1 12 . 1 1 540 540 HIS CA C 540 58.758 58.758 59.728 -0.970 18462 8708 1 12 . 1 1 540 540 HIS CB C 540 28.260 28.260 29.837 -1.577 18462 8709 1 12 . 1 1 540 540 HIS H H 540 7.536 7.536 7.954 -0.418 18462 8710 1 12 . 1 1 541 541 GLU N N 541 122.073 122.073 119.737 2.336 18462 8711 1 12 . 1 1 541 541 GLU HA H 541 4.215 4.215 4.433 -0.218 18462 8712 1 12 . 1 1 541 541 GLU C C 541 177.829 177.829 179.187 -1.358 18462 8713 1 12 . 1 1 541 541 GLU CA C 541 61.181 61.181 59.213 1.968 18462 8714 1 12 . 1 1 541 541 GLU CB C 541 29.712 29.712 29.787 -0.075 18462 8715 1 12 . 1 1 541 541 GLU H H 541 9.540 9.540 8.638 0.902 18462 8716 1 12 . 1 1 542 542 ILE N N 542 121.307 121.307 120.317 0.990 18462 8717 1 12 . 1 1 542 542 ILE HA H 542 4.335 4.335 3.863 0.472 18462 8718 1 12 . 1 1 542 542 ILE C C 542 179.666 179.666 177.224 2.442 18462 8719 1 12 . 1 1 542 542 ILE CA C 542 61.806 61.806 64.690 -2.884 18462 8720 1 12 . 1 1 542 542 ILE CB C 542 36.729 36.729 38.142 -1.413 18462 8721 1 12 . 1 1 542 542 ILE H H 542 8.275 8.275 8.307 -0.032 18462 8722 1 12 . 1 1 543 543 HIS N N 543 118.514 118.514 118.434 0.080 18462 8723 1 12 . 1 1 543 543 HIS HA H 543 4.257 4.257 4.370 -0.113 18462 8724 1 12 . 1 1 543 543 HIS C C 543 178.283 178.283 177.479 0.804 18462 8725 1 12 . 1 1 543 543 HIS CA C 543 58.758 58.758 58.857 -0.099 18462 8726 1 12 . 1 1 543 543 HIS CB C 543 26.882 26.882 29.739 -2.857 18462 8727 1 12 . 1 1 543 543 HIS H H 543 7.744 7.744 7.640 0.104 18462 8728 1 12 . 1 1 544 544 HIS N N 544 115.805 115.805 117.520 -1.715 18462 8729 1 12 . 1 1 544 544 HIS HA H 544 4.317 4.317 4.349 -0.032 18462 8730 1 12 . 1 1 544 544 HIS C C 544 178.058 178.058 176.864 1.194 18462 8731 1 12 . 1 1 544 544 HIS CA C 544 58.054 58.054 58.774 -0.720 18462 8732 1 12 . 1 1 544 544 HIS CB C 544 36.882 36.882 30.158 6.724 18462 8733 1 12 . 1 1 544 544 HIS H H 544 7.537 7.537 7.888 -0.351 18462 8734 1 12 . 1 1 545 545 THR N N 545 109.469 109.469 108.979 0.490 18462 8735 1 12 . 1 1 545 545 THR HA H 545 4.184 4.184 4.194 -0.010 18462 8736 1 12 . 1 1 545 545 THR C C 545 177.277 177.277 175.843 1.434 18462 8737 1 12 . 1 1 545 545 THR CA C 545 62.509 62.509 62.487 0.022 18462 8738 1 12 . 1 1 545 545 THR CB C 545 68.839 68.839 69.253 -0.414 18462 8739 1 12 . 1 1 545 545 THR H H 545 7.991 7.991 7.903 0.088 18462 8740 1 12 . 1 1 546 546 GLY N N 546 113.407 113.407 110.287 3.120 18462 8741 1 12 . 1 1 546 546 GLY C C 546 177.501 177.501 173.900 3.601 18462 8742 1 12 . 1 1 546 546 GLY CA C 546 44.935 44.935 45.500 -0.565 18462 8743 1 12 . 1 1 546 546 GLY H H 546 8.530 8.530 7.700 0.830 18462 8744 1 12 . 1 1 547 547 GLU N N 547 123.901 123.901 120.348 3.553 18462 8745 1 12 . 1 1 547 547 GLU HA H 547 3.913 3.913 4.051 -0.138 18462 8746 1 12 . 1 1 547 547 GLU C C 547 173.687 173.687 176.460 -2.773 18462 8747 1 12 . 1 1 547 547 GLU CA C 547 56.413 56.413 56.650 -0.237 18462 8748 1 12 . 1 1 547 547 GLU CB C 547 29.123 29.123 30.027 -0.904 18462 8749 1 12 . 1 1 547 547 GLU H H 547 7.301 7.301 7.489 -0.188 18462 8750 1 12 . 1 1 548 548 ARG N N 548 128.505 128.505 126.271 2.234 18462 8751 1 12 . 1 1 548 548 ARG HA H 548 4.444 4.444 4.243 0.201 18462 8752 1 12 . 1 1 548 548 ARG C C 548 175.180 175.180 176.293 -1.113 18462 8753 1 12 . 1 1 548 548 ARG CA C 548 55.059 55.059 56.260 -1.201 18462 8754 1 12 . 1 1 548 548 ARG CB C 548 29.227 29.227 30.097 -0.870 18462 8755 1 12 . 1 1 548 548 ARG H H 548 8.752 8.752 8.497 0.255 18462 8756 1 12 . 1 1 549 549 ARG N N 549 121.815 121.815 118.981 2.834 18462 8757 1 12 . 1 1 549 549 ARG HA H 549 4.205 4.205 4.717 -0.512 18462 8758 1 12 . 1 1 549 549 ARG C C 549 175.850 175.850 176.261 -0.411 18462 8759 1 12 . 1 1 549 549 ARG CA C 549 57.350 57.350 55.808 1.542 18462 8760 1 12 . 1 1 549 549 ARG CB C 549 32.980 32.980 32.816 0.164 18462 8761 1 12 . 1 1 549 549 ARG H H 549 9.440 9.440 8.793 0.647 18462 8762 1 12 . 1 1 550 550 TYR N N 550 116.087 116.087 120.391 -4.304 18462 8763 1 12 . 1 1 550 550 TYR C C 550 176.129 176.129 175.011 1.118 18462 8764 1 12 . 1 1 550 550 TYR CA C 550 58.169 58.169 58.063 0.106 18462 8765 1 12 . 1 1 550 550 TYR CB C 550 38.994 38.994 37.239 1.754 18462 8766 1 12 . 1 1 550 550 TYR H H 550 8.287 8.287 8.250 0.037 18462 8767 1 12 . 1 1 551 551 GLN N N 551 125.096 125.096 125.038 0.058 18462 8768 1 12 . 1 1 551 551 GLN HA H 551 5.275 5.275 5.084 0.191 18462 8769 1 12 . 1 1 551 551 GLN C C 551 175.080 175.080 174.906 0.174 18462 8770 1 12 . 1 1 551 551 GLN CA C 551 53.610 53.610 54.470 -0.860 18462 8771 1 12 . 1 1 551 551 GLN CB C 551 31.152 31.152 32.263 -1.111 18462 8772 1 12 . 1 1 551 551 GLN H H 551 9.656 9.656 9.233 0.423 18462 8773 1 12 . 1 1 552 552 CYS N N 552 128.697 128.697 124.951 3.746 18462 8774 1 12 . 1 1 552 552 CYS HA H 552 4.584 4.584 4.692 -0.108 18462 8775 1 12 . 1 1 552 552 CYS C C 552 175.231 175.231 175.194 0.037 18462 8776 1 12 . 1 1 552 552 CYS CA C 552 59.461 59.461 60.068 -0.607 18462 8777 1 12 . 1 1 552 552 CYS CB C 552 29.695 29.695 28.609 1.086 18462 8778 1 12 . 1 1 552 552 CYS H H 552 9.427 9.427 9.150 0.277 18462 8779 1 12 . 1 1 553 553 LEU N N 553 130.168 130.168 124.755 5.413 18462 8780 1 12 . 1 1 553 553 LEU HA H 553 4.396 4.396 4.556 -0.160 18462 8781 1 12 . 1 1 553 553 LEU C C 553 177.402 177.402 177.955 -0.553 18462 8782 1 12 . 1 1 553 553 LEU CA C 553 55.710 55.710 55.901 -0.191 18462 8783 1 12 . 1 1 553 553 LEU CB C 553 40.246 40.246 42.279 -2.033 18462 8784 1 12 . 1 1 553 553 LEU H H 553 8.632 8.632 8.748 -0.116 18462 8785 1 12 . 1 1 554 554 ALA N N 554 125.048 125.048 123.413 1.635 18462 8786 1 12 . 1 1 554 554 ALA HA H 554 4.295 4.295 4.124 0.171 18462 8787 1 12 . 1 1 554 554 ALA C C 554 177.657 177.657 178.136 -0.479 18462 8788 1 12 . 1 1 554 554 ALA CA C 554 53.610 53.610 54.326 -0.716 18462 8789 1 12 . 1 1 554 554 ALA CB C 554 16.577 16.577 18.802 -2.225 18462 8790 1 12 . 1 1 554 554 ALA H H 554 8.847 8.847 8.241 0.606 18462 8791 1 12 . 1 1 555 555 CYS N N 555 113.388 113.388 112.313 1.075 18462 8792 1 12 . 1 1 555 555 CYS HA H 555 5.299 5.299 4.976 0.323 18462 8793 1 12 . 1 1 555 555 CYS C C 555 178.854 178.854 175.872 2.982 18462 8794 1 12 . 1 1 555 555 CYS CA C 555 57.820 57.820 57.234 0.586 18462 8795 1 12 . 1 1 555 555 CYS CB C 555 31.665 31.665 29.663 2.002 18462 8796 1 12 . 1 1 555 555 CYS H H 555 8.146 8.146 7.826 0.320 18462 8797 1 12 . 1 1 556 556 GLY N N 556 114.264 114.264 109.800 4.464 18462 8798 1 12 . 1 1 556 556 GLY C C 556 176.084 176.084 174.631 1.453 18462 8799 1 12 . 1 1 556 556 GLY CA C 556 45.639 45.639 45.343 0.296 18462 8800 1 12 . 1 1 556 556 GLY H H 556 8.104 8.104 8.482 -0.378 18462 8801 1 12 . 1 1 557 557 LYS N N 557 123.318 123.318 121.427 1.891 18462 8802 1 12 . 1 1 557 557 LYS HA H 557 4.110 4.110 4.061 0.049 18462 8803 1 12 . 1 1 557 557 LYS C C 557 174.300 174.300 175.673 -1.373 18462 8804 1 12 . 1 1 557 557 LYS CA C 557 57.585 57.585 56.732 0.853 18462 8805 1 12 . 1 1 557 557 LYS CB C 557 33.447 33.447 32.900 0.547 18462 8806 1 12 . 1 1 557 557 LYS H H 557 8.043 8.043 7.573 0.470 18462 8807 1 12 . 1 1 558 558 SER N N 558 115.947 115.947 117.777 -1.830 18462 8808 1 12 . 1 1 558 558 SER HA H 558 5.661 5.661 4.621 1.040 18462 8809 1 12 . 1 1 558 558 SER C C 558 174.321 174.321 173.353 0.968 18462 8810 1 12 . 1 1 558 558 SER CA C 558 56.179 56.179 57.443 -1.264 18462 8811 1 12 . 1 1 558 558 SER CB C 558 65.088 65.088 64.492 0.596 18462 8812 1 12 . 1 1 558 558 SER H H 558 7.864 7.864 8.221 -0.357 18462 8813 1 12 . 1 1 559 559 PHE N N 559 117.815 117.815 122.677 -4.862 18462 8814 1 12 . 1 1 559 559 PHE HA H 559 4.781 4.781 4.793 -0.012 18462 8815 1 12 . 1 1 559 559 PHE C C 559 173.632 173.632 175.981 -2.349 18462 8816 1 12 . 1 1 559 559 PHE CA C 559 56.687 56.687 56.835 -0.148 18462 8817 1 12 . 1 1 559 559 PHE CB C 559 44.232 44.232 41.763 2.469 18462 8818 1 12 . 1 1 559 559 PHE H H 559 9.488 9.488 9.085 0.403 18462 8819 1 12 . 1 1 560 560 ILE N N 560 118.092 118.092 119.680 -1.588 18462 8820 1 12 . 1 1 560 560 ILE HA H 560 4.470 4.470 4.049 0.421 18462 8821 1 12 . 1 1 560 560 ILE C C 560 175.986 175.986 174.632 1.354 18462 8822 1 12 . 1 1 560 560 ILE CA C 560 62.040 62.040 62.973 -0.933 18462 8823 1 12 . 1 1 560 560 ILE CB C 560 39.308 39.308 38.412 0.896 18462 8824 1 12 . 1 1 560 560 ILE H H 560 9.306 9.306 8.575 0.731 18462 8825 1 12 . 1 1 561 561 ASN N N 561 114.751 114.751 112.447 2.304 18462 8826 1 12 . 1 1 561 561 ASN HA H 561 4.683 4.683 4.922 -0.239 18462 8827 1 12 . 1 1 561 561 ASN C C 561 175.350 175.350 174.238 1.112 18462 8828 1 12 . 1 1 561 561 ASN CA C 561 50.797 50.797 51.683 -0.886 18462 8829 1 12 . 1 1 561 561 ASN CB C 561 39.777 39.777 39.813 -0.036 18462 8830 1 12 . 1 1 561 561 ASN H H 561 7.387 7.387 7.569 -0.182 18462 8831 1 12 . 1 1 562 562 TYR N N 562 118.833 118.833 120.774 -1.941 18462 8832 1 12 . 1 1 562 562 TYR C C 562 172.730 172.730 176.705 -3.975 18462 8833 1 12 . 1 1 562 562 TYR CA C 562 59.907 59.907 61.861 -1.954 18462 8834 1 12 . 1 1 562 562 TYR CB C 562 38.480 38.480 38.164 0.316 18462 8835 1 12 . 1 1 562 562 TYR H H 562 8.243 8.243 8.370 -0.127 18462 8836 1 12 . 1 1 563 563 GLN N N 563 119.525 119.525 117.723 1.802 18462 8837 1 12 . 1 1 563 563 GLN HA H 563 3.720 3.720 3.896 -0.176 18462 8838 1 12 . 1 1 563 563 GLN C C 563 176.326 176.326 178.183 -1.857 18462 8839 1 12 . 1 1 563 563 GLN CA C 563 61.102 61.102 59.739 1.363 18462 8840 1 12 . 1 1 563 563 GLN CB C 563 25.450 25.450 27.611 -2.161 18462 8841 1 12 . 1 1 563 563 GLN H H 563 8.524 8.524 8.429 0.095 18462 8842 1 12 . 1 1 564 564 PHE N N 564 118.625 118.625 119.957 -1.332 18462 8843 1 12 . 1 1 564 564 PHE HA H 564 4.427 4.427 4.123 0.304 18462 8844 1 12 . 1 1 564 564 PHE C C 564 179.429 179.429 177.454 1.975 18462 8845 1 12 . 1 1 564 564 PHE CA C 564 59.461 59.461 60.564 -1.103 18462 8846 1 12 . 1 1 564 564 PHE CB C 564 38.488 38.488 38.678 -0.190 18462 8847 1 12 . 1 1 564 564 PHE H H 564 8.904 8.904 8.826 0.078 18462 8848 1 12 . 1 1 565 565 MET N N 565 120.996 120.996 120.133 0.863 18462 8849 1 12 . 1 1 565 565 MET HA H 565 3.720 3.720 3.197 0.523 18462 8850 1 12 . 1 1 565 565 MET C C 565 178.642 178.642 177.590 1.052 18462 8851 1 12 . 1 1 565 565 MET CA C 565 58.037 58.037 58.361 -0.324 18462 8852 1 12 . 1 1 565 565 MET H H 565 7.153 7.153 7.682 -0.529 18462 8853 1 12 . 1 1 566 566 SER N N 566 115.706 115.706 115.096 0.610 18462 8854 1 12 . 1 1 566 566 SER HA H 566 3.720 3.720 3.859 -0.139 18462 8855 1 12 . 1 1 566 566 SER C C 566 176.710 176.710 176.447 0.263 18462 8856 1 12 . 1 1 566 566 SER CA C 566 60.633 60.633 61.342 -0.709 18462 8857 1 12 . 1 1 566 566 SER CB C 566 62.040 62.040 62.607 -0.567 18462 8858 1 12 . 1 1 566 566 SER H H 566 8.918 8.918 8.285 0.633 18462 8859 1 12 . 1 1 567 567 SER N N 567 114.335 114.335 117.292 -2.957 18462 8860 1 12 . 1 1 567 567 SER HA H 567 4.212 4.212 4.037 0.175 18462 8861 1 12 . 1 1 567 567 SER C C 567 176.849 176.849 176.701 0.148 18462 8862 1 12 . 1 1 567 567 SER CA C 567 60.868 60.868 61.383 -0.515 18462 8863 1 12 . 1 1 567 567 SER CB C 567 61.806 61.806 63.087 -1.281 18462 8864 1 12 . 1 1 567 567 SER H H 567 7.933 7.933 7.631 0.302 18462 8865 1 12 . 1 1 568 568 HIS N N 568 120.659 120.659 122.562 -1.903 18462 8866 1 12 . 1 1 568 568 HIS HA H 568 4.327 4.327 4.302 0.025 18462 8867 1 12 . 1 1 568 568 HIS C C 568 177.652 177.652 177.503 0.149 18462 8868 1 12 . 1 1 568 568 HIS CA C 568 58.992 58.992 59.348 -0.356 18462 8869 1 12 . 1 1 568 568 HIS CB C 568 27.234 27.234 29.351 -2.117 18462 8870 1 12 . 1 1 568 568 HIS H H 568 7.594 7.594 8.135 -0.541 18462 8871 1 12 . 1 1 569 569 ILE N N 569 120.858 120.858 120.365 0.493 18462 8872 1 12 . 1 1 569 569 ILE HA H 569 3.562 3.562 3.526 0.036 18462 8873 1 12 . 1 1 569 569 ILE C C 569 175.925 175.925 177.995 -2.070 18462 8874 1 12 . 1 1 569 569 ILE CA C 569 66.729 66.729 65.619 1.110 18462 8875 1 12 . 1 1 569 569 ILE CB C 569 37.198 37.198 37.948 -0.750 18462 8876 1 12 . 1 1 569 569 ILE H H 569 8.640 8.640 8.345 0.295 18462 8877 1 12 . 1 1 570 570 LYS N N 570 118.876 118.876 118.754 0.122 18462 8878 1 12 . 1 1 570 570 LYS HA H 570 4.329 4.329 4.017 0.312 18462 8879 1 12 . 1 1 570 570 LYS C C 570 178.927 178.927 179.576 -0.649 18462 8880 1 12 . 1 1 570 570 LYS CA C 570 59.461 59.461 59.494 -0.033 18462 8881 1 12 . 1 1 570 570 LYS CB C 570 32.743 32.743 32.575 0.168 18462 8882 1 12 . 1 1 570 570 LYS H H 570 8.463 8.463 8.196 0.267 18462 8883 1 12 . 1 1 571 571 SER N N 571 112.612 112.612 114.052 -1.440 18462 8884 1 12 . 1 1 571 571 SER HA H 571 4.323 4.323 4.303 0.020 18462 8885 1 12 . 1 1 571 571 SER C C 571 179.258 179.258 175.672 3.586 18462 8886 1 12 . 1 1 571 571 SER CA C 571 59.930 59.930 61.353 -1.423 18462 8887 1 12 . 1 1 571 571 SER CB C 571 62.978 62.978 63.309 -0.331 18462 8888 1 12 . 1 1 571 571 SER H H 571 7.997 7.997 8.003 -0.006 18462 8889 1 12 . 1 1 572 572 VAL N N 572 120.208 120.208 121.305 -1.097 18462 8890 1 12 . 1 1 572 572 VAL HA H 572 3.789 3.789 3.773 0.016 18462 8891 1 12 . 1 1 572 572 VAL C C 572 176.245 176.245 177.067 -0.822 18462 8892 1 12 . 1 1 572 572 VAL CA C 572 63.916 63.916 64.805 -0.889 18462 8893 1 12 . 1 1 572 572 VAL CB C 572 31.337 31.337 32.234 -0.897 18462 8894 1 12 . 1 1 572 572 VAL H H 572 8.615 8.615 8.199 0.416 18462 8895 1 12 . 1 1 573 573 HIS N N 573 113.735 113.735 115.775 -2.040 18462 8896 1 12 . 1 1 573 573 HIS HA H 573 5.102 5.102 4.709 0.393 18462 8897 1 12 . 1 1 573 573 HIS C C 573 177.042 177.042 175.272 1.770 18462 8898 1 12 . 1 1 573 573 HIS CA C 573 53.376 53.376 56.040 -2.664 18462 8899 1 12 . 1 1 573 573 HIS CB C 573 28.210 28.210 30.810 -2.600 18462 8900 1 12 . 1 1 573 573 HIS H H 573 7.067 7.067 7.426 -0.359 18462 8901 1 12 . 1 1 574 574 SER N N 574 112.537 112.537 112.219 0.318 18462 8902 1 12 . 1 1 574 574 SER HA H 574 4.421 4.421 4.165 0.256 18462 8903 1 12 . 1 1 574 574 SER C C 574 174.525 174.525 173.811 0.714 18462 8904 1 12 . 1 1 574 574 SER CA C 574 58.054 58.054 59.442 -1.388 18462 8905 1 12 . 1 1 574 574 SER CB C 574 61.102 61.102 61.740 -0.638 18462 8906 1 12 . 1 1 574 574 SER H H 574 7.325 7.325 8.100 -0.775 18462 8907 1 12 . 1 1 575 575 GLN N N 575 117.032 117.032 119.113 -2.081 18462 8908 1 12 . 1 1 575 575 GLN HA H 575 4.659 4.659 4.351 0.308 18462 8909 1 12 . 1 1 575 575 GLN C C 575 173.993 173.993 174.851 -0.858 18462 8910 1 12 . 1 1 575 575 GLN CA C 575 53.376 53.376 55.609 -2.233 18462 8911 1 12 . 1 1 575 575 GLN CB C 575 32.743 32.743 30.239 2.504 18462 8912 1 12 . 1 1 575 575 GLN H H 575 7.480 7.480 7.318 0.162 18462 8913 1 12 . 1 1 576 576 ASP N N 576 118.953 118.953 120.535 -1.582 18462 8914 1 12 . 1 1 576 576 ASP HA H 576 4.992 4.992 4.890 0.102 18462 8915 1 12 . 1 1 576 576 ASP C C 576 173.387 173.387 176.189 -2.802 18462 8916 1 12 . 1 1 576 576 ASP CA C 576 50.094 50.094 50.376 -0.282 18462 8917 1 12 . 1 1 576 576 ASP CB C 576 41.301 41.301 41.843 -0.542 18462 8918 1 12 . 1 1 576 576 ASP H H 576 8.173 8.173 8.631 -0.458 18462 8919 1 12 . 1 1 577 577 PRO HA H 577 4.629 4.629 4.631 -0.002 18462 8920 1 12 . 1 1 577 577 PRO CA C 577 63.212 63.212 63.067 0.145 18462 8921 1 12 . 1 1 577 577 PRO CB C 577 31.806 31.806 32.098 -0.292 18462 8922 1 12 . 1 1 578 578 SER N N 578 114.986 114.986 115.252 -0.266 18462 8923 1 12 . 1 1 578 578 SER HA H 578 4.820 4.820 4.347 0.473 18462 8924 1 12 . 1 1 578 578 SER C C 578 176.301 176.301 175.793 0.508 18462 8925 1 12 . 1 1 578 578 SER CA C 578 58.054 58.054 60.062 -2.008 18462 8926 1 12 . 1 1 578 578 SER CB C 578 63.447 63.447 63.525 -0.078 18462 8927 1 12 . 1 1 578 578 SER H H 578 8.387 8.387 8.496 -0.109 18462 8928 1 12 . 1 1 579 579 GLY N N 579 111.279 111.279 109.083 2.196 18462 8929 1 12 . 1 1 579 579 GLY C C 579 175.262 175.262 173.554 1.708 18462 8930 1 12 . 1 1 579 579 GLY CA C 579 44.935 44.935 44.586 0.349 18462 8931 1 12 . 1 1 579 579 GLY H H 579 8.554 8.554 7.887 0.667 18462 8932 1 12 . 1 1 580 580 ASP N N 580 121.402 121.402 118.309 3.093 18462 8933 1 12 . 1 1 580 580 ASP HA H 580 4.700 4.700 4.784 -0.084 18462 8934 1 12 . 1 1 580 580 ASP C C 580 174.329 174.329 177.063 -2.734 18462 8935 1 12 . 1 1 580 580 ASP CA C 580 53.845 53.845 53.805 0.040 18462 8936 1 12 . 1 1 580 580 ASP CB C 580 40.012 40.012 40.823 -0.811 18462 8937 1 12 . 1 1 580 580 ASP H H 580 8.386 8.386 8.496 -0.110 18462 8938 1 12 . 1 1 581 581 SER N N 581 115.668 115.668 116.385 -0.717 18462 8939 1 12 . 1 1 581 581 SER HA H 581 4.421 4.421 4.239 0.182 18462 8940 1 12 . 1 1 581 581 SER C C 581 176.108 176.108 174.225 1.883 18462 8941 1 12 . 1 1 581 581 SER CA C 581 58.054 58.054 59.715 -1.661 18462 8942 1 12 . 1 1 581 581 SER CB C 581 63.212 63.212 63.399 -0.187 18462 8943 1 12 . 1 1 581 581 SER H H 581 8.015 8.015 8.414 -0.399 18462 8944 1 12 . 1 1 582 582 LYS N N 582 120.544 120.544 117.935 2.609 18462 8945 1 12 . 1 1 582 582 LYS HA H 582 4.329 4.329 3.750 0.579 18462 8946 1 12 . 1 1 582 582 LYS C C 582 174.302 174.302 175.896 -1.594 18462 8947 1 12 . 1 1 582 582 LYS CA C 582 55.944 55.944 56.581 -0.637 18462 8948 1 12 . 1 1 582 582 LYS CB C 582 30.868 30.868 30.319 0.549 18462 8949 1 12 . 1 1 582 582 LYS H H 582 8.453 8.453 8.460 -0.007 18462 8950 1 12 . 1 1 583 583 LEU N N 583 119.514 119.514 117.970 1.544 18462 8951 1 12 . 1 1 583 583 LEU HA H 583 4.458 4.458 4.253 0.205 18462 8952 1 12 . 1 1 583 583 LEU C C 583 176.924 176.924 176.037 0.887 18462 8953 1 12 . 1 1 583 583 LEU CA C 583 54.303 54.303 55.089 -0.786 18462 8954 1 12 . 1 1 583 583 LEU CB C 583 43.060 43.060 41.495 1.565 18462 8955 1 12 . 1 1 583 583 LEU H H 583 8.391 8.391 8.365 0.026 18462 8956 1 12 . 1 1 584 584 TYR N N 584 115.291 115.291 113.298 1.993 18462 8957 1 12 . 1 1 584 584 TYR HA H 584 5.714 5.714 5.493 0.221 18462 8958 1 12 . 1 1 584 584 TYR C C 584 175.675 175.675 174.176 1.499 18462 8959 1 12 . 1 1 584 584 TYR CA C 584 54.303 54.303 54.866 -0.563 18462 8960 1 12 . 1 1 584 584 TYR CB C 584 42.420 42.420 41.355 1.065 18462 8961 1 12 . 1 1 584 584 TYR H H 584 7.625 7.625 7.187 0.438 18462 8962 1 12 . 1 1 585 585 ARG N N 585 120.321 120.321 121.691 -1.370 18462 8963 1 12 . 1 1 585 585 ARG HA H 585 4.407 4.407 4.647 -0.240 18462 8964 1 12 . 1 1 585 585 ARG C C 585 172.342 172.342 174.277 -1.935 18462 8965 1 12 . 1 1 585 585 ARG CA C 585 53.376 53.376 54.312 -0.936 18462 8966 1 12 . 1 1 585 585 ARG CB C 585 33.916 33.916 33.792 0.124 18462 8967 1 12 . 1 1 585 585 ARG H H 585 9.141 9.141 9.081 0.060 18462 8968 1 12 . 1 1 586 586 LEU N N 586 129.013 129.013 129.278 -0.265 18462 8969 1 12 . 1 1 586 586 LEU HA H 586 4.768 4.768 4.828 -0.060 18462 8970 1 12 . 1 1 586 586 LEU C C 586 173.449 173.449 175.621 -2.172 18462 8971 1 12 . 1 1 586 586 LEU CA C 586 52.438 52.438 53.715 -1.276 18462 8972 1 12 . 1 1 586 586 LEU CB C 586 41.653 41.653 42.606 -0.953 18462 8973 1 12 . 1 1 586 586 LEU H H 586 8.581 8.581 8.787 -0.206 18462 8974 1 12 . 1 1 587 587 HIS N N 587 127.447 127.447 125.715 1.732 18462 8975 1 12 . 1 1 587 587 HIS HA H 587 4.650 4.650 4.824 -0.174 18462 8976 1 12 . 1 1 587 587 HIS C C 587 175.512 175.512 173.473 2.039 18462 8977 1 12 . 1 1 587 587 HIS CA C 587 55.544 55.544 55.298 0.245 18462 8978 1 12 . 1 1 587 587 HIS CB C 587 29.930 29.930 30.773 -0.843 18462 8979 1 12 . 1 1 587 587 HIS H H 587 9.132 9.132 8.863 0.269 18462 8980 1 12 . 1 1 588 588 PRO HA H 588 4.441 4.441 4.361 0.080 18462 8981 1 12 . 1 1 588 588 PRO CA C 588 62.509 62.509 63.616 -1.107 18462 8982 1 12 . 1 1 588 588 PRO CB C 588 31.688 31.688 32.303 -0.615 18462 8983 1 12 . 1 1 589 589 CYS N N 589 124.057 124.057 122.990 1.067 18462 8984 1 12 . 1 1 589 589 CYS HA H 589 4.275 4.275 4.423 -0.148 18462 8985 1 12 . 1 1 589 589 CYS C C 589 174.401 174.401 174.917 -0.516 18462 8986 1 12 . 1 1 589 589 CYS CA C 589 58.289 58.289 58.077 0.212 18462 8987 1 12 . 1 1 589 589 CYS CB C 589 26.413 26.413 28.610 -2.197 18462 8988 1 12 . 1 1 589 589 CYS H H 589 9.475 9.475 8.660 0.815 18462 8989 1 12 . 1 1 590 590 ARG N N 590 130.942 130.942 127.434 3.508 18462 8990 1 12 . 1 1 590 590 ARG HA H 590 4.689 4.689 4.626 0.063 18462 8991 1 12 . 1 1 590 590 ARG C C 590 175.091 175.091 176.666 -1.575 18462 8992 1 12 . 1 1 590 590 ARG CA C 590 55.241 55.241 56.043 -0.802 18462 8993 1 12 . 1 1 590 590 ARG CB C 590 30.633 30.633 30.826 -0.193 18462 8994 1 12 . 1 1 590 590 ARG H H 590 7.227 7.227 9.371 -2.144 18462 8995 1 12 . 1 1 591 591 SER N N 591 117.243 117.243 116.693 0.550 18462 8996 1 12 . 1 1 591 591 SER HA H 591 4.342 4.342 4.338 0.004 18462 8997 1 12 . 1 1 591 591 SER C C 591 178.367 178.367 174.201 4.166 18462 8998 1 12 . 1 1 591 591 SER CA C 591 59.695 59.695 61.476 -1.781 18462 8999 1 12 . 1 1 591 591 SER CB C 591 61.923 61.923 63.577 -1.653 18462 9000 1 12 . 1 1 591 591 SER H H 591 9.571 9.571 8.836 0.735 18462 9001 1 12 . 1 1 592 592 LEU N N 592 121.308 121.308 116.219 5.089 18462 9002 1 12 . 1 1 592 592 LEU HA H 592 4.778 4.778 4.740 0.037 18462 9003 1 12 . 1 1 592 592 LEU C C 592 173.260 173.260 175.437 -2.177 18462 9004 1 12 . 1 1 592 592 LEU CA C 592 52.846 52.846 53.522 -0.676 18462 9005 1 12 . 1 1 592 592 LEU CB C 592 45.404 45.404 43.550 1.854 18462 9006 1 12 . 1 1 592 592 LEU H H 592 7.369 7.369 7.307 0.062 18462 9007 1 12 . 1 1 593 593 GLN N N 593 122.109 122.109 120.187 1.922 18462 9008 1 12 . 1 1 593 593 GLN HA H 593 4.564 4.564 4.512 0.052 18462 9009 1 12 . 1 1 593 593 GLN C C 593 175.827 175.827 175.392 0.435 18462 9010 1 12 . 1 1 593 593 GLN CA C 593 54.303 54.303 55.751 -1.448 18462 9011 1 12 . 1 1 593 593 GLN CB C 593 26.882 26.882 28.478 -1.596 18462 9012 1 12 . 1 1 593 593 GLN H H 593 8.599 8.599 8.473 0.126 18462 9013 1 12 . 1 1 594 594 ILE N N 594 118.085 118.085 120.479 -2.394 18462 9014 1 12 . 1 1 594 594 ILE HA H 594 4.755 4.755 4.623 0.132 18462 9015 1 12 . 1 1 594 594 ILE C C 594 175.093 175.093 174.619 0.474 18462 9016 1 12 . 1 1 594 594 ILE CA C 594 58.831 58.831 59.192 -0.361 18462 9017 1 12 . 1 1 594 594 ILE CB C 594 42.591 42.591 40.929 1.661 18462 9018 1 12 . 1 1 594 594 ILE H H 594 7.635 7.635 8.063 -0.428 18462 9019 1 12 . 1 1 595 595 ARG N N 595 123.800 123.800 121.238 2.562 18462 9020 1 12 . 1 1 595 595 ARG HA H 595 4.038 4.038 4.272 -0.234 18462 9021 1 12 . 1 1 595 595 ARG C C 595 175.440 175.440 175.759 -0.319 18462 9022 1 12 . 1 1 595 595 ARG CA C 595 56.386 56.386 55.898 0.488 18462 9023 1 12 . 1 1 595 595 ARG CB C 595 30.516 30.516 30.565 -0.049 18462 9024 1 12 . 1 1 595 595 ARG H H 595 9.075 9.075 8.220 0.855 18462 9025 1 12 . 1 1 596 596 GLN N N 596 124.290 124.290 122.216 2.074 18462 9026 1 12 . 1 1 596 596 GLN HA H 596 4.420 4.420 4.369 0.051 18462 9027 1 12 . 1 1 596 596 GLN C C 596 174.630 174.630 174.832 -0.202 18462 9028 1 12 . 1 1 596 596 GLN CA C 596 52.907 52.907 54.325 -1.418 18462 9029 1 12 . 1 1 596 596 GLN CB C 596 30.164 30.164 29.048 1.116 18462 9030 1 12 . 1 1 596 596 GLN H H 596 8.495 8.495 8.384 0.111 18462 9031 1 12 . 1 1 597 597 TYR N N 597 121.829 121.829 121.861 -0.032 18462 9032 1 12 . 1 1 597 597 TYR HA H 597 4.767 4.767 4.209 0.558 18462 9033 1 12 . 1 1 597 597 TYR C C 597 175.453 175.453 176.786 -1.333 18462 9034 1 12 . 1 1 597 597 TYR CA C 597 57.467 57.467 58.389 -0.922 18462 9035 1 12 . 1 1 597 597 TYR CB C 597 38.839 38.839 38.774 0.065 18462 9036 1 12 . 1 1 597 597 TYR H H 597 7.966 7.966 8.348 -0.382 18462 9037 1 12 . 1 1 598 598 ALA N N 598 129.272 129.272 126.074 3.198 18462 9038 1 12 . 1 1 598 598 ALA HA H 598 4.191 4.191 4.078 0.113 18462 9039 1 12 . 1 1 598 598 ALA C C 598 177.425 177.425 177.937 -0.512 18462 9040 1 12 . 1 1 598 598 ALA CA C 598 54.040 54.040 54.486 -0.446 18462 9041 1 12 . 1 1 598 598 ALA CB C 598 17.749 17.749 18.429 -0.680 18462 9042 1 12 . 1 1 598 598 ALA H H 598 9.540 9.540 8.941 0.599 18462 9043 1 12 . 1 1 599 599 TYR N N 599 115.845 115.845 112.087 3.758 18462 9044 1 12 . 1 1 599 599 TYR HA H 599 4.560 4.560 4.686 -0.126 18462 9045 1 12 . 1 1 599 599 TYR C C 599 173.276 173.276 175.603 -2.327 18462 9046 1 12 . 1 1 599 599 TYR CA C 599 58.172 58.172 58.280 -0.108 18462 9047 1 12 . 1 1 599 599 TYR CB C 599 36.432 36.432 38.155 -1.723 18462 9048 1 12 . 1 1 599 599 TYR H H 599 8.496 8.496 7.904 0.592 18462 9049 1 12 . 1 1 600 600 LEU N N 600 120.764 120.764 118.595 2.169 18462 9050 1 12 . 1 1 600 600 LEU HA H 600 4.260 4.260 4.266 -0.006 18462 9051 1 12 . 1 1 600 600 LEU C C 600 176.164 176.164 177.976 -1.812 18462 9052 1 12 . 1 1 600 600 LEU CA C 600 54.303 54.303 55.316 -1.012 18462 9053 1 12 . 1 1 600 600 LEU CB C 600 41.419 41.419 41.539 -0.120 18462 9054 1 12 . 1 1 600 600 LEU H H 600 7.299 7.299 7.577 -0.278 18462 9055 1 12 . 1 1 601 601 SER N N 601 114.419 114.419 112.703 1.716 18462 9056 1 12 . 1 1 601 601 SER HA H 601 4.418 4.418 4.486 -0.068 18462 9057 1 12 . 1 1 601 601 SER C C 601 177.754 177.754 174.145 3.609 18462 9058 1 12 . 1 1 601 601 SER CA C 601 58.054 58.054 59.832 -1.778 18462 9059 1 12 . 1 1 601 601 SER CB C 601 63.212 63.212 64.496 -1.284 18462 9060 1 12 . 1 1 601 601 SER H H 601 7.896 7.896 7.838 0.058 18462 9061 1 12 . 1 1 602 602 ASP N N 602 122.293 122.293 119.238 3.055 18462 9062 1 12 . 1 1 602 602 ASP HA H 602 4.651 4.651 4.780 -0.129 18462 9063 1 12 . 1 1 602 602 ASP C C 602 174.087 174.087 174.324 -0.237 18462 9064 1 12 . 1 1 602 602 ASP CA C 602 53.845 53.845 53.201 0.644 18462 9065 1 12 . 1 1 602 602 ASP CB C 602 40.481 40.481 43.153 -2.672 18462 9066 1 12 . 1 1 602 602 ASP H H 602 8.257 8.257 7.483 0.774 18462 9067 1 12 . 1 1 603 603 ARG N N 603 121.398 121.398 121.485 -0.087 18462 9068 1 12 . 1 1 603 603 ARG HA H 603 4.454 4.454 4.216 0.238 18462 9069 1 12 . 1 1 603 603 ARG C C 603 176.111 176.111 176.538 -0.427 18462 9070 1 12 . 1 1 603 603 ARG CA C 603 55.241 55.241 57.318 -2.077 18462 9071 1 12 . 1 1 603 603 ARG CB C 603 30.164 30.164 30.745 -0.581 18462 9072 1 12 . 1 1 603 603 ARG H H 603 8.234 8.234 8.486 -0.252 18462 9073 1 13 . 1 1 473 473 ASN HA H 473 4.815 4.815 5.070 -0.255 18462 9074 1 13 . 1 1 473 473 ASN CA C 473 52.204 52.204 52.452 -0.248 18462 9075 1 13 . 1 1 473 473 ASN CB C 473 38.371 38.371 40.607 -2.236 18462 9076 1 13 . 1 1 474 474 LYS N N 474 122.150 122.150 120.137 2.013 18462 9077 1 13 . 1 1 474 474 LYS HA H 474 4.375 4.375 4.518 -0.143 18462 9078 1 13 . 1 1 474 474 LYS C C 474 174.965 174.965 176.231 -1.266 18462 9079 1 13 . 1 1 474 474 LYS CA C 474 55.944 55.944 55.780 0.164 18462 9080 1 13 . 1 1 474 474 LYS CB C 474 32.405 32.405 33.163 -0.758 18462 9081 1 13 . 1 1 474 474 LYS H H 474 8.586 8.586 8.178 0.408 18462 9082 1 13 . 1 1 475 475 ARG N N 475 122.278 122.278 120.996 1.282 18462 9083 1 13 . 1 1 475 475 ARG HA H 475 4.374 4.374 4.251 0.123 18462 9084 1 13 . 1 1 475 475 ARG C C 475 176.695 176.695 175.622 1.073 18462 9085 1 13 . 1 1 475 475 ARG CA C 475 55.944 55.944 56.624 -0.680 18462 9086 1 13 . 1 1 475 475 ARG CB C 475 30.164 30.164 30.284 -0.120 18462 9087 1 13 . 1 1 475 475 ARG H H 475 8.662 8.662 8.537 0.125 18462 9088 1 13 . 1 1 476 476 MET N N 476 122.046 122.046 121.989 0.057 18462 9089 1 13 . 1 1 476 476 MET HA H 476 4.496 4.496 4.575 -0.079 18462 9090 1 13 . 1 1 476 476 MET C C 476 176.359 176.359 174.765 1.594 18462 9091 1 13 . 1 1 476 476 MET CA C 476 54.537 54.537 54.816 -0.279 18462 9092 1 13 . 1 1 476 476 MET CB C 476 32.509 32.509 34.910 -2.401 18462 9093 1 13 . 1 1 476 476 MET H H 476 8.490 8.490 8.075 0.415 18462 9094 1 13 . 1 1 477 477 LYS N N 477 123.768 123.768 122.069 1.699 18462 9095 1 13 . 1 1 477 477 LYS HA H 477 4.384 4.384 4.723 -0.339 18462 9096 1 13 . 1 1 477 477 LYS C C 477 176.015 176.015 175.811 0.204 18462 9097 1 13 . 1 1 477 477 LYS CA C 477 55.834 55.834 55.814 0.020 18462 9098 1 13 . 1 1 477 477 LYS CB C 477 32.107 32.107 32.199 -0.092 18462 9099 1 13 . 1 1 477 477 LYS H H 477 8.472 8.472 8.368 0.104 18462 9100 1 13 . 1 1 478 478 VAL N N 478 122.460 122.460 118.306 4.154 18462 9101 1 13 . 1 1 478 478 VAL HA H 478 4.054 4.054 4.324 -0.270 18462 9102 1 13 . 1 1 478 478 VAL C C 478 176.320 176.320 175.274 1.046 18462 9103 1 13 . 1 1 478 478 VAL CA C 478 61.337 61.337 60.863 0.474 18462 9104 1 13 . 1 1 478 478 VAL CB C 478 32.275 32.275 32.466 -0.191 18462 9105 1 13 . 1 1 478 478 VAL H H 478 8.230 8.230 7.658 0.572 18462 9106 1 13 . 1 1 479 479 LYS N N 479 126.119 126.119 121.022 5.097 18462 9107 1 13 . 1 1 479 479 LYS HA H 479 4.365 4.365 4.511 -0.146 18462 9108 1 13 . 1 1 479 479 LYS C C 479 175.605 175.605 176.052 -0.447 18462 9109 1 13 . 1 1 479 479 LYS CA C 479 55.006 55.006 56.040 -1.034 18462 9110 1 13 . 1 1 479 479 LYS CB C 479 32.098 32.098 32.774 -0.676 18462 9111 1 13 . 1 1 479 479 LYS H H 479 8.453 8.453 8.063 0.390 18462 9112 1 13 . 1 1 480 480 HIS N N 480 121.065 121.065 119.511 1.554 18462 9113 1 13 . 1 1 480 480 HIS HA H 480 4.713 4.713 4.769 -0.056 18462 9114 1 13 . 1 1 480 480 HIS C C 480 175.937 175.937 175.111 0.826 18462 9115 1 13 . 1 1 480 480 HIS CA C 480 54.537 54.537 55.462 -0.925 18462 9116 1 13 . 1 1 480 480 HIS CB C 480 30.047 30.047 32.923 -2.876 18462 9117 1 13 . 1 1 480 480 HIS H H 480 8.559 8.559 8.645 -0.086 18462 9118 1 13 . 1 1 481 481 ASP HA H 481 4.392 4.392 4.527 -0.135 18462 9119 1 13 . 1 1 481 481 ASP C C 481 174.413 174.413 176.007 -1.594 18462 9120 1 13 . 1 1 481 481 ASP CA C 481 52.907 52.907 53.877 -0.970 18462 9121 1 13 . 1 1 481 481 ASP CB C 481 39.543 39.543 40.399 -0.856 18462 9122 1 13 . 1 1 482 482 ASP N N 482 118.362 118.362 117.699 0.663 18462 9123 1 13 . 1 1 482 482 ASP HA H 482 4.710 4.710 4.374 0.336 18462 9124 1 13 . 1 1 482 482 ASP C C 482 175.104 175.104 175.179 -0.075 18462 9125 1 13 . 1 1 482 482 ASP CA C 482 53.376 53.376 53.782 -0.406 18462 9126 1 13 . 1 1 482 482 ASP CB C 482 39.308 39.308 39.370 -0.062 18462 9127 1 13 . 1 1 482 482 ASP H H 482 8.216 8.216 8.448 -0.232 18462 9128 1 13 . 1 1 483 483 HIS N N 483 113.578 113.578 112.800 0.778 18462 9129 1 13 . 1 1 483 483 HIS HA H 483 5.886 5.886 5.398 0.488 18462 9130 1 13 . 1 1 483 483 HIS C C 483 175.274 175.274 172.861 2.413 18462 9131 1 13 . 1 1 483 483 HIS CA C 483 55.241 55.241 55.285 -0.044 18462 9132 1 13 . 1 1 483 483 HIS CB C 483 32.040 32.040 31.536 0.504 18462 9133 1 13 . 1 1 483 483 HIS H H 483 7.692 7.692 7.101 0.591 18462 9134 1 13 . 1 1 484 484 TYR N N 484 116.271 116.271 114.542 1.729 18462 9135 1 13 . 1 1 484 484 TYR HA H 484 5.003 5.003 4.957 0.046 18462 9136 1 13 . 1 1 484 484 TYR C C 484 180.038 180.038 173.793 6.245 18462 9137 1 13 . 1 1 484 484 TYR CA C 484 55.241 55.241 56.357 -1.116 18462 9138 1 13 . 1 1 484 484 TYR CB C 484 39.777 39.777 40.434 -0.657 18462 9139 1 13 . 1 1 484 484 TYR H H 484 8.493 8.493 8.741 -0.248 18462 9140 1 13 . 1 1 485 485 GLU N N 485 120.840 120.840 121.475 -0.635 18462 9141 1 13 . 1 1 485 485 GLU HA H 485 5.301 5.301 4.795 0.506 18462 9142 1 13 . 1 1 485 485 GLU C C 485 174.101 174.101 175.479 -1.378 18462 9143 1 13 . 1 1 485 485 GLU CA C 485 54.772 54.772 55.831 -1.059 18462 9144 1 13 . 1 1 485 485 GLU CB C 485 31.337 31.337 30.945 0.392 18462 9145 1 13 . 1 1 485 485 GLU H H 485 8.873 8.873 8.788 0.085 18462 9146 1 13 . 1 1 486 486 LEU N N 486 125.807 125.807 128.077 -2.270 18462 9147 1 13 . 1 1 486 486 LEU HA H 486 4.762 4.762 4.838 -0.076 18462 9148 1 13 . 1 1 486 486 LEU C C 486 175.613 175.613 174.869 0.744 18462 9149 1 13 . 1 1 486 486 LEU CA C 486 53.645 53.645 53.932 -0.287 18462 9150 1 13 . 1 1 486 486 LEU CB C 486 45.873 45.873 44.620 1.253 18462 9151 1 13 . 1 1 486 486 LEU H H 486 8.957 8.957 8.849 0.108 18462 9152 1 13 . 1 1 487 487 ILE N N 487 125.332 125.332 128.010 -2.678 18462 9153 1 13 . 1 1 487 487 ILE HA H 487 5.007 5.007 4.490 0.517 18462 9154 1 13 . 1 1 487 487 ILE C C 487 174.543 174.543 175.604 -1.061 18462 9155 1 13 . 1 1 487 487 ILE CA C 487 59.695 59.695 61.318 -1.623 18462 9156 1 13 . 1 1 487 487 ILE CB C 487 37.433 37.433 38.240 -0.807 18462 9157 1 13 . 1 1 487 487 ILE H H 487 8.549 8.549 8.552 -0.003 18462 9158 1 13 . 1 1 488 488 VAL N N 488 129.307 129.307 127.850 1.457 18462 9159 1 13 . 1 1 488 488 VAL HA H 488 4.304 4.304 4.160 0.144 18462 9160 1 13 . 1 1 488 488 VAL C C 488 176.678 176.678 175.221 1.457 18462 9161 1 13 . 1 1 488 488 VAL CA C 488 60.868 60.868 60.808 0.060 18462 9162 1 13 . 1 1 488 488 VAL CB C 488 33.681 33.681 34.838 -1.157 18462 9163 1 13 . 1 1 488 488 VAL H H 488 9.456 9.456 8.597 0.859 18462 9164 1 13 . 1 1 489 489 ASP N N 489 128.884 128.884 127.291 1.593 18462 9165 1 13 . 1 1 489 489 ASP HA H 489 4.301 4.301 4.251 0.050 18462 9166 1 13 . 1 1 489 489 ASP C C 489 176.084 176.084 177.086 -1.002 18462 9167 1 13 . 1 1 489 489 ASP CA C 489 54.537 54.537 54.707 -0.170 18462 9168 1 13 . 1 1 489 489 ASP CB C 489 39.074 39.074 40.446 -1.372 18462 9169 1 13 . 1 1 489 489 ASP H H 489 9.144 9.144 9.089 0.055 18462 9170 1 13 . 1 1 490 490 GLY N N 490 102.410 102.410 102.370 0.040 18462 9171 1 13 . 1 1 490 490 GLY C C 490 175.998 175.998 173.938 2.060 18462 9172 1 13 . 1 1 490 490 GLY CA C 490 44.818 44.818 45.437 -0.619 18462 9173 1 13 . 1 1 490 490 GLY H H 490 8.210 8.210 8.344 -0.134 18462 9174 1 13 . 1 1 491 491 ARG N N 491 122.605 122.605 120.275 2.330 18462 9175 1 13 . 1 1 491 491 ARG HA H 491 4.597 4.597 4.642 -0.045 18462 9176 1 13 . 1 1 491 491 ARG C C 491 173.256 173.256 175.034 -1.778 18462 9177 1 13 . 1 1 491 491 ARG CA C 491 53.610 53.610 54.263 -0.653 18462 9178 1 13 . 1 1 491 491 ARG CB C 491 32.040 32.040 32.139 -0.099 18462 9179 1 13 . 1 1 491 491 ARG H H 491 7.938 7.938 7.811 0.127 18462 9180 1 13 . 1 1 492 492 VAL N N 492 123.769 123.769 123.562 0.207 18462 9181 1 13 . 1 1 492 492 VAL HA H 492 4.128 4.128 3.829 0.298 18462 9182 1 13 . 1 1 492 492 VAL C C 492 173.470 173.470 175.083 -1.613 18462 9183 1 13 . 1 1 492 492 VAL CA C 492 62.210 62.210 62.390 -0.180 18462 9184 1 13 . 1 1 492 492 VAL CB C 492 32.040 32.040 31.515 0.525 18462 9185 1 13 . 1 1 492 492 VAL H H 492 8.157 8.157 8.513 -0.356 18462 9186 1 13 . 1 1 493 493 TYR N N 493 124.842 124.842 127.404 -2.562 18462 9187 1 13 . 1 1 493 493 TYR HA H 493 4.632 4.632 4.754 -0.122 18462 9188 1 13 . 1 1 493 493 TYR C C 493 174.288 174.288 175.558 -1.270 18462 9189 1 13 . 1 1 493 493 TYR CA C 493 56.308 56.308 54.047 2.260 18462 9190 1 13 . 1 1 493 493 TYR CB C 493 40.481 40.481 38.632 1.849 18462 9191 1 13 . 1 1 493 493 TYR H H 493 8.981 8.981 8.774 0.207 18462 9192 1 13 . 1 1 494 494 TYR N N 494 120.511 120.511 123.700 -3.189 18462 9193 1 13 . 1 1 494 494 TYR HA H 494 4.763 4.763 4.933 -0.170 18462 9194 1 13 . 1 1 494 494 TYR C C 494 173.811 173.811 175.924 -2.113 18462 9195 1 13 . 1 1 494 494 TYR CA C 494 56.764 56.764 57.991 -1.227 18462 9196 1 13 . 1 1 494 494 TYR CB C 494 38.722 38.722 37.658 1.064 18462 9197 1 13 . 1 1 494 494 TYR H H 494 9.235 9.235 8.687 0.548 18462 9198 1 13 . 1 1 495 495 ILE N N 495 124.930 124.930 123.808 1.122 18462 9199 1 13 . 1 1 495 495 ILE HA H 495 4.780 4.780 4.712 0.068 18462 9200 1 13 . 1 1 495 495 ILE C C 495 174.764 174.764 175.753 -0.989 18462 9201 1 13 . 1 1 495 495 ILE CA C 495 57.714 57.714 59.457 -1.743 18462 9202 1 13 . 1 1 495 495 ILE CB C 495 36.729 36.729 39.772 -3.043 18462 9203 1 13 . 1 1 495 495 ILE H H 495 9.136 9.136 9.183 -0.047 18462 9204 1 13 . 1 1 496 496 CYS N N 496 127.535 127.535 128.002 -0.467 18462 9205 1 13 . 1 1 496 496 CYS HA H 496 4.745 4.745 4.915 -0.170 18462 9206 1 13 . 1 1 496 496 CYS C C 496 176.128 176.128 177.038 -0.910 18462 9207 1 13 . 1 1 496 496 CYS CA C 496 60.574 60.574 58.989 1.585 18462 9208 1 13 . 1 1 496 496 CYS CB C 496 29.227 29.227 27.974 1.253 18462 9209 1 13 . 1 1 496 496 CYS H H 496 9.016 9.016 8.721 0.295 18462 9210 1 13 . 1 1 497 497 ILE N N 497 129.645 129.645 125.897 3.748 18462 9211 1 13 . 1 1 497 497 ILE HA H 497 4.176 4.176 4.214 -0.038 18462 9212 1 13 . 1 1 497 497 ILE C C 497 177.925 177.925 176.522 1.403 18462 9213 1 13 . 1 1 497 497 ILE CA C 497 63.447 63.447 64.186 -0.739 18462 9214 1 13 . 1 1 497 497 ILE CB C 497 39.543 39.543 37.940 1.603 18462 9215 1 13 . 1 1 497 497 ILE H H 497 8.295 8.295 8.162 0.133 18462 9216 1 13 . 1 1 498 498 VAL N N 498 123.791 123.791 120.285 3.506 18462 9217 1 13 . 1 1 498 498 VAL HA H 498 3.939 3.939 3.800 0.139 18462 9218 1 13 . 1 1 498 498 VAL C C 498 176.127 176.127 177.537 -1.410 18462 9219 1 13 . 1 1 498 498 VAL CA C 498 64.619 64.619 65.426 -0.807 18462 9220 1 13 . 1 1 498 498 VAL CB C 498 32.275 32.275 31.666 0.609 18462 9221 1 13 . 1 1 498 498 VAL H H 498 8.993 8.993 8.072 0.921 18462 9222 1 13 . 1 1 499 499 CYS N N 499 117.267 117.267 112.205 5.062 18462 9223 1 13 . 1 1 499 499 CYS HA H 499 5.157 5.157 4.865 0.292 18462 9224 1 13 . 1 1 499 499 CYS C C 499 177.106 177.106 174.885 2.221 18462 9225 1 13 . 1 1 499 499 CYS CA C 499 57.820 57.820 57.685 0.135 18462 9226 1 13 . 1 1 499 499 CYS CB C 499 31.571 31.571 29.185 2.386 18462 9227 1 13 . 1 1 499 499 CYS H H 499 8.307 8.307 7.961 0.346 18462 9228 1 13 . 1 1 500 500 LYS N N 500 117.950 117.950 118.662 -0.712 18462 9229 1 13 . 1 1 500 500 LYS HA H 500 4.306 4.306 4.047 0.259 18462 9230 1 13 . 1 1 500 500 LYS C C 500 175.869 175.869 175.451 0.418 18462 9231 1 13 . 1 1 500 500 LYS CA C 500 57.585 57.585 57.218 0.367 18462 9232 1 13 . 1 1 500 500 LYS CB C 500 28.289 28.289 29.655 -1.366 18462 9233 1 13 . 1 1 500 500 LYS H H 500 8.169 8.169 8.187 -0.018 18462 9234 1 13 . 1 1 501 501 ARG N N 501 121.270 121.270 119.766 1.504 18462 9235 1 13 . 1 1 501 501 ARG HA H 501 4.090 4.090 4.166 -0.076 18462 9236 1 13 . 1 1 501 501 ARG C C 501 175.587 175.587 175.704 -0.117 18462 9237 1 13 . 1 1 501 501 ARG CA C 501 58.289 58.289 55.896 2.393 18462 9238 1 13 . 1 1 501 501 ARG CB C 501 29.694 29.694 31.102 -1.408 18462 9239 1 13 . 1 1 501 501 ARG H H 501 8.071 8.071 7.761 0.310 18462 9240 1 13 . 1 1 502 502 SER N N 502 112.997 112.997 117.890 -4.893 18462 9241 1 13 . 1 1 502 502 SER HA H 502 5.003 5.003 4.699 0.304 18462 9242 1 13 . 1 1 502 502 SER C C 502 174.417 174.417 173.230 1.187 18462 9243 1 13 . 1 1 502 502 SER CA C 502 55.475 55.475 57.247 -1.772 18462 9244 1 13 . 1 1 502 502 SER CB C 502 65.088 65.088 64.314 0.774 18462 9245 1 13 . 1 1 502 502 SER H H 502 7.553 7.553 8.249 -0.696 18462 9246 1 13 . 1 1 503 503 TYR N N 503 121.115 121.115 121.820 -0.705 18462 9247 1 13 . 1 1 503 503 TYR HA H 503 4.996 4.996 4.678 0.318 18462 9248 1 13 . 1 1 503 503 TYR C C 503 173.707 173.707 175.546 -1.839 18462 9249 1 13 . 1 1 503 503 TYR CA C 503 57.585 57.585 57.667 -0.082 18462 9250 1 13 . 1 1 503 503 TYR CB C 503 42.244 42.244 41.804 0.439 18462 9251 1 13 . 1 1 503 503 TYR H H 503 8.958 8.958 8.633 0.325 18462 9252 1 13 . 1 1 504 504 VAL N N 504 119.390 119.390 120.183 -0.793 18462 9253 1 13 . 1 1 504 504 VAL HA H 504 4.376 4.376 4.063 0.313 18462 9254 1 13 . 1 1 504 504 VAL C C 504 176.390 176.390 175.814 0.576 18462 9255 1 13 . 1 1 504 504 VAL CA C 504 62.275 62.275 64.134 -1.859 18462 9256 1 13 . 1 1 504 504 VAL CB C 504 33.025 33.025 32.587 0.439 18462 9257 1 13 . 1 1 504 504 VAL H H 504 9.988 9.988 8.618 1.370 18462 9258 1 13 . 1 1 505 505 CYS N N 505 113.800 113.800 116.139 -2.339 18462 9259 1 13 . 1 1 505 505 CYS HA H 505 4.998 4.998 4.747 0.251 18462 9260 1 13 . 1 1 505 505 CYS C C 505 176.603 176.603 174.783 1.820 18462 9261 1 13 . 1 1 505 505 CYS CA C 505 56.647 56.647 57.815 -1.168 18462 9262 1 13 . 1 1 505 505 CYS CB C 505 38.406 38.406 31.385 7.021 18462 9263 1 13 . 1 1 505 505 CYS H H 505 7.518 7.518 7.703 -0.185 18462 9264 1 13 . 1 1 506 506 LEU N N 506 129.535 129.535 124.250 5.285 18462 9265 1 13 . 1 1 506 506 LEU HA H 506 3.325 3.325 3.559 -0.234 18462 9266 1 13 . 1 1 506 506 LEU C C 506 174.727 174.727 177.705 -2.978 18462 9267 1 13 . 1 1 506 506 LEU CA C 506 56.647 56.647 58.030 -1.383 18462 9268 1 13 . 1 1 506 506 LEU CB C 506 39.308 39.308 41.176 -1.869 18462 9269 1 13 . 1 1 506 506 LEU H H 506 8.602 8.602 8.701 -0.099 18462 9270 1 13 . 1 1 507 507 THR N N 507 108.833 108.833 110.516 -1.683 18462 9271 1 13 . 1 1 507 507 THR HA H 507 3.820 3.820 3.864 -0.044 18462 9272 1 13 . 1 1 507 507 THR C C 507 178.905 178.905 176.603 2.302 18462 9273 1 13 . 1 1 507 507 THR CA C 507 64.150 64.150 66.133 -1.983 18462 9274 1 13 . 1 1 507 507 THR CB C 507 66.260 66.260 67.827 -1.567 18462 9275 1 13 . 1 1 507 507 THR H H 507 8.087 8.087 8.194 -0.107 18462 9276 1 13 . 1 1 508 508 SER N N 508 119.009 119.009 118.722 0.287 18462 9277 1 13 . 1 1 508 508 SER HA H 508 4.123 4.123 4.023 0.100 18462 9278 1 13 . 1 1 508 508 SER C C 508 178.467 178.467 175.918 2.549 18462 9279 1 13 . 1 1 508 508 SER CA C 508 59.461 59.461 61.291 -1.829 18462 9280 1 13 . 1 1 508 508 SER CB C 508 62.978 62.978 62.820 0.158 18462 9281 1 13 . 1 1 508 508 SER H H 508 7.230 7.230 7.383 -0.153 18462 9282 1 13 . 1 1 509 509 LEU N N 509 127.365 127.365 123.744 3.621 18462 9283 1 13 . 1 1 509 509 LEU HA H 509 3.216 3.216 3.480 -0.264 18462 9284 1 13 . 1 1 509 509 LEU C C 509 176.740 176.740 177.685 -0.945 18462 9285 1 13 . 1 1 509 509 LEU CA C 509 57.351 57.351 57.928 -0.577 18462 9286 1 13 . 1 1 509 509 LEU CB C 509 39.074 39.074 41.703 -2.629 18462 9287 1 13 . 1 1 509 509 LEU H H 509 7.114 7.114 7.145 -0.031 18462 9288 1 13 . 1 1 510 510 ARG N N 510 119.955 119.955 118.358 1.597 18462 9289 1 13 . 1 1 510 510 ARG HA H 510 3.843 3.843 3.953 -0.110 18462 9290 1 13 . 1 1 510 510 ARG C C 510 178.472 178.472 179.043 -0.571 18462 9291 1 13 . 1 1 510 510 ARG CA C 510 61.766 61.766 58.063 3.703 18462 9292 1 13 . 1 1 510 510 ARG CB C 510 28.992 28.992 29.191 -0.199 18462 9293 1 13 . 1 1 510 510 ARG H H 510 8.100 8.100 8.354 -0.254 18462 9294 1 13 . 1 1 511 511 ARG N N 511 120.947 120.947 118.459 2.488 18462 9295 1 13 . 1 1 511 511 ARG HA H 511 4.078 4.078 3.934 0.144 18462 9296 1 13 . 1 1 511 511 ARG C C 511 178.262 178.262 178.410 -0.148 18462 9297 1 13 . 1 1 511 511 ARG CA C 511 59.054 59.054 58.967 0.087 18462 9298 1 13 . 1 1 511 511 ARG CB C 511 29.695 29.695 29.994 -0.299 18462 9299 1 13 . 1 1 511 511 ARG H H 511 7.802 7.802 7.843 -0.041 18462 9300 1 13 . 1 1 512 512 HIS N N 512 116.820 116.820 118.655 -1.835 18462 9301 1 13 . 1 1 512 512 HIS HA H 512 4.219 4.219 4.270 -0.051 18462 9302 1 13 . 1 1 512 512 HIS C C 512 178.069 178.069 177.094 0.975 18462 9303 1 13 . 1 1 512 512 HIS CA C 512 57.507 57.507 58.714 -1.206 18462 9304 1 13 . 1 1 512 512 HIS CB C 512 27.390 27.390 30.003 -2.613 18462 9305 1 13 . 1 1 512 512 HIS H H 512 7.809 7.809 7.991 -0.182 18462 9306 1 13 . 1 1 513 513 PHE N N 513 118.415 118.415 120.726 -2.311 18462 9307 1 13 . 1 1 513 513 PHE HA H 513 3.620 3.620 3.946 -0.326 18462 9308 1 13 . 1 1 513 513 PHE C C 513 176.026 176.026 176.563 -0.537 18462 9309 1 13 . 1 1 513 513 PHE CA C 513 61.102 61.102 61.555 -0.453 18462 9310 1 13 . 1 1 513 513 PHE CB C 513 38.996 38.996 38.946 0.050 18462 9311 1 13 . 1 1 513 513 PHE H H 513 8.898 8.898 8.838 0.060 18462 9312 1 13 . 1 1 514 514 ASN N N 514 114.080 114.080 118.986 -4.906 18462 9313 1 13 . 1 1 514 514 ASN HA H 514 4.988 4.988 4.338 0.650 18462 9314 1 13 . 1 1 514 514 ASN C C 514 176.236 176.236 177.243 -1.007 18462 9315 1 13 . 1 1 514 514 ASN CA C 514 55.006 55.006 55.778 -0.772 18462 9316 1 13 . 1 1 514 514 ASN CB C 514 40.129 40.129 38.489 1.640 18462 9317 1 13 . 1 1 514 514 ASN H H 514 8.678 8.678 7.714 0.964 18462 9318 1 13 . 1 1 515 515 ILE N N 515 114.035 114.035 118.058 -4.023 18462 9319 1 13 . 1 1 515 515 ILE HA H 515 2.997 2.997 3.231 -0.234 18462 9320 1 13 . 1 1 515 515 ILE C C 515 176.292 176.292 175.975 0.317 18462 9321 1 13 . 1 1 515 515 ILE CA C 515 63.447 63.447 63.508 -0.061 18462 9322 1 13 . 1 1 515 515 ILE CB C 515 37.198 37.198 37.487 -0.289 18462 9323 1 13 . 1 1 515 515 ILE H H 515 7.919 7.919 7.840 0.079 18462 9324 1 13 . 1 1 516 516 HIS N N 516 113.136 113.136 117.566 -4.430 18462 9325 1 13 . 1 1 516 516 HIS HA H 516 4.767 4.767 4.580 0.187 18462 9326 1 13 . 1 1 516 516 HIS C C 516 175.870 175.870 177.218 -1.348 18462 9327 1 13 . 1 1 516 516 HIS CA C 516 54.542 54.542 58.101 -3.559 18462 9328 1 13 . 1 1 516 516 HIS CB C 516 27.585 27.585 30.098 -2.513 18462 9329 1 13 . 1 1 516 516 HIS H H 516 7.170 7.170 7.513 -0.343 18462 9330 1 13 . 1 1 517 517 SER N N 517 112.852 112.852 114.253 -1.401 18462 9331 1 13 . 1 1 517 517 SER HA H 517 4.359 4.359 4.343 0.016 18462 9332 1 13 . 1 1 517 517 SER C C 517 177.067 177.067 175.556 1.511 18462 9333 1 13 . 1 1 517 517 SER CA C 517 58.758 58.758 59.638 -0.880 18462 9334 1 13 . 1 1 517 517 SER CB C 517 63.447 63.447 64.282 -0.835 18462 9335 1 13 . 1 1 517 517 SER H H 517 7.886 7.886 7.907 -0.021 18462 9336 1 13 . 1 1 518 518 TRP N N 518 122.824 122.824 118.931 3.893 18462 9337 1 13 . 1 1 518 518 TRP HA H 518 4.005 4.005 4.442 -0.437 18462 9338 1 13 . 1 1 518 518 TRP C C 518 175.133 175.133 175.825 -0.692 18462 9339 1 13 . 1 1 518 518 TRP CA C 518 57.820 57.820 58.595 -0.775 18462 9340 1 13 . 1 1 518 518 TRP CB C 518 25.710 25.710 26.743 -1.033 18462 9341 1 13 . 1 1 518 518 TRP H H 518 9.274 9.274 7.679 1.595 18462 9342 1 13 . 1 1 519 519 GLU N N 519 119.673 119.673 117.374 2.299 18462 9343 1 13 . 1 1 519 519 GLU HA H 519 4.042 4.042 4.162 -0.120 18462 9344 1 13 . 1 1 519 519 GLU C C 519 175.353 175.353 176.588 -1.235 18462 9345 1 13 . 1 1 519 519 GLU CA C 519 58.758 58.758 58.333 0.425 18462 9346 1 13 . 1 1 519 519 GLU CB C 519 29.695 29.695 30.504 -0.809 18462 9347 1 13 . 1 1 519 519 GLU H H 519 7.828 7.828 7.796 0.032 18462 9348 1 13 . 1 1 520 520 LYS N N 520 118.358 118.358 118.836 -0.478 18462 9349 1 13 . 1 1 520 520 LYS HA H 520 4.544 4.544 4.397 0.147 18462 9350 1 13 . 1 1 520 520 LYS C C 520 178.036 178.036 174.801 3.235 18462 9351 1 13 . 1 1 520 520 LYS CA C 520 53.845 53.845 54.863 -1.018 18462 9352 1 13 . 1 1 520 520 LYS CB C 520 34.385 34.385 33.945 0.440 18462 9353 1 13 . 1 1 520 520 LYS H H 520 9.085 9.085 8.128 0.957 18462 9354 1 13 . 1 1 521 521 LYS N N 521 118.859 118.859 122.891 -4.032 18462 9355 1 13 . 1 1 521 521 LYS HA H 521 4.658 4.658 4.461 0.197 18462 9356 1 13 . 1 1 521 521 LYS C C 521 175.168 175.168 176.072 -0.904 18462 9357 1 13 . 1 1 521 521 LYS CA C 521 54.537 54.537 55.840 -1.303 18462 9358 1 13 . 1 1 521 521 LYS CB C 521 35.323 35.323 33.765 1.558 18462 9359 1 13 . 1 1 521 521 LYS H H 521 8.238 8.238 8.278 -0.040 18462 9360 1 13 . 1 1 522 522 TYR N N 522 117.305 117.305 121.972 -4.667 18462 9361 1 13 . 1 1 522 522 TYR HA H 522 5.028 5.028 4.898 0.130 18462 9362 1 13 . 1 1 522 522 TYR C C 522 175.016 175.016 174.035 0.981 18462 9363 1 13 . 1 1 522 522 TYR CA C 522 54.537 54.537 55.191 -0.654 18462 9364 1 13 . 1 1 522 522 TYR CB C 522 37.198 37.198 38.520 -1.322 18462 9365 1 13 . 1 1 522 522 TYR H H 522 7.788 7.788 8.713 -0.925 18462 9366 1 13 . 1 1 523 523 PRO HA H 523 5.026 5.026 5.012 0.014 18462 9367 1 13 . 1 1 523 523 PRO CA C 523 61.806 61.806 62.214 -0.408 18462 9368 1 13 . 1 1 523 523 PRO CB C 523 31.839 31.839 32.794 -0.955 18462 9369 1 13 . 1 1 524 524 CYS N N 524 126.569 126.569 122.886 3.683 18462 9370 1 13 . 1 1 524 524 CYS HA H 524 4.739 4.739 4.734 0.005 18462 9371 1 13 . 1 1 524 524 CYS C C 524 176.841 176.841 176.167 0.674 18462 9372 1 13 . 1 1 524 524 CYS CA C 524 60.290 60.290 57.404 2.886 18462 9373 1 13 . 1 1 524 524 CYS CB C 524 29.344 29.344 29.777 -0.433 18462 9374 1 13 . 1 1 524 524 CYS H H 524 9.210 9.210 8.723 0.487 18462 9375 1 13 . 1 1 525 525 ARG N N 525 130.294 130.294 125.667 4.627 18462 9376 1 13 . 1 1 525 525 ARG HA H 525 4.285 4.285 4.150 0.135 18462 9377 1 13 . 1 1 525 525 ARG C C 525 176.390 176.390 177.107 -0.717 18462 9378 1 13 . 1 1 525 525 ARG CA C 525 58.043 58.043 58.111 -0.068 18462 9379 1 13 . 1 1 525 525 ARG CB C 525 27.576 27.576 30.108 -2.532 18462 9380 1 13 . 1 1 525 525 ARG H H 525 9.724 9.724 9.224 0.500 18462 9381 1 13 . 1 1 526 526 TYR N N 526 122.622 122.622 118.447 4.175 18462 9382 1 13 . 1 1 526 526 TYR HA H 526 4.517 4.517 4.377 0.140 18462 9383 1 13 . 1 1 526 526 TYR C C 526 176.659 176.659 175.773 0.886 18462 9384 1 13 . 1 1 526 526 TYR CA C 526 58.054 58.054 58.206 -0.152 18462 9385 1 13 . 1 1 526 526 TYR CB C 526 37.628 37.628 38.154 -0.526 18462 9386 1 13 . 1 1 526 526 TYR H H 526 10.439 10.439 8.007 2.432 18462 9387 1 13 . 1 1 527 527 CYS N N 527 122.873 122.873 116.182 6.691 18462 9388 1 13 . 1 1 527 527 CYS HA H 527 5.153 5.153 4.918 0.235 18462 9389 1 13 . 1 1 527 527 CYS C C 527 175.243 175.243 175.159 0.084 18462 9390 1 13 . 1 1 527 527 CYS CA C 527 58.148 58.148 56.217 1.931 18462 9391 1 13 . 1 1 527 527 CYS CB C 527 30.164 30.164 31.640 -1.476 18462 9392 1 13 . 1 1 527 527 CYS H H 527 8.462 8.462 7.726 0.736 18462 9393 1 13 . 1 1 528 528 GLU N N 528 115.906 115.906 119.366 -3.460 18462 9394 1 13 . 1 1 528 528 GLU HA H 528 4.453 4.453 4.152 0.301 18462 9395 1 13 . 1 1 528 528 GLU C C 528 173.484 173.484 175.458 -1.974 18462 9396 1 13 . 1 1 528 528 GLU CA C 528 57.390 57.390 56.363 1.027 18462 9397 1 13 . 1 1 528 528 GLU CB C 528 29.608 29.608 27.904 1.704 18462 9398 1 13 . 1 1 528 528 GLU H H 528 8.704 8.704 8.702 0.002 18462 9399 1 13 . 1 1 529 529 LYS N N 529 125.068 125.068 121.288 3.780 18462 9400 1 13 . 1 1 529 529 LYS HA H 529 4.041 4.041 4.286 -0.245 18462 9401 1 13 . 1 1 529 529 LYS C C 529 176.881 176.881 174.730 2.151 18462 9402 1 13 . 1 1 529 529 LYS CA C 529 57.585 57.585 55.982 1.603 18462 9403 1 13 . 1 1 529 529 LYS CB C 529 33.212 33.212 33.830 -0.618 18462 9404 1 13 . 1 1 529 529 LYS H H 529 8.696 8.696 7.481 1.215 18462 9405 1 13 . 1 1 530 530 VAL N N 530 119.525 119.525 122.595 -3.070 18462 9406 1 13 . 1 1 530 530 VAL HA H 530 4.541 4.541 4.498 0.043 18462 9407 1 13 . 1 1 530 530 VAL C C 530 175.118 175.118 175.378 -0.260 18462 9408 1 13 . 1 1 530 530 VAL CA C 530 60.633 60.633 60.431 0.202 18462 9409 1 13 . 1 1 530 530 VAL CB C 530 34.150 34.150 34.515 -0.365 18462 9410 1 13 . 1 1 530 530 VAL H H 530 8.054 8.054 8.151 -0.097 18462 9411 1 13 . 1 1 531 531 PHE N N 531 122.568 122.568 125.504 -2.936 18462 9412 1 13 . 1 1 531 531 PHE C C 531 174.185 174.185 174.324 -0.139 18462 9413 1 13 . 1 1 531 531 PHE CA C 531 55.586 55.586 55.106 0.480 18462 9414 1 13 . 1 1 531 531 PHE CB C 531 41.184 41.184 40.694 0.490 18462 9415 1 13 . 1 1 531 531 PHE H H 531 8.167 8.167 8.842 -0.675 18462 9416 1 13 . 1 1 532 532 PRO HA H 532 4.359 4.359 4.081 0.278 18462 9417 1 13 . 1 1 532 532 PRO CA C 532 62.216 62.216 62.837 -0.621 18462 9418 1 13 . 1 1 532 532 PRO CB C 532 29.930 29.930 31.855 -1.925 18462 9419 1 13 . 1 1 533 533 LEU N N 533 122.335 122.335 117.554 4.781 18462 9420 1 13 . 1 1 533 533 LEU HA H 533 4.086 4.086 3.973 0.113 18462 9421 1 13 . 1 1 533 533 LEU C C 533 175.091 175.091 176.142 -1.051 18462 9422 1 13 . 1 1 533 533 LEU CA C 533 55.006 55.006 53.083 1.923 18462 9423 1 13 . 1 1 533 533 LEU CB C 533 43.529 43.529 44.511 -0.982 18462 9424 1 13 . 1 1 533 533 LEU H H 533 6.587 6.587 7.351 -0.764 18462 9425 1 13 . 1 1 534 534 ALA N N 534 126.722 126.722 125.120 1.602 18462 9426 1 13 . 1 1 534 534 ALA HA H 534 2.993 2.993 3.482 -0.489 18462 9427 1 13 . 1 1 534 534 ALA C C 534 175.439 175.439 179.088 -3.649 18462 9428 1 13 . 1 1 534 534 ALA CA C 534 54.537 54.537 54.955 -0.418 18462 9429 1 13 . 1 1 534 534 ALA CB C 534 18.452 18.452 17.533 0.919 18462 9430 1 13 . 1 1 534 534 ALA H H 534 7.698 7.698 7.858 -0.160 18462 9431 1 13 . 1 1 535 535 GLU N N 535 119.354 119.354 118.504 0.850 18462 9432 1 13 . 1 1 535 535 GLU HA H 535 4.675 4.675 3.984 0.691 18462 9433 1 13 . 1 1 535 535 GLU C C 535 180.126 180.126 178.759 1.367 18462 9434 1 13 . 1 1 535 535 GLU CA C 535 58.526 58.526 59.496 -0.970 18462 9435 1 13 . 1 1 535 535 GLU H H 535 9.535 9.535 8.635 0.900 18462 9436 1 13 . 1 1 536 536 TYR N N 536 114.592 114.592 117.510 -2.918 18462 9437 1 13 . 1 1 536 536 TYR HA H 536 4.368 4.368 4.085 0.283 18462 9438 1 13 . 1 1 536 536 TYR C C 536 178.004 178.004 177.727 0.277 18462 9439 1 13 . 1 1 536 536 TYR CA C 536 56.179 56.179 58.438 -2.259 18462 9440 1 13 . 1 1 536 536 TYR CB C 536 35.556 35.556 37.095 -1.539 18462 9441 1 13 . 1 1 536 536 TYR H H 536 6.552 6.552 7.922 -1.370 18462 9442 1 13 . 1 1 537 537 ARG N N 537 119.820 119.820 118.433 1.387 18462 9443 1 13 . 1 1 537 537 ARG HA H 537 3.209 3.209 3.771 -0.562 18462 9444 1 13 . 1 1 537 537 ARG C C 537 179.469 179.469 178.254 1.215 18462 9445 1 13 . 1 1 537 537 ARG CA C 537 59.131 59.131 59.758 -0.626 18462 9446 1 13 . 1 1 537 537 ARG CB C 537 27.179 27.179 29.594 -2.415 18462 9447 1 13 . 1 1 537 537 ARG H H 537 7.016 7.016 7.330 -0.314 18462 9448 1 13 . 1 1 538 538 THR N N 538 120.080 120.080 117.642 2.438 18462 9449 1 13 . 1 1 538 538 THR HA H 538 3.939 3.939 4.124 -0.185 18462 9450 1 13 . 1 1 538 538 THR C C 538 177.538 177.538 176.553 0.985 18462 9451 1 13 . 1 1 538 538 THR CA C 538 66.026 66.026 67.256 -1.230 18462 9452 1 13 . 1 1 538 538 THR CB C 538 66.964 66.964 68.485 -1.521 18462 9453 1 13 . 1 1 538 538 THR H H 538 8.410 8.410 8.104 0.306 18462 9454 1 13 . 1 1 539 539 LYS N N 539 117.252 117.252 120.012 -2.760 18462 9455 1 13 . 1 1 539 539 LYS HA H 539 4.054 4.054 4.061 -0.007 18462 9456 1 13 . 1 1 539 539 LYS C C 539 176.139 176.139 178.956 -2.817 18462 9457 1 13 . 1 1 539 539 LYS CA C 539 57.116 57.116 58.689 -1.573 18462 9458 1 13 . 1 1 539 539 LYS CB C 539 31.859 31.859 31.772 0.087 18462 9459 1 13 . 1 1 539 539 LYS H H 539 8.012 8.012 8.344 -0.332 18462 9460 1 13 . 1 1 540 540 HIS N N 540 118.983 118.983 120.075 -1.092 18462 9461 1 13 . 1 1 540 540 HIS HA H 540 4.548 4.548 4.421 0.127 18462 9462 1 13 . 1 1 540 540 HIS C C 540 179.568 179.568 177.716 1.852 18462 9463 1 13 . 1 1 540 540 HIS CA C 540 58.758 58.758 59.658 -0.900 18462 9464 1 13 . 1 1 540 540 HIS CB C 540 28.260 28.260 30.041 -1.781 18462 9465 1 13 . 1 1 540 540 HIS H H 540 7.536 7.536 7.994 -0.458 18462 9466 1 13 . 1 1 541 541 GLU N N 541 122.073 122.073 119.674 2.399 18462 9467 1 13 . 1 1 541 541 GLU HA H 541 4.215 4.215 4.422 -0.207 18462 9468 1 13 . 1 1 541 541 GLU C C 541 177.829 177.829 179.240 -1.411 18462 9469 1 13 . 1 1 541 541 GLU CA C 541 61.181 61.181 59.298 1.883 18462 9470 1 13 . 1 1 541 541 GLU CB C 541 29.712 29.712 29.786 -0.074 18462 9471 1 13 . 1 1 541 541 GLU H H 541 9.540 9.540 8.406 1.134 18462 9472 1 13 . 1 1 542 542 ILE N N 542 121.307 121.307 120.236 1.071 18462 9473 1 13 . 1 1 542 542 ILE HA H 542 4.335 4.335 3.848 0.487 18462 9474 1 13 . 1 1 542 542 ILE C C 542 179.666 179.666 177.652 2.014 18462 9475 1 13 . 1 1 542 542 ILE CA C 542 61.806 61.806 65.232 -3.426 18462 9476 1 13 . 1 1 542 542 ILE CB C 542 36.729 36.729 38.153 -1.424 18462 9477 1 13 . 1 1 542 542 ILE H H 542 8.275 8.275 8.403 -0.128 18462 9478 1 13 . 1 1 543 543 HIS N N 543 118.514 118.514 117.578 0.936 18462 9479 1 13 . 1 1 543 543 HIS HA H 543 4.257 4.257 4.229 0.028 18462 9480 1 13 . 1 1 543 543 HIS C C 543 178.283 178.283 177.068 1.215 18462 9481 1 13 . 1 1 543 543 HIS CA C 543 58.758 58.758 58.939 -0.181 18462 9482 1 13 . 1 1 543 543 HIS CB C 543 26.882 26.882 30.193 -3.311 18462 9483 1 13 . 1 1 543 543 HIS H H 543 7.744 7.744 7.573 0.171 18462 9484 1 13 . 1 1 544 544 HIS N N 544 115.805 115.805 116.940 -1.135 18462 9485 1 13 . 1 1 544 544 HIS HA H 544 4.317 4.317 4.355 -0.038 18462 9486 1 13 . 1 1 544 544 HIS C C 544 178.058 178.058 177.092 0.966 18462 9487 1 13 . 1 1 544 544 HIS CA C 544 58.054 58.054 58.882 -0.828 18462 9488 1 13 . 1 1 544 544 HIS CB C 544 36.882 36.882 30.145 6.737 18462 9489 1 13 . 1 1 544 544 HIS H H 544 7.537 7.537 7.829 -0.292 18462 9490 1 13 . 1 1 545 545 THR N N 545 109.469 109.469 109.191 0.278 18462 9491 1 13 . 1 1 545 545 THR HA H 545 4.184 4.184 4.143 0.041 18462 9492 1 13 . 1 1 545 545 THR C C 545 177.277 177.277 176.263 1.014 18462 9493 1 13 . 1 1 545 545 THR CA C 545 62.509 62.509 63.258 -0.749 18462 9494 1 13 . 1 1 545 545 THR CB C 545 68.839 68.839 69.739 -0.900 18462 9495 1 13 . 1 1 545 545 THR H H 545 7.991 7.991 8.036 -0.045 18462 9496 1 13 . 1 1 546 546 GLY N N 546 113.407 113.407 110.657 2.750 18462 9497 1 13 . 1 1 546 546 GLY C C 546 177.501 177.501 173.703 3.798 18462 9498 1 13 . 1 1 546 546 GLY CA C 546 44.935 44.935 45.445 -0.510 18462 9499 1 13 . 1 1 546 546 GLY H H 546 8.530 8.530 7.930 0.600 18462 9500 1 13 . 1 1 547 547 GLU N N 547 123.901 123.901 120.409 3.492 18462 9501 1 13 . 1 1 547 547 GLU HA H 547 3.913 3.913 4.063 -0.150 18462 9502 1 13 . 1 1 547 547 GLU C C 547 173.687 173.687 176.369 -2.682 18462 9503 1 13 . 1 1 547 547 GLU CA C 547 56.413 56.413 56.713 -0.300 18462 9504 1 13 . 1 1 547 547 GLU CB C 547 29.123 29.123 30.104 -0.981 18462 9505 1 13 . 1 1 547 547 GLU H H 547 7.301 7.301 7.515 -0.214 18462 9506 1 13 . 1 1 548 548 ARG N N 548 128.505 128.505 125.935 2.570 18462 9507 1 13 . 1 1 548 548 ARG HA H 548 4.444 4.444 4.437 0.007 18462 9508 1 13 . 1 1 548 548 ARG C C 548 175.180 175.180 176.403 -1.223 18462 9509 1 13 . 1 1 548 548 ARG CA C 548 55.059 55.059 55.938 -0.879 18462 9510 1 13 . 1 1 548 548 ARG CB C 548 29.227 29.227 30.221 -0.995 18462 9511 1 13 . 1 1 548 548 ARG H H 548 8.752 8.752 8.477 0.275 18462 9512 1 13 . 1 1 549 549 ARG N N 549 121.815 121.815 119.566 2.249 18462 9513 1 13 . 1 1 549 549 ARG HA H 549 4.205 4.205 4.555 -0.350 18462 9514 1 13 . 1 1 549 549 ARG C C 549 175.850 175.850 176.114 -0.264 18462 9515 1 13 . 1 1 549 549 ARG CA C 549 57.350 57.350 57.095 0.255 18462 9516 1 13 . 1 1 549 549 ARG CB C 549 32.980 32.980 33.171 -0.191 18462 9517 1 13 . 1 1 549 549 ARG H H 549 9.440 9.440 8.822 0.618 18462 9518 1 13 . 1 1 550 550 TYR N N 550 116.087 116.087 119.062 -2.975 18462 9519 1 13 . 1 1 550 550 TYR C C 550 176.129 176.129 174.887 1.242 18462 9520 1 13 . 1 1 550 550 TYR CA C 550 58.169 58.169 57.071 1.098 18462 9521 1 13 . 1 1 550 550 TYR CB C 550 38.994 38.994 38.971 0.023 18462 9522 1 13 . 1 1 550 550 TYR H H 550 8.287 8.287 7.815 0.472 18462 9523 1 13 . 1 1 551 551 GLN N N 551 125.096 125.096 124.435 0.661 18462 9524 1 13 . 1 1 551 551 GLN HA H 551 5.275 5.275 5.217 0.058 18462 9525 1 13 . 1 1 551 551 GLN C C 551 175.080 175.080 174.933 0.147 18462 9526 1 13 . 1 1 551 551 GLN CA C 551 53.610 53.610 54.166 -0.556 18462 9527 1 13 . 1 1 551 551 GLN CB C 551 31.152 31.152 32.479 -1.327 18462 9528 1 13 . 1 1 551 551 GLN H H 551 9.656 9.656 9.381 0.275 18462 9529 1 13 . 1 1 552 552 CYS N N 552 128.697 128.697 126.062 2.635 18462 9530 1 13 . 1 1 552 552 CYS HA H 552 4.584 4.584 4.777 -0.193 18462 9531 1 13 . 1 1 552 552 CYS C C 552 175.231 175.231 175.255 -0.024 18462 9532 1 13 . 1 1 552 552 CYS CA C 552 59.461 59.461 60.127 -0.666 18462 9533 1 13 . 1 1 552 552 CYS CB C 552 29.695 29.695 28.317 1.378 18462 9534 1 13 . 1 1 552 552 CYS H H 552 9.427 9.427 9.326 0.101 18462 9535 1 13 . 1 1 553 553 LEU N N 553 130.168 130.168 126.242 3.926 18462 9536 1 13 . 1 1 553 553 LEU HA H 553 4.396 4.396 4.472 -0.076 18462 9537 1 13 . 1 1 553 553 LEU C C 553 177.402 177.402 178.045 -0.643 18462 9538 1 13 . 1 1 553 553 LEU CA C 553 55.710 55.710 56.155 -0.445 18462 9539 1 13 . 1 1 553 553 LEU CB C 553 40.246 40.246 42.098 -1.852 18462 9540 1 13 . 1 1 553 553 LEU H H 553 8.632 8.632 9.036 -0.404 18462 9541 1 13 . 1 1 554 554 ALA N N 554 125.048 125.048 123.249 1.799 18462 9542 1 13 . 1 1 554 554 ALA HA H 554 4.295 4.295 4.110 0.185 18462 9543 1 13 . 1 1 554 554 ALA C C 554 177.657 177.657 178.119 -0.462 18462 9544 1 13 . 1 1 554 554 ALA CA C 554 53.610 53.610 54.271 -0.661 18462 9545 1 13 . 1 1 554 554 ALA CB C 554 16.577 16.577 18.783 -2.206 18462 9546 1 13 . 1 1 554 554 ALA H H 554 8.847 8.847 8.203 0.644 18462 9547 1 13 . 1 1 555 555 CYS N N 555 113.388 113.388 112.629 0.759 18462 9548 1 13 . 1 1 555 555 CYS HA H 555 5.299 5.299 4.984 0.315 18462 9549 1 13 . 1 1 555 555 CYS C C 555 178.854 178.854 175.829 3.025 18462 9550 1 13 . 1 1 555 555 CYS CA C 555 57.820 57.820 57.252 0.568 18462 9551 1 13 . 1 1 555 555 CYS CB C 555 31.665 31.665 29.485 2.180 18462 9552 1 13 . 1 1 555 555 CYS H H 555 8.146 8.146 7.792 0.354 18462 9553 1 13 . 1 1 556 556 GLY N N 556 114.264 114.264 109.890 4.374 18462 9554 1 13 . 1 1 556 556 GLY C C 556 176.084 176.084 174.673 1.411 18462 9555 1 13 . 1 1 556 556 GLY CA C 556 45.639 45.639 45.546 0.093 18462 9556 1 13 . 1 1 556 556 GLY H H 556 8.104 8.104 8.507 -0.403 18462 9557 1 13 . 1 1 557 557 LYS N N 557 123.318 123.318 121.256 2.062 18462 9558 1 13 . 1 1 557 557 LYS HA H 557 4.110 4.110 4.135 -0.025 18462 9559 1 13 . 1 1 557 557 LYS C C 557 174.300 174.300 175.642 -1.342 18462 9560 1 13 . 1 1 557 557 LYS CA C 557 57.585 57.585 56.631 0.954 18462 9561 1 13 . 1 1 557 557 LYS CB C 557 33.447 33.447 33.102 0.345 18462 9562 1 13 . 1 1 557 557 LYS H H 557 8.043 8.043 7.586 0.457 18462 9563 1 13 . 1 1 558 558 SER N N 558 115.947 115.947 117.204 -1.257 18462 9564 1 13 . 1 1 558 558 SER HA H 558 5.661 5.661 5.075 0.586 18462 9565 1 13 . 1 1 558 558 SER C C 558 174.321 174.321 173.453 0.868 18462 9566 1 13 . 1 1 558 558 SER CA C 558 56.179 56.179 57.334 -1.155 18462 9567 1 13 . 1 1 558 558 SER CB C 558 65.088 65.088 64.975 0.113 18462 9568 1 13 . 1 1 558 558 SER H H 558 7.864 7.864 8.239 -0.375 18462 9569 1 13 . 1 1 559 559 PHE N N 559 117.815 117.815 122.013 -4.198 18462 9570 1 13 . 1 1 559 559 PHE HA H 559 4.781 4.781 4.866 -0.085 18462 9571 1 13 . 1 1 559 559 PHE C C 559 173.632 173.632 175.763 -2.131 18462 9572 1 13 . 1 1 559 559 PHE CA C 559 56.687 56.687 57.049 -0.362 18462 9573 1 13 . 1 1 559 559 PHE CB C 559 44.232 44.232 42.101 2.131 18462 9574 1 13 . 1 1 559 559 PHE H H 559 9.488 9.488 9.160 0.328 18462 9575 1 13 . 1 1 560 560 ILE N N 560 118.092 118.092 119.581 -1.489 18462 9576 1 13 . 1 1 560 560 ILE HA H 560 4.470 4.470 4.051 0.419 18462 9577 1 13 . 1 1 560 560 ILE C C 560 175.986 175.986 174.708 1.278 18462 9578 1 13 . 1 1 560 560 ILE CA C 560 62.040 62.040 62.912 -0.872 18462 9579 1 13 . 1 1 560 560 ILE CB C 560 39.308 39.308 38.532 0.776 18462 9580 1 13 . 1 1 560 560 ILE H H 560 9.306 9.306 8.668 0.638 18462 9581 1 13 . 1 1 561 561 ASN N N 561 114.751 114.751 112.697 2.054 18462 9582 1 13 . 1 1 561 561 ASN HA H 561 4.683 4.683 5.058 -0.375 18462 9583 1 13 . 1 1 561 561 ASN C C 561 175.350 175.350 174.443 0.907 18462 9584 1 13 . 1 1 561 561 ASN CA C 561 50.797 50.797 51.791 -0.994 18462 9585 1 13 . 1 1 561 561 ASN CB C 561 39.777 39.777 39.804 -0.027 18462 9586 1 13 . 1 1 561 561 ASN H H 561 7.387 7.387 7.723 -0.336 18462 9587 1 13 . 1 1 562 562 TYR N N 562 118.833 118.833 120.551 -1.718 18462 9588 1 13 . 1 1 562 562 TYR C C 562 172.730 172.730 177.057 -4.327 18462 9589 1 13 . 1 1 562 562 TYR CA C 562 59.907 59.907 62.053 -2.146 18462 9590 1 13 . 1 1 562 562 TYR CB C 562 38.480 38.480 38.179 0.301 18462 9591 1 13 . 1 1 562 562 TYR H H 562 8.243 8.243 8.628 -0.385 18462 9592 1 13 . 1 1 563 563 GLN N N 563 119.525 119.525 118.434 1.091 18462 9593 1 13 . 1 1 563 563 GLN HA H 563 3.720 3.720 3.964 -0.244 18462 9594 1 13 . 1 1 563 563 GLN C C 563 176.326 176.326 178.337 -2.011 18462 9595 1 13 . 1 1 563 563 GLN CA C 563 61.102 61.102 59.706 1.396 18462 9596 1 13 . 1 1 563 563 GLN CB C 563 25.450 25.450 27.745 -2.295 18462 9597 1 13 . 1 1 563 563 GLN H H 563 8.524 8.524 8.425 0.099 18462 9598 1 13 . 1 1 564 564 PHE N N 564 118.625 118.625 119.377 -0.752 18462 9599 1 13 . 1 1 564 564 PHE HA H 564 4.427 4.427 4.165 0.262 18462 9600 1 13 . 1 1 564 564 PHE C C 564 179.429 179.429 177.538 1.891 18462 9601 1 13 . 1 1 564 564 PHE CA C 564 59.461 59.461 60.384 -0.923 18462 9602 1 13 . 1 1 564 564 PHE CB C 564 38.488 38.488 38.583 -0.095 18462 9603 1 13 . 1 1 564 564 PHE H H 564 8.904 8.904 8.967 -0.063 18462 9604 1 13 . 1 1 565 565 MET N N 565 120.996 120.996 118.751 2.245 18462 9605 1 13 . 1 1 565 565 MET HA H 565 3.720 3.720 3.043 0.677 18462 9606 1 13 . 1 1 565 565 MET C C 565 178.642 178.642 177.620 1.022 18462 9607 1 13 . 1 1 565 565 MET CA C 565 58.037 58.037 57.813 0.223 18462 9608 1 13 . 1 1 565 565 MET H H 565 7.153 7.153 7.790 -0.637 18462 9609 1 13 . 1 1 566 566 SER N N 566 115.706 115.706 115.701 0.005 18462 9610 1 13 . 1 1 566 566 SER HA H 566 3.720 3.720 3.694 0.026 18462 9611 1 13 . 1 1 566 566 SER C C 566 176.710 176.710 176.376 0.334 18462 9612 1 13 . 1 1 566 566 SER CA C 566 60.633 60.633 61.506 -0.873 18462 9613 1 13 . 1 1 566 566 SER CB C 566 62.040 62.040 62.643 -0.603 18462 9614 1 13 . 1 1 566 566 SER H H 566 8.918 8.918 8.200 0.718 18462 9615 1 13 . 1 1 567 567 SER N N 567 114.335 114.335 117.050 -2.715 18462 9616 1 13 . 1 1 567 567 SER HA H 567 4.212 4.212 4.040 0.172 18462 9617 1 13 . 1 1 567 567 SER C C 567 176.849 176.849 176.720 0.129 18462 9618 1 13 . 1 1 567 567 SER CA C 567 60.868 60.868 61.272 -0.404 18462 9619 1 13 . 1 1 567 567 SER CB C 567 61.806 61.806 63.129 -1.323 18462 9620 1 13 . 1 1 567 567 SER H H 567 7.933 7.933 7.725 0.208 18462 9621 1 13 . 1 1 568 568 HIS N N 568 120.659 120.659 122.667 -2.008 18462 9622 1 13 . 1 1 568 568 HIS HA H 568 4.327 4.327 4.300 0.027 18462 9623 1 13 . 1 1 568 568 HIS C C 568 177.652 177.652 177.483 0.169 18462 9624 1 13 . 1 1 568 568 HIS CA C 568 58.992 58.992 59.236 -0.244 18462 9625 1 13 . 1 1 568 568 HIS CB C 568 27.234 27.234 29.291 -2.057 18462 9626 1 13 . 1 1 568 568 HIS H H 568 7.594 7.594 8.151 -0.557 18462 9627 1 13 . 1 1 569 569 ILE N N 569 120.858 120.858 119.457 1.401 18462 9628 1 13 . 1 1 569 569 ILE HA H 569 3.562 3.562 3.529 0.033 18462 9629 1 13 . 1 1 569 569 ILE C C 569 175.925 175.925 178.234 -2.309 18462 9630 1 13 . 1 1 569 569 ILE CA C 569 66.729 66.729 65.056 1.673 18462 9631 1 13 . 1 1 569 569 ILE CB C 569 37.198 37.198 37.687 -0.489 18462 9632 1 13 . 1 1 569 569 ILE H H 569 8.640 8.640 8.045 0.595 18462 9633 1 13 . 1 1 570 570 LYS N N 570 118.876 118.876 120.261 -1.385 18462 9634 1 13 . 1 1 570 570 LYS HA H 570 4.329 4.329 4.220 0.109 18462 9635 1 13 . 1 1 570 570 LYS C C 570 178.927 178.927 179.165 -0.238 18462 9636 1 13 . 1 1 570 570 LYS CA C 570 59.461 59.461 59.498 -0.037 18462 9637 1 13 . 1 1 570 570 LYS CB C 570 32.743 32.743 32.655 0.088 18462 9638 1 13 . 1 1 570 570 LYS H H 570 8.463 8.463 8.034 0.429 18462 9639 1 13 . 1 1 571 571 SER N N 571 112.612 112.612 114.225 -1.613 18462 9640 1 13 . 1 1 571 571 SER HA H 571 4.323 4.323 4.233 0.090 18462 9641 1 13 . 1 1 571 571 SER C C 571 179.258 179.258 176.058 3.200 18462 9642 1 13 . 1 1 571 571 SER CA C 571 59.930 59.930 61.300 -1.369 18462 9643 1 13 . 1 1 571 571 SER CB C 571 62.978 62.978 63.381 -0.403 18462 9644 1 13 . 1 1 571 571 SER H H 571 7.997 7.997 8.082 -0.085 18462 9645 1 13 . 1 1 572 572 VAL N N 572 120.208 120.208 121.003 -0.795 18462 9646 1 13 . 1 1 572 572 VAL HA H 572 3.789 3.789 3.734 0.055 18462 9647 1 13 . 1 1 572 572 VAL C C 572 176.245 176.245 176.857 -0.612 18462 9648 1 13 . 1 1 572 572 VAL CA C 572 63.916 63.916 64.212 -0.296 18462 9649 1 13 . 1 1 572 572 VAL CB C 572 31.337 31.337 32.025 -0.688 18462 9650 1 13 . 1 1 572 572 VAL H H 572 8.615 8.615 7.951 0.664 18462 9651 1 13 . 1 1 573 573 HIS N N 573 113.735 113.735 115.687 -1.952 18462 9652 1 13 . 1 1 573 573 HIS HA H 573 5.102 5.102 4.713 0.389 18462 9653 1 13 . 1 1 573 573 HIS C C 573 177.042 177.042 174.650 2.392 18462 9654 1 13 . 1 1 573 573 HIS CA C 573 53.376 53.376 55.186 -1.810 18462 9655 1 13 . 1 1 573 573 HIS CB C 573 28.210 28.210 30.299 -2.089 18462 9656 1 13 . 1 1 573 573 HIS H H 573 7.067 7.067 7.333 -0.266 18462 9657 1 13 . 1 1 574 574 SER N N 574 112.537 112.537 113.172 -0.635 18462 9658 1 13 . 1 1 574 574 SER HA H 574 4.421 4.421 4.269 0.152 18462 9659 1 13 . 1 1 574 574 SER C C 574 174.525 174.525 173.789 0.736 18462 9660 1 13 . 1 1 574 574 SER CA C 574 58.054 58.054 59.342 -1.288 18462 9661 1 13 . 1 1 574 574 SER CB C 574 61.102 61.102 61.801 -0.699 18462 9662 1 13 . 1 1 574 574 SER H H 574 7.325 7.325 8.017 -0.692 18462 9663 1 13 . 1 1 575 575 GLN N N 575 117.032 117.032 117.577 -0.545 18462 9664 1 13 . 1 1 575 575 GLN HA H 575 4.659 4.659 4.556 0.103 18462 9665 1 13 . 1 1 575 575 GLN C C 575 173.993 173.993 173.526 0.467 18462 9666 1 13 . 1 1 575 575 GLN CA C 575 53.376 53.376 54.085 -0.709 18462 9667 1 13 . 1 1 575 575 GLN CB C 575 32.743 32.743 33.281 -0.537 18462 9668 1 13 . 1 1 575 575 GLN H H 575 7.480 7.480 7.342 0.138 18462 9669 1 13 . 1 1 576 576 ASP N N 576 118.953 118.953 121.219 -2.266 18462 9670 1 13 . 1 1 576 576 ASP HA H 576 4.992 4.992 5.003 -0.011 18462 9671 1 13 . 1 1 576 576 ASP C C 576 173.387 173.387 176.289 -2.902 18462 9672 1 13 . 1 1 576 576 ASP CA C 576 50.094 50.094 49.981 0.113 18462 9673 1 13 . 1 1 576 576 ASP CB C 576 41.301 41.301 41.941 -0.641 18462 9674 1 13 . 1 1 576 576 ASP H H 576 8.173 8.173 8.800 -0.627 18462 9675 1 13 . 1 1 577 577 PRO HA H 577 4.629 4.629 4.474 0.155 18462 9676 1 13 . 1 1 577 577 PRO CA C 577 63.212 63.212 63.834 -0.622 18462 9677 1 13 . 1 1 577 577 PRO CB C 577 31.806 31.806 32.072 -0.266 18462 9678 1 13 . 1 1 578 578 SER N N 578 114.986 114.986 113.542 1.444 18462 9679 1 13 . 1 1 578 578 SER HA H 578 4.820 4.820 4.490 0.330 18462 9680 1 13 . 1 1 578 578 SER C C 578 176.301 176.301 175.725 0.576 18462 9681 1 13 . 1 1 578 578 SER CA C 578 58.054 58.054 59.035 -0.981 18462 9682 1 13 . 1 1 578 578 SER CB C 578 63.447 63.447 63.398 0.049 18462 9683 1 13 . 1 1 578 578 SER H H 578 8.387 8.387 8.369 0.018 18462 9684 1 13 . 1 1 579 579 GLY N N 579 111.279 111.279 110.492 0.787 18462 9685 1 13 . 1 1 579 579 GLY C C 579 175.262 175.262 173.998 1.264 18462 9686 1 13 . 1 1 579 579 GLY CA C 579 44.935 44.935 44.979 -0.044 18462 9687 1 13 . 1 1 579 579 GLY H H 579 8.554 8.554 7.579 0.975 18462 9688 1 13 . 1 1 580 580 ASP N N 580 121.402 121.402 118.257 3.145 18462 9689 1 13 . 1 1 580 580 ASP HA H 580 4.700 4.700 4.750 -0.050 18462 9690 1 13 . 1 1 580 580 ASP C C 580 174.329 174.329 176.264 -1.935 18462 9691 1 13 . 1 1 580 580 ASP CA C 580 53.845 53.845 53.495 0.350 18462 9692 1 13 . 1 1 580 580 ASP CB C 580 40.012 40.012 40.037 -0.025 18462 9693 1 13 . 1 1 580 580 ASP H H 580 8.386 8.386 8.450 -0.064 18462 9694 1 13 . 1 1 581 581 SER N N 581 115.668 115.668 116.534 -0.866 18462 9695 1 13 . 1 1 581 581 SER HA H 581 4.421 4.421 4.464 -0.043 18462 9696 1 13 . 1 1 581 581 SER C C 581 176.108 176.108 174.520 1.588 18462 9697 1 13 . 1 1 581 581 SER CA C 581 58.054 58.054 59.072 -1.018 18462 9698 1 13 . 1 1 581 581 SER CB C 581 63.212 63.212 64.006 -0.794 18462 9699 1 13 . 1 1 581 581 SER H H 581 8.015 8.015 8.325 -0.310 18462 9700 1 13 . 1 1 582 582 LYS N N 582 120.544 120.544 119.565 0.979 18462 9701 1 13 . 1 1 582 582 LYS HA H 582 4.329 4.329 3.993 0.336 18462 9702 1 13 . 1 1 582 582 LYS C C 582 174.302 174.302 175.569 -1.267 18462 9703 1 13 . 1 1 582 582 LYS CA C 582 55.944 55.944 56.733 -0.788 18462 9704 1 13 . 1 1 582 582 LYS CB C 582 30.868 30.868 30.768 0.100 18462 9705 1 13 . 1 1 582 582 LYS H H 582 8.453 8.453 8.357 0.096 18462 9706 1 13 . 1 1 583 583 LEU N N 583 119.514 119.514 118.994 0.520 18462 9707 1 13 . 1 1 583 583 LEU HA H 583 4.458 4.458 4.506 -0.048 18462 9708 1 13 . 1 1 583 583 LEU C C 583 176.924 176.924 175.294 1.630 18462 9709 1 13 . 1 1 583 583 LEU CA C 583 54.303 54.303 54.473 -0.170 18462 9710 1 13 . 1 1 583 583 LEU CB C 583 43.060 43.060 41.821 1.239 18462 9711 1 13 . 1 1 583 583 LEU H H 583 8.391 8.391 8.385 0.006 18462 9712 1 13 . 1 1 584 584 TYR N N 584 115.291 115.291 114.461 0.830 18462 9713 1 13 . 1 1 584 584 TYR HA H 584 5.714 5.714 5.581 0.133 18462 9714 1 13 . 1 1 584 584 TYR C C 584 175.675 175.675 173.686 1.989 18462 9715 1 13 . 1 1 584 584 TYR CA C 584 54.303 54.303 54.984 -0.681 18462 9716 1 13 . 1 1 584 584 TYR CB C 584 42.420 42.420 41.807 0.613 18462 9717 1 13 . 1 1 584 584 TYR H H 584 7.625 7.625 7.126 0.499 18462 9718 1 13 . 1 1 585 585 ARG N N 585 120.321 120.321 120.735 -0.414 18462 9719 1 13 . 1 1 585 585 ARG HA H 585 4.407 4.407 4.647 -0.240 18462 9720 1 13 . 1 1 585 585 ARG C C 585 172.342 172.342 174.037 -1.695 18462 9721 1 13 . 1 1 585 585 ARG CA C 585 53.376 53.376 54.436 -1.060 18462 9722 1 13 . 1 1 585 585 ARG CB C 585 33.916 33.916 34.748 -0.832 18462 9723 1 13 . 1 1 585 585 ARG H H 585 9.141 9.141 8.917 0.224 18462 9724 1 13 . 1 1 586 586 LEU N N 586 129.013 129.013 127.022 1.991 18462 9725 1 13 . 1 1 586 586 LEU HA H 586 4.768 4.768 4.938 -0.170 18462 9726 1 13 . 1 1 586 586 LEU C C 586 173.449 173.449 175.688 -2.239 18462 9727 1 13 . 1 1 586 586 LEU CA C 586 52.438 52.438 53.913 -1.475 18462 9728 1 13 . 1 1 586 586 LEU CB C 586 41.653 41.653 43.515 -1.862 18462 9729 1 13 . 1 1 586 586 LEU H H 586 8.581 8.581 8.664 -0.083 18462 9730 1 13 . 1 1 587 587 HIS N N 587 127.447 127.447 125.793 1.654 18462 9731 1 13 . 1 1 587 587 HIS HA H 587 4.650 4.650 5.112 -0.462 18462 9732 1 13 . 1 1 587 587 HIS C C 587 175.512 175.512 173.725 1.787 18462 9733 1 13 . 1 1 587 587 HIS CA C 587 55.544 55.544 53.689 1.855 18462 9734 1 13 . 1 1 587 587 HIS CB C 587 29.930 29.930 30.983 -1.053 18462 9735 1 13 . 1 1 587 587 HIS H H 587 9.132 9.132 8.902 0.230 18462 9736 1 13 . 1 1 588 588 PRO HA H 588 4.441 4.441 4.565 -0.124 18462 9737 1 13 . 1 1 588 588 PRO CA C 588 62.509 62.509 62.875 -0.366 18462 9738 1 13 . 1 1 588 588 PRO CB C 588 31.688 31.688 32.441 -0.753 18462 9739 1 13 . 1 1 589 589 CYS N N 589 124.057 124.057 121.323 2.734 18462 9740 1 13 . 1 1 589 589 CYS HA H 589 4.275 4.275 4.572 -0.297 18462 9741 1 13 . 1 1 589 589 CYS C C 589 174.401 174.401 175.129 -0.728 18462 9742 1 13 . 1 1 589 589 CYS CA C 589 58.289 58.289 57.599 0.690 18462 9743 1 13 . 1 1 589 589 CYS CB C 589 26.413 26.413 29.643 -3.230 18462 9744 1 13 . 1 1 589 589 CYS H H 589 9.475 9.475 8.834 0.641 18462 9745 1 13 . 1 1 590 590 ARG N N 590 130.942 130.942 127.186 3.756 18462 9746 1 13 . 1 1 590 590 ARG HA H 590 4.689 4.689 4.596 0.093 18462 9747 1 13 . 1 1 590 590 ARG C C 590 175.091 175.091 176.927 -1.836 18462 9748 1 13 . 1 1 590 590 ARG CA C 590 55.241 55.241 56.143 -0.902 18462 9749 1 13 . 1 1 590 590 ARG CB C 590 30.633 30.633 30.843 -0.210 18462 9750 1 13 . 1 1 590 590 ARG H H 590 7.227 7.227 9.295 -2.068 18462 9751 1 13 . 1 1 591 591 SER N N 591 117.243 117.243 116.679 0.564 18462 9752 1 13 . 1 1 591 591 SER HA H 591 4.342 4.342 4.302 0.040 18462 9753 1 13 . 1 1 591 591 SER C C 591 178.367 178.367 174.124 4.243 18462 9754 1 13 . 1 1 591 591 SER CA C 591 59.695 59.695 62.147 -2.452 18462 9755 1 13 . 1 1 591 591 SER CB C 591 61.923 61.923 63.796 -1.873 18462 9756 1 13 . 1 1 591 591 SER H H 591 9.571 9.571 8.907 0.664 18462 9757 1 13 . 1 1 592 592 LEU N N 592 121.308 121.308 115.810 5.498 18462 9758 1 13 . 1 1 592 592 LEU HA H 592 4.778 4.778 4.739 0.039 18462 9759 1 13 . 1 1 592 592 LEU C C 592 173.260 173.260 175.501 -2.241 18462 9760 1 13 . 1 1 592 592 LEU CA C 592 52.846 52.846 53.131 -0.285 18462 9761 1 13 . 1 1 592 592 LEU CB C 592 45.404 45.404 43.656 1.748 18462 9762 1 13 . 1 1 592 592 LEU H H 592 7.369 7.369 7.258 0.111 18462 9763 1 13 . 1 1 593 593 GLN N N 593 122.109 122.109 120.662 1.447 18462 9764 1 13 . 1 1 593 593 GLN HA H 593 4.564 4.564 4.371 0.193 18462 9765 1 13 . 1 1 593 593 GLN C C 593 175.827 175.827 174.934 0.893 18462 9766 1 13 . 1 1 593 593 GLN CA C 593 54.303 54.303 56.014 -1.711 18462 9767 1 13 . 1 1 593 593 GLN CB C 593 26.882 26.882 27.222 -0.340 18462 9768 1 13 . 1 1 593 593 GLN H H 593 8.599 8.599 8.469 0.130 18462 9769 1 13 . 1 1 594 594 ILE N N 594 118.085 118.085 119.786 -1.701 18462 9770 1 13 . 1 1 594 594 ILE HA H 594 4.755 4.755 4.561 0.194 18462 9771 1 13 . 1 1 594 594 ILE C C 594 175.093 175.093 174.612 0.481 18462 9772 1 13 . 1 1 594 594 ILE CA C 594 58.831 58.831 59.536 -0.705 18462 9773 1 13 . 1 1 594 594 ILE CB C 594 42.591 42.591 40.476 2.115 18462 9774 1 13 . 1 1 594 594 ILE H H 594 7.635 7.635 7.889 -0.254 18462 9775 1 13 . 1 1 595 595 ARG N N 595 123.800 123.800 121.328 2.472 18462 9776 1 13 . 1 1 595 595 ARG HA H 595 4.038 4.038 4.333 -0.295 18462 9777 1 13 . 1 1 595 595 ARG C C 595 175.440 175.440 175.581 -0.141 18462 9778 1 13 . 1 1 595 595 ARG CA C 595 56.386 56.386 55.758 0.628 18462 9779 1 13 . 1 1 595 595 ARG CB C 595 30.516 30.516 30.649 -0.133 18462 9780 1 13 . 1 1 595 595 ARG H H 595 9.075 9.075 8.191 0.884 18462 9781 1 13 . 1 1 596 596 GLN N N 596 124.290 124.290 121.716 2.574 18462 9782 1 13 . 1 1 596 596 GLN HA H 596 4.420 4.420 4.330 0.090 18462 9783 1 13 . 1 1 596 596 GLN C C 596 174.630 174.630 174.740 -0.110 18462 9784 1 13 . 1 1 596 596 GLN CA C 596 52.907 52.907 54.464 -1.557 18462 9785 1 13 . 1 1 596 596 GLN CB C 596 30.164 30.164 30.416 -0.252 18462 9786 1 13 . 1 1 596 596 GLN H H 596 8.495 8.495 8.351 0.144 18462 9787 1 13 . 1 1 597 597 TYR N N 597 121.829 121.829 121.782 0.047 18462 9788 1 13 . 1 1 597 597 TYR HA H 597 4.767 4.767 4.175 0.592 18462 9789 1 13 . 1 1 597 597 TYR C C 597 175.453 175.453 176.932 -1.479 18462 9790 1 13 . 1 1 597 597 TYR CA C 597 57.467 57.467 57.818 -0.351 18462 9791 1 13 . 1 1 597 597 TYR CB C 597 38.839 38.839 38.496 0.343 18462 9792 1 13 . 1 1 597 597 TYR H H 597 7.966 7.966 8.338 -0.372 18462 9793 1 13 . 1 1 598 598 ALA N N 598 129.272 129.272 123.378 5.894 18462 9794 1 13 . 1 1 598 598 ALA HA H 598 4.191 4.191 4.075 0.116 18462 9795 1 13 . 1 1 598 598 ALA C C 598 177.425 177.425 177.095 0.330 18462 9796 1 13 . 1 1 598 598 ALA CA C 598 54.040 54.040 54.373 -0.333 18462 9797 1 13 . 1 1 598 598 ALA CB C 598 17.749 17.749 18.399 -0.650 18462 9798 1 13 . 1 1 598 598 ALA H H 598 9.540 9.540 8.797 0.743 18462 9799 1 13 . 1 1 599 599 TYR N N 599 115.845 115.845 111.585 4.260 18462 9800 1 13 . 1 1 599 599 TYR HA H 599 4.560 4.560 4.529 0.031 18462 9801 1 13 . 1 1 599 599 TYR C C 599 173.276 173.276 176.678 -3.402 18462 9802 1 13 . 1 1 599 599 TYR CA C 599 58.172 58.172 58.755 -0.583 18462 9803 1 13 . 1 1 599 599 TYR CB C 599 36.432 36.432 37.879 -1.447 18462 9804 1 13 . 1 1 599 599 TYR H H 599 8.496 8.496 7.649 0.847 18462 9805 1 13 . 1 1 600 600 LEU N N 600 120.764 120.764 121.014 -0.250 18462 9806 1 13 . 1 1 600 600 LEU HA H 600 4.260 4.260 4.335 -0.075 18462 9807 1 13 . 1 1 600 600 LEU C C 600 176.164 176.164 178.273 -2.109 18462 9808 1 13 . 1 1 600 600 LEU CA C 600 54.303 54.303 55.175 -0.872 18462 9809 1 13 . 1 1 600 600 LEU CB C 600 41.419 41.419 41.073 0.346 18462 9810 1 13 . 1 1 600 600 LEU H H 600 7.299 7.299 7.507 -0.208 18462 9811 1 13 . 1 1 601 601 SER N N 601 114.419 114.419 112.601 1.818 18462 9812 1 13 . 1 1 601 601 SER HA H 601 4.418 4.418 4.315 0.103 18462 9813 1 13 . 1 1 601 601 SER C C 601 177.754 177.754 174.413 3.341 18462 9814 1 13 . 1 1 601 601 SER CA C 601 58.054 58.054 59.232 -1.178 18462 9815 1 13 . 1 1 601 601 SER CB C 601 63.212 63.212 63.250 -0.038 18462 9816 1 13 . 1 1 601 601 SER H H 601 7.896 7.896 7.780 0.116 18462 9817 1 13 . 1 1 602 602 ASP N N 602 122.293 122.293 121.864 0.429 18462 9818 1 13 . 1 1 602 602 ASP HA H 602 4.651 4.651 4.497 0.154 18462 9819 1 13 . 1 1 602 602 ASP C C 602 174.087 174.087 176.479 -2.392 18462 9820 1 13 . 1 1 602 602 ASP CA C 602 53.845 53.845 55.125 -1.280 18462 9821 1 13 . 1 1 602 602 ASP CB C 602 40.481 40.481 41.800 -1.319 18462 9822 1 13 . 1 1 602 602 ASP H H 602 8.257 8.257 7.387 0.870 18462 9823 1 13 . 1 1 603 603 ARG N N 603 121.398 121.398 124.454 -3.056 18462 9824 1 13 . 1 1 603 603 ARG HA H 603 4.454 4.454 4.208 0.246 18462 9825 1 13 . 1 1 603 603 ARG C C 603 176.111 176.111 176.342 -0.231 18462 9826 1 13 . 1 1 603 603 ARG CA C 603 55.241 55.241 56.993 -1.752 18462 9827 1 13 . 1 1 603 603 ARG CB C 603 30.164 30.164 29.289 0.875 18462 9828 1 13 . 1 1 603 603 ARG H H 603 8.234 8.234 8.563 -0.329 18462 9829 1 14 . 1 1 473 473 ASN HA H 473 4.815 4.815 4.971 -0.156 18462 9830 1 14 . 1 1 473 473 ASN CA C 473 52.204 52.204 52.381 -0.177 18462 9831 1 14 . 1 1 473 473 ASN CB C 473 38.371 38.371 40.305 -1.934 18462 9832 1 14 . 1 1 474 474 LYS N N 474 122.150 122.150 121.334 0.816 18462 9833 1 14 . 1 1 474 474 LYS HA H 474 4.375 4.375 4.431 -0.056 18462 9834 1 14 . 1 1 474 474 LYS C C 474 174.965 174.965 176.485 -1.520 18462 9835 1 14 . 1 1 474 474 LYS CA C 474 55.944 55.944 55.933 0.011 18462 9836 1 14 . 1 1 474 474 LYS CB C 474 32.405 32.405 33.216 -0.811 18462 9837 1 14 . 1 1 474 474 LYS H H 474 8.586 8.586 8.271 0.315 18462 9838 1 14 . 1 1 475 475 ARG N N 475 122.278 122.278 122.222 0.056 18462 9839 1 14 . 1 1 475 475 ARG HA H 475 4.374 4.374 4.302 0.072 18462 9840 1 14 . 1 1 475 475 ARG C C 475 176.695 176.695 175.568 1.127 18462 9841 1 14 . 1 1 475 475 ARG CA C 475 55.944 55.944 56.078 -0.134 18462 9842 1 14 . 1 1 475 475 ARG CB C 475 30.164 30.164 30.435 -0.271 18462 9843 1 14 . 1 1 475 475 ARG H H 475 8.662 8.662 8.482 0.180 18462 9844 1 14 . 1 1 476 476 MET N N 476 122.046 122.046 123.326 -1.280 18462 9845 1 14 . 1 1 476 476 MET HA H 476 4.496 4.496 4.551 -0.055 18462 9846 1 14 . 1 1 476 476 MET C C 476 176.359 176.359 175.983 0.376 18462 9847 1 14 . 1 1 476 476 MET CA C 476 54.537 54.537 56.238 -1.701 18462 9848 1 14 . 1 1 476 476 MET CB C 476 32.509 32.509 33.006 -0.497 18462 9849 1 14 . 1 1 476 476 MET H H 476 8.490 8.490 8.201 0.289 18462 9850 1 14 . 1 1 477 477 LYS N N 477 123.768 123.768 125.486 -1.718 18462 9851 1 14 . 1 1 477 477 LYS HA H 477 4.384 4.384 4.627 -0.243 18462 9852 1 14 . 1 1 477 477 LYS C C 477 176.015 176.015 174.536 1.479 18462 9853 1 14 . 1 1 477 477 LYS CA C 477 55.834 55.834 56.006 -0.172 18462 9854 1 14 . 1 1 477 477 LYS CB C 477 32.107 32.107 31.133 0.974 18462 9855 1 14 . 1 1 477 477 LYS H H 477 8.472 8.472 8.633 -0.161 18462 9856 1 14 . 1 1 478 478 VAL N N 478 122.460 122.460 117.175 5.285 18462 9857 1 14 . 1 1 478 478 VAL HA H 478 4.054 4.054 4.491 -0.437 18462 9858 1 14 . 1 1 478 478 VAL C C 478 176.320 176.320 174.509 1.811 18462 9859 1 14 . 1 1 478 478 VAL CA C 478 61.337 61.337 59.933 1.404 18462 9860 1 14 . 1 1 478 478 VAL CB C 478 32.275 32.275 34.824 -2.549 18462 9861 1 14 . 1 1 478 478 VAL H H 478 8.230 8.230 7.466 0.764 18462 9862 1 14 . 1 1 479 479 LYS N N 479 126.119 126.119 120.842 5.277 18462 9863 1 14 . 1 1 479 479 LYS HA H 479 4.365 4.365 4.394 -0.029 18462 9864 1 14 . 1 1 479 479 LYS C C 479 175.605 175.605 175.367 0.238 18462 9865 1 14 . 1 1 479 479 LYS CA C 479 55.006 55.006 55.843 -0.837 18462 9866 1 14 . 1 1 479 479 LYS CB C 479 32.098 32.098 33.118 -1.020 18462 9867 1 14 . 1 1 479 479 LYS H H 479 8.453 8.453 8.076 0.377 18462 9868 1 14 . 1 1 480 480 HIS N N 480 121.065 121.065 117.936 3.129 18462 9869 1 14 . 1 1 480 480 HIS HA H 480 4.713 4.713 4.682 0.031 18462 9870 1 14 . 1 1 480 480 HIS C C 480 175.937 175.937 174.740 1.197 18462 9871 1 14 . 1 1 480 480 HIS CA C 480 54.537 54.537 55.120 -0.583 18462 9872 1 14 . 1 1 480 480 HIS CB C 480 30.047 30.047 32.155 -2.108 18462 9873 1 14 . 1 1 480 480 HIS H H 480 8.559 8.559 8.432 0.127 18462 9874 1 14 . 1 1 481 481 ASP HA H 481 4.392 4.392 4.491 -0.099 18462 9875 1 14 . 1 1 481 481 ASP C C 481 174.413 174.413 176.003 -1.590 18462 9876 1 14 . 1 1 481 481 ASP CA C 481 52.907 52.907 54.925 -2.018 18462 9877 1 14 . 1 1 481 481 ASP CB C 481 39.543 39.543 39.218 0.325 18462 9878 1 14 . 1 1 482 482 ASP N N 482 118.362 118.362 119.004 -0.642 18462 9879 1 14 . 1 1 482 482 ASP HA H 482 4.710 4.710 4.542 0.168 18462 9880 1 14 . 1 1 482 482 ASP C C 482 175.104 175.104 175.011 0.093 18462 9881 1 14 . 1 1 482 482 ASP CA C 482 53.376 53.376 54.433 -1.057 18462 9882 1 14 . 1 1 482 482 ASP CB C 482 39.308 39.308 40.738 -1.430 18462 9883 1 14 . 1 1 482 482 ASP H H 482 8.216 8.216 8.273 -0.057 18462 9884 1 14 . 1 1 483 483 HIS N N 483 113.578 113.578 113.288 0.290 18462 9885 1 14 . 1 1 483 483 HIS HA H 483 5.886 5.886 5.169 0.717 18462 9886 1 14 . 1 1 483 483 HIS C C 483 175.274 175.274 172.700 2.574 18462 9887 1 14 . 1 1 483 483 HIS CA C 483 55.241 55.241 55.350 -0.109 18462 9888 1 14 . 1 1 483 483 HIS CB C 483 32.040 32.040 31.177 0.863 18462 9889 1 14 . 1 1 483 483 HIS H H 483 7.692 7.692 7.104 0.589 18462 9890 1 14 . 1 1 484 484 TYR N N 484 116.271 116.271 114.457 1.814 18462 9891 1 14 . 1 1 484 484 TYR HA H 484 5.003 5.003 4.888 0.115 18462 9892 1 14 . 1 1 484 484 TYR C C 484 180.038 180.038 173.523 6.515 18462 9893 1 14 . 1 1 484 484 TYR CA C 484 55.241 55.241 56.365 -1.124 18462 9894 1 14 . 1 1 484 484 TYR CB C 484 39.777 39.777 40.609 -0.832 18462 9895 1 14 . 1 1 484 484 TYR H H 484 8.493 8.493 8.677 -0.184 18462 9896 1 14 . 1 1 485 485 GLU N N 485 120.840 120.840 121.887 -1.047 18462 9897 1 14 . 1 1 485 485 GLU HA H 485 5.301 5.301 4.915 0.386 18462 9898 1 14 . 1 1 485 485 GLU C C 485 174.101 174.101 175.362 -1.261 18462 9899 1 14 . 1 1 485 485 GLU CA C 485 54.772 54.772 55.514 -0.742 18462 9900 1 14 . 1 1 485 485 GLU CB C 485 31.337 31.337 31.576 -0.239 18462 9901 1 14 . 1 1 485 485 GLU H H 485 8.873 8.873 8.734 0.139 18462 9902 1 14 . 1 1 486 486 LEU N N 486 125.807 125.807 127.590 -1.783 18462 9903 1 14 . 1 1 486 486 LEU HA H 486 4.762 4.762 4.843 -0.081 18462 9904 1 14 . 1 1 486 486 LEU C C 486 175.613 175.613 174.925 0.688 18462 9905 1 14 . 1 1 486 486 LEU CA C 486 53.645 53.645 53.899 -0.254 18462 9906 1 14 . 1 1 486 486 LEU CB C 486 45.873 45.873 44.810 1.062 18462 9907 1 14 . 1 1 486 486 LEU H H 486 8.957 8.957 8.921 0.036 18462 9908 1 14 . 1 1 487 487 ILE N N 487 125.332 125.332 127.978 -2.646 18462 9909 1 14 . 1 1 487 487 ILE HA H 487 5.007 5.007 4.522 0.485 18462 9910 1 14 . 1 1 487 487 ILE C C 487 174.543 174.543 175.355 -0.812 18462 9911 1 14 . 1 1 487 487 ILE CA C 487 59.695 59.695 61.109 -1.414 18462 9912 1 14 . 1 1 487 487 ILE CB C 487 37.433 37.433 38.322 -0.889 18462 9913 1 14 . 1 1 487 487 ILE H H 487 8.549 8.549 8.500 0.049 18462 9914 1 14 . 1 1 488 488 VAL N N 488 129.307 129.307 128.158 1.149 18462 9915 1 14 . 1 1 488 488 VAL HA H 488 4.304 4.304 4.174 0.130 18462 9916 1 14 . 1 1 488 488 VAL C C 488 176.678 176.678 175.438 1.240 18462 9917 1 14 . 1 1 488 488 VAL CA C 488 60.868 60.868 60.544 0.324 18462 9918 1 14 . 1 1 488 488 VAL CB C 488 33.681 33.681 34.334 -0.653 18462 9919 1 14 . 1 1 488 488 VAL H H 488 9.456 9.456 8.583 0.873 18462 9920 1 14 . 1 1 489 489 ASP N N 489 128.884 128.884 127.610 1.274 18462 9921 1 14 . 1 1 489 489 ASP HA H 489 4.301 4.301 4.249 0.052 18462 9922 1 14 . 1 1 489 489 ASP C C 489 176.084 176.084 177.218 -1.134 18462 9923 1 14 . 1 1 489 489 ASP CA C 489 54.537 54.537 54.742 -0.205 18462 9924 1 14 . 1 1 489 489 ASP CB C 489 39.074 39.074 40.547 -1.473 18462 9925 1 14 . 1 1 489 489 ASP H H 489 9.144 9.144 9.106 0.038 18462 9926 1 14 . 1 1 490 490 GLY N N 490 102.410 102.410 102.325 0.085 18462 9927 1 14 . 1 1 490 490 GLY C C 490 175.998 175.998 173.983 2.015 18462 9928 1 14 . 1 1 490 490 GLY CA C 490 44.818 44.818 45.450 -0.632 18462 9929 1 14 . 1 1 490 490 GLY H H 490 8.210 8.210 8.325 -0.115 18462 9930 1 14 . 1 1 491 491 ARG N N 491 122.605 122.605 120.861 1.744 18462 9931 1 14 . 1 1 491 491 ARG HA H 491 4.597 4.597 4.566 0.031 18462 9932 1 14 . 1 1 491 491 ARG C C 491 173.256 173.256 174.942 -1.686 18462 9933 1 14 . 1 1 491 491 ARG CA C 491 53.610 53.610 54.517 -0.907 18462 9934 1 14 . 1 1 491 491 ARG CB C 491 32.040 32.040 31.830 0.210 18462 9935 1 14 . 1 1 491 491 ARG H H 491 7.938 7.938 7.780 0.158 18462 9936 1 14 . 1 1 492 492 VAL N N 492 123.769 123.769 124.040 -0.271 18462 9937 1 14 . 1 1 492 492 VAL HA H 492 4.128 4.128 3.785 0.343 18462 9938 1 14 . 1 1 492 492 VAL C C 492 173.470 173.470 174.934 -1.464 18462 9939 1 14 . 1 1 492 492 VAL CA C 492 62.210 62.210 62.700 -0.490 18462 9940 1 14 . 1 1 492 492 VAL CB C 492 32.040 32.040 32.011 0.029 18462 9941 1 14 . 1 1 492 492 VAL H H 492 8.157 8.157 8.598 -0.441 18462 9942 1 14 . 1 1 493 493 TYR N N 493 124.842 124.842 127.191 -2.349 18462 9943 1 14 . 1 1 493 493 TYR HA H 493 4.632 4.632 4.908 -0.276 18462 9944 1 14 . 1 1 493 493 TYR C C 493 174.288 174.288 175.532 -1.244 18462 9945 1 14 . 1 1 493 493 TYR CA C 493 56.308 56.308 53.790 2.518 18462 9946 1 14 . 1 1 493 493 TYR CB C 493 40.481 40.481 38.478 2.003 18462 9947 1 14 . 1 1 493 493 TYR H H 493 8.981 8.981 8.699 0.282 18462 9948 1 14 . 1 1 494 494 TYR N N 494 120.511 120.511 123.682 -3.171 18462 9949 1 14 . 1 1 494 494 TYR HA H 494 4.763 4.763 4.931 -0.168 18462 9950 1 14 . 1 1 494 494 TYR C C 494 173.811 173.811 175.841 -2.030 18462 9951 1 14 . 1 1 494 494 TYR CA C 494 56.764 56.764 58.065 -1.301 18462 9952 1 14 . 1 1 494 494 TYR CB C 494 38.722 38.722 37.881 0.841 18462 9953 1 14 . 1 1 494 494 TYR H H 494 9.235 9.235 8.722 0.513 18462 9954 1 14 . 1 1 495 495 ILE N N 495 124.930 124.930 123.211 1.719 18462 9955 1 14 . 1 1 495 495 ILE HA H 495 4.780 4.780 4.849 -0.069 18462 9956 1 14 . 1 1 495 495 ILE C C 495 174.764 174.764 175.581 -0.817 18462 9957 1 14 . 1 1 495 495 ILE CA C 495 57.714 57.714 59.247 -1.533 18462 9958 1 14 . 1 1 495 495 ILE CB C 495 36.729 36.729 40.500 -3.771 18462 9959 1 14 . 1 1 495 495 ILE H H 495 9.136 9.136 9.126 0.010 18462 9960 1 14 . 1 1 496 496 CYS N N 496 127.535 127.535 127.325 0.210 18462 9961 1 14 . 1 1 496 496 CYS HA H 496 4.745 4.745 4.705 0.040 18462 9962 1 14 . 1 1 496 496 CYS C C 496 176.128 176.128 176.825 -0.697 18462 9963 1 14 . 1 1 496 496 CYS CA C 496 60.574 60.574 59.115 1.458 18462 9964 1 14 . 1 1 496 496 CYS CB C 496 29.227 29.227 28.036 1.191 18462 9965 1 14 . 1 1 496 496 CYS H H 496 9.016 9.016 8.584 0.432 18462 9966 1 14 . 1 1 497 497 ILE N N 497 129.645 129.645 125.880 3.765 18462 9967 1 14 . 1 1 497 497 ILE HA H 497 4.176 4.176 4.198 -0.022 18462 9968 1 14 . 1 1 497 497 ILE C C 497 177.925 177.925 176.499 1.426 18462 9969 1 14 . 1 1 497 497 ILE CA C 497 63.447 63.447 64.184 -0.737 18462 9970 1 14 . 1 1 497 497 ILE CB C 497 39.543 39.543 37.888 1.655 18462 9971 1 14 . 1 1 497 497 ILE H H 497 8.295 8.295 8.325 -0.030 18462 9972 1 14 . 1 1 498 498 VAL N N 498 123.791 123.791 120.261 3.530 18462 9973 1 14 . 1 1 498 498 VAL HA H 498 3.939 3.939 3.823 0.116 18462 9974 1 14 . 1 1 498 498 VAL C C 498 176.127 176.127 177.564 -1.437 18462 9975 1 14 . 1 1 498 498 VAL CA C 498 64.619 64.619 65.426 -0.807 18462 9976 1 14 . 1 1 498 498 VAL CB C 498 32.275 32.275 31.746 0.529 18462 9977 1 14 . 1 1 498 498 VAL H H 498 8.993 8.993 8.132 0.861 18462 9978 1 14 . 1 1 499 499 CYS N N 499 117.267 117.267 112.273 4.994 18462 9979 1 14 . 1 1 499 499 CYS HA H 499 5.157 5.157 4.881 0.276 18462 9980 1 14 . 1 1 499 499 CYS C C 499 177.106 177.106 174.912 2.194 18462 9981 1 14 . 1 1 499 499 CYS CA C 499 57.820 57.820 57.764 0.056 18462 9982 1 14 . 1 1 499 499 CYS CB C 499 31.571 31.571 29.349 2.223 18462 9983 1 14 . 1 1 499 499 CYS H H 499 8.307 8.307 7.952 0.355 18462 9984 1 14 . 1 1 500 500 LYS N N 500 117.950 117.950 118.902 -0.952 18462 9985 1 14 . 1 1 500 500 LYS HA H 500 4.306 4.306 4.065 0.241 18462 9986 1 14 . 1 1 500 500 LYS C C 500 175.869 175.869 175.487 0.382 18462 9987 1 14 . 1 1 500 500 LYS CA C 500 57.585 57.585 57.238 0.347 18462 9988 1 14 . 1 1 500 500 LYS CB C 500 28.289 28.289 29.642 -1.353 18462 9989 1 14 . 1 1 500 500 LYS H H 500 8.169 8.169 8.248 -0.079 18462 9990 1 14 . 1 1 501 501 ARG N N 501 121.270 121.270 119.715 1.555 18462 9991 1 14 . 1 1 501 501 ARG HA H 501 4.090 4.090 4.177 -0.087 18462 9992 1 14 . 1 1 501 501 ARG C C 501 175.587 175.587 175.529 0.058 18462 9993 1 14 . 1 1 501 501 ARG CA C 501 58.289 58.289 55.800 2.489 18462 9994 1 14 . 1 1 501 501 ARG CB C 501 29.694 29.694 31.277 -1.583 18462 9995 1 14 . 1 1 501 501 ARG H H 501 8.071 8.071 7.750 0.322 18462 9996 1 14 . 1 1 502 502 SER N N 502 112.997 112.997 117.685 -4.688 18462 9997 1 14 . 1 1 502 502 SER HA H 502 5.003 5.003 4.662 0.341 18462 9998 1 14 . 1 1 502 502 SER C C 502 174.417 174.417 173.213 1.204 18462 9999 1 14 . 1 1 502 502 SER CA C 502 55.475 55.475 57.217 -1.742 18462 10000 1 14 . 1 1 502 502 SER CB C 502 65.088 65.088 64.343 0.745 18462 10001 1 14 . 1 1 502 502 SER H H 502 7.553 7.553 8.185 -0.632 18462 10002 1 14 . 1 1 503 503 TYR N N 503 121.115 121.115 122.649 -1.534 18462 10003 1 14 . 1 1 503 503 TYR HA H 503 4.996 4.996 4.580 0.416 18462 10004 1 14 . 1 1 503 503 TYR C C 503 173.707 173.707 175.686 -1.979 18462 10005 1 14 . 1 1 503 503 TYR CA C 503 57.585 57.585 57.515 0.070 18462 10006 1 14 . 1 1 503 503 TYR CB C 503 42.244 42.244 41.835 0.409 18462 10007 1 14 . 1 1 503 503 TYR H H 503 8.958 8.958 8.612 0.346 18462 10008 1 14 . 1 1 504 504 VAL N N 504 119.390 119.390 120.243 -0.853 18462 10009 1 14 . 1 1 504 504 VAL HA H 504 4.376 4.376 4.092 0.284 18462 10010 1 14 . 1 1 504 504 VAL C C 504 176.390 176.390 175.915 0.475 18462 10011 1 14 . 1 1 504 504 VAL CA C 504 62.275 62.275 63.880 -1.605 18462 10012 1 14 . 1 1 504 504 VAL CB C 504 33.025 33.025 32.298 0.727 18462 10013 1 14 . 1 1 504 504 VAL H H 504 9.988 9.988 8.638 1.350 18462 10014 1 14 . 1 1 505 505 CYS N N 505 113.800 113.800 115.985 -2.185 18462 10015 1 14 . 1 1 505 505 CYS HA H 505 4.998 4.998 4.784 0.214 18462 10016 1 14 . 1 1 505 505 CYS C C 505 176.603 176.603 175.126 1.477 18462 10017 1 14 . 1 1 505 505 CYS CA C 505 56.647 56.647 57.669 -1.022 18462 10018 1 14 . 1 1 505 505 CYS CB C 505 38.406 38.406 31.466 6.940 18462 10019 1 14 . 1 1 505 505 CYS H H 505 7.518 7.518 7.839 -0.321 18462 10020 1 14 . 1 1 506 506 LEU N N 506 129.535 129.535 124.317 5.218 18462 10021 1 14 . 1 1 506 506 LEU HA H 506 3.325 3.325 3.558 -0.233 18462 10022 1 14 . 1 1 506 506 LEU C C 506 174.727 174.727 177.982 -3.255 18462 10023 1 14 . 1 1 506 506 LEU CA C 506 56.647 56.647 58.102 -1.456 18462 10024 1 14 . 1 1 506 506 LEU CB C 506 39.308 39.308 41.057 -1.749 18462 10025 1 14 . 1 1 506 506 LEU H H 506 8.602 8.602 8.703 -0.101 18462 10026 1 14 . 1 1 507 507 THR N N 507 108.833 108.833 110.917 -2.084 18462 10027 1 14 . 1 1 507 507 THR HA H 507 3.820 3.820 3.879 -0.059 18462 10028 1 14 . 1 1 507 507 THR C C 507 178.905 178.905 176.994 1.911 18462 10029 1 14 . 1 1 507 507 THR CA C 507 64.150 64.150 66.213 -2.063 18462 10030 1 14 . 1 1 507 507 THR CB C 507 66.260 66.260 67.619 -1.359 18462 10031 1 14 . 1 1 507 507 THR H H 507 8.087 8.087 8.255 -0.168 18462 10032 1 14 . 1 1 508 508 SER N N 508 119.009 119.009 118.984 0.025 18462 10033 1 14 . 1 1 508 508 SER HA H 508 4.123 4.123 4.020 0.103 18462 10034 1 14 . 1 1 508 508 SER C C 508 178.467 178.467 176.144 2.323 18462 10035 1 14 . 1 1 508 508 SER CA C 508 59.461 59.461 61.215 -1.754 18462 10036 1 14 . 1 1 508 508 SER CB C 508 62.978 62.978 62.751 0.227 18462 10037 1 14 . 1 1 508 508 SER H H 508 7.230 7.230 7.407 -0.177 18462 10038 1 14 . 1 1 509 509 LEU N N 509 127.365 127.365 123.591 3.774 18462 10039 1 14 . 1 1 509 509 LEU HA H 509 3.216 3.216 3.418 -0.202 18462 10040 1 14 . 1 1 509 509 LEU C C 509 176.740 176.740 177.797 -1.057 18462 10041 1 14 . 1 1 509 509 LEU CA C 509 57.351 57.351 58.002 -0.651 18462 10042 1 14 . 1 1 509 509 LEU CB C 509 39.074 39.074 41.778 -2.704 18462 10043 1 14 . 1 1 509 509 LEU H H 509 7.114 7.114 7.505 -0.391 18462 10044 1 14 . 1 1 510 510 ARG N N 510 119.955 119.955 118.747 1.208 18462 10045 1 14 . 1 1 510 510 ARG HA H 510 3.843 3.843 3.961 -0.118 18462 10046 1 14 . 1 1 510 510 ARG C C 510 178.472 178.472 178.674 -0.202 18462 10047 1 14 . 1 1 510 510 ARG CA C 510 61.766 61.766 57.804 3.962 18462 10048 1 14 . 1 1 510 510 ARG CB C 510 28.992 28.992 28.947 0.045 18462 10049 1 14 . 1 1 510 510 ARG H H 510 8.100 8.100 8.478 -0.378 18462 10050 1 14 . 1 1 511 511 ARG N N 511 120.947 120.947 118.494 2.453 18462 10051 1 14 . 1 1 511 511 ARG HA H 511 4.078 4.078 3.892 0.186 18462 10052 1 14 . 1 1 511 511 ARG C C 511 178.262 178.262 177.791 0.471 18462 10053 1 14 . 1 1 511 511 ARG CA C 511 59.054 59.054 59.158 -0.104 18462 10054 1 14 . 1 1 511 511 ARG CB C 511 29.695 29.695 30.011 -0.316 18462 10055 1 14 . 1 1 511 511 ARG H H 511 7.802 7.802 8.051 -0.249 18462 10056 1 14 . 1 1 512 512 HIS N N 512 116.820 116.820 117.495 -0.675 18462 10057 1 14 . 1 1 512 512 HIS HA H 512 4.219 4.219 4.274 -0.055 18462 10058 1 14 . 1 1 512 512 HIS C C 512 178.069 178.069 177.274 0.795 18462 10059 1 14 . 1 1 512 512 HIS CA C 512 57.507 57.507 58.643 -1.136 18462 10060 1 14 . 1 1 512 512 HIS CB C 512 27.390 27.390 30.087 -2.697 18462 10061 1 14 . 1 1 512 512 HIS H H 512 7.809 7.809 7.826 -0.017 18462 10062 1 14 . 1 1 513 513 PHE N N 513 118.415 118.415 121.286 -2.871 18462 10063 1 14 . 1 1 513 513 PHE HA H 513 3.620 3.620 3.948 -0.328 18462 10064 1 14 . 1 1 513 513 PHE C C 513 176.026 176.026 176.573 -0.547 18462 10065 1 14 . 1 1 513 513 PHE CA C 513 61.102 61.102 61.276 -0.174 18462 10066 1 14 . 1 1 513 513 PHE CB C 513 38.996 38.996 38.971 0.025 18462 10067 1 14 . 1 1 513 513 PHE H H 513 8.898 8.898 8.826 0.072 18462 10068 1 14 . 1 1 514 514 ASN N N 514 114.080 114.080 118.969 -4.889 18462 10069 1 14 . 1 1 514 514 ASN HA H 514 4.988 4.988 4.289 0.699 18462 10070 1 14 . 1 1 514 514 ASN C C 514 176.236 176.236 177.243 -1.007 18462 10071 1 14 . 1 1 514 514 ASN CA C 514 55.006 55.006 55.760 -0.754 18462 10072 1 14 . 1 1 514 514 ASN CB C 514 40.129 40.129 38.536 1.593 18462 10073 1 14 . 1 1 514 514 ASN H H 514 8.678 8.678 7.714 0.964 18462 10074 1 14 . 1 1 515 515 ILE N N 515 114.035 114.035 117.939 -3.904 18462 10075 1 14 . 1 1 515 515 ILE HA H 515 2.997 2.997 3.122 -0.125 18462 10076 1 14 . 1 1 515 515 ILE C C 515 176.292 176.292 175.818 0.474 18462 10077 1 14 . 1 1 515 515 ILE CA C 515 63.447 63.447 63.374 0.073 18462 10078 1 14 . 1 1 515 515 ILE CB C 515 37.198 37.198 37.459 -0.261 18462 10079 1 14 . 1 1 515 515 ILE H H 515 7.919 7.919 7.782 0.137 18462 10080 1 14 . 1 1 516 516 HIS N N 516 113.136 113.136 117.394 -4.258 18462 10081 1 14 . 1 1 516 516 HIS HA H 516 4.767 4.767 4.546 0.221 18462 10082 1 14 . 1 1 516 516 HIS C C 516 175.870 175.870 177.197 -1.327 18462 10083 1 14 . 1 1 516 516 HIS CA C 516 54.542 54.542 58.127 -3.585 18462 10084 1 14 . 1 1 516 516 HIS CB C 516 27.585 27.585 30.208 -2.623 18462 10085 1 14 . 1 1 516 516 HIS H H 516 7.170 7.170 7.465 -0.295 18462 10086 1 14 . 1 1 517 517 SER N N 517 112.852 112.852 114.398 -1.546 18462 10087 1 14 . 1 1 517 517 SER HA H 517 4.359 4.359 4.298 0.061 18462 10088 1 14 . 1 1 517 517 SER C C 517 177.067 177.067 175.698 1.369 18462 10089 1 14 . 1 1 517 517 SER CA C 517 58.758 58.758 60.644 -1.886 18462 10090 1 14 . 1 1 517 517 SER CB C 517 63.447 63.447 63.936 -0.489 18462 10091 1 14 . 1 1 517 517 SER H H 517 7.886 7.886 7.761 0.125 18462 10092 1 14 . 1 1 518 518 TRP N N 518 122.824 122.824 118.759 4.065 18462 10093 1 14 . 1 1 518 518 TRP HA H 518 4.005 4.005 4.404 -0.399 18462 10094 1 14 . 1 1 518 518 TRP C C 518 175.133 175.133 175.744 -0.611 18462 10095 1 14 . 1 1 518 518 TRP CA C 518 57.820 57.820 58.461 -0.641 18462 10096 1 14 . 1 1 518 518 TRP CB C 518 25.710 25.710 26.852 -1.142 18462 10097 1 14 . 1 1 518 518 TRP H H 518 9.274 9.274 7.655 1.619 18462 10098 1 14 . 1 1 519 519 GLU N N 519 119.673 119.673 117.453 2.220 18462 10099 1 14 . 1 1 519 519 GLU HA H 519 4.042 4.042 4.218 -0.176 18462 10100 1 14 . 1 1 519 519 GLU C C 519 175.353 175.353 176.601 -1.248 18462 10101 1 14 . 1 1 519 519 GLU CA C 519 58.758 58.758 58.031 0.727 18462 10102 1 14 . 1 1 519 519 GLU CB C 519 29.695 29.695 30.684 -0.989 18462 10103 1 14 . 1 1 519 519 GLU H H 519 7.828 7.828 7.781 0.047 18462 10104 1 14 . 1 1 520 520 LYS N N 520 118.358 118.358 119.319 -0.961 18462 10105 1 14 . 1 1 520 520 LYS HA H 520 4.544 4.544 4.418 0.126 18462 10106 1 14 . 1 1 520 520 LYS C C 520 178.036 178.036 174.876 3.160 18462 10107 1 14 . 1 1 520 520 LYS CA C 520 53.845 53.845 55.025 -1.180 18462 10108 1 14 . 1 1 520 520 LYS CB C 520 34.385 34.385 33.746 0.639 18462 10109 1 14 . 1 1 520 520 LYS H H 520 9.085 9.085 8.167 0.918 18462 10110 1 14 . 1 1 521 521 LYS N N 521 118.859 118.859 122.690 -3.831 18462 10111 1 14 . 1 1 521 521 LYS HA H 521 4.658 4.658 4.523 0.135 18462 10112 1 14 . 1 1 521 521 LYS C C 521 175.168 175.168 175.944 -0.776 18462 10113 1 14 . 1 1 521 521 LYS CA C 521 54.537 54.537 55.463 -0.926 18462 10114 1 14 . 1 1 521 521 LYS CB C 521 35.323 35.323 34.168 1.155 18462 10115 1 14 . 1 1 521 521 LYS H H 521 8.238 8.238 8.245 -0.007 18462 10116 1 14 . 1 1 522 522 TYR N N 522 117.305 117.305 120.876 -3.571 18462 10117 1 14 . 1 1 522 522 TYR HA H 522 5.028 5.028 4.907 0.121 18462 10118 1 14 . 1 1 522 522 TYR C C 522 175.016 175.016 173.833 1.183 18462 10119 1 14 . 1 1 522 522 TYR CA C 522 54.537 54.537 55.263 -0.726 18462 10120 1 14 . 1 1 522 522 TYR CB C 522 37.198 37.198 38.610 -1.412 18462 10121 1 14 . 1 1 522 522 TYR H H 522 7.788 7.788 8.598 -0.810 18462 10122 1 14 . 1 1 523 523 PRO HA H 523 5.026 5.026 4.812 0.214 18462 10123 1 14 . 1 1 523 523 PRO CA C 523 61.806 61.806 62.642 -0.837 18462 10124 1 14 . 1 1 523 523 PRO CB C 523 31.839 31.839 32.112 -0.273 18462 10125 1 14 . 1 1 524 524 CYS N N 524 126.569 126.569 124.125 2.444 18462 10126 1 14 . 1 1 524 524 CYS HA H 524 4.739 4.739 4.664 0.075 18462 10127 1 14 . 1 1 524 524 CYS C C 524 176.841 176.841 176.196 0.645 18462 10128 1 14 . 1 1 524 524 CYS CA C 524 60.290 60.290 57.821 2.469 18462 10129 1 14 . 1 1 524 524 CYS CB C 524 29.344 29.344 29.370 -0.026 18462 10130 1 14 . 1 1 524 524 CYS H H 524 9.210 9.210 8.673 0.537 18462 10131 1 14 . 1 1 525 525 ARG N N 525 130.294 130.294 125.750 4.544 18462 10132 1 14 . 1 1 525 525 ARG HA H 525 4.285 4.285 4.123 0.162 18462 10133 1 14 . 1 1 525 525 ARG C C 525 176.390 176.390 177.223 -0.833 18462 10134 1 14 . 1 1 525 525 ARG CA C 525 58.043 58.043 58.156 -0.112 18462 10135 1 14 . 1 1 525 525 ARG CB C 525 27.576 27.576 30.036 -2.460 18462 10136 1 14 . 1 1 525 525 ARG H H 525 9.724 9.724 9.460 0.264 18462 10137 1 14 . 1 1 526 526 TYR N N 526 122.622 122.622 118.378 4.244 18462 10138 1 14 . 1 1 526 526 TYR HA H 526 4.517 4.517 4.350 0.167 18462 10139 1 14 . 1 1 526 526 TYR C C 526 176.659 176.659 175.796 0.863 18462 10140 1 14 . 1 1 526 526 TYR CA C 526 58.054 58.054 58.273 -0.219 18462 10141 1 14 . 1 1 526 526 TYR CB C 526 37.628 37.628 38.205 -0.577 18462 10142 1 14 . 1 1 526 526 TYR H H 526 10.439 10.439 8.149 2.290 18462 10143 1 14 . 1 1 527 527 CYS N N 527 122.873 122.873 115.695 7.178 18462 10144 1 14 . 1 1 527 527 CYS HA H 527 5.153 5.153 4.949 0.204 18462 10145 1 14 . 1 1 527 527 CYS C C 527 175.243 175.243 174.118 1.125 18462 10146 1 14 . 1 1 527 527 CYS CA C 527 58.148 58.148 56.156 1.992 18462 10147 1 14 . 1 1 527 527 CYS CB C 527 30.164 30.164 31.600 -1.436 18462 10148 1 14 . 1 1 527 527 CYS H H 527 8.462 8.462 7.626 0.836 18462 10149 1 14 . 1 1 528 528 GLU N N 528 115.906 115.906 118.417 -2.511 18462 10150 1 14 . 1 1 528 528 GLU HA H 528 4.453 4.453 4.155 0.298 18462 10151 1 14 . 1 1 528 528 GLU C C 528 173.484 173.484 176.324 -2.840 18462 10152 1 14 . 1 1 528 528 GLU CA C 528 57.390 57.390 56.444 0.946 18462 10153 1 14 . 1 1 528 528 GLU CB C 528 29.608 29.608 29.040 0.568 18462 10154 1 14 . 1 1 528 528 GLU H H 528 8.704 8.704 8.560 0.144 18462 10155 1 14 . 1 1 529 529 LYS N N 529 125.068 125.068 121.687 3.381 18462 10156 1 14 . 1 1 529 529 LYS HA H 529 4.041 4.041 4.220 -0.179 18462 10157 1 14 . 1 1 529 529 LYS C C 529 176.881 176.881 174.653 2.228 18462 10158 1 14 . 1 1 529 529 LYS CA C 529 57.585 57.585 56.788 0.797 18462 10159 1 14 . 1 1 529 529 LYS CB C 529 33.212 33.212 33.255 -0.043 18462 10160 1 14 . 1 1 529 529 LYS H H 529 8.696 8.696 7.512 1.184 18462 10161 1 14 . 1 1 530 530 VAL N N 530 119.525 119.525 123.797 -4.272 18462 10162 1 14 . 1 1 530 530 VAL HA H 530 4.541 4.541 4.388 0.152 18462 10163 1 14 . 1 1 530 530 VAL C C 530 175.118 175.118 175.463 -0.345 18462 10164 1 14 . 1 1 530 530 VAL CA C 530 60.633 60.633 61.559 -0.926 18462 10165 1 14 . 1 1 530 530 VAL CB C 530 34.150 34.150 34.019 0.131 18462 10166 1 14 . 1 1 530 530 VAL H H 530 8.054 8.054 8.206 -0.152 18462 10167 1 14 . 1 1 531 531 PHE N N 531 122.568 122.568 125.788 -3.220 18462 10168 1 14 . 1 1 531 531 PHE C C 531 174.185 174.185 174.672 -0.487 18462 10169 1 14 . 1 1 531 531 PHE CA C 531 55.586 55.586 55.241 0.345 18462 10170 1 14 . 1 1 531 531 PHE CB C 531 41.184 41.184 40.815 0.369 18462 10171 1 14 . 1 1 531 531 PHE H H 531 8.167 8.167 8.625 -0.458 18462 10172 1 14 . 1 1 532 532 PRO HA H 532 4.359 4.359 4.124 0.235 18462 10173 1 14 . 1 1 532 532 PRO CA C 532 62.216 62.216 63.014 -0.798 18462 10174 1 14 . 1 1 532 532 PRO CB C 532 29.930 29.930 31.817 -1.887 18462 10175 1 14 . 1 1 533 533 LEU N N 533 122.335 122.335 117.637 4.698 18462 10176 1 14 . 1 1 533 533 LEU HA H 533 4.086 4.086 4.247 -0.161 18462 10177 1 14 . 1 1 533 533 LEU C C 533 175.091 175.091 176.632 -1.541 18462 10178 1 14 . 1 1 533 533 LEU CA C 533 55.006 55.006 53.177 1.829 18462 10179 1 14 . 1 1 533 533 LEU CB C 533 43.529 43.529 44.431 -0.902 18462 10180 1 14 . 1 1 533 533 LEU H H 533 6.587 6.587 7.467 -0.880 18462 10181 1 14 . 1 1 534 534 ALA N N 534 126.722 126.722 125.132 1.590 18462 10182 1 14 . 1 1 534 534 ALA HA H 534 2.993 2.993 3.267 -0.274 18462 10183 1 14 . 1 1 534 534 ALA C C 534 175.439 175.439 178.888 -3.449 18462 10184 1 14 . 1 1 534 534 ALA CA C 534 54.537 54.537 54.640 -0.103 18462 10185 1 14 . 1 1 534 534 ALA CB C 534 18.452 18.452 17.483 0.969 18462 10186 1 14 . 1 1 534 534 ALA H H 534 7.698 7.698 8.054 -0.356 18462 10187 1 14 . 1 1 535 535 GLU N N 535 119.354 119.354 118.020 1.334 18462 10188 1 14 . 1 1 535 535 GLU HA H 535 4.675 4.675 3.957 0.718 18462 10189 1 14 . 1 1 535 535 GLU C C 535 180.126 180.126 177.740 2.386 18462 10190 1 14 . 1 1 535 535 GLU CA C 535 58.526 58.526 58.879 -0.353 18462 10191 1 14 . 1 1 535 535 GLU H H 535 9.535 9.535 8.713 0.822 18462 10192 1 14 . 1 1 536 536 TYR N N 536 114.592 114.592 119.136 -4.544 18462 10193 1 14 . 1 1 536 536 TYR HA H 536 4.368 4.368 4.060 0.308 18462 10194 1 14 . 1 1 536 536 TYR C C 536 178.004 178.004 177.754 0.250 18462 10195 1 14 . 1 1 536 536 TYR CA C 536 56.179 56.179 58.525 -2.346 18462 10196 1 14 . 1 1 536 536 TYR CB C 536 35.556 35.556 36.881 -1.325 18462 10197 1 14 . 1 1 536 536 TYR H H 536 6.552 6.552 8.159 -1.607 18462 10198 1 14 . 1 1 537 537 ARG N N 537 119.820 119.820 119.166 0.654 18462 10199 1 14 . 1 1 537 537 ARG HA H 537 3.209 3.209 3.700 -0.491 18462 10200 1 14 . 1 1 537 537 ARG C C 537 179.469 179.469 178.363 1.106 18462 10201 1 14 . 1 1 537 537 ARG CA C 537 59.131 59.131 59.788 -0.657 18462 10202 1 14 . 1 1 537 537 ARG CB C 537 27.179 27.179 29.893 -2.714 18462 10203 1 14 . 1 1 537 537 ARG H H 537 7.016 7.016 7.322 -0.306 18462 10204 1 14 . 1 1 538 538 THR N N 538 120.080 120.080 116.826 3.254 18462 10205 1 14 . 1 1 538 538 THR HA H 538 3.939 3.939 4.092 -0.153 18462 10206 1 14 . 1 1 538 538 THR C C 538 177.538 177.538 176.811 0.727 18462 10207 1 14 . 1 1 538 538 THR CA C 538 66.026 66.026 66.674 -0.648 18462 10208 1 14 . 1 1 538 538 THR CB C 538 66.964 66.964 68.374 -1.411 18462 10209 1 14 . 1 1 538 538 THR H H 538 8.410 8.410 7.984 0.426 18462 10210 1 14 . 1 1 539 539 LYS N N 539 117.252 117.252 120.019 -2.767 18462 10211 1 14 . 1 1 539 539 LYS HA H 539 4.054 4.054 4.047 0.007 18462 10212 1 14 . 1 1 539 539 LYS C C 539 176.139 176.139 179.214 -3.075 18462 10213 1 14 . 1 1 539 539 LYS CA C 539 57.116 57.116 58.985 -1.869 18462 10214 1 14 . 1 1 539 539 LYS CB C 539 31.859 31.859 31.685 0.174 18462 10215 1 14 . 1 1 539 539 LYS H H 539 8.012 8.012 8.413 -0.401 18462 10216 1 14 . 1 1 540 540 HIS N N 540 118.983 118.983 119.811 -0.828 18462 10217 1 14 . 1 1 540 540 HIS HA H 540 4.548 4.548 4.285 0.263 18462 10218 1 14 . 1 1 540 540 HIS C C 540 179.568 179.568 177.552 2.016 18462 10219 1 14 . 1 1 540 540 HIS CA C 540 58.758 58.758 59.794 -1.036 18462 10220 1 14 . 1 1 540 540 HIS CB C 540 28.260 28.260 29.977 -1.717 18462 10221 1 14 . 1 1 540 540 HIS H H 540 7.536 7.536 8.070 -0.534 18462 10222 1 14 . 1 1 541 541 GLU N N 541 122.073 122.073 119.973 2.100 18462 10223 1 14 . 1 1 541 541 GLU HA H 541 4.215 4.215 4.402 -0.187 18462 10224 1 14 . 1 1 541 541 GLU C C 541 177.829 177.829 179.130 -1.301 18462 10225 1 14 . 1 1 541 541 GLU CA C 541 61.181 61.181 59.462 1.719 18462 10226 1 14 . 1 1 541 541 GLU CB C 541 29.712 29.712 29.822 -0.110 18462 10227 1 14 . 1 1 541 541 GLU H H 541 9.540 9.540 8.566 0.975 18462 10228 1 14 . 1 1 542 542 ILE N N 542 121.307 121.307 121.323 -0.016 18462 10229 1 14 . 1 1 542 542 ILE HA H 542 4.335 4.335 3.644 0.691 18462 10230 1 14 . 1 1 542 542 ILE C C 542 179.666 179.666 177.240 2.426 18462 10231 1 14 . 1 1 542 542 ILE CA C 542 61.806 61.806 66.285 -4.479 18462 10232 1 14 . 1 1 542 542 ILE CB C 542 36.729 36.729 37.962 -1.233 18462 10233 1 14 . 1 1 542 542 ILE H H 542 8.275 8.275 8.614 -0.339 18462 10234 1 14 . 1 1 543 543 HIS N N 543 118.514 118.514 119.353 -0.839 18462 10235 1 14 . 1 1 543 543 HIS HA H 543 4.257 4.257 4.175 0.082 18462 10236 1 14 . 1 1 543 543 HIS C C 543 178.283 178.283 177.474 0.809 18462 10237 1 14 . 1 1 543 543 HIS CA C 543 58.758 58.758 59.362 -0.604 18462 10238 1 14 . 1 1 543 543 HIS CB C 543 26.882 26.882 29.554 -2.672 18462 10239 1 14 . 1 1 543 543 HIS H H 543 7.744 7.744 7.750 -0.006 18462 10240 1 14 . 1 1 544 544 HIS N N 544 115.805 115.805 115.818 -0.013 18462 10241 1 14 . 1 1 544 544 HIS HA H 544 4.317 4.317 4.362 -0.045 18462 10242 1 14 . 1 1 544 544 HIS C C 544 178.058 178.058 176.442 1.616 18462 10243 1 14 . 1 1 544 544 HIS CA C 544 58.054 58.054 58.415 -0.361 18462 10244 1 14 . 1 1 544 544 HIS CB C 544 36.882 36.882 29.988 6.894 18462 10245 1 14 . 1 1 544 544 HIS H H 544 7.537 7.537 7.947 -0.410 18462 10246 1 14 . 1 1 545 545 THR N N 545 109.469 109.469 111.635 -2.166 18462 10247 1 14 . 1 1 545 545 THR HA H 545 4.184 4.184 4.215 -0.031 18462 10248 1 14 . 1 1 545 545 THR C C 545 177.277 177.277 175.781 1.496 18462 10249 1 14 . 1 1 545 545 THR CA C 545 62.509 62.509 63.615 -1.107 18462 10250 1 14 . 1 1 545 545 THR CB C 545 68.839 68.839 70.589 -1.750 18462 10251 1 14 . 1 1 545 545 THR H H 545 7.991 7.991 7.492 0.499 18462 10252 1 14 . 1 1 546 546 GLY N N 546 113.407 113.407 109.740 3.667 18462 10253 1 14 . 1 1 546 546 GLY C C 546 177.501 177.501 173.620 3.881 18462 10254 1 14 . 1 1 546 546 GLY CA C 546 44.935 44.935 44.929 0.006 18462 10255 1 14 . 1 1 546 546 GLY H H 546 8.530 8.530 8.322 0.208 18462 10256 1 14 . 1 1 547 547 GLU N N 547 123.901 123.901 121.033 2.868 18462 10257 1 14 . 1 1 547 547 GLU HA H 547 3.913 3.913 4.169 -0.256 18462 10258 1 14 . 1 1 547 547 GLU C C 547 173.687 173.687 176.035 -2.348 18462 10259 1 14 . 1 1 547 547 GLU CA C 547 56.413 56.413 56.721 -0.308 18462 10260 1 14 . 1 1 547 547 GLU CB C 547 29.123 29.123 30.255 -1.132 18462 10261 1 14 . 1 1 547 547 GLU H H 547 7.301 7.301 7.729 -0.428 18462 10262 1 14 . 1 1 548 548 ARG N N 548 128.505 128.505 127.760 0.745 18462 10263 1 14 . 1 1 548 548 ARG HA H 548 4.444 4.444 4.594 -0.150 18462 10264 1 14 . 1 1 548 548 ARG C C 548 175.180 175.180 176.005 -0.825 18462 10265 1 14 . 1 1 548 548 ARG CA C 548 55.059 55.059 54.897 0.162 18462 10266 1 14 . 1 1 548 548 ARG CB C 548 29.227 29.227 28.249 0.978 18462 10267 1 14 . 1 1 548 548 ARG H H 548 8.752 8.752 8.570 0.182 18462 10268 1 14 . 1 1 549 549 ARG N N 549 121.815 121.815 119.422 2.393 18462 10269 1 14 . 1 1 549 549 ARG HA H 549 4.205 4.205 4.278 -0.073 18462 10270 1 14 . 1 1 549 549 ARG C C 549 175.850 175.850 176.798 -0.948 18462 10271 1 14 . 1 1 549 549 ARG CA C 549 57.350 57.350 58.577 -1.226 18462 10272 1 14 . 1 1 549 549 ARG CB C 549 32.980 32.980 31.081 1.899 18462 10273 1 14 . 1 1 549 549 ARG H H 549 9.440 9.440 7.942 1.498 18462 10274 1 14 . 1 1 550 550 TYR N N 550 116.087 116.087 119.723 -3.636 18462 10275 1 14 . 1 1 550 550 TYR C C 550 176.129 176.129 174.946 1.183 18462 10276 1 14 . 1 1 550 550 TYR CA C 550 58.169 58.169 57.880 0.289 18462 10277 1 14 . 1 1 550 550 TYR CB C 550 38.994 38.994 36.939 2.055 18462 10278 1 14 . 1 1 550 550 TYR H H 550 8.287 8.287 8.208 0.079 18462 10279 1 14 . 1 1 551 551 GLN N N 551 125.096 125.096 124.762 0.334 18462 10280 1 14 . 1 1 551 551 GLN HA H 551 5.275 5.275 5.012 0.263 18462 10281 1 14 . 1 1 551 551 GLN C C 551 175.080 175.080 174.861 0.219 18462 10282 1 14 . 1 1 551 551 GLN CA C 551 53.610 53.610 54.727 -1.117 18462 10283 1 14 . 1 1 551 551 GLN CB C 551 31.152 31.152 31.770 -0.618 18462 10284 1 14 . 1 1 551 551 GLN H H 551 9.656 9.656 9.214 0.442 18462 10285 1 14 . 1 1 552 552 CYS N N 552 128.697 128.697 125.720 2.977 18462 10286 1 14 . 1 1 552 552 CYS HA H 552 4.584 4.584 4.882 -0.298 18462 10287 1 14 . 1 1 552 552 CYS C C 552 175.231 175.231 175.492 -0.261 18462 10288 1 14 . 1 1 552 552 CYS CA C 552 59.461 59.461 59.874 -0.413 18462 10289 1 14 . 1 1 552 552 CYS CB C 552 29.695 29.695 28.422 1.273 18462 10290 1 14 . 1 1 552 552 CYS H H 552 9.427 9.427 9.251 0.176 18462 10291 1 14 . 1 1 553 553 LEU N N 553 130.168 130.168 125.388 4.780 18462 10292 1 14 . 1 1 553 553 LEU HA H 553 4.396 4.396 4.510 -0.114 18462 10293 1 14 . 1 1 553 553 LEU C C 553 177.402 177.402 177.991 -0.589 18462 10294 1 14 . 1 1 553 553 LEU CA C 553 55.710 55.710 56.240 -0.530 18462 10295 1 14 . 1 1 553 553 LEU CB C 553 40.246 40.246 42.266 -2.020 18462 10296 1 14 . 1 1 553 553 LEU H H 553 8.632 8.632 9.052 -0.420 18462 10297 1 14 . 1 1 554 554 ALA N N 554 125.048 125.048 122.885 2.163 18462 10298 1 14 . 1 1 554 554 ALA HA H 554 4.295 4.295 4.016 0.279 18462 10299 1 14 . 1 1 554 554 ALA C C 554 177.657 177.657 178.400 -0.743 18462 10300 1 14 . 1 1 554 554 ALA CA C 554 53.610 53.610 54.385 -0.775 18462 10301 1 14 . 1 1 554 554 ALA CB C 554 16.577 16.577 18.791 -2.215 18462 10302 1 14 . 1 1 554 554 ALA H H 554 8.847 8.847 8.309 0.538 18462 10303 1 14 . 1 1 555 555 CYS N N 555 113.388 113.388 112.657 0.731 18462 10304 1 14 . 1 1 555 555 CYS HA H 555 5.299 5.299 5.008 0.291 18462 10305 1 14 . 1 1 555 555 CYS C C 555 178.854 178.854 175.901 2.953 18462 10306 1 14 . 1 1 555 555 CYS CA C 555 57.820 57.820 57.271 0.549 18462 10307 1 14 . 1 1 555 555 CYS CB C 555 31.665 31.665 29.385 2.280 18462 10308 1 14 . 1 1 555 555 CYS H H 555 8.146 8.146 7.861 0.285 18462 10309 1 14 . 1 1 556 556 GLY N N 556 114.264 114.264 110.113 4.151 18462 10310 1 14 . 1 1 556 556 GLY C C 556 176.084 176.084 174.907 1.177 18462 10311 1 14 . 1 1 556 556 GLY CA C 556 45.639 45.639 45.536 0.103 18462 10312 1 14 . 1 1 556 556 GLY H H 556 8.104 8.104 8.479 -0.375 18462 10313 1 14 . 1 1 557 557 LYS N N 557 123.318 123.318 121.807 1.511 18462 10314 1 14 . 1 1 557 557 LYS HA H 557 4.110 4.110 4.155 -0.045 18462 10315 1 14 . 1 1 557 557 LYS C C 557 174.300 174.300 175.867 -1.567 18462 10316 1 14 . 1 1 557 557 LYS CA C 557 57.585 57.585 56.687 0.898 18462 10317 1 14 . 1 1 557 557 LYS CB C 557 33.447 33.447 33.201 0.246 18462 10318 1 14 . 1 1 557 557 LYS H H 557 8.043 8.043 7.440 0.603 18462 10319 1 14 . 1 1 558 558 SER N N 558 115.947 115.947 117.169 -1.222 18462 10320 1 14 . 1 1 558 558 SER HA H 558 5.661 5.661 4.969 0.692 18462 10321 1 14 . 1 1 558 558 SER C C 558 174.321 174.321 173.225 1.096 18462 10322 1 14 . 1 1 558 558 SER CA C 558 56.179 56.179 57.179 -1.000 18462 10323 1 14 . 1 1 558 558 SER CB C 558 65.088 65.088 65.132 -0.044 18462 10324 1 14 . 1 1 558 558 SER H H 558 7.864 7.864 8.155 -0.291 18462 10325 1 14 . 1 1 559 559 PHE N N 559 117.815 117.815 120.779 -2.964 18462 10326 1 14 . 1 1 559 559 PHE HA H 559 4.781 4.781 4.843 -0.062 18462 10327 1 14 . 1 1 559 559 PHE C C 559 173.632 173.632 175.573 -1.941 18462 10328 1 14 . 1 1 559 559 PHE CA C 559 56.687 56.687 57.057 -0.370 18462 10329 1 14 . 1 1 559 559 PHE CB C 559 44.232 44.232 42.200 2.032 18462 10330 1 14 . 1 1 559 559 PHE H H 559 9.488 9.488 9.030 0.458 18462 10331 1 14 . 1 1 560 560 ILE N N 560 118.092 118.092 119.048 -0.956 18462 10332 1 14 . 1 1 560 560 ILE HA H 560 4.470 4.470 4.275 0.195 18462 10333 1 14 . 1 1 560 560 ILE C C 560 175.986 175.986 174.515 1.471 18462 10334 1 14 . 1 1 560 560 ILE CA C 560 62.040 62.040 62.598 -0.558 18462 10335 1 14 . 1 1 560 560 ILE CB C 560 39.308 39.308 38.465 0.842 18462 10336 1 14 . 1 1 560 560 ILE H H 560 9.306 9.306 8.587 0.719 18462 10337 1 14 . 1 1 561 561 ASN N N 561 114.751 114.751 112.556 2.195 18462 10338 1 14 . 1 1 561 561 ASN HA H 561 4.683 4.683 4.364 0.319 18462 10339 1 14 . 1 1 561 561 ASN C C 561 175.350 175.350 174.060 1.290 18462 10340 1 14 . 1 1 561 561 ASN CA C 561 50.797 50.797 51.288 -0.491 18462 10341 1 14 . 1 1 561 561 ASN CB C 561 39.777 39.777 39.529 0.249 18462 10342 1 14 . 1 1 561 561 ASN H H 561 7.387 7.387 7.367 0.020 18462 10343 1 14 . 1 1 562 562 TYR N N 562 118.833 118.833 120.447 -1.614 18462 10344 1 14 . 1 1 562 562 TYR C C 562 172.730 172.730 176.985 -4.255 18462 10345 1 14 . 1 1 562 562 TYR CA C 562 59.907 59.907 62.350 -2.443 18462 10346 1 14 . 1 1 562 562 TYR CB C 562 38.480 38.480 38.379 0.101 18462 10347 1 14 . 1 1 562 562 TYR H H 562 8.243 8.243 8.358 -0.115 18462 10348 1 14 . 1 1 563 563 GLN N N 563 119.525 119.525 117.869 1.656 18462 10349 1 14 . 1 1 563 563 GLN HA H 563 3.720 3.720 4.015 -0.295 18462 10350 1 14 . 1 1 563 563 GLN C C 563 176.326 176.326 178.498 -2.172 18462 10351 1 14 . 1 1 563 563 GLN CA C 563 61.102 61.102 59.797 1.305 18462 10352 1 14 . 1 1 563 563 GLN CB C 563 25.450 25.450 27.930 -2.480 18462 10353 1 14 . 1 1 563 563 GLN H H 563 8.524 8.524 8.388 0.136 18462 10354 1 14 . 1 1 564 564 PHE N N 564 118.625 118.625 119.330 -0.705 18462 10355 1 14 . 1 1 564 564 PHE HA H 564 4.427 4.427 4.220 0.207 18462 10356 1 14 . 1 1 564 564 PHE C C 564 179.429 179.429 177.611 1.818 18462 10357 1 14 . 1 1 564 564 PHE CA C 564 59.461 59.461 58.743 0.718 18462 10358 1 14 . 1 1 564 564 PHE CB C 564 38.488 38.488 38.430 0.058 18462 10359 1 14 . 1 1 564 564 PHE H H 564 8.904 8.904 8.828 0.076 18462 10360 1 14 . 1 1 565 565 MET N N 565 120.996 120.996 118.788 2.208 18462 10361 1 14 . 1 1 565 565 MET HA H 565 3.720 3.720 3.230 0.490 18462 10362 1 14 . 1 1 565 565 MET C C 565 178.642 178.642 177.613 1.029 18462 10363 1 14 . 1 1 565 565 MET CA C 565 58.037 58.037 58.285 -0.249 18462 10364 1 14 . 1 1 565 565 MET H H 565 7.153 7.153 8.076 -0.923 18462 10365 1 14 . 1 1 566 566 SER N N 566 115.706 115.706 115.460 0.246 18462 10366 1 14 . 1 1 566 566 SER HA H 566 3.720 3.720 3.748 -0.028 18462 10367 1 14 . 1 1 566 566 SER C C 566 176.710 176.710 176.340 0.370 18462 10368 1 14 . 1 1 566 566 SER CA C 566 60.633 60.633 61.378 -0.745 18462 10369 1 14 . 1 1 566 566 SER CB C 566 62.040 62.040 62.377 -0.337 18462 10370 1 14 . 1 1 566 566 SER H H 566 8.918 8.918 8.161 0.757 18462 10371 1 14 . 1 1 567 567 SER N N 567 114.335 114.335 117.236 -2.901 18462 10372 1 14 . 1 1 567 567 SER HA H 567 4.212 4.212 4.013 0.199 18462 10373 1 14 . 1 1 567 567 SER C C 567 176.849 176.849 176.681 0.168 18462 10374 1 14 . 1 1 567 567 SER CA C 567 60.868 60.868 61.276 -0.409 18462 10375 1 14 . 1 1 567 567 SER CB C 567 61.806 61.806 63.072 -1.266 18462 10376 1 14 . 1 1 567 567 SER H H 567 7.933 7.933 7.761 0.172 18462 10377 1 14 . 1 1 568 568 HIS N N 568 120.659 120.659 122.572 -1.913 18462 10378 1 14 . 1 1 568 568 HIS HA H 568 4.327 4.327 4.273 0.054 18462 10379 1 14 . 1 1 568 568 HIS C C 568 177.652 177.652 177.466 0.186 18462 10380 1 14 . 1 1 568 568 HIS CA C 568 58.992 58.992 59.228 -0.236 18462 10381 1 14 . 1 1 568 568 HIS CB C 568 27.234 27.234 29.259 -2.025 18462 10382 1 14 . 1 1 568 568 HIS H H 568 7.594 7.594 8.077 -0.483 18462 10383 1 14 . 1 1 569 569 ILE N N 569 120.858 120.858 120.005 0.853 18462 10384 1 14 . 1 1 569 569 ILE HA H 569 3.562 3.562 3.533 0.029 18462 10385 1 14 . 1 1 569 569 ILE C C 569 175.925 175.925 178.417 -2.492 18462 10386 1 14 . 1 1 569 569 ILE CA C 569 66.729 66.729 65.241 1.488 18462 10387 1 14 . 1 1 569 569 ILE CB C 569 37.198 37.198 37.828 -0.630 18462 10388 1 14 . 1 1 569 569 ILE H H 569 8.640 8.640 8.272 0.368 18462 10389 1 14 . 1 1 570 570 LYS N N 570 118.876 118.876 119.501 -0.625 18462 10390 1 14 . 1 1 570 570 LYS HA H 570 4.329 4.329 4.153 0.176 18462 10391 1 14 . 1 1 570 570 LYS C C 570 178.927 178.927 179.225 -0.298 18462 10392 1 14 . 1 1 570 570 LYS CA C 570 59.461 59.461 59.508 -0.047 18462 10393 1 14 . 1 1 570 570 LYS CB C 570 32.743 32.743 32.638 0.105 18462 10394 1 14 . 1 1 570 570 LYS H H 570 8.463 8.463 8.302 0.161 18462 10395 1 14 . 1 1 571 571 SER N N 571 112.612 112.612 114.463 -1.851 18462 10396 1 14 . 1 1 571 571 SER HA H 571 4.323 4.323 4.245 0.078 18462 10397 1 14 . 1 1 571 571 SER C C 571 179.258 179.258 175.716 3.542 18462 10398 1 14 . 1 1 571 571 SER CA C 571 59.930 59.930 61.217 -1.287 18462 10399 1 14 . 1 1 571 571 SER CB C 571 62.978 62.978 63.584 -0.606 18462 10400 1 14 . 1 1 571 571 SER H H 571 7.997 7.997 7.986 0.011 18462 10401 1 14 . 1 1 572 572 VAL N N 572 120.208 120.208 121.437 -1.229 18462 10402 1 14 . 1 1 572 572 VAL HA H 572 3.789 3.789 3.829 -0.040 18462 10403 1 14 . 1 1 572 572 VAL C C 572 176.245 176.245 177.000 -0.755 18462 10404 1 14 . 1 1 572 572 VAL CA C 572 63.916 63.916 64.454 -0.538 18462 10405 1 14 . 1 1 572 572 VAL CB C 572 31.337 31.337 31.984 -0.647 18462 10406 1 14 . 1 1 572 572 VAL H H 572 8.615 8.615 8.185 0.430 18462 10407 1 14 . 1 1 573 573 HIS N N 573 113.735 113.735 116.309 -2.574 18462 10408 1 14 . 1 1 573 573 HIS HA H 573 5.102 5.102 4.701 0.401 18462 10409 1 14 . 1 1 573 573 HIS C C 573 177.042 177.042 175.280 1.762 18462 10410 1 14 . 1 1 573 573 HIS CA C 573 53.376 53.376 55.568 -2.192 18462 10411 1 14 . 1 1 573 573 HIS CB C 573 28.210 28.210 30.723 -2.513 18462 10412 1 14 . 1 1 573 573 HIS H H 573 7.067 7.067 7.528 -0.461 18462 10413 1 14 . 1 1 574 574 SER N N 574 112.537 112.537 112.564 -0.027 18462 10414 1 14 . 1 1 574 574 SER HA H 574 4.421 4.421 4.241 0.180 18462 10415 1 14 . 1 1 574 574 SER C C 574 174.525 174.525 174.025 0.500 18462 10416 1 14 . 1 1 574 574 SER CA C 574 58.054 58.054 59.510 -1.456 18462 10417 1 14 . 1 1 574 574 SER CB C 574 61.102 61.102 61.083 0.019 18462 10418 1 14 . 1 1 574 574 SER H H 574 7.325 7.325 7.995 -0.670 18462 10419 1 14 . 1 1 575 575 GLN N N 575 117.032 117.032 118.107 -1.075 18462 10420 1 14 . 1 1 575 575 GLN HA H 575 4.659 4.659 4.510 0.149 18462 10421 1 14 . 1 1 575 575 GLN C C 575 173.993 173.993 173.550 0.443 18462 10422 1 14 . 1 1 575 575 GLN CA C 575 53.376 53.376 54.004 -0.628 18462 10423 1 14 . 1 1 575 575 GLN CB C 575 32.743 32.743 33.308 -0.565 18462 10424 1 14 . 1 1 575 575 GLN H H 575 7.480 7.480 7.125 0.355 18462 10425 1 14 . 1 1 576 576 ASP N N 576 118.953 118.953 121.071 -2.118 18462 10426 1 14 . 1 1 576 576 ASP HA H 576 4.992 4.992 4.972 0.020 18462 10427 1 14 . 1 1 576 576 ASP C C 576 173.387 173.387 176.160 -2.773 18462 10428 1 14 . 1 1 576 576 ASP CA C 576 50.094 50.094 50.225 -0.131 18462 10429 1 14 . 1 1 576 576 ASP CB C 576 41.301 41.301 41.681 -0.380 18462 10430 1 14 . 1 1 576 576 ASP H H 576 8.173 8.173 8.657 -0.484 18462 10431 1 14 . 1 1 577 577 PRO HA H 577 4.629 4.629 4.398 0.231 18462 10432 1 14 . 1 1 577 577 PRO CA C 577 63.212 63.212 64.756 -1.544 18462 10433 1 14 . 1 1 577 577 PRO CB C 577 31.806 31.806 32.015 -0.209 18462 10434 1 14 . 1 1 578 578 SER N N 578 114.986 114.986 112.070 2.916 18462 10435 1 14 . 1 1 578 578 SER HA H 578 4.820 4.820 4.564 0.256 18462 10436 1 14 . 1 1 578 578 SER C C 578 176.301 176.301 175.442 0.859 18462 10437 1 14 . 1 1 578 578 SER CA C 578 58.054 58.054 58.198 -0.144 18462 10438 1 14 . 1 1 578 578 SER CB C 578 63.447 63.447 63.384 0.063 18462 10439 1 14 . 1 1 578 578 SER H H 578 8.387 8.387 8.422 -0.035 18462 10440 1 14 . 1 1 579 579 GLY N N 579 111.279 111.279 110.084 1.195 18462 10441 1 14 . 1 1 579 579 GLY C C 579 175.262 175.262 173.645 1.617 18462 10442 1 14 . 1 1 579 579 GLY CA C 579 44.935 44.935 44.571 0.365 18462 10443 1 14 . 1 1 579 579 GLY H H 579 8.554 8.554 7.607 0.947 18462 10444 1 14 . 1 1 580 580 ASP N N 580 121.402 121.402 118.937 2.465 18462 10445 1 14 . 1 1 580 580 ASP HA H 580 4.700 4.700 4.742 -0.042 18462 10446 1 14 . 1 1 580 580 ASP C C 580 174.329 174.329 176.411 -2.082 18462 10447 1 14 . 1 1 580 580 ASP CA C 580 53.845 53.845 53.943 -0.098 18462 10448 1 14 . 1 1 580 580 ASP CB C 580 40.012 40.012 40.198 -0.186 18462 10449 1 14 . 1 1 580 580 ASP H H 580 8.386 8.386 8.581 -0.195 18462 10450 1 14 . 1 1 581 581 SER N N 581 115.668 115.668 115.604 0.064 18462 10451 1 14 . 1 1 581 581 SER HA H 581 4.421 4.421 4.487 -0.066 18462 10452 1 14 . 1 1 581 581 SER C C 581 176.108 176.108 173.544 2.564 18462 10453 1 14 . 1 1 581 581 SER CA C 581 58.054 58.054 58.389 -0.335 18462 10454 1 14 . 1 1 581 581 SER CB C 581 63.212 63.212 63.749 -0.537 18462 10455 1 14 . 1 1 581 581 SER H H 581 8.015 8.015 8.330 -0.315 18462 10456 1 14 . 1 1 582 582 LYS N N 582 120.544 120.544 119.821 0.723 18462 10457 1 14 . 1 1 582 582 LYS HA H 582 4.329 4.329 3.968 0.361 18462 10458 1 14 . 1 1 582 582 LYS C C 582 174.302 174.302 175.145 -0.843 18462 10459 1 14 . 1 1 582 582 LYS CA C 582 55.944 55.944 56.741 -0.797 18462 10460 1 14 . 1 1 582 582 LYS CB C 582 30.868 30.868 30.818 0.050 18462 10461 1 14 . 1 1 582 582 LYS H H 582 8.453 8.453 8.205 0.248 18462 10462 1 14 . 1 1 583 583 LEU N N 583 119.514 119.514 118.515 0.999 18462 10463 1 14 . 1 1 583 583 LEU HA H 583 4.458 4.458 4.564 -0.106 18462 10464 1 14 . 1 1 583 583 LEU C C 583 176.924 176.924 176.048 0.876 18462 10465 1 14 . 1 1 583 583 LEU CA C 583 54.303 54.303 54.920 -0.617 18462 10466 1 14 . 1 1 583 583 LEU CB C 583 43.060 43.060 44.004 -0.944 18462 10467 1 14 . 1 1 583 583 LEU H H 583 8.391 8.391 8.390 0.001 18462 10468 1 14 . 1 1 584 584 TYR N N 584 115.291 115.291 115.025 0.266 18462 10469 1 14 . 1 1 584 584 TYR HA H 584 5.714 5.714 5.571 0.143 18462 10470 1 14 . 1 1 584 584 TYR C C 584 175.675 175.675 173.454 2.221 18462 10471 1 14 . 1 1 584 584 TYR CA C 584 54.303 54.303 55.587 -1.284 18462 10472 1 14 . 1 1 584 584 TYR CB C 584 42.420 42.420 41.928 0.492 18462 10473 1 14 . 1 1 584 584 TYR H H 584 7.625 7.625 7.359 0.266 18462 10474 1 14 . 1 1 585 585 ARG N N 585 120.321 120.321 122.372 -2.051 18462 10475 1 14 . 1 1 585 585 ARG HA H 585 4.407 4.407 4.547 -0.140 18462 10476 1 14 . 1 1 585 585 ARG C C 585 172.342 172.342 173.684 -1.342 18462 10477 1 14 . 1 1 585 585 ARG CA C 585 53.376 53.376 55.043 -1.667 18462 10478 1 14 . 1 1 585 585 ARG CB C 585 33.916 33.916 34.809 -0.893 18462 10479 1 14 . 1 1 585 585 ARG H H 585 9.141 9.141 9.046 0.095 18462 10480 1 14 . 1 1 586 586 LEU N N 586 129.013 129.013 129.096 -0.083 18462 10481 1 14 . 1 1 586 586 LEU HA H 586 4.768 4.768 4.865 -0.097 18462 10482 1 14 . 1 1 586 586 LEU C C 586 173.449 173.449 175.240 -1.791 18462 10483 1 14 . 1 1 586 586 LEU CA C 586 52.438 52.438 53.447 -1.009 18462 10484 1 14 . 1 1 586 586 LEU CB C 586 41.653 41.653 43.020 -1.367 18462 10485 1 14 . 1 1 586 586 LEU H H 586 8.581 8.581 8.604 -0.023 18462 10486 1 14 . 1 1 587 587 HIS N N 587 127.447 127.447 126.635 0.812 18462 10487 1 14 . 1 1 587 587 HIS HA H 587 4.650 4.650 4.890 -0.240 18462 10488 1 14 . 1 1 587 587 HIS C C 587 175.512 175.512 173.510 2.002 18462 10489 1 14 . 1 1 587 587 HIS CA C 587 55.544 55.544 55.053 0.491 18462 10490 1 14 . 1 1 587 587 HIS CB C 587 29.930 29.930 30.278 -0.348 18462 10491 1 14 . 1 1 587 587 HIS H H 587 9.132 9.132 8.622 0.510 18462 10492 1 14 . 1 1 588 588 PRO HA H 588 4.441 4.441 4.247 0.194 18462 10493 1 14 . 1 1 588 588 PRO CA C 588 62.509 62.509 63.834 -1.325 18462 10494 1 14 . 1 1 588 588 PRO CB C 588 31.688 31.688 32.203 -0.515 18462 10495 1 14 . 1 1 589 589 CYS N N 589 124.057 124.057 122.783 1.274 18462 10496 1 14 . 1 1 589 589 CYS HA H 589 4.275 4.275 4.543 -0.268 18462 10497 1 14 . 1 1 589 589 CYS C C 589 174.401 174.401 175.363 -0.962 18462 10498 1 14 . 1 1 589 589 CYS CA C 589 58.289 58.289 57.780 0.509 18462 10499 1 14 . 1 1 589 589 CYS CB C 589 26.413 26.413 28.645 -2.232 18462 10500 1 14 . 1 1 589 589 CYS H H 589 9.475 9.475 8.360 1.115 18462 10501 1 14 . 1 1 590 590 ARG N N 590 130.942 130.942 127.366 3.576 18462 10502 1 14 . 1 1 590 590 ARG HA H 590 4.689 4.689 4.502 0.187 18462 10503 1 14 . 1 1 590 590 ARG C C 590 175.091 175.091 177.105 -2.014 18462 10504 1 14 . 1 1 590 590 ARG CA C 590 55.241 55.241 56.635 -1.394 18462 10505 1 14 . 1 1 590 590 ARG CB C 590 30.633 30.633 30.616 0.017 18462 10506 1 14 . 1 1 590 590 ARG H H 590 7.227 7.227 8.839 -1.612 18462 10507 1 14 . 1 1 591 591 SER N N 591 117.243 117.243 115.920 1.323 18462 10508 1 14 . 1 1 591 591 SER HA H 591 4.342 4.342 4.317 0.025 18462 10509 1 14 . 1 1 591 591 SER C C 591 178.367 178.367 173.942 4.425 18462 10510 1 14 . 1 1 591 591 SER CA C 591 59.695 59.695 61.914 -2.219 18462 10511 1 14 . 1 1 591 591 SER CB C 591 61.923 61.923 63.841 -1.918 18462 10512 1 14 . 1 1 591 591 SER H H 591 9.571 9.571 8.746 0.825 18462 10513 1 14 . 1 1 592 592 LEU N N 592 121.308 121.308 115.783 5.525 18462 10514 1 14 . 1 1 592 592 LEU HA H 592 4.778 4.778 4.753 0.025 18462 10515 1 14 . 1 1 592 592 LEU C C 592 173.260 173.260 175.211 -1.951 18462 10516 1 14 . 1 1 592 592 LEU CA C 592 52.846 52.846 53.429 -0.583 18462 10517 1 14 . 1 1 592 592 LEU CB C 592 45.404 45.404 43.846 1.558 18462 10518 1 14 . 1 1 592 592 LEU H H 592 7.369 7.369 7.318 0.051 18462 10519 1 14 . 1 1 593 593 GLN N N 593 122.109 122.109 120.468 1.641 18462 10520 1 14 . 1 1 593 593 GLN HA H 593 4.564 4.564 4.512 0.052 18462 10521 1 14 . 1 1 593 593 GLN C C 593 175.827 175.827 175.023 0.804 18462 10522 1 14 . 1 1 593 593 GLN CA C 593 54.303 54.303 55.656 -1.353 18462 10523 1 14 . 1 1 593 593 GLN CB C 593 26.882 26.882 28.127 -1.244 18462 10524 1 14 . 1 1 593 593 GLN H H 593 8.599 8.599 8.404 0.195 18462 10525 1 14 . 1 1 594 594 ILE N N 594 118.085 118.085 119.572 -1.487 18462 10526 1 14 . 1 1 594 594 ILE HA H 594 4.755 4.755 4.561 0.194 18462 10527 1 14 . 1 1 594 594 ILE C C 594 175.093 175.093 174.504 0.589 18462 10528 1 14 . 1 1 594 594 ILE CA C 594 58.831 58.831 59.334 -0.502 18462 10529 1 14 . 1 1 594 594 ILE CB C 594 42.591 42.591 41.042 1.549 18462 10530 1 14 . 1 1 594 594 ILE H H 594 7.635 7.635 7.962 -0.327 18462 10531 1 14 . 1 1 595 595 ARG N N 595 123.800 123.800 121.416 2.384 18462 10532 1 14 . 1 1 595 595 ARG HA H 595 4.038 4.038 4.277 -0.239 18462 10533 1 14 . 1 1 595 595 ARG C C 595 175.440 175.440 175.707 -0.267 18462 10534 1 14 . 1 1 595 595 ARG CA C 595 56.386 56.386 55.771 0.615 18462 10535 1 14 . 1 1 595 595 ARG CB C 595 30.516 30.516 30.514 0.002 18462 10536 1 14 . 1 1 595 595 ARG H H 595 9.075 9.075 8.198 0.877 18462 10537 1 14 . 1 1 596 596 GLN N N 596 124.290 124.290 122.767 1.523 18462 10538 1 14 . 1 1 596 596 GLN HA H 596 4.420 4.420 4.300 0.120 18462 10539 1 14 . 1 1 596 596 GLN C C 596 174.630 174.630 174.841 -0.211 18462 10540 1 14 . 1 1 596 596 GLN CA C 596 52.907 52.907 54.374 -1.468 18462 10541 1 14 . 1 1 596 596 GLN CB C 596 30.164 30.164 28.634 1.530 18462 10542 1 14 . 1 1 596 596 GLN H H 596 8.495 8.495 8.370 0.125 18462 10543 1 14 . 1 1 597 597 TYR N N 597 121.829 121.829 122.133 -0.304 18462 10544 1 14 . 1 1 597 597 TYR HA H 597 4.767 4.767 4.178 0.589 18462 10545 1 14 . 1 1 597 597 TYR C C 597 175.453 175.453 176.807 -1.354 18462 10546 1 14 . 1 1 597 597 TYR CA C 597 57.467 57.467 58.044 -0.577 18462 10547 1 14 . 1 1 597 597 TYR CB C 597 38.839 38.839 38.497 0.342 18462 10548 1 14 . 1 1 597 597 TYR H H 597 7.966 7.966 8.017 -0.051 18462 10549 1 14 . 1 1 598 598 ALA N N 598 129.272 129.272 124.016 5.256 18462 10550 1 14 . 1 1 598 598 ALA HA H 598 4.191 4.191 4.099 0.092 18462 10551 1 14 . 1 1 598 598 ALA C C 598 177.425 177.425 176.841 0.584 18462 10552 1 14 . 1 1 598 598 ALA CA C 598 54.040 54.040 54.197 -0.157 18462 10553 1 14 . 1 1 598 598 ALA CB C 598 17.749 17.749 18.468 -0.719 18462 10554 1 14 . 1 1 598 598 ALA H H 598 9.540 9.540 8.791 0.749 18462 10555 1 14 . 1 1 599 599 TYR N N 599 115.845 115.845 111.560 4.285 18462 10556 1 14 . 1 1 599 599 TYR HA H 599 4.560 4.560 4.480 0.080 18462 10557 1 14 . 1 1 599 599 TYR C C 599 173.276 173.276 176.736 -3.460 18462 10558 1 14 . 1 1 599 599 TYR CA C 599 58.172 58.172 58.706 -0.534 18462 10559 1 14 . 1 1 599 599 TYR CB C 599 36.432 36.432 37.882 -1.450 18462 10560 1 14 . 1 1 599 599 TYR H H 599 8.496 8.496 7.624 0.872 18462 10561 1 14 . 1 1 600 600 LEU N N 600 120.764 120.764 121.089 -0.325 18462 10562 1 14 . 1 1 600 600 LEU HA H 600 4.260 4.260 4.415 -0.155 18462 10563 1 14 . 1 1 600 600 LEU C C 600 176.164 176.164 178.661 -2.497 18462 10564 1 14 . 1 1 600 600 LEU CA C 600 54.303 54.303 55.005 -0.702 18462 10565 1 14 . 1 1 600 600 LEU CB C 600 41.419 41.419 40.739 0.680 18462 10566 1 14 . 1 1 600 600 LEU H H 600 7.299 7.299 7.496 -0.197 18462 10567 1 14 . 1 1 601 601 SER N N 601 114.419 114.419 112.239 2.180 18462 10568 1 14 . 1 1 601 601 SER HA H 601 4.418 4.418 4.310 0.108 18462 10569 1 14 . 1 1 601 601 SER C C 601 177.754 177.754 174.300 3.454 18462 10570 1 14 . 1 1 601 601 SER CA C 601 58.054 58.054 59.109 -1.055 18462 10571 1 14 . 1 1 601 601 SER CB C 601 63.212 63.212 63.430 -0.218 18462 10572 1 14 . 1 1 601 601 SER H H 601 7.896 7.896 7.480 0.416 18462 10573 1 14 . 1 1 602 602 ASP N N 602 122.293 122.293 121.619 0.674 18462 10574 1 14 . 1 1 602 602 ASP HA H 602 4.651 4.651 4.628 0.023 18462 10575 1 14 . 1 1 602 602 ASP C C 602 174.087 174.087 176.525 -2.438 18462 10576 1 14 . 1 1 602 602 ASP CA C 602 53.845 53.845 54.543 -0.698 18462 10577 1 14 . 1 1 602 602 ASP CB C 602 40.481 40.481 41.803 -1.322 18462 10578 1 14 . 1 1 602 602 ASP H H 602 8.257 8.257 7.328 0.929 18462 10579 1 14 . 1 1 603 603 ARG N N 603 121.398 121.398 121.634 -0.236 18462 10580 1 14 . 1 1 603 603 ARG HA H 603 4.454 4.454 4.334 0.120 18462 10581 1 14 . 1 1 603 603 ARG C C 603 176.111 176.111 177.355 -1.244 18462 10582 1 14 . 1 1 603 603 ARG CA C 603 55.241 55.241 56.621 -1.380 18462 10583 1 14 . 1 1 603 603 ARG CB C 603 30.164 30.164 30.747 -0.583 18462 10584 1 14 . 1 1 603 603 ARG H H 603 8.234 8.234 8.438 -0.204 18462 10585 1 15 . 1 1 473 473 ASN HA H 473 4.815 4.815 5.180 -0.365 18462 10586 1 15 . 1 1 473 473 ASN CA C 473 52.204 52.204 53.275 -1.071 18462 10587 1 15 . 1 1 473 473 ASN CB C 473 38.371 38.371 39.489 -1.118 18462 10588 1 15 . 1 1 474 474 LYS N N 474 122.150 122.150 120.978 1.172 18462 10589 1 15 . 1 1 474 474 LYS HA H 474 4.375 4.375 4.590 -0.215 18462 10590 1 15 . 1 1 474 474 LYS C C 474 174.965 174.965 175.769 -0.804 18462 10591 1 15 . 1 1 474 474 LYS CA C 474 55.944 55.944 55.374 0.570 18462 10592 1 15 . 1 1 474 474 LYS CB C 474 32.405 32.405 34.418 -2.013 18462 10593 1 15 . 1 1 474 474 LYS H H 474 8.586 8.586 8.196 0.390 18462 10594 1 15 . 1 1 475 475 ARG N N 475 122.278 122.278 122.578 -0.300 18462 10595 1 15 . 1 1 475 475 ARG HA H 475 4.374 4.374 4.442 -0.068 18462 10596 1 15 . 1 1 475 475 ARG C C 475 176.695 176.695 175.730 0.965 18462 10597 1 15 . 1 1 475 475 ARG CA C 475 55.944 55.944 55.176 0.768 18462 10598 1 15 . 1 1 475 475 ARG CB C 475 30.164 30.164 28.268 1.896 18462 10599 1 15 . 1 1 475 475 ARG H H 475 8.662 8.662 8.755 -0.093 18462 10600 1 15 . 1 1 476 476 MET N N 476 122.046 122.046 122.774 -0.728 18462 10601 1 15 . 1 1 476 476 MET HA H 476 4.496 4.496 4.270 0.226 18462 10602 1 15 . 1 1 476 476 MET C C 476 176.359 176.359 177.220 -0.861 18462 10603 1 15 . 1 1 476 476 MET CA C 476 54.537 54.537 56.224 -1.687 18462 10604 1 15 . 1 1 476 476 MET CB C 476 32.509 32.509 33.091 -0.582 18462 10605 1 15 . 1 1 476 476 MET H H 476 8.490 8.490 8.038 0.452 18462 10606 1 15 . 1 1 477 477 LYS N N 477 123.768 123.768 126.127 -2.359 18462 10607 1 15 . 1 1 477 477 LYS HA H 477 4.384 4.384 4.419 -0.035 18462 10608 1 15 . 1 1 477 477 LYS C C 477 176.015 176.015 175.777 0.238 18462 10609 1 15 . 1 1 477 477 LYS CA C 477 55.834 55.834 55.511 0.323 18462 10610 1 15 . 1 1 477 477 LYS CB C 477 32.107 32.107 30.248 1.859 18462 10611 1 15 . 1 1 477 477 LYS H H 477 8.472 8.472 8.526 -0.054 18462 10612 1 15 . 1 1 478 478 VAL N N 478 122.460 122.460 119.768 2.692 18462 10613 1 15 . 1 1 478 478 VAL HA H 478 4.054 4.054 4.004 0.050 18462 10614 1 15 . 1 1 478 478 VAL C C 478 176.320 176.320 175.750 0.570 18462 10615 1 15 . 1 1 478 478 VAL CA C 478 61.337 61.337 61.948 -0.611 18462 10616 1 15 . 1 1 478 478 VAL CB C 478 32.275 32.275 32.712 -0.437 18462 10617 1 15 . 1 1 478 478 VAL H H 478 8.230 8.230 7.487 0.743 18462 10618 1 15 . 1 1 479 479 LYS N N 479 126.119 126.119 124.359 1.760 18462 10619 1 15 . 1 1 479 479 LYS HA H 479 4.365 4.365 4.431 -0.066 18462 10620 1 15 . 1 1 479 479 LYS C C 479 175.605 175.605 175.710 -0.105 18462 10621 1 15 . 1 1 479 479 LYS CA C 479 55.006 55.006 55.877 -0.871 18462 10622 1 15 . 1 1 479 479 LYS CB C 479 32.098 32.098 33.240 -1.143 18462 10623 1 15 . 1 1 479 479 LYS H H 479 8.453 8.453 8.222 0.231 18462 10624 1 15 . 1 1 480 480 HIS N N 480 121.065 121.065 118.759 2.306 18462 10625 1 15 . 1 1 480 480 HIS HA H 480 4.713 4.713 4.788 -0.075 18462 10626 1 15 . 1 1 480 480 HIS C C 480 175.937 175.937 175.356 0.581 18462 10627 1 15 . 1 1 480 480 HIS CA C 480 54.537 54.537 55.269 -0.732 18462 10628 1 15 . 1 1 480 480 HIS CB C 480 30.047 30.047 32.819 -2.772 18462 10629 1 15 . 1 1 480 480 HIS H H 480 8.559 8.559 8.600 -0.041 18462 10630 1 15 . 1 1 481 481 ASP HA H 481 4.392 4.392 4.525 -0.133 18462 10631 1 15 . 1 1 481 481 ASP C C 481 174.413 174.413 175.998 -1.585 18462 10632 1 15 . 1 1 481 481 ASP CA C 481 52.907 52.907 54.393 -1.486 18462 10633 1 15 . 1 1 481 481 ASP CB C 481 39.543 39.543 40.663 -1.121 18462 10634 1 15 . 1 1 482 482 ASP N N 482 118.362 118.362 118.033 0.329 18462 10635 1 15 . 1 1 482 482 ASP HA H 482 4.710 4.710 4.470 0.240 18462 10636 1 15 . 1 1 482 482 ASP C C 482 175.104 175.104 175.141 -0.037 18462 10637 1 15 . 1 1 482 482 ASP CA C 482 53.376 53.376 53.986 -0.610 18462 10638 1 15 . 1 1 482 482 ASP CB C 482 39.308 39.308 39.479 -0.171 18462 10639 1 15 . 1 1 482 482 ASP H H 482 8.216 8.216 8.444 -0.228 18462 10640 1 15 . 1 1 483 483 HIS N N 483 113.578 113.578 112.812 0.766 18462 10641 1 15 . 1 1 483 483 HIS HA H 483 5.886 5.886 5.267 0.619 18462 10642 1 15 . 1 1 483 483 HIS C C 483 175.274 175.274 172.781 2.493 18462 10643 1 15 . 1 1 483 483 HIS CA C 483 55.241 55.241 55.399 -0.158 18462 10644 1 15 . 1 1 483 483 HIS CB C 483 32.040 32.040 31.322 0.719 18462 10645 1 15 . 1 1 483 483 HIS H H 483 7.692 7.692 7.103 0.589 18462 10646 1 15 . 1 1 484 484 TYR N N 484 116.271 116.271 114.178 2.093 18462 10647 1 15 . 1 1 484 484 TYR HA H 484 5.003 5.003 4.968 0.035 18462 10648 1 15 . 1 1 484 484 TYR C C 484 180.038 180.038 173.778 6.260 18462 10649 1 15 . 1 1 484 484 TYR CA C 484 55.241 55.241 56.426 -1.185 18462 10650 1 15 . 1 1 484 484 TYR CB C 484 39.777 39.777 40.370 -0.593 18462 10651 1 15 . 1 1 484 484 TYR H H 484 8.493 8.493 8.782 -0.289 18462 10652 1 15 . 1 1 485 485 GLU N N 485 120.840 120.840 121.384 -0.544 18462 10653 1 15 . 1 1 485 485 GLU HA H 485 5.301 5.301 5.294 0.007 18462 10654 1 15 . 1 1 485 485 GLU C C 485 174.101 174.101 175.652 -1.551 18462 10655 1 15 . 1 1 485 485 GLU CA C 485 54.772 54.772 55.382 -0.610 18462 10656 1 15 . 1 1 485 485 GLU CB C 485 31.337 31.337 31.817 -0.480 18462 10657 1 15 . 1 1 485 485 GLU H H 485 8.873 8.873 8.695 0.178 18462 10658 1 15 . 1 1 486 486 LEU N N 486 125.807 125.807 126.481 -0.674 18462 10659 1 15 . 1 1 486 486 LEU HA H 486 4.762 4.762 4.817 -0.055 18462 10660 1 15 . 1 1 486 486 LEU C C 486 175.613 175.613 174.834 0.779 18462 10661 1 15 . 1 1 486 486 LEU CA C 486 53.645 53.645 54.368 -0.723 18462 10662 1 15 . 1 1 486 486 LEU CB C 486 45.873 45.873 45.210 0.663 18462 10663 1 15 . 1 1 486 486 LEU H H 486 8.957 8.957 8.954 0.003 18462 10664 1 15 . 1 1 487 487 ILE N N 487 125.332 125.332 127.824 -2.492 18462 10665 1 15 . 1 1 487 487 ILE HA H 487 5.007 5.007 4.449 0.558 18462 10666 1 15 . 1 1 487 487 ILE C C 487 174.543 174.543 175.515 -0.972 18462 10667 1 15 . 1 1 487 487 ILE CA C 487 59.695 59.695 61.486 -1.791 18462 10668 1 15 . 1 1 487 487 ILE CB C 487 37.433 37.433 38.364 -0.931 18462 10669 1 15 . 1 1 487 487 ILE H H 487 8.549 8.549 8.479 0.070 18462 10670 1 15 . 1 1 488 488 VAL N N 488 129.307 129.307 128.497 0.810 18462 10671 1 15 . 1 1 488 488 VAL HA H 488 4.304 4.304 4.113 0.191 18462 10672 1 15 . 1 1 488 488 VAL C C 488 176.678 176.678 174.828 1.850 18462 10673 1 15 . 1 1 488 488 VAL CA C 488 60.868 60.868 60.748 0.120 18462 10674 1 15 . 1 1 488 488 VAL CB C 488 33.681 33.681 34.453 -0.772 18462 10675 1 15 . 1 1 488 488 VAL H H 488 9.456 9.456 8.599 0.857 18462 10676 1 15 . 1 1 489 489 ASP N N 489 128.884 128.884 127.971 0.913 18462 10677 1 15 . 1 1 489 489 ASP HA H 489 4.301 4.301 4.202 0.099 18462 10678 1 15 . 1 1 489 489 ASP C C 489 176.084 176.084 176.814 -0.730 18462 10679 1 15 . 1 1 489 489 ASP CA C 489 54.537 54.537 54.783 -0.246 18462 10680 1 15 . 1 1 489 489 ASP CB C 489 39.074 39.074 40.305 -1.231 18462 10681 1 15 . 1 1 489 489 ASP H H 489 9.144 9.144 8.949 0.195 18462 10682 1 15 . 1 1 490 490 GLY N N 490 102.410 102.410 103.002 -0.592 18462 10683 1 15 . 1 1 490 490 GLY C C 490 175.998 175.998 174.317 1.681 18462 10684 1 15 . 1 1 490 490 GLY CA C 490 44.818 44.818 45.150 -0.332 18462 10685 1 15 . 1 1 490 490 GLY H H 490 8.210 8.210 8.115 0.095 18462 10686 1 15 . 1 1 491 491 ARG N N 491 122.605 122.605 122.176 0.429 18462 10687 1 15 . 1 1 491 491 ARG HA H 491 4.597 4.597 4.435 0.162 18462 10688 1 15 . 1 1 491 491 ARG C C 491 173.256 173.256 175.452 -2.196 18462 10689 1 15 . 1 1 491 491 ARG CA C 491 53.610 53.610 55.288 -1.678 18462 10690 1 15 . 1 1 491 491 ARG CB C 491 32.040 32.040 31.155 0.885 18462 10691 1 15 . 1 1 491 491 ARG H H 491 7.938 7.938 7.739 0.199 18462 10692 1 15 . 1 1 492 492 VAL N N 492 123.769 123.769 124.827 -1.058 18462 10693 1 15 . 1 1 492 492 VAL HA H 492 4.128 4.128 3.773 0.355 18462 10694 1 15 . 1 1 492 492 VAL C C 492 173.470 173.470 175.003 -1.533 18462 10695 1 15 . 1 1 492 492 VAL CA C 492 62.210 62.210 62.478 -0.268 18462 10696 1 15 . 1 1 492 492 VAL CB C 492 32.040 32.040 31.216 0.824 18462 10697 1 15 . 1 1 492 492 VAL H H 492 8.157 8.157 8.462 -0.305 18462 10698 1 15 . 1 1 493 493 TYR N N 493 124.842 124.842 126.068 -1.226 18462 10699 1 15 . 1 1 493 493 TYR HA H 493 4.632 4.632 4.623 0.009 18462 10700 1 15 . 1 1 493 493 TYR C C 493 174.288 174.288 175.391 -1.103 18462 10701 1 15 . 1 1 493 493 TYR CA C 493 56.308 56.308 53.971 2.337 18462 10702 1 15 . 1 1 493 493 TYR CB C 493 40.481 40.481 40.641 -0.160 18462 10703 1 15 . 1 1 493 493 TYR H H 493 8.981 8.981 8.641 0.340 18462 10704 1 15 . 1 1 494 494 TYR N N 494 120.511 120.511 118.357 2.154 18462 10705 1 15 . 1 1 494 494 TYR HA H 494 4.763 4.763 5.279 -0.516 18462 10706 1 15 . 1 1 494 494 TYR C C 494 173.811 173.811 175.370 -1.559 18462 10707 1 15 . 1 1 494 494 TYR CA C 494 56.764 56.764 56.560 0.204 18462 10708 1 15 . 1 1 494 494 TYR CB C 494 38.722 38.722 40.184 -1.462 18462 10709 1 15 . 1 1 494 494 TYR H H 494 9.235 9.235 9.091 0.144 18462 10710 1 15 . 1 1 495 495 ILE N N 495 124.930 124.930 122.339 2.591 18462 10711 1 15 . 1 1 495 495 ILE HA H 495 4.780 4.780 4.857 -0.077 18462 10712 1 15 . 1 1 495 495 ILE C C 495 174.764 174.764 175.381 -0.617 18462 10713 1 15 . 1 1 495 495 ILE CA C 495 57.714 57.714 59.099 -1.385 18462 10714 1 15 . 1 1 495 495 ILE CB C 495 36.729 36.729 40.862 -4.133 18462 10715 1 15 . 1 1 495 495 ILE H H 495 9.136 9.136 9.162 -0.026 18462 10716 1 15 . 1 1 496 496 CYS N N 496 127.535 127.535 127.461 0.074 18462 10717 1 15 . 1 1 496 496 CYS HA H 496 4.745 4.745 4.786 -0.041 18462 10718 1 15 . 1 1 496 496 CYS C C 496 176.128 176.128 176.921 -0.793 18462 10719 1 15 . 1 1 496 496 CYS CA C 496 60.574 60.574 58.853 1.721 18462 10720 1 15 . 1 1 496 496 CYS CB C 496 29.227 29.227 28.264 0.963 18462 10721 1 15 . 1 1 496 496 CYS H H 496 9.016 9.016 8.506 0.510 18462 10722 1 15 . 1 1 497 497 ILE N N 497 129.645 129.645 124.998 4.647 18462 10723 1 15 . 1 1 497 497 ILE HA H 497 4.176 4.176 4.137 0.039 18462 10724 1 15 . 1 1 497 497 ILE C C 497 177.925 177.925 177.262 0.663 18462 10725 1 15 . 1 1 497 497 ILE CA C 497 63.447 63.447 64.823 -1.376 18462 10726 1 15 . 1 1 497 497 ILE CB C 497 39.543 39.543 37.719 1.823 18462 10727 1 15 . 1 1 497 497 ILE H H 497 8.295 8.295 8.016 0.279 18462 10728 1 15 . 1 1 498 498 VAL N N 498 123.791 123.791 120.185 3.606 18462 10729 1 15 . 1 1 498 498 VAL HA H 498 3.939 3.939 3.763 0.176 18462 10730 1 15 . 1 1 498 498 VAL C C 498 176.127 176.127 177.105 -0.978 18462 10731 1 15 . 1 1 498 498 VAL CA C 498 64.619 64.619 66.300 -1.681 18462 10732 1 15 . 1 1 498 498 VAL CB C 498 32.275 32.275 31.279 0.996 18462 10733 1 15 . 1 1 498 498 VAL H H 498 8.993 8.993 7.959 1.034 18462 10734 1 15 . 1 1 499 499 CYS N N 499 117.267 117.267 112.154 5.113 18462 10735 1 15 . 1 1 499 499 CYS HA H 499 5.157 5.157 4.875 0.282 18462 10736 1 15 . 1 1 499 499 CYS C C 499 177.106 177.106 174.946 2.160 18462 10737 1 15 . 1 1 499 499 CYS CA C 499 57.820 57.820 57.379 0.441 18462 10738 1 15 . 1 1 499 499 CYS CB C 499 31.571 31.571 28.492 3.079 18462 10739 1 15 . 1 1 499 499 CYS H H 499 8.307 8.307 7.865 0.442 18462 10740 1 15 . 1 1 500 500 LYS N N 500 117.950 117.950 118.910 -0.960 18462 10741 1 15 . 1 1 500 500 LYS HA H 500 4.306 4.306 4.080 0.226 18462 10742 1 15 . 1 1 500 500 LYS C C 500 175.869 175.869 175.532 0.337 18462 10743 1 15 . 1 1 500 500 LYS CA C 500 57.585 57.585 57.281 0.304 18462 10744 1 15 . 1 1 500 500 LYS CB C 500 28.289 28.289 29.738 -1.449 18462 10745 1 15 . 1 1 500 500 LYS H H 500 8.169 8.169 8.217 -0.048 18462 10746 1 15 . 1 1 501 501 ARG N N 501 121.270 121.270 119.664 1.606 18462 10747 1 15 . 1 1 501 501 ARG HA H 501 4.090 4.090 4.166 -0.076 18462 10748 1 15 . 1 1 501 501 ARG C C 501 175.587 175.587 175.712 -0.125 18462 10749 1 15 . 1 1 501 501 ARG CA C 501 58.289 58.289 56.029 2.260 18462 10750 1 15 . 1 1 501 501 ARG CB C 501 29.694 29.694 31.131 -1.437 18462 10751 1 15 . 1 1 501 501 ARG H H 501 8.071 8.071 7.666 0.405 18462 10752 1 15 . 1 1 502 502 SER N N 502 112.997 112.997 117.293 -4.296 18462 10753 1 15 . 1 1 502 502 SER HA H 502 5.003 5.003 4.674 0.329 18462 10754 1 15 . 1 1 502 502 SER C C 502 174.417 174.417 173.181 1.236 18462 10755 1 15 . 1 1 502 502 SER CA C 502 55.475 55.475 57.217 -1.742 18462 10756 1 15 . 1 1 502 502 SER CB C 502 65.088 65.088 64.523 0.565 18462 10757 1 15 . 1 1 502 502 SER H H 502 7.553 7.553 8.172 -0.619 18462 10758 1 15 . 1 1 503 503 TYR N N 503 121.115 121.115 121.695 -0.580 18462 10759 1 15 . 1 1 503 503 TYR HA H 503 4.996 4.996 4.607 0.389 18462 10760 1 15 . 1 1 503 503 TYR C C 503 173.707 173.707 175.409 -1.702 18462 10761 1 15 . 1 1 503 503 TYR CA C 503 57.585 57.585 57.791 -0.206 18462 10762 1 15 . 1 1 503 503 TYR CB C 503 42.244 42.244 41.765 0.479 18462 10763 1 15 . 1 1 503 503 TYR H H 503 8.958 8.958 8.444 0.514 18462 10764 1 15 . 1 1 504 504 VAL N N 504 119.390 119.390 121.188 -1.798 18462 10765 1 15 . 1 1 504 504 VAL HA H 504 4.376 4.376 3.951 0.425 18462 10766 1 15 . 1 1 504 504 VAL C C 504 176.390 176.390 175.682 0.708 18462 10767 1 15 . 1 1 504 504 VAL CA C 504 62.275 62.275 63.941 -1.665 18462 10768 1 15 . 1 1 504 504 VAL CB C 504 33.025 33.025 32.355 0.670 18462 10769 1 15 . 1 1 504 504 VAL H H 504 9.988 9.988 8.603 1.385 18462 10770 1 15 . 1 1 505 505 CYS N N 505 113.800 113.800 115.942 -2.142 18462 10771 1 15 . 1 1 505 505 CYS HA H 505 4.998 4.998 4.812 0.186 18462 10772 1 15 . 1 1 505 505 CYS C C 505 176.603 176.603 175.164 1.439 18462 10773 1 15 . 1 1 505 505 CYS CA C 505 56.647 56.647 57.664 -1.018 18462 10774 1 15 . 1 1 505 505 CYS CB C 505 38.406 38.406 31.386 7.020 18462 10775 1 15 . 1 1 505 505 CYS H H 505 7.518 7.518 7.746 -0.228 18462 10776 1 15 . 1 1 506 506 LEU N N 506 129.535 129.535 124.177 5.358 18462 10777 1 15 . 1 1 506 506 LEU HA H 506 3.325 3.325 3.550 -0.225 18462 10778 1 15 . 1 1 506 506 LEU C C 506 174.727 174.727 178.004 -3.277 18462 10779 1 15 . 1 1 506 506 LEU CA C 506 56.647 56.647 58.075 -1.428 18462 10780 1 15 . 1 1 506 506 LEU CB C 506 39.308 39.308 41.128 -1.820 18462 10781 1 15 . 1 1 506 506 LEU H H 506 8.602 8.602 8.698 -0.096 18462 10782 1 15 . 1 1 507 507 THR N N 507 108.833 108.833 110.647 -1.814 18462 10783 1 15 . 1 1 507 507 THR HA H 507 3.820 3.820 3.854 -0.034 18462 10784 1 15 . 1 1 507 507 THR C C 507 178.905 178.905 176.970 1.935 18462 10785 1 15 . 1 1 507 507 THR CA C 507 64.150 64.150 66.153 -2.003 18462 10786 1 15 . 1 1 507 507 THR CB C 507 66.260 66.260 67.627 -1.367 18462 10787 1 15 . 1 1 507 507 THR H H 507 8.087 8.087 8.251 -0.164 18462 10788 1 15 . 1 1 508 508 SER N N 508 119.009 119.009 118.790 0.219 18462 10789 1 15 . 1 1 508 508 SER HA H 508 4.123 4.123 4.013 0.110 18462 10790 1 15 . 1 1 508 508 SER C C 508 178.467 178.467 176.079 2.388 18462 10791 1 15 . 1 1 508 508 SER CA C 508 59.461 59.461 61.080 -1.619 18462 10792 1 15 . 1 1 508 508 SER CB C 508 62.978 62.978 62.735 0.243 18462 10793 1 15 . 1 1 508 508 SER H H 508 7.230 7.230 7.427 -0.197 18462 10794 1 15 . 1 1 509 509 LEU N N 509 127.365 127.365 123.584 3.781 18462 10795 1 15 . 1 1 509 509 LEU HA H 509 3.216 3.216 3.413 -0.197 18462 10796 1 15 . 1 1 509 509 LEU C C 509 176.740 176.740 177.651 -0.911 18462 10797 1 15 . 1 1 509 509 LEU CA C 509 57.351 57.351 57.903 -0.552 18462 10798 1 15 . 1 1 509 509 LEU CB C 509 39.074 39.074 41.707 -2.633 18462 10799 1 15 . 1 1 509 509 LEU H H 509 7.114 7.114 7.183 -0.069 18462 10800 1 15 . 1 1 510 510 ARG N N 510 119.955 119.955 117.988 1.967 18462 10801 1 15 . 1 1 510 510 ARG HA H 510 3.843 3.843 3.918 -0.075 18462 10802 1 15 . 1 1 510 510 ARG C C 510 178.472 178.472 178.880 -0.408 18462 10803 1 15 . 1 1 510 510 ARG CA C 510 61.766 61.766 57.847 3.919 18462 10804 1 15 . 1 1 510 510 ARG CB C 510 28.992 28.992 28.890 0.102 18462 10805 1 15 . 1 1 510 510 ARG H H 510 8.100 8.100 8.422 -0.322 18462 10806 1 15 . 1 1 511 511 ARG N N 511 120.947 120.947 118.335 2.612 18462 10807 1 15 . 1 1 511 511 ARG HA H 511 4.078 4.078 3.859 0.219 18462 10808 1 15 . 1 1 511 511 ARG C C 511 178.262 178.262 177.469 0.793 18462 10809 1 15 . 1 1 511 511 ARG CA C 511 59.054 59.054 59.131 -0.077 18462 10810 1 15 . 1 1 511 511 ARG CB C 511 29.695 29.695 30.008 -0.312 18462 10811 1 15 . 1 1 511 511 ARG H H 511 7.802 7.802 7.922 -0.120 18462 10812 1 15 . 1 1 512 512 HIS N N 512 116.820 116.820 117.033 -0.213 18462 10813 1 15 . 1 1 512 512 HIS HA H 512 4.219 4.219 4.241 -0.022 18462 10814 1 15 . 1 1 512 512 HIS C C 512 178.069 178.069 177.286 0.783 18462 10815 1 15 . 1 1 512 512 HIS CA C 512 57.507 57.507 58.571 -1.064 18462 10816 1 15 . 1 1 512 512 HIS CB C 512 27.390 27.390 30.119 -2.729 18462 10817 1 15 . 1 1 512 512 HIS H H 512 7.809 7.809 7.755 0.054 18462 10818 1 15 . 1 1 513 513 PHE N N 513 118.415 118.415 121.173 -2.758 18462 10819 1 15 . 1 1 513 513 PHE HA H 513 3.620 3.620 3.929 -0.309 18462 10820 1 15 . 1 1 513 513 PHE C C 513 176.026 176.026 176.524 -0.498 18462 10821 1 15 . 1 1 513 513 PHE CA C 513 61.102 61.102 61.462 -0.360 18462 10822 1 15 . 1 1 513 513 PHE CB C 513 38.996 38.996 39.017 -0.021 18462 10823 1 15 . 1 1 513 513 PHE H H 513 8.898 8.898 8.800 0.098 18462 10824 1 15 . 1 1 514 514 ASN N N 514 114.080 114.080 118.860 -4.780 18462 10825 1 15 . 1 1 514 514 ASN HA H 514 4.988 4.988 4.310 0.678 18462 10826 1 15 . 1 1 514 514 ASN C C 514 176.236 176.236 177.260 -1.024 18462 10827 1 15 . 1 1 514 514 ASN CA C 514 55.006 55.006 55.604 -0.598 18462 10828 1 15 . 1 1 514 514 ASN CB C 514 40.129 40.129 38.535 1.594 18462 10829 1 15 . 1 1 514 514 ASN H H 514 8.678 8.678 7.690 0.988 18462 10830 1 15 . 1 1 515 515 ILE N N 515 114.035 114.035 118.099 -4.064 18462 10831 1 15 . 1 1 515 515 ILE HA H 515 2.997 2.997 3.158 -0.161 18462 10832 1 15 . 1 1 515 515 ILE C C 515 176.292 176.292 175.896 0.396 18462 10833 1 15 . 1 1 515 515 ILE CA C 515 63.447 63.447 63.389 0.058 18462 10834 1 15 . 1 1 515 515 ILE CB C 515 37.198 37.198 37.529 -0.331 18462 10835 1 15 . 1 1 515 515 ILE H H 515 7.919 7.919 7.798 0.121 18462 10836 1 15 . 1 1 516 516 HIS N N 516 113.136 113.136 117.551 -4.415 18462 10837 1 15 . 1 1 516 516 HIS HA H 516 4.767 4.767 4.554 0.213 18462 10838 1 15 . 1 1 516 516 HIS C C 516 175.870 175.870 177.184 -1.314 18462 10839 1 15 . 1 1 516 516 HIS CA C 516 54.542 54.542 58.184 -3.642 18462 10840 1 15 . 1 1 516 516 HIS CB C 516 27.585 27.585 30.234 -2.649 18462 10841 1 15 . 1 1 516 516 HIS H H 516 7.170 7.170 7.542 -0.372 18462 10842 1 15 . 1 1 517 517 SER N N 517 112.852 112.852 114.007 -1.155 18462 10843 1 15 . 1 1 517 517 SER HA H 517 4.359 4.359 4.298 0.061 18462 10844 1 15 . 1 1 517 517 SER C C 517 177.067 177.067 175.397 1.670 18462 10845 1 15 . 1 1 517 517 SER CA C 517 58.758 58.758 59.502 -0.744 18462 10846 1 15 . 1 1 517 517 SER CB C 517 63.447 63.447 64.234 -0.787 18462 10847 1 15 . 1 1 517 517 SER H H 517 7.886 7.886 7.815 0.071 18462 10848 1 15 . 1 1 518 518 TRP N N 518 122.824 122.824 121.097 1.727 18462 10849 1 15 . 1 1 518 518 TRP HA H 518 4.005 4.005 4.347 -0.342 18462 10850 1 15 . 1 1 518 518 TRP C C 518 175.133 175.133 176.779 -1.646 18462 10851 1 15 . 1 1 518 518 TRP CA C 518 57.820 57.820 58.405 -0.585 18462 10852 1 15 . 1 1 518 518 TRP CB C 518 25.710 25.710 26.520 -0.810 18462 10853 1 15 . 1 1 518 518 TRP H H 518 9.274 9.274 7.647 1.627 18462 10854 1 15 . 1 1 519 519 GLU N N 519 119.673 119.673 117.004 2.669 18462 10855 1 15 . 1 1 519 519 GLU HA H 519 4.042 4.042 4.149 -0.107 18462 10856 1 15 . 1 1 519 519 GLU C C 519 175.353 175.353 176.379 -1.026 18462 10857 1 15 . 1 1 519 519 GLU CA C 519 58.758 58.758 57.988 0.770 18462 10858 1 15 . 1 1 519 519 GLU CB C 519 29.695 29.695 29.983 -0.288 18462 10859 1 15 . 1 1 519 519 GLU H H 519 7.828 7.828 7.856 -0.028 18462 10860 1 15 . 1 1 520 520 LYS N N 520 118.358 118.358 119.648 -1.290 18462 10861 1 15 . 1 1 520 520 LYS HA H 520 4.544 4.544 4.362 0.182 18462 10862 1 15 . 1 1 520 520 LYS C C 520 178.036 178.036 174.798 3.238 18462 10863 1 15 . 1 1 520 520 LYS CA C 520 53.845 53.845 54.954 -1.109 18462 10864 1 15 . 1 1 520 520 LYS CB C 520 34.385 34.385 34.250 0.135 18462 10865 1 15 . 1 1 520 520 LYS H H 520 9.085 9.085 7.943 1.142 18462 10866 1 15 . 1 1 521 521 LYS N N 521 118.859 118.859 122.008 -3.149 18462 10867 1 15 . 1 1 521 521 LYS HA H 521 4.658 4.658 4.452 0.206 18462 10868 1 15 . 1 1 521 521 LYS C C 521 175.168 175.168 175.835 -0.667 18462 10869 1 15 . 1 1 521 521 LYS CA C 521 54.537 54.537 54.332 0.205 18462 10870 1 15 . 1 1 521 521 LYS CB C 521 35.323 35.323 33.221 2.102 18462 10871 1 15 . 1 1 521 521 LYS H H 521 8.238 8.238 8.201 0.037 18462 10872 1 15 . 1 1 522 522 TYR N N 522 117.305 117.305 121.385 -4.080 18462 10873 1 15 . 1 1 522 522 TYR HA H 522 5.028 5.028 4.923 0.105 18462 10874 1 15 . 1 1 522 522 TYR C C 522 175.016 175.016 174.182 0.834 18462 10875 1 15 . 1 1 522 522 TYR CA C 522 54.537 54.537 55.048 -0.511 18462 10876 1 15 . 1 1 522 522 TYR CB C 522 37.198 37.198 38.486 -1.288 18462 10877 1 15 . 1 1 522 522 TYR H H 522 7.788 7.788 8.304 -0.516 18462 10878 1 15 . 1 1 523 523 PRO HA H 523 5.026 5.026 5.072 -0.046 18462 10879 1 15 . 1 1 523 523 PRO CA C 523 61.806 61.806 62.226 -0.420 18462 10880 1 15 . 1 1 523 523 PRO CB C 523 31.839 31.839 32.726 -0.887 18462 10881 1 15 . 1 1 524 524 CYS N N 524 126.569 126.569 122.506 4.063 18462 10882 1 15 . 1 1 524 524 CYS HA H 524 4.739 4.739 4.793 -0.054 18462 10883 1 15 . 1 1 524 524 CYS C C 524 176.841 176.841 176.058 0.783 18462 10884 1 15 . 1 1 524 524 CYS CA C 524 60.290 60.290 57.574 2.716 18462 10885 1 15 . 1 1 524 524 CYS CB C 524 29.344 29.344 30.128 -0.784 18462 10886 1 15 . 1 1 524 524 CYS H H 524 9.210 9.210 8.682 0.528 18462 10887 1 15 . 1 1 525 525 ARG N N 525 130.294 130.294 125.095 5.199 18462 10888 1 15 . 1 1 525 525 ARG HA H 525 4.285 4.285 4.267 0.018 18462 10889 1 15 . 1 1 525 525 ARG C C 525 176.390 176.390 177.729 -1.339 18462 10890 1 15 . 1 1 525 525 ARG CA C 525 58.043 58.043 57.434 0.609 18462 10891 1 15 . 1 1 525 525 ARG CB C 525 27.576 27.576 30.122 -2.546 18462 10892 1 15 . 1 1 525 525 ARG H H 525 9.724 9.724 9.826 -0.102 18462 10893 1 15 . 1 1 526 526 TYR N N 526 122.622 122.622 116.519 6.103 18462 10894 1 15 . 1 1 526 526 TYR HA H 526 4.517 4.517 4.324 0.193 18462 10895 1 15 . 1 1 526 526 TYR C C 526 176.659 176.659 176.105 0.554 18462 10896 1 15 . 1 1 526 526 TYR CA C 526 58.054 58.054 58.407 -0.353 18462 10897 1 15 . 1 1 526 526 TYR CB C 526 37.628 37.628 38.025 -0.397 18462 10898 1 15 . 1 1 526 526 TYR H H 526 10.439 10.439 8.590 1.849 18462 10899 1 15 . 1 1 527 527 CYS N N 527 122.873 122.873 116.132 6.741 18462 10900 1 15 . 1 1 527 527 CYS HA H 527 5.153 5.153 4.926 0.227 18462 10901 1 15 . 1 1 527 527 CYS C C 527 175.243 175.243 175.176 0.067 18462 10902 1 15 . 1 1 527 527 CYS CA C 527 58.148 58.148 56.178 1.970 18462 10903 1 15 . 1 1 527 527 CYS CB C 527 30.164 30.164 31.704 -1.540 18462 10904 1 15 . 1 1 527 527 CYS H H 527 8.462 8.462 7.793 0.669 18462 10905 1 15 . 1 1 528 528 GLU N N 528 115.906 115.906 119.564 -3.658 18462 10906 1 15 . 1 1 528 528 GLU HA H 528 4.453 4.453 4.160 0.293 18462 10907 1 15 . 1 1 528 528 GLU C C 528 173.484 173.484 175.372 -1.888 18462 10908 1 15 . 1 1 528 528 GLU CA C 528 57.390 57.390 56.429 0.960 18462 10909 1 15 . 1 1 528 528 GLU CB C 528 29.608 29.608 27.768 1.840 18462 10910 1 15 . 1 1 528 528 GLU H H 528 8.704 8.704 8.713 -0.009 18462 10911 1 15 . 1 1 529 529 LYS N N 529 125.068 125.068 121.468 3.600 18462 10912 1 15 . 1 1 529 529 LYS HA H 529 4.041 4.041 4.361 -0.320 18462 10913 1 15 . 1 1 529 529 LYS C C 529 176.881 176.881 174.561 2.320 18462 10914 1 15 . 1 1 529 529 LYS CA C 529 57.585 57.585 55.986 1.599 18462 10915 1 15 . 1 1 529 529 LYS CB C 529 33.212 33.212 33.987 -0.775 18462 10916 1 15 . 1 1 529 529 LYS H H 529 8.696 8.696 7.758 0.938 18462 10917 1 15 . 1 1 530 530 VAL N N 530 119.525 119.525 121.864 -2.339 18462 10918 1 15 . 1 1 530 530 VAL HA H 530 4.541 4.541 4.497 0.044 18462 10919 1 15 . 1 1 530 530 VAL C C 530 175.118 175.118 175.556 -0.438 18462 10920 1 15 . 1 1 530 530 VAL CA C 530 60.633 60.633 61.224 -0.591 18462 10921 1 15 . 1 1 530 530 VAL CB C 530 34.150 34.150 34.002 0.149 18462 10922 1 15 . 1 1 530 530 VAL H H 530 8.054 8.054 8.147 -0.093 18462 10923 1 15 . 1 1 531 531 PHE N N 531 122.568 122.568 126.142 -3.574 18462 10924 1 15 . 1 1 531 531 PHE C C 531 174.185 174.185 174.691 -0.506 18462 10925 1 15 . 1 1 531 531 PHE CA C 531 55.586 55.586 55.462 0.124 18462 10926 1 15 . 1 1 531 531 PHE CB C 531 41.184 41.184 40.718 0.466 18462 10927 1 15 . 1 1 531 531 PHE H H 531 8.167 8.167 8.870 -0.703 18462 10928 1 15 . 1 1 532 532 PRO HA H 532 4.359 4.359 3.991 0.368 18462 10929 1 15 . 1 1 532 532 PRO CA C 532 62.216 62.216 62.889 -0.673 18462 10930 1 15 . 1 1 532 532 PRO CB C 532 29.930 29.930 31.948 -2.018 18462 10931 1 15 . 1 1 533 533 LEU N N 533 122.335 122.335 117.349 4.986 18462 10932 1 15 . 1 1 533 533 LEU HA H 533 4.086 4.086 4.261 -0.175 18462 10933 1 15 . 1 1 533 533 LEU C C 533 175.091 175.091 176.870 -1.779 18462 10934 1 15 . 1 1 533 533 LEU CA C 533 55.006 55.006 53.102 1.904 18462 10935 1 15 . 1 1 533 533 LEU CB C 533 43.529 43.529 44.568 -1.038 18462 10936 1 15 . 1 1 533 533 LEU H H 533 6.587 6.587 7.568 -0.981 18462 10937 1 15 . 1 1 534 534 ALA N N 534 126.722 126.722 125.603 1.119 18462 10938 1 15 . 1 1 534 534 ALA HA H 534 2.993 2.993 3.574 -0.581 18462 10939 1 15 . 1 1 534 534 ALA C C 534 175.439 175.439 179.012 -3.573 18462 10940 1 15 . 1 1 534 534 ALA CA C 534 54.537 54.537 54.757 -0.220 18462 10941 1 15 . 1 1 534 534 ALA CB C 534 18.452 18.452 17.502 0.950 18462 10942 1 15 . 1 1 534 534 ALA H H 534 7.698 7.698 7.997 -0.299 18462 10943 1 15 . 1 1 535 535 GLU N N 535 119.354 119.354 118.689 0.665 18462 10944 1 15 . 1 1 535 535 GLU HA H 535 4.675 4.675 4.025 0.650 18462 10945 1 15 . 1 1 535 535 GLU C C 535 180.126 180.126 178.015 2.111 18462 10946 1 15 . 1 1 535 535 GLU CA C 535 58.526 58.526 59.053 -0.527 18462 10947 1 15 . 1 1 535 535 GLU H H 535 9.535 9.535 8.727 0.808 18462 10948 1 15 . 1 1 536 536 TYR N N 536 114.592 114.592 119.294 -4.702 18462 10949 1 15 . 1 1 536 536 TYR HA H 536 4.368 4.368 4.130 0.238 18462 10950 1 15 . 1 1 536 536 TYR C C 536 178.004 178.004 177.779 0.225 18462 10951 1 15 . 1 1 536 536 TYR CA C 536 56.179 56.179 58.625 -2.446 18462 10952 1 15 . 1 1 536 536 TYR CB C 536 35.556 35.556 37.091 -1.535 18462 10953 1 15 . 1 1 536 536 TYR H H 536 6.552 6.552 8.213 -1.661 18462 10954 1 15 . 1 1 537 537 ARG N N 537 119.820 119.820 119.339 0.481 18462 10955 1 15 . 1 1 537 537 ARG HA H 537 3.209 3.209 3.660 -0.451 18462 10956 1 15 . 1 1 537 537 ARG C C 537 179.469 179.469 178.225 1.244 18462 10957 1 15 . 1 1 537 537 ARG CA C 537 59.131 59.131 59.995 -0.864 18462 10958 1 15 . 1 1 537 537 ARG CB C 537 27.179 27.179 29.849 -2.670 18462 10959 1 15 . 1 1 537 537 ARG H H 537 7.016 7.016 7.368 -0.352 18462 10960 1 15 . 1 1 538 538 THR N N 538 120.080 120.080 117.074 3.006 18462 10961 1 15 . 1 1 538 538 THR HA H 538 3.939 3.939 4.060 -0.121 18462 10962 1 15 . 1 1 538 538 THR C C 538 177.538 177.538 176.858 0.680 18462 10963 1 15 . 1 1 538 538 THR CA C 538 66.026 66.026 67.091 -1.065 18462 10964 1 15 . 1 1 538 538 THR CB C 538 66.964 66.964 68.430 -1.466 18462 10965 1 15 . 1 1 538 538 THR H H 538 8.410 8.410 8.216 0.194 18462 10966 1 15 . 1 1 539 539 LYS N N 539 117.252 117.252 120.126 -2.874 18462 10967 1 15 . 1 1 539 539 LYS HA H 539 4.054 4.054 4.063 -0.009 18462 10968 1 15 . 1 1 539 539 LYS C C 539 176.139 176.139 178.910 -2.771 18462 10969 1 15 . 1 1 539 539 LYS CA C 539 57.116 57.116 58.739 -1.623 18462 10970 1 15 . 1 1 539 539 LYS CB C 539 31.859 31.859 31.726 0.133 18462 10971 1 15 . 1 1 539 539 LYS H H 539 8.012 8.012 8.409 -0.397 18462 10972 1 15 . 1 1 540 540 HIS N N 540 118.983 118.983 119.880 -0.897 18462 10973 1 15 . 1 1 540 540 HIS HA H 540 4.548 4.548 4.207 0.341 18462 10974 1 15 . 1 1 540 540 HIS C C 540 179.568 179.568 177.274 2.294 18462 10975 1 15 . 1 1 540 540 HIS CA C 540 58.758 58.758 59.781 -1.022 18462 10976 1 15 . 1 1 540 540 HIS CB C 540 28.260 28.260 29.725 -1.465 18462 10977 1 15 . 1 1 540 540 HIS H H 540 7.536 7.536 8.175 -0.639 18462 10978 1 15 . 1 1 541 541 GLU N N 541 122.073 122.073 119.645 2.428 18462 10979 1 15 . 1 1 541 541 GLU HA H 541 4.215 4.215 3.899 0.316 18462 10980 1 15 . 1 1 541 541 GLU C C 541 177.829 177.829 178.818 -0.989 18462 10981 1 15 . 1 1 541 541 GLU CA C 541 61.181 61.181 59.122 2.059 18462 10982 1 15 . 1 1 541 541 GLU CB C 541 29.712 29.712 29.629 0.083 18462 10983 1 15 . 1 1 541 541 GLU H H 541 9.540 9.540 8.387 1.153 18462 10984 1 15 . 1 1 542 542 ILE N N 542 121.307 121.307 121.457 -0.150 18462 10985 1 15 . 1 1 542 542 ILE HA H 542 4.335 4.335 3.704 0.631 18462 10986 1 15 . 1 1 542 542 ILE C C 542 179.666 179.666 177.750 1.916 18462 10987 1 15 . 1 1 542 542 ILE CA C 542 61.806 61.806 65.646 -3.840 18462 10988 1 15 . 1 1 542 542 ILE CB C 542 36.729 36.729 38.090 -1.361 18462 10989 1 15 . 1 1 542 542 ILE H H 542 8.275 8.275 8.506 -0.231 18462 10990 1 15 . 1 1 543 543 HIS N N 543 118.514 118.514 118.965 -0.451 18462 10991 1 15 . 1 1 543 543 HIS HA H 543 4.257 4.257 4.212 0.045 18462 10992 1 15 . 1 1 543 543 HIS C C 543 178.283 178.283 177.114 1.169 18462 10993 1 15 . 1 1 543 543 HIS CA C 543 58.758 58.758 58.564 0.194 18462 10994 1 15 . 1 1 543 543 HIS CB C 543 26.882 26.882 29.583 -2.701 18462 10995 1 15 . 1 1 543 543 HIS H H 543 7.744 7.744 7.873 -0.129 18462 10996 1 15 . 1 1 544 544 HIS N N 544 115.805 115.805 116.051 -0.246 18462 10997 1 15 . 1 1 544 544 HIS HA H 544 4.317 4.317 4.360 -0.043 18462 10998 1 15 . 1 1 544 544 HIS C C 544 178.058 178.058 176.347 1.711 18462 10999 1 15 . 1 1 544 544 HIS CA C 544 58.054 58.054 58.301 -0.247 18462 11000 1 15 . 1 1 544 544 HIS CB C 544 36.882 36.882 29.720 7.162 18462 11001 1 15 . 1 1 544 544 HIS H H 544 7.537 7.537 7.927 -0.390 18462 11002 1 15 . 1 1 545 545 THR N N 545 109.469 109.469 111.610 -2.141 18462 11003 1 15 . 1 1 545 545 THR HA H 545 4.184 4.184 4.468 -0.284 18462 11004 1 15 . 1 1 545 545 THR C C 545 177.277 177.277 175.269 2.008 18462 11005 1 15 . 1 1 545 545 THR CA C 545 62.509 62.509 62.962 -0.453 18462 11006 1 15 . 1 1 545 545 THR CB C 545 68.839 68.839 70.661 -1.822 18462 11007 1 15 . 1 1 545 545 THR H H 545 7.991 7.991 7.515 0.476 18462 11008 1 15 . 1 1 546 546 GLY N N 546 113.407 113.407 110.103 3.304 18462 11009 1 15 . 1 1 546 546 GLY C C 546 177.501 177.501 173.644 3.857 18462 11010 1 15 . 1 1 546 546 GLY CA C 546 44.935 44.935 45.097 -0.162 18462 11011 1 15 . 1 1 546 546 GLY H H 546 8.530 8.530 8.285 0.245 18462 11012 1 15 . 1 1 547 547 GLU N N 547 123.901 123.901 120.501 3.400 18462 11013 1 15 . 1 1 547 547 GLU HA H 547 3.913 3.913 4.127 -0.214 18462 11014 1 15 . 1 1 547 547 GLU C C 547 173.687 173.687 175.749 -2.062 18462 11015 1 15 . 1 1 547 547 GLU CA C 547 56.413 56.413 56.514 -0.102 18462 11016 1 15 . 1 1 547 547 GLU CB C 547 29.123 29.123 30.489 -1.366 18462 11017 1 15 . 1 1 547 547 GLU H H 547 7.301 7.301 7.626 -0.325 18462 11018 1 15 . 1 1 548 548 ARG N N 548 128.505 128.505 126.367 2.138 18462 11019 1 15 . 1 1 548 548 ARG HA H 548 4.444 4.444 4.646 -0.202 18462 11020 1 15 . 1 1 548 548 ARG C C 548 175.180 175.180 176.857 -1.677 18462 11021 1 15 . 1 1 548 548 ARG CA C 548 55.059 55.059 55.712 -0.653 18462 11022 1 15 . 1 1 548 548 ARG CB C 548 29.227 29.227 29.634 -0.407 18462 11023 1 15 . 1 1 548 548 ARG H H 548 8.752 8.752 8.564 0.188 18462 11024 1 15 . 1 1 549 549 ARG N N 549 121.815 121.815 123.102 -1.287 18462 11025 1 15 . 1 1 549 549 ARG HA H 549 4.205 4.205 4.560 -0.355 18462 11026 1 15 . 1 1 549 549 ARG C C 549 175.850 175.850 176.003 -0.153 18462 11027 1 15 . 1 1 549 549 ARG CA C 549 57.350 57.350 57.185 0.165 18462 11028 1 15 . 1 1 549 549 ARG CB C 549 32.980 32.980 32.606 0.374 18462 11029 1 15 . 1 1 549 549 ARG H H 549 9.440 9.440 8.625 0.815 18462 11030 1 15 . 1 1 550 550 TYR N N 550 116.087 116.087 120.771 -4.684 18462 11031 1 15 . 1 1 550 550 TYR C C 550 176.129 176.129 174.960 1.169 18462 11032 1 15 . 1 1 550 550 TYR CA C 550 58.169 58.169 57.646 0.523 18462 11033 1 15 . 1 1 550 550 TYR CB C 550 38.994 38.994 36.812 2.182 18462 11034 1 15 . 1 1 550 550 TYR H H 550 8.287 8.287 8.517 -0.230 18462 11035 1 15 . 1 1 551 551 GLN N N 551 125.096 125.096 124.031 1.065 18462 11036 1 15 . 1 1 551 551 GLN HA H 551 5.275 5.275 4.664 0.611 18462 11037 1 15 . 1 1 551 551 GLN C C 551 175.080 175.080 174.711 0.369 18462 11038 1 15 . 1 1 551 551 GLN CA C 551 53.610 53.610 54.699 -1.089 18462 11039 1 15 . 1 1 551 551 GLN CB C 551 31.152 31.152 31.049 0.103 18462 11040 1 15 . 1 1 551 551 GLN H H 551 9.656 9.656 9.007 0.649 18462 11041 1 15 . 1 1 552 552 CYS N N 552 128.697 128.697 125.498 3.199 18462 11042 1 15 . 1 1 552 552 CYS HA H 552 4.584 4.584 4.986 -0.402 18462 11043 1 15 . 1 1 552 552 CYS C C 552 175.231 175.231 175.522 -0.291 18462 11044 1 15 . 1 1 552 552 CYS CA C 552 59.461 59.461 59.339 0.122 18462 11045 1 15 . 1 1 552 552 CYS CB C 552 29.695 29.695 28.593 1.102 18462 11046 1 15 . 1 1 552 552 CYS H H 552 9.427 9.427 8.823 0.604 18462 11047 1 15 . 1 1 553 553 LEU N N 553 130.168 130.168 124.478 5.690 18462 11048 1 15 . 1 1 553 553 LEU HA H 553 4.396 4.396 4.565 -0.169 18462 11049 1 15 . 1 1 553 553 LEU C C 553 177.402 177.402 177.877 -0.475 18462 11050 1 15 . 1 1 553 553 LEU CA C 553 55.710 55.710 56.010 -0.300 18462 11051 1 15 . 1 1 553 553 LEU CB C 553 40.246 40.246 42.446 -2.200 18462 11052 1 15 . 1 1 553 553 LEU H H 553 8.632 8.632 9.111 -0.479 18462 11053 1 15 . 1 1 554 554 ALA N N 554 125.048 125.048 123.055 1.993 18462 11054 1 15 . 1 1 554 554 ALA HA H 554 4.295 4.295 4.022 0.273 18462 11055 1 15 . 1 1 554 554 ALA C C 554 177.657 177.657 178.438 -0.781 18462 11056 1 15 . 1 1 554 554 ALA CA C 554 53.610 53.610 54.475 -0.865 18462 11057 1 15 . 1 1 554 554 ALA CB C 554 16.577 16.577 18.873 -2.296 18462 11058 1 15 . 1 1 554 554 ALA H H 554 8.847 8.847 8.332 0.515 18462 11059 1 15 . 1 1 555 555 CYS N N 555 113.388 113.388 112.175 1.213 18462 11060 1 15 . 1 1 555 555 CYS HA H 555 5.299 5.299 5.006 0.293 18462 11061 1 15 . 1 1 555 555 CYS C C 555 178.854 178.854 175.961 2.893 18462 11062 1 15 . 1 1 555 555 CYS CA C 555 57.820 57.820 57.356 0.464 18462 11063 1 15 . 1 1 555 555 CYS CB C 555 31.665 31.665 29.799 1.866 18462 11064 1 15 . 1 1 555 555 CYS H H 555 8.146 8.146 7.969 0.177 18462 11065 1 15 . 1 1 556 556 GLY N N 556 114.264 114.264 109.416 4.848 18462 11066 1 15 . 1 1 556 556 GLY C C 556 176.084 176.084 174.772 1.312 18462 11067 1 15 . 1 1 556 556 GLY CA C 556 45.639 45.639 45.135 0.504 18462 11068 1 15 . 1 1 556 556 GLY H H 556 8.104 8.104 8.341 -0.237 18462 11069 1 15 . 1 1 557 557 LYS N N 557 123.318 123.318 121.969 1.349 18462 11070 1 15 . 1 1 557 557 LYS HA H 557 4.110 4.110 3.953 0.157 18462 11071 1 15 . 1 1 557 557 LYS C C 557 174.300 174.300 175.834 -1.534 18462 11072 1 15 . 1 1 557 557 LYS CA C 557 57.585 57.585 57.038 0.546 18462 11073 1 15 . 1 1 557 557 LYS CB C 557 33.447 33.447 32.411 1.036 18462 11074 1 15 . 1 1 557 557 LYS H H 557 8.043 8.043 7.772 0.271 18462 11075 1 15 . 1 1 558 558 SER N N 558 115.947 115.947 118.051 -2.104 18462 11076 1 15 . 1 1 558 558 SER HA H 558 5.661 5.661 4.960 0.701 18462 11077 1 15 . 1 1 558 558 SER C C 558 174.321 174.321 173.145 1.176 18462 11078 1 15 . 1 1 558 558 SER CA C 558 56.179 56.179 57.180 -1.001 18462 11079 1 15 . 1 1 558 558 SER CB C 558 65.088 65.088 65.140 -0.052 18462 11080 1 15 . 1 1 558 558 SER H H 558 7.864 7.864 8.112 -0.248 18462 11081 1 15 . 1 1 559 559 PHE N N 559 117.815 117.815 120.733 -2.918 18462 11082 1 15 . 1 1 559 559 PHE HA H 559 4.781 4.781 4.746 0.035 18462 11083 1 15 . 1 1 559 559 PHE C C 559 173.632 173.632 175.781 -2.149 18462 11084 1 15 . 1 1 559 559 PHE CA C 559 56.687 56.687 56.927 -0.240 18462 11085 1 15 . 1 1 559 559 PHE CB C 559 44.232 44.232 41.983 2.249 18462 11086 1 15 . 1 1 559 559 PHE H H 559 9.488 9.488 8.916 0.572 18462 11087 1 15 . 1 1 560 560 ILE N N 560 118.092 118.092 119.498 -1.406 18462 11088 1 15 . 1 1 560 560 ILE HA H 560 4.470 4.470 4.272 0.198 18462 11089 1 15 . 1 1 560 560 ILE C C 560 175.986 175.986 174.682 1.304 18462 11090 1 15 . 1 1 560 560 ILE CA C 560 62.040 62.040 62.856 -0.816 18462 11091 1 15 . 1 1 560 560 ILE CB C 560 39.308 39.308 38.420 0.888 18462 11092 1 15 . 1 1 560 560 ILE H H 560 9.306 9.306 8.567 0.739 18462 11093 1 15 . 1 1 561 561 ASN N N 561 114.751 114.751 112.554 2.197 18462 11094 1 15 . 1 1 561 561 ASN HA H 561 4.683 4.683 4.469 0.214 18462 11095 1 15 . 1 1 561 561 ASN C C 561 175.350 175.350 173.957 1.393 18462 11096 1 15 . 1 1 561 561 ASN CA C 561 50.797 50.797 51.288 -0.491 18462 11097 1 15 . 1 1 561 561 ASN CB C 561 39.777 39.777 39.696 0.081 18462 11098 1 15 . 1 1 561 561 ASN H H 561 7.387 7.387 7.543 -0.156 18462 11099 1 15 . 1 1 562 562 TYR N N 562 118.833 118.833 120.329 -1.496 18462 11100 1 15 . 1 1 562 562 TYR C C 562 172.730 172.730 176.873 -4.143 18462 11101 1 15 . 1 1 562 562 TYR CA C 562 59.907 59.907 62.242 -2.334 18462 11102 1 15 . 1 1 562 562 TYR CB C 562 38.480 38.480 38.406 0.074 18462 11103 1 15 . 1 1 562 562 TYR H H 562 8.243 8.243 8.367 -0.124 18462 11104 1 15 . 1 1 563 563 GLN N N 563 119.525 119.525 117.857 1.668 18462 11105 1 15 . 1 1 563 563 GLN HA H 563 3.720 3.720 3.821 -0.101 18462 11106 1 15 . 1 1 563 563 GLN C C 563 176.326 176.326 178.187 -1.861 18462 11107 1 15 . 1 1 563 563 GLN CA C 563 61.102 61.102 59.623 1.479 18462 11108 1 15 . 1 1 563 563 GLN CB C 563 25.450 25.450 27.608 -2.158 18462 11109 1 15 . 1 1 563 563 GLN H H 563 8.524 8.524 8.362 0.162 18462 11110 1 15 . 1 1 564 564 PHE N N 564 118.625 118.625 119.833 -1.208 18462 11111 1 15 . 1 1 564 564 PHE HA H 564 4.427 4.427 4.071 0.356 18462 11112 1 15 . 1 1 564 564 PHE C C 564 179.429 179.429 177.396 2.033 18462 11113 1 15 . 1 1 564 564 PHE CA C 564 59.461 59.461 60.659 -1.198 18462 11114 1 15 . 1 1 564 564 PHE CB C 564 38.488 38.488 38.642 -0.154 18462 11115 1 15 . 1 1 564 564 PHE H H 564 8.904 8.904 8.782 0.122 18462 11116 1 15 . 1 1 565 565 MET N N 565 120.996 120.996 120.332 0.664 18462 11117 1 15 . 1 1 565 565 MET HA H 565 3.720 3.720 3.336 0.384 18462 11118 1 15 . 1 1 565 565 MET C C 565 178.642 178.642 177.761 0.881 18462 11119 1 15 . 1 1 565 565 MET CA C 565 58.037 58.037 57.847 0.190 18462 11120 1 15 . 1 1 565 565 MET H H 565 7.153 7.153 7.701 -0.548 18462 11121 1 15 . 1 1 566 566 SER N N 566 115.706 115.706 114.206 1.500 18462 11122 1 15 . 1 1 566 566 SER HA H 566 3.720 3.720 3.818 -0.098 18462 11123 1 15 . 1 1 566 566 SER C C 566 176.710 176.710 176.620 0.090 18462 11124 1 15 . 1 1 566 566 SER CA C 566 60.633 60.633 61.217 -0.584 18462 11125 1 15 . 1 1 566 566 SER CB C 566 62.040 62.040 62.294 -0.254 18462 11126 1 15 . 1 1 566 566 SER H H 566 8.918 8.918 8.105 0.813 18462 11127 1 15 . 1 1 567 567 SER N N 567 114.335 114.335 117.762 -3.427 18462 11128 1 15 . 1 1 567 567 SER HA H 567 4.212 4.212 3.964 0.248 18462 11129 1 15 . 1 1 567 567 SER C C 567 176.849 176.849 176.116 0.733 18462 11130 1 15 . 1 1 567 567 SER CA C 567 60.868 60.868 61.554 -0.687 18462 11131 1 15 . 1 1 567 567 SER CB C 567 61.806 61.806 63.059 -1.253 18462 11132 1 15 . 1 1 567 567 SER H H 567 7.933 7.933 7.585 0.348 18462 11133 1 15 . 1 1 568 568 HIS N N 568 120.659 120.659 121.569 -0.910 18462 11134 1 15 . 1 1 568 568 HIS HA H 568 4.327 4.327 4.204 0.123 18462 11135 1 15 . 1 1 568 568 HIS C C 568 177.652 177.652 177.445 0.207 18462 11136 1 15 . 1 1 568 568 HIS CA C 568 58.992 58.992 59.552 -0.560 18462 11137 1 15 . 1 1 568 568 HIS CB C 568 27.234 27.234 29.418 -2.184 18462 11138 1 15 . 1 1 568 568 HIS H H 568 7.594 7.594 8.168 -0.574 18462 11139 1 15 . 1 1 569 569 ILE N N 569 120.858 120.858 120.252 0.606 18462 11140 1 15 . 1 1 569 569 ILE HA H 569 3.562 3.562 3.655 -0.093 18462 11141 1 15 . 1 1 569 569 ILE C C 569 175.925 175.925 177.973 -2.048 18462 11142 1 15 . 1 1 569 569 ILE CA C 569 66.729 66.729 65.442 1.286 18462 11143 1 15 . 1 1 569 569 ILE CB C 569 37.198 37.198 37.883 -0.685 18462 11144 1 15 . 1 1 569 569 ILE H H 569 8.640 8.640 8.221 0.419 18462 11145 1 15 . 1 1 570 570 LYS N N 570 118.876 118.876 120.074 -1.198 18462 11146 1 15 . 1 1 570 570 LYS HA H 570 4.329 4.329 3.938 0.391 18462 11147 1 15 . 1 1 570 570 LYS C C 570 178.927 178.927 179.254 -0.327 18462 11148 1 15 . 1 1 570 570 LYS CA C 570 59.461 59.461 59.919 -0.459 18462 11149 1 15 . 1 1 570 570 LYS CB C 570 32.743 32.743 32.326 0.417 18462 11150 1 15 . 1 1 570 570 LYS H H 570 8.463 8.463 8.207 0.256 18462 11151 1 15 . 1 1 571 571 SER N N 571 112.612 112.612 113.923 -1.311 18462 11152 1 15 . 1 1 571 571 SER HA H 571 4.323 4.323 4.234 0.089 18462 11153 1 15 . 1 1 571 571 SER C C 571 179.258 179.258 175.796 3.462 18462 11154 1 15 . 1 1 571 571 SER CA C 571 59.930 59.930 61.568 -1.638 18462 11155 1 15 . 1 1 571 571 SER CB C 571 62.978 62.978 63.266 -0.288 18462 11156 1 15 . 1 1 571 571 SER H H 571 7.997 7.997 7.972 0.025 18462 11157 1 15 . 1 1 572 572 VAL N N 572 120.208 120.208 119.920 0.288 18462 11158 1 15 . 1 1 572 572 VAL HA H 572 3.789 3.789 3.780 0.009 18462 11159 1 15 . 1 1 572 572 VAL C C 572 176.245 176.245 176.964 -0.719 18462 11160 1 15 . 1 1 572 572 VAL CA C 572 63.916 63.916 64.651 -0.735 18462 11161 1 15 . 1 1 572 572 VAL CB C 572 31.337 31.337 31.833 -0.496 18462 11162 1 15 . 1 1 572 572 VAL H H 572 8.615 8.615 8.149 0.466 18462 11163 1 15 . 1 1 573 573 HIS N N 573 113.735 113.735 116.793 -3.058 18462 11164 1 15 . 1 1 573 573 HIS HA H 573 5.102 5.102 4.658 0.444 18462 11165 1 15 . 1 1 573 573 HIS C C 573 177.042 177.042 175.662 1.380 18462 11166 1 15 . 1 1 573 573 HIS CA C 573 53.376 53.376 56.072 -2.696 18462 11167 1 15 . 1 1 573 573 HIS CB C 573 28.210 28.210 31.213 -3.003 18462 11168 1 15 . 1 1 573 573 HIS H H 573 7.067 7.067 7.566 -0.499 18462 11169 1 15 . 1 1 574 574 SER N N 574 112.537 112.537 112.464 0.073 18462 11170 1 15 . 1 1 574 574 SER HA H 574 4.421 4.421 4.168 0.253 18462 11171 1 15 . 1 1 574 574 SER C C 574 174.525 174.525 173.841 0.684 18462 11172 1 15 . 1 1 574 574 SER CA C 574 58.054 58.054 59.785 -1.731 18462 11173 1 15 . 1 1 574 574 SER CB C 574 61.102 61.102 61.041 0.061 18462 11174 1 15 . 1 1 574 574 SER H H 574 7.325 7.325 8.373 -1.048 18462 11175 1 15 . 1 1 575 575 GLN N N 575 117.032 117.032 118.988 -1.956 18462 11176 1 15 . 1 1 575 575 GLN HA H 575 4.659 4.659 4.605 0.054 18462 11177 1 15 . 1 1 575 575 GLN C C 575 173.993 173.993 174.209 -0.216 18462 11178 1 15 . 1 1 575 575 GLN CA C 575 53.376 53.376 54.394 -1.018 18462 11179 1 15 . 1 1 575 575 GLN CB C 575 32.743 32.743 31.624 1.119 18462 11180 1 15 . 1 1 575 575 GLN H H 575 7.480 7.480 7.438 0.042 18462 11181 1 15 . 1 1 576 576 ASP N N 576 118.953 118.953 119.894 -0.941 18462 11182 1 15 . 1 1 576 576 ASP HA H 576 4.992 4.992 5.015 -0.023 18462 11183 1 15 . 1 1 576 576 ASP C C 576 173.387 173.387 175.306 -1.919 18462 11184 1 15 . 1 1 576 576 ASP CA C 576 50.094 50.094 50.691 -0.597 18462 11185 1 15 . 1 1 576 576 ASP CB C 576 41.301 41.301 41.824 -0.523 18462 11186 1 15 . 1 1 576 576 ASP H H 576 8.173 8.173 8.581 -0.408 18462 11187 1 15 . 1 1 577 577 PRO HA H 577 4.629 4.629 4.881 -0.252 18462 11188 1 15 . 1 1 577 577 PRO CA C 577 63.212 63.212 63.199 0.013 18462 11189 1 15 . 1 1 577 577 PRO CB C 577 31.806 31.806 32.403 -0.597 18462 11190 1 15 . 1 1 578 578 SER N N 578 114.986 114.986 115.285 -0.299 18462 11191 1 15 . 1 1 578 578 SER HA H 578 4.820 4.820 4.363 0.457 18462 11192 1 15 . 1 1 578 578 SER C C 578 176.301 176.301 175.380 0.921 18462 11193 1 15 . 1 1 578 578 SER CA C 578 58.054 58.054 60.388 -2.334 18462 11194 1 15 . 1 1 578 578 SER CB C 578 63.447 63.447 63.688 -0.241 18462 11195 1 15 . 1 1 578 578 SER H H 578 8.387 8.387 8.538 -0.151 18462 11196 1 15 . 1 1 579 579 GLY N N 579 111.279 111.279 107.871 3.408 18462 11197 1 15 . 1 1 579 579 GLY C C 579 175.262 175.262 172.537 2.725 18462 11198 1 15 . 1 1 579 579 GLY CA C 579 44.935 44.935 44.336 0.599 18462 11199 1 15 . 1 1 579 579 GLY H H 579 8.554 8.554 7.884 0.670 18462 11200 1 15 . 1 1 580 580 ASP N N 580 121.402 121.402 120.610 0.792 18462 11201 1 15 . 1 1 580 580 ASP HA H 580 4.700 4.700 4.572 0.128 18462 11202 1 15 . 1 1 580 580 ASP C C 580 174.329 174.329 176.113 -1.784 18462 11203 1 15 . 1 1 580 580 ASP CA C 580 53.845 53.845 55.048 -1.203 18462 11204 1 15 . 1 1 580 580 ASP CB C 580 40.012 40.012 39.672 0.340 18462 11205 1 15 . 1 1 580 580 ASP H H 580 8.386 8.386 8.556 -0.170 18462 11206 1 15 . 1 1 581 581 SER N N 581 115.668 115.668 116.710 -1.042 18462 11207 1 15 . 1 1 581 581 SER HA H 581 4.421 4.421 4.301 0.120 18462 11208 1 15 . 1 1 581 581 SER C C 581 176.108 176.108 173.913 2.195 18462 11209 1 15 . 1 1 581 581 SER CA C 581 58.054 58.054 59.135 -1.081 18462 11210 1 15 . 1 1 581 581 SER CB C 581 63.212 63.212 63.601 -0.389 18462 11211 1 15 . 1 1 581 581 SER H H 581 8.015 8.015 8.274 -0.259 18462 11212 1 15 . 1 1 582 582 LYS N N 582 120.544 120.544 116.284 4.260 18462 11213 1 15 . 1 1 582 582 LYS HA H 582 4.329 4.329 3.987 0.342 18462 11214 1 15 . 1 1 582 582 LYS C C 582 174.302 174.302 175.250 -0.948 18462 11215 1 15 . 1 1 582 582 LYS CA C 582 55.944 55.944 57.068 -1.124 18462 11216 1 15 . 1 1 582 582 LYS CB C 582 30.868 30.868 29.586 1.282 18462 11217 1 15 . 1 1 582 582 LYS H H 582 8.453 8.453 8.236 0.217 18462 11218 1 15 . 1 1 583 583 LEU N N 583 119.514 119.514 115.372 4.142 18462 11219 1 15 . 1 1 583 583 LEU HA H 583 4.458 4.458 4.556 -0.098 18462 11220 1 15 . 1 1 583 583 LEU C C 583 176.924 176.924 175.777 1.147 18462 11221 1 15 . 1 1 583 583 LEU CA C 583 54.303 54.303 54.971 -0.668 18462 11222 1 15 . 1 1 583 583 LEU CB C 583 43.060 43.060 43.657 -0.597 18462 11223 1 15 . 1 1 583 583 LEU H H 583 8.391 8.391 8.115 0.276 18462 11224 1 15 . 1 1 584 584 TYR N N 584 115.291 115.291 115.113 0.178 18462 11225 1 15 . 1 1 584 584 TYR HA H 584 5.714 5.714 5.611 0.103 18462 11226 1 15 . 1 1 584 584 TYR C C 584 175.675 175.675 173.684 1.991 18462 11227 1 15 . 1 1 584 584 TYR CA C 584 54.303 54.303 55.589 -1.286 18462 11228 1 15 . 1 1 584 584 TYR CB C 584 42.420 42.420 42.028 0.392 18462 11229 1 15 . 1 1 584 584 TYR H H 584 7.625 7.625 7.391 0.234 18462 11230 1 15 . 1 1 585 585 ARG N N 585 120.321 120.321 121.650 -1.329 18462 11231 1 15 . 1 1 585 585 ARG HA H 585 4.407 4.407 4.462 -0.055 18462 11232 1 15 . 1 1 585 585 ARG C C 585 172.342 172.342 173.936 -1.594 18462 11233 1 15 . 1 1 585 585 ARG CA C 585 53.376 53.376 54.382 -1.006 18462 11234 1 15 . 1 1 585 585 ARG CB C 585 33.916 33.916 34.474 -0.558 18462 11235 1 15 . 1 1 585 585 ARG H H 585 9.141 9.141 9.006 0.135 18462 11236 1 15 . 1 1 586 586 LEU N N 586 129.013 129.013 128.366 0.647 18462 11237 1 15 . 1 1 586 586 LEU HA H 586 4.768 4.768 4.725 0.043 18462 11238 1 15 . 1 1 586 586 LEU C C 586 173.449 173.449 175.483 -2.034 18462 11239 1 15 . 1 1 586 586 LEU CA C 586 52.438 52.438 53.541 -1.103 18462 11240 1 15 . 1 1 586 586 LEU CB C 586 41.653 41.653 42.778 -1.125 18462 11241 1 15 . 1 1 586 586 LEU H H 586 8.581 8.581 8.559 0.022 18462 11242 1 15 . 1 1 587 587 HIS N N 587 127.447 127.447 126.070 1.377 18462 11243 1 15 . 1 1 587 587 HIS HA H 587 4.650 4.650 4.834 -0.184 18462 11244 1 15 . 1 1 587 587 HIS C C 587 175.512 175.512 173.437 2.075 18462 11245 1 15 . 1 1 587 587 HIS CA C 587 55.544 55.544 55.229 0.315 18462 11246 1 15 . 1 1 587 587 HIS CB C 587 29.930 29.930 30.486 -0.556 18462 11247 1 15 . 1 1 587 587 HIS H H 587 9.132 9.132 8.833 0.299 18462 11248 1 15 . 1 1 588 588 PRO HA H 588 4.441 4.441 4.278 0.163 18462 11249 1 15 . 1 1 588 588 PRO CA C 588 62.509 62.509 63.795 -1.286 18462 11250 1 15 . 1 1 588 588 PRO CB C 588 31.688 31.688 32.244 -0.556 18462 11251 1 15 . 1 1 589 589 CYS N N 589 124.057 124.057 121.435 2.622 18462 11252 1 15 . 1 1 589 589 CYS HA H 589 4.275 4.275 4.502 -0.227 18462 11253 1 15 . 1 1 589 589 CYS C C 589 174.401 174.401 175.386 -0.985 18462 11254 1 15 . 1 1 589 589 CYS CA C 589 58.289 58.289 58.694 -0.405 18462 11255 1 15 . 1 1 589 589 CYS CB C 589 26.413 26.413 27.682 -1.269 18462 11256 1 15 . 1 1 589 589 CYS H H 589 9.475 9.475 8.501 0.974 18462 11257 1 15 . 1 1 590 590 ARG N N 590 130.942 130.942 127.879 3.063 18462 11258 1 15 . 1 1 590 590 ARG HA H 590 4.689 4.689 4.408 0.281 18462 11259 1 15 . 1 1 590 590 ARG C C 590 175.091 175.091 177.648 -2.557 18462 11260 1 15 . 1 1 590 590 ARG CA C 590 55.241 55.241 57.064 -1.823 18462 11261 1 15 . 1 1 590 590 ARG CB C 590 30.633 30.633 31.014 -0.381 18462 11262 1 15 . 1 1 590 590 ARG H H 590 7.227 7.227 9.233 -2.006 18462 11263 1 15 . 1 1 591 591 SER N N 591 117.243 117.243 115.777 1.466 18462 11264 1 15 . 1 1 591 591 SER HA H 591 4.342 4.342 4.296 0.046 18462 11265 1 15 . 1 1 591 591 SER C C 591 178.367 178.367 174.896 3.471 18462 11266 1 15 . 1 1 591 591 SER CA C 591 59.695 59.695 60.724 -1.029 18462 11267 1 15 . 1 1 591 591 SER CB C 591 61.923 61.923 64.084 -2.161 18462 11268 1 15 . 1 1 591 591 SER H H 591 9.571 9.571 8.768 0.803 18462 11269 1 15 . 1 1 592 592 LEU N N 592 121.308 121.308 116.654 4.654 18462 11270 1 15 . 1 1 592 592 LEU HA H 592 4.778 4.778 4.755 0.023 18462 11271 1 15 . 1 1 592 592 LEU C C 592 173.260 173.260 175.120 -1.860 18462 11272 1 15 . 1 1 592 592 LEU CA C 592 52.846 52.846 53.656 -0.810 18462 11273 1 15 . 1 1 592 592 LEU CB C 592 45.404 45.404 43.754 1.650 18462 11274 1 15 . 1 1 592 592 LEU H H 592 7.369 7.369 7.301 0.068 18462 11275 1 15 . 1 1 593 593 GLN N N 593 122.109 122.109 119.830 2.279 18462 11276 1 15 . 1 1 593 593 GLN HA H 593 4.564 4.564 4.519 0.045 18462 11277 1 15 . 1 1 593 593 GLN C C 593 175.827 175.827 174.873 0.954 18462 11278 1 15 . 1 1 593 593 GLN CA C 593 54.303 54.303 55.383 -1.079 18462 11279 1 15 . 1 1 593 593 GLN CB C 593 26.882 26.882 28.523 -1.641 18462 11280 1 15 . 1 1 593 593 GLN H H 593 8.599 8.599 8.479 0.120 18462 11281 1 15 . 1 1 594 594 ILE N N 594 118.085 118.085 120.246 -2.161 18462 11282 1 15 . 1 1 594 594 ILE HA H 594 4.755 4.755 4.547 0.208 18462 11283 1 15 . 1 1 594 594 ILE C C 594 175.093 175.093 174.503 0.590 18462 11284 1 15 . 1 1 594 594 ILE CA C 594 58.831 58.831 58.626 0.206 18462 11285 1 15 . 1 1 594 594 ILE CB C 594 42.591 42.591 41.074 1.517 18462 11286 1 15 . 1 1 594 594 ILE H H 594 7.635 7.635 8.110 -0.475 18462 11287 1 15 . 1 1 595 595 ARG N N 595 123.800 123.800 121.297 2.503 18462 11288 1 15 . 1 1 595 595 ARG HA H 595 4.038 4.038 4.234 -0.196 18462 11289 1 15 . 1 1 595 595 ARG C C 595 175.440 175.440 175.660 -0.220 18462 11290 1 15 . 1 1 595 595 ARG CA C 595 56.386 56.386 56.500 -0.114 18462 11291 1 15 . 1 1 595 595 ARG CB C 595 30.516 30.516 30.406 0.110 18462 11292 1 15 . 1 1 595 595 ARG H H 595 9.075 9.075 8.296 0.779 18462 11293 1 15 . 1 1 596 596 GLN N N 596 124.290 124.290 123.171 1.119 18462 11294 1 15 . 1 1 596 596 GLN HA H 596 4.420 4.420 4.333 0.087 18462 11295 1 15 . 1 1 596 596 GLN C C 596 174.630 174.630 174.912 -0.282 18462 11296 1 15 . 1 1 596 596 GLN CA C 596 52.907 52.907 54.196 -1.289 18462 11297 1 15 . 1 1 596 596 GLN CB C 596 30.164 30.164 28.773 1.391 18462 11298 1 15 . 1 1 596 596 GLN H H 596 8.495 8.495 8.420 0.075 18462 11299 1 15 . 1 1 597 597 TYR N N 597 121.829 121.829 121.770 0.059 18462 11300 1 15 . 1 1 597 597 TYR HA H 597 4.767 4.767 4.122 0.645 18462 11301 1 15 . 1 1 597 597 TYR C C 597 175.453 175.453 177.056 -1.603 18462 11302 1 15 . 1 1 597 597 TYR CA C 597 57.467 57.467 58.417 -0.950 18462 11303 1 15 . 1 1 597 597 TYR CB C 597 38.839 38.839 38.483 0.356 18462 11304 1 15 . 1 1 597 597 TYR H H 597 7.966 7.966 8.110 -0.144 18462 11305 1 15 . 1 1 598 598 ALA N N 598 129.272 129.272 125.943 3.329 18462 11306 1 15 . 1 1 598 598 ALA HA H 598 4.191 4.191 4.016 0.175 18462 11307 1 15 . 1 1 598 598 ALA C C 598 177.425 177.425 178.123 -0.698 18462 11308 1 15 . 1 1 598 598 ALA CA C 598 54.040 54.040 54.786 -0.746 18462 11309 1 15 . 1 1 598 598 ALA CB C 598 17.749 17.749 18.338 -0.589 18462 11310 1 15 . 1 1 598 598 ALA H H 598 9.540 9.540 8.920 0.620 18462 11311 1 15 . 1 1 599 599 TYR N N 599 115.845 115.845 111.579 4.266 18462 11312 1 15 . 1 1 599 599 TYR HA H 599 4.560 4.560 4.397 0.163 18462 11313 1 15 . 1 1 599 599 TYR C C 599 173.276 173.276 175.846 -2.570 18462 11314 1 15 . 1 1 599 599 TYR CA C 599 58.172 58.172 58.816 -0.644 18462 11315 1 15 . 1 1 599 599 TYR CB C 599 36.432 36.432 37.763 -1.331 18462 11316 1 15 . 1 1 599 599 TYR H H 599 8.496 8.496 7.846 0.650 18462 11317 1 15 . 1 1 600 600 LEU N N 600 120.764 120.764 117.605 3.159 18462 11318 1 15 . 1 1 600 600 LEU HA H 600 4.260 4.260 4.406 -0.146 18462 11319 1 15 . 1 1 600 600 LEU C C 600 176.164 176.164 178.230 -2.066 18462 11320 1 15 . 1 1 600 600 LEU CA C 600 54.303 54.303 54.866 -0.563 18462 11321 1 15 . 1 1 600 600 LEU CB C 600 41.419 41.419 41.564 -0.145 18462 11322 1 15 . 1 1 600 600 LEU H H 600 7.299 7.299 7.621 -0.322 18462 11323 1 15 . 1 1 601 601 SER N N 601 114.419 114.419 113.144 1.275 18462 11324 1 15 . 1 1 601 601 SER HA H 601 4.418 4.418 4.414 0.004 18462 11325 1 15 . 1 1 601 601 SER C C 601 177.754 177.754 174.747 3.007 18462 11326 1 15 . 1 1 601 601 SER CA C 601 58.054 58.054 59.995 -1.940 18462 11327 1 15 . 1 1 601 601 SER CB C 601 63.212 63.212 64.118 -0.906 18462 11328 1 15 . 1 1 601 601 SER H H 601 7.896 7.896 7.875 0.021 18462 11329 1 15 . 1 1 602 602 ASP N N 602 122.293 122.293 120.616 1.677 18462 11330 1 15 . 1 1 602 602 ASP HA H 602 4.651 4.651 4.755 -0.104 18462 11331 1 15 . 1 1 602 602 ASP C C 602 174.087 174.087 174.446 -0.359 18462 11332 1 15 . 1 1 602 602 ASP CA C 602 53.845 53.845 53.550 0.296 18462 11333 1 15 . 1 1 602 602 ASP CB C 602 40.481 40.481 42.914 -2.433 18462 11334 1 15 . 1 1 602 602 ASP H H 602 8.257 8.257 7.608 0.649 18462 11335 1 15 . 1 1 603 603 ARG N N 603 121.398 121.398 122.628 -1.230 18462 11336 1 15 . 1 1 603 603 ARG HA H 603 4.454 4.454 4.656 -0.202 18462 11337 1 15 . 1 1 603 603 ARG C C 603 176.111 176.111 175.771 0.340 18462 11338 1 15 . 1 1 603 603 ARG CA C 603 55.241 55.241 55.508 -0.266 18462 11339 1 15 . 1 1 603 603 ARG CB C 603 30.164 30.164 31.373 -1.209 18462 11340 1 15 . 1 1 603 603 ARG H H 603 8.234 8.234 8.464 -0.230 18462 11341 1 16 . 1 1 473 473 ASN HA H 473 4.815 4.815 5.125 -0.310 18462 11342 1 16 . 1 1 473 473 ASN CA C 473 52.204 52.204 52.331 -0.127 18462 11343 1 16 . 1 1 473 473 ASN CB C 473 38.371 38.371 40.718 -2.347 18462 11344 1 16 . 1 1 474 474 LYS N N 474 122.150 122.150 121.892 0.258 18462 11345 1 16 . 1 1 474 474 LYS HA H 474 4.375 4.375 4.625 -0.250 18462 11346 1 16 . 1 1 474 474 LYS C C 474 174.965 174.965 176.129 -1.164 18462 11347 1 16 . 1 1 474 474 LYS CA C 474 55.944 55.944 56.360 -0.416 18462 11348 1 16 . 1 1 474 474 LYS CB C 474 32.405 32.405 33.657 -1.252 18462 11349 1 16 . 1 1 474 474 LYS H H 474 8.586 8.586 8.671 -0.085 18462 11350 1 16 . 1 1 475 475 ARG N N 475 122.278 122.278 121.252 1.026 18462 11351 1 16 . 1 1 475 475 ARG HA H 475 4.374 4.374 4.628 -0.254 18462 11352 1 16 . 1 1 475 475 ARG C C 475 176.695 176.695 175.594 1.101 18462 11353 1 16 . 1 1 475 475 ARG CA C 475 55.944 55.944 55.328 0.616 18462 11354 1 16 . 1 1 475 475 ARG CB C 475 30.164 30.164 32.087 -1.923 18462 11355 1 16 . 1 1 475 475 ARG H H 475 8.662 8.662 8.396 0.266 18462 11356 1 16 . 1 1 476 476 MET N N 476 122.046 122.046 122.801 -0.755 18462 11357 1 16 . 1 1 476 476 MET HA H 476 4.496 4.496 4.594 -0.098 18462 11358 1 16 . 1 1 476 476 MET C C 476 176.359 176.359 175.690 0.669 18462 11359 1 16 . 1 1 476 476 MET CA C 476 54.537 54.537 55.146 -0.609 18462 11360 1 16 . 1 1 476 476 MET CB C 476 32.509 32.509 32.370 0.139 18462 11361 1 16 . 1 1 476 476 MET H H 476 8.490 8.490 8.666 -0.176 18462 11362 1 16 . 1 1 477 477 LYS N N 477 123.768 123.768 124.870 -1.102 18462 11363 1 16 . 1 1 477 477 LYS HA H 477 4.384 4.384 4.529 -0.145 18462 11364 1 16 . 1 1 477 477 LYS C C 477 176.015 176.015 174.965 1.050 18462 11365 1 16 . 1 1 477 477 LYS CA C 477 55.834 55.834 56.647 -0.813 18462 11366 1 16 . 1 1 477 477 LYS CB C 477 32.107 32.107 32.858 -0.752 18462 11367 1 16 . 1 1 477 477 LYS H H 477 8.472 8.472 8.601 -0.129 18462 11368 1 16 . 1 1 478 478 VAL N N 478 122.460 122.460 117.365 5.095 18462 11369 1 16 . 1 1 478 478 VAL HA H 478 4.054 4.054 4.556 -0.502 18462 11370 1 16 . 1 1 478 478 VAL C C 478 176.320 176.320 174.903 1.417 18462 11371 1 16 . 1 1 478 478 VAL CA C 478 61.337 61.337 60.477 0.860 18462 11372 1 16 . 1 1 478 478 VAL CB C 478 32.275 32.275 34.084 -1.809 18462 11373 1 16 . 1 1 478 478 VAL H H 478 8.230 8.230 7.786 0.444 18462 11374 1 16 . 1 1 479 479 LYS N N 479 126.119 126.119 120.486 5.633 18462 11375 1 16 . 1 1 479 479 LYS HA H 479 4.365 4.365 4.531 -0.166 18462 11376 1 16 . 1 1 479 479 LYS C C 479 175.605 175.605 174.500 1.105 18462 11377 1 16 . 1 1 479 479 LYS CA C 479 55.006 55.006 55.145 -0.139 18462 11378 1 16 . 1 1 479 479 LYS CB C 479 32.098 32.098 34.566 -2.468 18462 11379 1 16 . 1 1 479 479 LYS H H 479 8.453 8.453 8.399 0.054 18462 11380 1 16 . 1 1 480 480 HIS N N 480 121.065 121.065 119.420 1.645 18462 11381 1 16 . 1 1 480 480 HIS HA H 480 4.713 4.713 4.805 -0.092 18462 11382 1 16 . 1 1 480 480 HIS C C 480 175.937 175.937 174.535 1.402 18462 11383 1 16 . 1 1 480 480 HIS CA C 480 54.537 54.537 55.273 -0.736 18462 11384 1 16 . 1 1 480 480 HIS CB C 480 30.047 30.047 32.369 -2.322 18462 11385 1 16 . 1 1 480 480 HIS H H 480 8.559 8.559 8.378 0.181 18462 11386 1 16 . 1 1 481 481 ASP HA H 481 4.392 4.392 4.563 -0.171 18462 11387 1 16 . 1 1 481 481 ASP C C 481 174.413 174.413 175.898 -1.485 18462 11388 1 16 . 1 1 481 481 ASP CA C 481 52.907 52.907 54.636 -1.729 18462 11389 1 16 . 1 1 481 481 ASP CB C 481 39.543 39.543 40.677 -1.134 18462 11390 1 16 . 1 1 482 482 ASP N N 482 118.362 118.362 118.257 0.105 18462 11391 1 16 . 1 1 482 482 ASP HA H 482 4.710 4.710 4.293 0.417 18462 11392 1 16 . 1 1 482 482 ASP C C 482 175.104 175.104 174.924 0.180 18462 11393 1 16 . 1 1 482 482 ASP CA C 482 53.376 53.376 53.792 -0.416 18462 11394 1 16 . 1 1 482 482 ASP CB C 482 39.308 39.308 39.292 0.016 18462 11395 1 16 . 1 1 482 482 ASP H H 482 8.216 8.216 8.407 -0.191 18462 11396 1 16 . 1 1 483 483 HIS N N 483 113.578 113.578 112.556 1.022 18462 11397 1 16 . 1 1 483 483 HIS HA H 483 5.886 5.886 5.303 0.583 18462 11398 1 16 . 1 1 483 483 HIS C C 483 175.274 175.274 172.799 2.475 18462 11399 1 16 . 1 1 483 483 HIS CA C 483 55.241 55.241 55.249 -0.008 18462 11400 1 16 . 1 1 483 483 HIS CB C 483 32.040 32.040 31.383 0.657 18462 11401 1 16 . 1 1 483 483 HIS H H 483 7.692 7.692 7.034 0.658 18462 11402 1 16 . 1 1 484 484 TYR N N 484 116.271 116.271 114.385 1.886 18462 11403 1 16 . 1 1 484 484 TYR HA H 484 5.003 5.003 4.958 0.045 18462 11404 1 16 . 1 1 484 484 TYR C C 484 180.038 180.038 173.734 6.304 18462 11405 1 16 . 1 1 484 484 TYR CA C 484 55.241 55.241 56.404 -1.163 18462 11406 1 16 . 1 1 484 484 TYR CB C 484 39.777 39.777 40.372 -0.595 18462 11407 1 16 . 1 1 484 484 TYR H H 484 8.493 8.493 8.749 -0.256 18462 11408 1 16 . 1 1 485 485 GLU N N 485 120.840 120.840 121.345 -0.505 18462 11409 1 16 . 1 1 485 485 GLU HA H 485 5.301 5.301 5.246 0.055 18462 11410 1 16 . 1 1 485 485 GLU C C 485 174.101 174.101 175.731 -1.630 18462 11411 1 16 . 1 1 485 485 GLU CA C 485 54.772 54.772 55.502 -0.730 18462 11412 1 16 . 1 1 485 485 GLU CB C 485 31.337 31.337 31.596 -0.259 18462 11413 1 16 . 1 1 485 485 GLU H H 485 8.873 8.873 8.704 0.169 18462 11414 1 16 . 1 1 486 486 LEU N N 486 125.807 125.807 126.625 -0.818 18462 11415 1 16 . 1 1 486 486 LEU HA H 486 4.762 4.762 4.806 -0.044 18462 11416 1 16 . 1 1 486 486 LEU C C 486 175.613 175.613 174.784 0.829 18462 11417 1 16 . 1 1 486 486 LEU CA C 486 53.645 53.645 54.469 -0.824 18462 11418 1 16 . 1 1 486 486 LEU CB C 486 45.873 45.873 45.274 0.599 18462 11419 1 16 . 1 1 486 486 LEU H H 486 8.957 8.957 9.016 -0.059 18462 11420 1 16 . 1 1 487 487 ILE N N 487 125.332 125.332 127.747 -2.415 18462 11421 1 16 . 1 1 487 487 ILE HA H 487 5.007 5.007 4.517 0.490 18462 11422 1 16 . 1 1 487 487 ILE C C 487 174.543 174.543 175.381 -0.838 18462 11423 1 16 . 1 1 487 487 ILE CA C 487 59.695 59.695 61.236 -1.541 18462 11424 1 16 . 1 1 487 487 ILE CB C 487 37.433 37.433 38.331 -0.898 18462 11425 1 16 . 1 1 487 487 ILE H H 487 8.549 8.549 8.418 0.131 18462 11426 1 16 . 1 1 488 488 VAL N N 488 129.307 129.307 128.327 0.980 18462 11427 1 16 . 1 1 488 488 VAL HA H 488 4.304 4.304 4.133 0.171 18462 11428 1 16 . 1 1 488 488 VAL C C 488 176.678 176.678 175.235 1.443 18462 11429 1 16 . 1 1 488 488 VAL CA C 488 60.868 60.868 60.511 0.357 18462 11430 1 16 . 1 1 488 488 VAL CB C 488 33.681 33.681 34.002 -0.321 18462 11431 1 16 . 1 1 488 488 VAL H H 488 9.456 9.456 8.703 0.753 18462 11432 1 16 . 1 1 489 489 ASP N N 489 128.884 128.884 128.497 0.387 18462 11433 1 16 . 1 1 489 489 ASP HA H 489 4.301 4.301 4.259 0.042 18462 11434 1 16 . 1 1 489 489 ASP C C 489 176.084 176.084 176.806 -0.722 18462 11435 1 16 . 1 1 489 489 ASP CA C 489 54.537 54.537 54.622 -0.085 18462 11436 1 16 . 1 1 489 489 ASP CB C 489 39.074 39.074 40.372 -1.298 18462 11437 1 16 . 1 1 489 489 ASP H H 489 9.144 9.144 8.830 0.314 18462 11438 1 16 . 1 1 490 490 GLY N N 490 102.410 102.410 104.442 -2.032 18462 11439 1 16 . 1 1 490 490 GLY C C 490 175.998 175.998 174.173 1.825 18462 11440 1 16 . 1 1 490 490 GLY CA C 490 44.818 44.818 44.995 -0.177 18462 11441 1 16 . 1 1 490 490 GLY H H 490 8.210 8.210 8.111 0.099 18462 11442 1 16 . 1 1 491 491 ARG N N 491 122.605 122.605 122.156 0.449 18462 11443 1 16 . 1 1 491 491 ARG HA H 491 4.597 4.597 4.422 0.175 18462 11444 1 16 . 1 1 491 491 ARG C C 491 173.256 173.256 175.174 -1.918 18462 11445 1 16 . 1 1 491 491 ARG CA C 491 53.610 53.610 55.173 -1.563 18462 11446 1 16 . 1 1 491 491 ARG CB C 491 32.040 32.040 31.352 0.688 18462 11447 1 16 . 1 1 491 491 ARG H H 491 7.938 7.938 7.640 0.298 18462 11448 1 16 . 1 1 492 492 VAL N N 492 123.769 123.769 124.406 -0.637 18462 11449 1 16 . 1 1 492 492 VAL HA H 492 4.128 4.128 3.769 0.359 18462 11450 1 16 . 1 1 492 492 VAL C C 492 173.470 173.470 175.427 -1.957 18462 11451 1 16 . 1 1 492 492 VAL CA C 492 62.210 62.210 62.677 -0.467 18462 11452 1 16 . 1 1 492 492 VAL CB C 492 32.040 32.040 31.677 0.363 18462 11453 1 16 . 1 1 492 492 VAL H H 492 8.157 8.157 8.444 -0.287 18462 11454 1 16 . 1 1 493 493 TYR N N 493 124.842 124.842 126.927 -2.085 18462 11455 1 16 . 1 1 493 493 TYR HA H 493 4.632 4.632 4.800 -0.168 18462 11456 1 16 . 1 1 493 493 TYR C C 493 174.288 174.288 175.248 -0.960 18462 11457 1 16 . 1 1 493 493 TYR CA C 493 56.308 56.308 53.891 2.417 18462 11458 1 16 . 1 1 493 493 TYR CB C 493 40.481 40.481 40.026 0.455 18462 11459 1 16 . 1 1 493 493 TYR H H 493 8.981 8.981 8.653 0.328 18462 11460 1 16 . 1 1 494 494 TYR N N 494 120.511 120.511 119.657 0.854 18462 11461 1 16 . 1 1 494 494 TYR HA H 494 4.763 4.763 5.188 -0.425 18462 11462 1 16 . 1 1 494 494 TYR C C 494 173.811 173.811 175.586 -1.775 18462 11463 1 16 . 1 1 494 494 TYR CA C 494 56.764 56.764 56.808 -0.044 18462 11464 1 16 . 1 1 494 494 TYR CB C 494 38.722 38.722 39.420 -0.699 18462 11465 1 16 . 1 1 494 494 TYR H H 494 9.235 9.235 9.088 0.147 18462 11466 1 16 . 1 1 495 495 ILE N N 495 124.930 124.930 122.867 2.063 18462 11467 1 16 . 1 1 495 495 ILE HA H 495 4.780 4.780 4.757 0.023 18462 11468 1 16 . 1 1 495 495 ILE C C 495 174.764 174.764 175.551 -0.787 18462 11469 1 16 . 1 1 495 495 ILE CA C 495 57.714 57.714 59.231 -1.517 18462 11470 1 16 . 1 1 495 495 ILE CB C 495 36.729 36.729 40.409 -3.680 18462 11471 1 16 . 1 1 495 495 ILE H H 495 9.136 9.136 9.180 -0.044 18462 11472 1 16 . 1 1 496 496 CYS N N 496 127.535 127.535 127.691 -0.156 18462 11473 1 16 . 1 1 496 496 CYS HA H 496 4.745 4.745 4.905 -0.160 18462 11474 1 16 . 1 1 496 496 CYS C C 496 176.128 176.128 176.986 -0.858 18462 11475 1 16 . 1 1 496 496 CYS CA C 496 60.574 60.574 58.860 1.714 18462 11476 1 16 . 1 1 496 496 CYS CB C 496 29.227 29.227 27.892 1.335 18462 11477 1 16 . 1 1 496 496 CYS H H 496 9.016 9.016 8.787 0.229 18462 11478 1 16 . 1 1 497 497 ILE N N 497 129.645 129.645 126.227 3.418 18462 11479 1 16 . 1 1 497 497 ILE HA H 497 4.176 4.176 4.212 -0.036 18462 11480 1 16 . 1 1 497 497 ILE C C 497 177.925 177.925 177.016 0.909 18462 11481 1 16 . 1 1 497 497 ILE CA C 497 63.447 63.447 64.450 -1.002 18462 11482 1 16 . 1 1 497 497 ILE CB C 497 39.543 39.543 37.853 1.690 18462 11483 1 16 . 1 1 497 497 ILE H H 497 8.295 8.295 8.393 -0.098 18462 11484 1 16 . 1 1 498 498 VAL N N 498 123.791 123.791 121.777 2.014 18462 11485 1 16 . 1 1 498 498 VAL HA H 498 3.939 3.939 3.709 0.230 18462 11486 1 16 . 1 1 498 498 VAL C C 498 176.127 176.127 177.378 -1.251 18462 11487 1 16 . 1 1 498 498 VAL CA C 498 64.619 64.619 65.299 -0.680 18462 11488 1 16 . 1 1 498 498 VAL CB C 498 32.275 32.275 31.895 0.380 18462 11489 1 16 . 1 1 498 498 VAL H H 498 8.993 8.993 8.363 0.630 18462 11490 1 16 . 1 1 499 499 CYS N N 499 117.267 117.267 112.129 5.138 18462 11491 1 16 . 1 1 499 499 CYS HA H 499 5.157 5.157 4.860 0.297 18462 11492 1 16 . 1 1 499 499 CYS C C 499 177.106 177.106 175.061 2.045 18462 11493 1 16 . 1 1 499 499 CYS CA C 499 57.820 57.820 57.156 0.664 18462 11494 1 16 . 1 1 499 499 CYS CB C 499 31.571 31.571 29.202 2.369 18462 11495 1 16 . 1 1 499 499 CYS H H 499 8.307 8.307 8.117 0.190 18462 11496 1 16 . 1 1 500 500 LYS N N 500 117.950 117.950 119.124 -1.174 18462 11497 1 16 . 1 1 500 500 LYS HA H 500 4.306 4.306 4.069 0.237 18462 11498 1 16 . 1 1 500 500 LYS C C 500 175.869 175.869 175.416 0.453 18462 11499 1 16 . 1 1 500 500 LYS CA C 500 57.585 57.585 57.244 0.341 18462 11500 1 16 . 1 1 500 500 LYS CB C 500 28.289 28.289 29.732 -1.443 18462 11501 1 16 . 1 1 500 500 LYS H H 500 8.169 8.169 8.197 -0.028 18462 11502 1 16 . 1 1 501 501 ARG N N 501 121.270 121.270 119.590 1.680 18462 11503 1 16 . 1 1 501 501 ARG HA H 501 4.090 4.090 4.206 -0.116 18462 11504 1 16 . 1 1 501 501 ARG C C 501 175.587 175.587 175.695 -0.108 18462 11505 1 16 . 1 1 501 501 ARG CA C 501 58.289 58.289 55.866 2.423 18462 11506 1 16 . 1 1 501 501 ARG CB C 501 29.694 29.694 31.279 -1.585 18462 11507 1 16 . 1 1 501 501 ARG H H 501 8.071 8.071 7.841 0.230 18462 11508 1 16 . 1 1 502 502 SER N N 502 112.997 112.997 117.672 -4.675 18462 11509 1 16 . 1 1 502 502 SER HA H 502 5.003 5.003 4.656 0.347 18462 11510 1 16 . 1 1 502 502 SER C C 502 174.417 174.417 173.052 1.365 18462 11511 1 16 . 1 1 502 502 SER CA C 502 55.475 55.475 57.233 -1.758 18462 11512 1 16 . 1 1 502 502 SER CB C 502 65.088 65.088 64.630 0.458 18462 11513 1 16 . 1 1 502 502 SER H H 502 7.553 7.553 8.224 -0.671 18462 11514 1 16 . 1 1 503 503 TYR N N 503 121.115 121.115 119.979 1.136 18462 11515 1 16 . 1 1 503 503 TYR HA H 503 4.996 4.996 4.648 0.348 18462 11516 1 16 . 1 1 503 503 TYR C C 503 173.707 173.707 175.723 -2.016 18462 11517 1 16 . 1 1 503 503 TYR CA C 503 57.585 57.585 57.704 -0.119 18462 11518 1 16 . 1 1 503 503 TYR CB C 503 42.244 42.244 42.068 0.176 18462 11519 1 16 . 1 1 503 503 TYR H H 503 8.958 8.958 8.135 0.823 18462 11520 1 16 . 1 1 504 504 VAL N N 504 119.390 119.390 120.604 -1.214 18462 11521 1 16 . 1 1 504 504 VAL HA H 504 4.376 4.376 4.026 0.350 18462 11522 1 16 . 1 1 504 504 VAL C C 504 176.390 176.390 175.612 0.778 18462 11523 1 16 . 1 1 504 504 VAL CA C 504 62.275 62.275 64.299 -2.024 18462 11524 1 16 . 1 1 504 504 VAL CB C 504 33.025 33.025 32.420 0.605 18462 11525 1 16 . 1 1 504 504 VAL H H 504 9.988 9.988 8.632 1.356 18462 11526 1 16 . 1 1 505 505 CYS N N 505 113.800 113.800 116.127 -2.327 18462 11527 1 16 . 1 1 505 505 CYS HA H 505 4.998 4.998 4.761 0.237 18462 11528 1 16 . 1 1 505 505 CYS C C 505 176.603 176.603 175.022 1.581 18462 11529 1 16 . 1 1 505 505 CYS CA C 505 56.647 56.647 57.706 -1.059 18462 11530 1 16 . 1 1 505 505 CYS CB C 505 38.406 38.406 31.356 7.050 18462 11531 1 16 . 1 1 505 505 CYS H H 505 7.518 7.518 7.755 -0.237 18462 11532 1 16 . 1 1 506 506 LEU N N 506 129.535 129.535 124.351 5.184 18462 11533 1 16 . 1 1 506 506 LEU HA H 506 3.325 3.325 3.508 -0.183 18462 11534 1 16 . 1 1 506 506 LEU C C 506 174.727 174.727 177.757 -3.030 18462 11535 1 16 . 1 1 506 506 LEU CA C 506 56.647 56.647 58.059 -1.412 18462 11536 1 16 . 1 1 506 506 LEU CB C 506 39.308 39.308 41.200 -1.892 18462 11537 1 16 . 1 1 506 506 LEU H H 506 8.602 8.602 8.713 -0.111 18462 11538 1 16 . 1 1 507 507 THR N N 507 108.833 108.833 110.066 -1.233 18462 11539 1 16 . 1 1 507 507 THR HA H 507 3.820 3.820 3.887 -0.067 18462 11540 1 16 . 1 1 507 507 THR C C 507 178.905 178.905 176.545 2.360 18462 11541 1 16 . 1 1 507 507 THR CA C 507 64.150 64.150 66.058 -1.908 18462 11542 1 16 . 1 1 507 507 THR CB C 507 66.260 66.260 68.009 -1.749 18462 11543 1 16 . 1 1 507 507 THR H H 507 8.087 8.087 8.152 -0.065 18462 11544 1 16 . 1 1 508 508 SER N N 508 119.009 119.009 118.811 0.198 18462 11545 1 16 . 1 1 508 508 SER HA H 508 4.123 4.123 4.029 0.094 18462 11546 1 16 . 1 1 508 508 SER C C 508 178.467 178.467 175.820 2.647 18462 11547 1 16 . 1 1 508 508 SER CA C 508 59.461 59.461 61.233 -1.772 18462 11548 1 16 . 1 1 508 508 SER CB C 508 62.978 62.978 62.806 0.172 18462 11549 1 16 . 1 1 508 508 SER H H 508 7.230 7.230 7.448 -0.218 18462 11550 1 16 . 1 1 509 509 LEU N N 509 127.365 127.365 123.964 3.401 18462 11551 1 16 . 1 1 509 509 LEU HA H 509 3.216 3.216 3.471 -0.255 18462 11552 1 16 . 1 1 509 509 LEU C C 509 176.740 176.740 177.592 -0.852 18462 11553 1 16 . 1 1 509 509 LEU CA C 509 57.351 57.351 58.078 -0.727 18462 11554 1 16 . 1 1 509 509 LEU CB C 509 39.074 39.074 41.818 -2.744 18462 11555 1 16 . 1 1 509 509 LEU H H 509 7.114 7.114 7.223 -0.109 18462 11556 1 16 . 1 1 510 510 ARG N N 510 119.955 119.955 118.707 1.248 18462 11557 1 16 . 1 1 510 510 ARG HA H 510 3.843 3.843 3.971 -0.128 18462 11558 1 16 . 1 1 510 510 ARG C C 510 178.472 178.472 178.938 -0.466 18462 11559 1 16 . 1 1 510 510 ARG CA C 510 61.766 61.766 58.668 3.098 18462 11560 1 16 . 1 1 510 510 ARG CB C 510 28.992 28.992 29.256 -0.264 18462 11561 1 16 . 1 1 510 510 ARG H H 510 8.100 8.100 8.487 -0.387 18462 11562 1 16 . 1 1 511 511 ARG N N 511 120.947 120.947 118.735 2.212 18462 11563 1 16 . 1 1 511 511 ARG HA H 511 4.078 4.078 3.881 0.197 18462 11564 1 16 . 1 1 511 511 ARG C C 511 178.262 178.262 177.813 0.449 18462 11565 1 16 . 1 1 511 511 ARG CA C 511 59.054 59.054 59.192 -0.138 18462 11566 1 16 . 1 1 511 511 ARG CB C 511 29.695 29.695 29.902 -0.207 18462 11567 1 16 . 1 1 511 511 ARG H H 511 7.802 7.802 7.874 -0.072 18462 11568 1 16 . 1 1 512 512 HIS N N 512 116.820 116.820 117.671 -0.851 18462 11569 1 16 . 1 1 512 512 HIS HA H 512 4.219 4.219 4.253 -0.034 18462 11570 1 16 . 1 1 512 512 HIS C C 512 178.069 178.069 177.479 0.590 18462 11571 1 16 . 1 1 512 512 HIS CA C 512 57.507 57.507 58.651 -1.143 18462 11572 1 16 . 1 1 512 512 HIS CB C 512 27.390 27.390 30.141 -2.751 18462 11573 1 16 . 1 1 512 512 HIS H H 512 7.809 7.809 7.786 0.023 18462 11574 1 16 . 1 1 513 513 PHE N N 513 118.415 118.415 121.221 -2.806 18462 11575 1 16 . 1 1 513 513 PHE HA H 513 3.620 3.620 4.004 -0.384 18462 11576 1 16 . 1 1 513 513 PHE C C 513 176.026 176.026 176.531 -0.505 18462 11577 1 16 . 1 1 513 513 PHE CA C 513 61.102 61.102 61.395 -0.293 18462 11578 1 16 . 1 1 513 513 PHE CB C 513 38.996 38.996 39.036 -0.041 18462 11579 1 16 . 1 1 513 513 PHE H H 513 8.898 8.898 8.972 -0.074 18462 11580 1 16 . 1 1 514 514 ASN N N 514 114.080 114.080 118.495 -4.415 18462 11581 1 16 . 1 1 514 514 ASN HA H 514 4.988 4.988 4.290 0.698 18462 11582 1 16 . 1 1 514 514 ASN C C 514 176.236 176.236 176.376 -0.140 18462 11583 1 16 . 1 1 514 514 ASN CA C 514 55.006 55.006 55.658 -0.652 18462 11584 1 16 . 1 1 514 514 ASN CB C 514 40.129 40.129 38.526 1.603 18462 11585 1 16 . 1 1 514 514 ASN H H 514 8.678 8.678 7.819 0.859 18462 11586 1 16 . 1 1 515 515 ILE N N 515 114.035 114.035 117.503 -3.468 18462 11587 1 16 . 1 1 515 515 ILE HA H 515 2.997 2.997 3.164 -0.167 18462 11588 1 16 . 1 1 515 515 ILE C C 515 176.292 176.292 176.848 -0.556 18462 11589 1 16 . 1 1 515 515 ILE CA C 515 63.447 63.447 63.287 0.160 18462 11590 1 16 . 1 1 515 515 ILE CB C 515 37.198 37.198 37.505 -0.307 18462 11591 1 16 . 1 1 515 515 ILE H H 515 7.919 7.919 7.733 0.186 18462 11592 1 16 . 1 1 516 516 HIS N N 516 113.136 113.136 117.845 -4.709 18462 11593 1 16 . 1 1 516 516 HIS HA H 516 4.767 4.767 4.579 0.188 18462 11594 1 16 . 1 1 516 516 HIS C C 516 175.870 175.870 177.183 -1.313 18462 11595 1 16 . 1 1 516 516 HIS CA C 516 54.542 54.542 58.229 -3.687 18462 11596 1 16 . 1 1 516 516 HIS CB C 516 27.585 27.585 30.332 -2.747 18462 11597 1 16 . 1 1 516 516 HIS H H 516 7.170 7.170 7.631 -0.461 18462 11598 1 16 . 1 1 517 517 SER N N 517 112.852 112.852 114.030 -1.178 18462 11599 1 16 . 1 1 517 517 SER HA H 517 4.359 4.359 4.280 0.079 18462 11600 1 16 . 1 1 517 517 SER C C 517 177.067 177.067 175.369 1.698 18462 11601 1 16 . 1 1 517 517 SER CA C 517 58.758 58.758 59.598 -0.840 18462 11602 1 16 . 1 1 517 517 SER CB C 517 63.447 63.447 64.216 -0.770 18462 11603 1 16 . 1 1 517 517 SER H H 517 7.886 7.886 7.911 -0.025 18462 11604 1 16 . 1 1 518 518 TRP N N 518 122.824 122.824 120.216 2.608 18462 11605 1 16 . 1 1 518 518 TRP HA H 518 4.005 4.005 4.400 -0.395 18462 11606 1 16 . 1 1 518 518 TRP C C 518 175.133 175.133 176.612 -1.479 18462 11607 1 16 . 1 1 518 518 TRP CA C 518 57.820 57.820 58.576 -0.756 18462 11608 1 16 . 1 1 518 518 TRP CB C 518 25.710 25.710 26.511 -0.801 18462 11609 1 16 . 1 1 518 518 TRP H H 518 9.274 9.274 7.440 1.834 18462 11610 1 16 . 1 1 519 519 GLU N N 519 119.673 119.673 115.651 4.022 18462 11611 1 16 . 1 1 519 519 GLU HA H 519 4.042 4.042 4.089 -0.047 18462 11612 1 16 . 1 1 519 519 GLU C C 519 175.353 175.353 176.657 -1.304 18462 11613 1 16 . 1 1 519 519 GLU CA C 519 58.758 58.758 58.251 0.507 18462 11614 1 16 . 1 1 519 519 GLU CB C 519 29.695 29.695 29.963 -0.268 18462 11615 1 16 . 1 1 519 519 GLU H H 519 7.828 7.828 7.979 -0.151 18462 11616 1 16 . 1 1 520 520 LYS N N 520 118.358 118.358 119.259 -0.901 18462 11617 1 16 . 1 1 520 520 LYS HA H 520 4.544 4.544 4.406 0.138 18462 11618 1 16 . 1 1 520 520 LYS C C 520 178.036 178.036 174.437 3.599 18462 11619 1 16 . 1 1 520 520 LYS CA C 520 53.845 53.845 54.974 -1.129 18462 11620 1 16 . 1 1 520 520 LYS CB C 520 34.385 34.385 34.389 -0.004 18462 11621 1 16 . 1 1 520 520 LYS H H 520 9.085 9.085 8.019 1.066 18462 11622 1 16 . 1 1 521 521 LYS N N 521 118.859 118.859 122.354 -3.495 18462 11623 1 16 . 1 1 521 521 LYS HA H 521 4.658 4.658 4.283 0.375 18462 11624 1 16 . 1 1 521 521 LYS C C 521 175.168 175.168 175.909 -0.741 18462 11625 1 16 . 1 1 521 521 LYS CA C 521 54.537 54.537 55.659 -1.122 18462 11626 1 16 . 1 1 521 521 LYS CB C 521 35.323 35.323 33.739 1.584 18462 11627 1 16 . 1 1 521 521 LYS H H 521 8.238 8.238 8.194 0.044 18462 11628 1 16 . 1 1 522 522 TYR N N 522 117.305 117.305 120.940 -3.635 18462 11629 1 16 . 1 1 522 522 TYR HA H 522 5.028 5.028 4.922 0.106 18462 11630 1 16 . 1 1 522 522 TYR C C 522 175.016 175.016 173.810 1.206 18462 11631 1 16 . 1 1 522 522 TYR CA C 522 54.537 54.537 55.035 -0.498 18462 11632 1 16 . 1 1 522 522 TYR CB C 522 37.198 37.198 38.130 -0.932 18462 11633 1 16 . 1 1 522 522 TYR H H 522 7.788 7.788 8.353 -0.565 18462 11634 1 16 . 1 1 523 523 PRO HA H 523 5.026 5.026 4.859 0.167 18462 11635 1 16 . 1 1 523 523 PRO CA C 523 61.806 61.806 62.630 -0.824 18462 11636 1 16 . 1 1 523 523 PRO CB C 523 31.839 31.839 32.262 -0.423 18462 11637 1 16 . 1 1 524 524 CYS N N 524 126.569 126.569 123.224 3.345 18462 11638 1 16 . 1 1 524 524 CYS HA H 524 4.739 4.739 4.755 -0.016 18462 11639 1 16 . 1 1 524 524 CYS C C 524 176.841 176.841 175.933 0.908 18462 11640 1 16 . 1 1 524 524 CYS CA C 524 60.290 60.290 57.548 2.742 18462 11641 1 16 . 1 1 524 524 CYS CB C 524 29.344 29.344 29.798 -0.454 18462 11642 1 16 . 1 1 524 524 CYS H H 524 9.210 9.210 8.708 0.502 18462 11643 1 16 . 1 1 525 525 ARG N N 525 130.294 130.294 124.731 5.563 18462 11644 1 16 . 1 1 525 525 ARG HA H 525 4.285 4.285 4.164 0.121 18462 11645 1 16 . 1 1 525 525 ARG C C 525 176.390 176.390 177.630 -1.240 18462 11646 1 16 . 1 1 525 525 ARG CA C 525 58.043 58.043 57.271 0.772 18462 11647 1 16 . 1 1 525 525 ARG CB C 525 27.576 27.576 29.912 -2.336 18462 11648 1 16 . 1 1 525 525 ARG H H 525 9.724 9.724 9.538 0.186 18462 11649 1 16 . 1 1 526 526 TYR N N 526 122.622 122.622 116.192 6.430 18462 11650 1 16 . 1 1 526 526 TYR HA H 526 4.517 4.517 4.321 0.196 18462 11651 1 16 . 1 1 526 526 TYR C C 526 176.659 176.659 175.979 0.680 18462 11652 1 16 . 1 1 526 526 TYR CA C 526 58.054 58.054 58.153 -0.099 18462 11653 1 16 . 1 1 526 526 TYR CB C 526 37.628 37.628 38.026 -0.398 18462 11654 1 16 . 1 1 526 526 TYR H H 526 10.439 10.439 8.342 2.097 18462 11655 1 16 . 1 1 527 527 CYS N N 527 122.873 122.873 115.926 6.947 18462 11656 1 16 . 1 1 527 527 CYS HA H 527 5.153 5.153 4.864 0.289 18462 11657 1 16 . 1 1 527 527 CYS C C 527 175.243 175.243 175.120 0.123 18462 11658 1 16 . 1 1 527 527 CYS CA C 527 58.148 58.148 56.274 1.874 18462 11659 1 16 . 1 1 527 527 CYS CB C 527 30.164 30.164 31.553 -1.389 18462 11660 1 16 . 1 1 527 527 CYS H H 527 8.462 8.462 7.680 0.782 18462 11661 1 16 . 1 1 528 528 GLU N N 528 115.906 115.906 119.168 -3.262 18462 11662 1 16 . 1 1 528 528 GLU HA H 528 4.453 4.453 4.157 0.296 18462 11663 1 16 . 1 1 528 528 GLU C C 528 173.484 173.484 175.508 -2.024 18462 11664 1 16 . 1 1 528 528 GLU CA C 528 57.390 57.390 56.420 0.970 18462 11665 1 16 . 1 1 528 528 GLU CB C 528 29.608 29.608 27.953 1.655 18462 11666 1 16 . 1 1 528 528 GLU H H 528 8.704 8.704 8.673 0.031 18462 11667 1 16 . 1 1 529 529 LYS N N 529 125.068 125.068 121.298 3.770 18462 11668 1 16 . 1 1 529 529 LYS HA H 529 4.041 4.041 4.312 -0.271 18462 11669 1 16 . 1 1 529 529 LYS C C 529 176.881 176.881 174.802 2.079 18462 11670 1 16 . 1 1 529 529 LYS CA C 529 57.585 57.585 56.009 1.576 18462 11671 1 16 . 1 1 529 529 LYS CB C 529 33.212 33.212 33.935 -0.723 18462 11672 1 16 . 1 1 529 529 LYS H H 529 8.696 8.696 7.498 1.198 18462 11673 1 16 . 1 1 530 530 VAL N N 530 119.525 119.525 122.724 -3.199 18462 11674 1 16 . 1 1 530 530 VAL HA H 530 4.541 4.541 4.493 0.048 18462 11675 1 16 . 1 1 530 530 VAL C C 530 175.118 175.118 175.533 -0.415 18462 11676 1 16 . 1 1 530 530 VAL CA C 530 60.633 60.633 60.547 0.086 18462 11677 1 16 . 1 1 530 530 VAL CB C 530 34.150 34.150 34.187 -0.037 18462 11678 1 16 . 1 1 530 530 VAL H H 530 8.054 8.054 8.209 -0.155 18462 11679 1 16 . 1 1 531 531 PHE N N 531 122.568 122.568 126.839 -4.271 18462 11680 1 16 . 1 1 531 531 PHE C C 531 174.185 174.185 174.666 -0.481 18462 11681 1 16 . 1 1 531 531 PHE CA C 531 55.586 55.586 55.512 0.074 18462 11682 1 16 . 1 1 531 531 PHE CB C 531 41.184 41.184 40.266 0.918 18462 11683 1 16 . 1 1 531 531 PHE H H 531 8.167 8.167 8.701 -0.534 18462 11684 1 16 . 1 1 532 532 PRO HA H 532 4.359 4.359 4.072 0.287 18462 11685 1 16 . 1 1 532 532 PRO CA C 532 62.216 62.216 62.952 -0.736 18462 11686 1 16 . 1 1 532 532 PRO CB C 532 29.930 29.930 31.927 -1.997 18462 11687 1 16 . 1 1 533 533 LEU N N 533 122.335 122.335 117.669 4.666 18462 11688 1 16 . 1 1 533 533 LEU HA H 533 4.086 4.086 4.312 -0.226 18462 11689 1 16 . 1 1 533 533 LEU C C 533 175.091 175.091 177.021 -1.930 18462 11690 1 16 . 1 1 533 533 LEU CA C 533 55.006 55.006 53.208 1.798 18462 11691 1 16 . 1 1 533 533 LEU CB C 533 43.529 43.529 44.553 -1.024 18462 11692 1 16 . 1 1 533 533 LEU H H 533 6.587 6.587 7.562 -0.975 18462 11693 1 16 . 1 1 534 534 ALA N N 534 126.722 126.722 126.280 0.442 18462 11694 1 16 . 1 1 534 534 ALA HA H 534 2.993 2.993 3.499 -0.506 18462 11695 1 16 . 1 1 534 534 ALA C C 534 175.439 175.439 178.623 -3.184 18462 11696 1 16 . 1 1 534 534 ALA CA C 534 54.537 54.537 54.811 -0.274 18462 11697 1 16 . 1 1 534 534 ALA CB C 534 18.452 18.452 17.334 1.118 18462 11698 1 16 . 1 1 534 534 ALA H H 534 7.698 7.698 7.970 -0.272 18462 11699 1 16 . 1 1 535 535 GLU N N 535 119.354 119.354 118.409 0.945 18462 11700 1 16 . 1 1 535 535 GLU HA H 535 4.675 4.675 4.064 0.611 18462 11701 1 16 . 1 1 535 535 GLU C C 535 180.126 180.126 178.489 1.637 18462 11702 1 16 . 1 1 535 535 GLU CA C 535 58.526 58.526 59.104 -0.578 18462 11703 1 16 . 1 1 535 535 GLU H H 535 9.535 9.535 8.763 0.772 18462 11704 1 16 . 1 1 536 536 TYR N N 536 114.592 114.592 120.223 -5.631 18462 11705 1 16 . 1 1 536 536 TYR HA H 536 4.368 4.368 4.128 0.240 18462 11706 1 16 . 1 1 536 536 TYR C C 536 178.004 178.004 177.869 0.135 18462 11707 1 16 . 1 1 536 536 TYR CA C 536 56.179 56.179 58.118 -1.940 18462 11708 1 16 . 1 1 536 536 TYR CB C 536 35.556 35.556 37.099 -1.543 18462 11709 1 16 . 1 1 536 536 TYR H H 536 6.552 6.552 7.986 -1.434 18462 11710 1 16 . 1 1 537 537 ARG N N 537 119.820 119.820 119.766 0.054 18462 11711 1 16 . 1 1 537 537 ARG HA H 537 3.209 3.209 3.564 -0.355 18462 11712 1 16 . 1 1 537 537 ARG C C 537 179.469 179.469 178.298 1.171 18462 11713 1 16 . 1 1 537 537 ARG CA C 537 59.131 59.131 60.061 -0.930 18462 11714 1 16 . 1 1 537 537 ARG CB C 537 27.179 27.179 29.858 -2.679 18462 11715 1 16 . 1 1 537 537 ARG H H 537 7.016 7.016 7.424 -0.408 18462 11716 1 16 . 1 1 538 538 THR N N 538 120.080 120.080 116.847 3.233 18462 11717 1 16 . 1 1 538 538 THR HA H 538 3.939 3.939 4.079 -0.140 18462 11718 1 16 . 1 1 538 538 THR C C 538 177.538 177.538 176.683 0.855 18462 11719 1 16 . 1 1 538 538 THR CA C 538 66.026 66.026 67.164 -1.138 18462 11720 1 16 . 1 1 538 538 THR CB C 538 66.964 66.964 68.540 -1.576 18462 11721 1 16 . 1 1 538 538 THR H H 538 8.410 8.410 8.196 0.214 18462 11722 1 16 . 1 1 539 539 LYS N N 539 117.252 117.252 119.926 -2.674 18462 11723 1 16 . 1 1 539 539 LYS HA H 539 4.054 4.054 4.029 0.025 18462 11724 1 16 . 1 1 539 539 LYS C C 539 176.139 176.139 179.187 -3.048 18462 11725 1 16 . 1 1 539 539 LYS CA C 539 57.116 57.116 59.111 -1.994 18462 11726 1 16 . 1 1 539 539 LYS CB C 539 31.859 31.859 31.914 -0.055 18462 11727 1 16 . 1 1 539 539 LYS H H 539 8.012 8.012 8.270 -0.258 18462 11728 1 16 . 1 1 540 540 HIS N N 540 118.983 118.983 119.326 -0.343 18462 11729 1 16 . 1 1 540 540 HIS HA H 540 4.548 4.548 4.278 0.270 18462 11730 1 16 . 1 1 540 540 HIS C C 540 179.568 179.568 177.521 2.047 18462 11731 1 16 . 1 1 540 540 HIS CA C 540 58.758 58.758 59.690 -0.932 18462 11732 1 16 . 1 1 540 540 HIS CB C 540 28.260 28.260 29.936 -1.676 18462 11733 1 16 . 1 1 540 540 HIS H H 540 7.536 7.536 8.180 -0.644 18462 11734 1 16 . 1 1 541 541 GLU N N 541 122.073 122.073 119.789 2.284 18462 11735 1 16 . 1 1 541 541 GLU HA H 541 4.215 4.215 4.270 -0.055 18462 11736 1 16 . 1 1 541 541 GLU C C 541 177.829 177.829 178.875 -1.046 18462 11737 1 16 . 1 1 541 541 GLU CA C 541 61.181 61.181 59.250 1.931 18462 11738 1 16 . 1 1 541 541 GLU CB C 541 29.712 29.712 29.801 -0.089 18462 11739 1 16 . 1 1 541 541 GLU H H 541 9.540 9.540 8.579 0.961 18462 11740 1 16 . 1 1 542 542 ILE N N 542 121.307 121.307 120.202 1.105 18462 11741 1 16 . 1 1 542 542 ILE HA H 542 4.335 4.335 3.794 0.541 18462 11742 1 16 . 1 1 542 542 ILE C C 542 179.666 179.666 177.737 1.929 18462 11743 1 16 . 1 1 542 542 ILE CA C 542 61.806 61.806 65.258 -3.452 18462 11744 1 16 . 1 1 542 542 ILE CB C 542 36.729 36.729 38.167 -1.438 18462 11745 1 16 . 1 1 542 542 ILE H H 542 8.275 8.275 8.519 -0.244 18462 11746 1 16 . 1 1 543 543 HIS N N 543 118.514 118.514 117.555 0.959 18462 11747 1 16 . 1 1 543 543 HIS HA H 543 4.257 4.257 4.293 -0.036 18462 11748 1 16 . 1 1 543 543 HIS C C 543 178.283 178.283 176.849 1.434 18462 11749 1 16 . 1 1 543 543 HIS CA C 543 58.758 58.758 58.576 0.182 18462 11750 1 16 . 1 1 543 543 HIS CB C 543 26.882 26.882 29.750 -2.869 18462 11751 1 16 . 1 1 543 543 HIS H H 543 7.744 7.744 7.404 0.340 18462 11752 1 16 . 1 1 544 544 HIS N N 544 115.805 115.805 117.151 -1.346 18462 11753 1 16 . 1 1 544 544 HIS HA H 544 4.317 4.317 4.355 -0.038 18462 11754 1 16 . 1 1 544 544 HIS C C 544 178.058 178.058 177.063 0.995 18462 11755 1 16 . 1 1 544 544 HIS CA C 544 58.054 58.054 58.664 -0.610 18462 11756 1 16 . 1 1 544 544 HIS CB C 544 36.882 36.882 30.235 6.647 18462 11757 1 16 . 1 1 544 544 HIS H H 544 7.537 7.537 7.786 -0.249 18462 11758 1 16 . 1 1 545 545 THR N N 545 109.469 109.469 108.922 0.547 18462 11759 1 16 . 1 1 545 545 THR HA H 545 4.184 4.184 4.181 0.003 18462 11760 1 16 . 1 1 545 545 THR C C 545 177.277 177.277 176.210 1.067 18462 11761 1 16 . 1 1 545 545 THR CA C 545 62.509 62.509 63.128 -0.619 18462 11762 1 16 . 1 1 545 545 THR CB C 545 68.839 68.839 69.712 -0.873 18462 11763 1 16 . 1 1 545 545 THR H H 545 7.991 7.991 7.936 0.055 18462 11764 1 16 . 1 1 546 546 GLY N N 546 113.407 113.407 111.362 2.045 18462 11765 1 16 . 1 1 546 546 GLY C C 546 177.501 177.501 173.876 3.625 18462 11766 1 16 . 1 1 546 546 GLY CA C 546 44.935 44.935 45.540 -0.605 18462 11767 1 16 . 1 1 546 546 GLY H H 546 8.530 8.530 7.874 0.656 18462 11768 1 16 . 1 1 547 547 GLU N N 547 123.901 123.901 119.653 4.248 18462 11769 1 16 . 1 1 547 547 GLU HA H 547 3.913 3.913 4.079 -0.166 18462 11770 1 16 . 1 1 547 547 GLU C C 547 173.687 173.687 175.689 -2.002 18462 11771 1 16 . 1 1 547 547 GLU CA C 547 56.413 56.413 56.957 -0.544 18462 11772 1 16 . 1 1 547 547 GLU CB C 547 29.123 29.123 30.529 -1.406 18462 11773 1 16 . 1 1 547 547 GLU H H 547 7.301 7.301 7.420 -0.119 18462 11774 1 16 . 1 1 548 548 ARG N N 548 128.505 128.505 127.667 0.838 18462 11775 1 16 . 1 1 548 548 ARG HA H 548 4.444 4.444 4.601 -0.157 18462 11776 1 16 . 1 1 548 548 ARG C C 548 175.180 175.180 175.953 -0.773 18462 11777 1 16 . 1 1 548 548 ARG CA C 548 55.059 55.059 54.447 0.612 18462 11778 1 16 . 1 1 548 548 ARG CB C 548 29.227 29.227 28.100 1.127 18462 11779 1 16 . 1 1 548 548 ARG H H 548 8.752 8.752 8.612 0.140 18462 11780 1 16 . 1 1 549 549 ARG N N 549 121.815 121.815 118.993 2.822 18462 11781 1 16 . 1 1 549 549 ARG HA H 549 4.205 4.205 4.189 0.016 18462 11782 1 16 . 1 1 549 549 ARG C C 549 175.850 175.850 176.505 -0.655 18462 11783 1 16 . 1 1 549 549 ARG CA C 549 57.350 57.350 58.575 -1.225 18462 11784 1 16 . 1 1 549 549 ARG CB C 549 32.980 32.980 30.875 2.105 18462 11785 1 16 . 1 1 549 549 ARG H H 549 9.440 9.440 7.976 1.464 18462 11786 1 16 . 1 1 550 550 TYR N N 550 116.087 116.087 119.377 -3.290 18462 11787 1 16 . 1 1 550 550 TYR C C 550 176.129 176.129 174.730 1.399 18462 11788 1 16 . 1 1 550 550 TYR CA C 550 58.169 58.169 57.705 0.464 18462 11789 1 16 . 1 1 550 550 TYR CB C 550 38.994 38.994 37.148 1.846 18462 11790 1 16 . 1 1 550 550 TYR H H 550 8.287 8.287 7.967 0.320 18462 11791 1 16 . 1 1 551 551 GLN N N 551 125.096 125.096 124.734 0.362 18462 11792 1 16 . 1 1 551 551 GLN HA H 551 5.275 5.275 5.131 0.144 18462 11793 1 16 . 1 1 551 551 GLN C C 551 175.080 175.080 174.781 0.299 18462 11794 1 16 . 1 1 551 551 GLN CA C 551 53.610 53.610 54.286 -0.676 18462 11795 1 16 . 1 1 551 551 GLN CB C 551 31.152 31.152 32.269 -1.117 18462 11796 1 16 . 1 1 551 551 GLN H H 551 9.656 9.656 9.141 0.515 18462 11797 1 16 . 1 1 552 552 CYS N N 552 128.697 128.697 125.534 3.163 18462 11798 1 16 . 1 1 552 552 CYS HA H 552 4.584 4.584 4.779 -0.195 18462 11799 1 16 . 1 1 552 552 CYS C C 552 175.231 175.231 175.260 -0.029 18462 11800 1 16 . 1 1 552 552 CYS CA C 552 59.461 59.461 60.087 -0.626 18462 11801 1 16 . 1 1 552 552 CYS CB C 552 29.695 29.695 28.512 1.183 18462 11802 1 16 . 1 1 552 552 CYS H H 552 9.427 9.427 9.275 0.152 18462 11803 1 16 . 1 1 553 553 LEU N N 553 130.168 130.168 125.314 4.854 18462 11804 1 16 . 1 1 553 553 LEU HA H 553 4.396 4.396 4.500 -0.104 18462 11805 1 16 . 1 1 553 553 LEU C C 553 177.402 177.402 177.986 -0.584 18462 11806 1 16 . 1 1 553 553 LEU CA C 553 55.710 55.710 56.077 -0.367 18462 11807 1 16 . 1 1 553 553 LEU CB C 553 40.246 40.246 42.203 -1.956 18462 11808 1 16 . 1 1 553 553 LEU H H 553 8.632 8.632 9.039 -0.407 18462 11809 1 16 . 1 1 554 554 ALA N N 554 125.048 125.048 123.280 1.768 18462 11810 1 16 . 1 1 554 554 ALA HA H 554 4.295 4.295 4.119 0.176 18462 11811 1 16 . 1 1 554 554 ALA C C 554 177.657 177.657 178.130 -0.473 18462 11812 1 16 . 1 1 554 554 ALA CA C 554 53.610 53.610 54.308 -0.698 18462 11813 1 16 . 1 1 554 554 ALA CB C 554 16.577 16.577 18.813 -2.236 18462 11814 1 16 . 1 1 554 554 ALA H H 554 8.847 8.847 8.224 0.623 18462 11815 1 16 . 1 1 555 555 CYS N N 555 113.388 113.388 112.583 0.805 18462 11816 1 16 . 1 1 555 555 CYS HA H 555 5.299 5.299 4.995 0.304 18462 11817 1 16 . 1 1 555 555 CYS C C 555 178.854 178.854 175.859 2.995 18462 11818 1 16 . 1 1 555 555 CYS CA C 555 57.820 57.820 57.260 0.560 18462 11819 1 16 . 1 1 555 555 CYS CB C 555 31.665 31.665 29.496 2.169 18462 11820 1 16 . 1 1 555 555 CYS H H 555 8.146 8.146 7.818 0.328 18462 11821 1 16 . 1 1 556 556 GLY N N 556 114.264 114.264 109.814 4.450 18462 11822 1 16 . 1 1 556 556 GLY C C 556 176.084 176.084 174.715 1.369 18462 11823 1 16 . 1 1 556 556 GLY CA C 556 45.639 45.639 45.546 0.093 18462 11824 1 16 . 1 1 556 556 GLY H H 556 8.104 8.104 8.495 -0.391 18462 11825 1 16 . 1 1 557 557 LYS N N 557 123.318 123.318 121.202 2.116 18462 11826 1 16 . 1 1 557 557 LYS HA H 557 4.110 4.110 4.111 -0.001 18462 11827 1 16 . 1 1 557 557 LYS C C 557 174.300 174.300 175.595 -1.295 18462 11828 1 16 . 1 1 557 557 LYS CA C 557 57.585 57.585 56.780 0.805 18462 11829 1 16 . 1 1 557 557 LYS CB C 557 33.447 33.447 33.105 0.342 18462 11830 1 16 . 1 1 557 557 LYS H H 557 8.043 8.043 7.579 0.464 18462 11831 1 16 . 1 1 558 558 SER N N 558 115.947 115.947 116.815 -0.868 18462 11832 1 16 . 1 1 558 558 SER HA H 558 5.661 5.661 5.087 0.574 18462 11833 1 16 . 1 1 558 558 SER C C 558 174.321 174.321 173.270 1.051 18462 11834 1 16 . 1 1 558 558 SER CA C 558 56.179 56.179 57.051 -0.872 18462 11835 1 16 . 1 1 558 558 SER CB C 558 65.088 65.088 65.168 -0.080 18462 11836 1 16 . 1 1 558 558 SER H H 558 7.864 7.864 8.134 -0.270 18462 11837 1 16 . 1 1 559 559 PHE N N 559 117.815 117.815 121.968 -4.153 18462 11838 1 16 . 1 1 559 559 PHE HA H 559 4.781 4.781 4.776 0.005 18462 11839 1 16 . 1 1 559 559 PHE C C 559 173.632 173.632 175.865 -2.233 18462 11840 1 16 . 1 1 559 559 PHE CA C 559 56.687 56.687 56.836 -0.149 18462 11841 1 16 . 1 1 559 559 PHE CB C 559 44.232 44.232 41.789 2.443 18462 11842 1 16 . 1 1 559 559 PHE H H 559 9.488 9.488 9.173 0.315 18462 11843 1 16 . 1 1 560 560 ILE N N 560 118.092 118.092 119.605 -1.513 18462 11844 1 16 . 1 1 560 560 ILE HA H 560 4.470 4.470 4.199 0.271 18462 11845 1 16 . 1 1 560 560 ILE C C 560 175.986 175.986 175.314 0.672 18462 11846 1 16 . 1 1 560 560 ILE CA C 560 62.040 62.040 63.264 -1.224 18462 11847 1 16 . 1 1 560 560 ILE CB C 560 39.308 39.308 38.190 1.119 18462 11848 1 16 . 1 1 560 560 ILE H H 560 9.306 9.306 8.458 0.848 18462 11849 1 16 . 1 1 561 561 ASN N N 561 114.751 114.751 113.194 1.557 18462 11850 1 16 . 1 1 561 561 ASN HA H 561 4.683 4.683 4.570 0.113 18462 11851 1 16 . 1 1 561 561 ASN C C 561 175.350 175.350 173.900 1.450 18462 11852 1 16 . 1 1 561 561 ASN CA C 561 50.797 50.797 51.845 -1.048 18462 11853 1 16 . 1 1 561 561 ASN CB C 561 39.777 39.777 39.239 0.538 18462 11854 1 16 . 1 1 561 561 ASN H H 561 7.387 7.387 7.535 -0.148 18462 11855 1 16 . 1 1 562 562 TYR N N 562 118.833 118.833 120.989 -2.156 18462 11856 1 16 . 1 1 562 562 TYR C C 562 172.730 172.730 176.833 -4.103 18462 11857 1 16 . 1 1 562 562 TYR CA C 562 59.907 59.907 61.820 -1.913 18462 11858 1 16 . 1 1 562 562 TYR CB C 562 38.480 38.480 38.257 0.223 18462 11859 1 16 . 1 1 562 562 TYR H H 562 8.243 8.243 8.183 0.060 18462 11860 1 16 . 1 1 563 563 GLN N N 563 119.525 119.525 118.308 1.217 18462 11861 1 16 . 1 1 563 563 GLN HA H 563 3.720 3.720 4.005 -0.285 18462 11862 1 16 . 1 1 563 563 GLN C C 563 176.326 176.326 178.297 -1.971 18462 11863 1 16 . 1 1 563 563 GLN CA C 563 61.102 61.102 59.649 1.453 18462 11864 1 16 . 1 1 563 563 GLN CB C 563 25.450 25.450 27.765 -2.315 18462 11865 1 16 . 1 1 563 563 GLN H H 563 8.524 8.524 8.356 0.168 18462 11866 1 16 . 1 1 564 564 PHE N N 564 118.625 118.625 120.556 -1.931 18462 11867 1 16 . 1 1 564 564 PHE HA H 564 4.427 4.427 4.129 0.298 18462 11868 1 16 . 1 1 564 564 PHE C C 564 179.429 179.429 177.598 1.831 18462 11869 1 16 . 1 1 564 564 PHE CA C 564 59.461 59.461 61.491 -2.030 18462 11870 1 16 . 1 1 564 564 PHE CB C 564 38.488 38.488 38.893 -0.405 18462 11871 1 16 . 1 1 564 564 PHE H H 564 8.904 8.904 9.131 -0.227 18462 11872 1 16 . 1 1 565 565 MET N N 565 120.996 120.996 120.167 0.829 18462 11873 1 16 . 1 1 565 565 MET HA H 565 3.720 3.720 3.188 0.532 18462 11874 1 16 . 1 1 565 565 MET C C 565 178.642 178.642 177.769 0.873 18462 11875 1 16 . 1 1 565 565 MET CA C 565 58.037 58.037 59.487 -1.450 18462 11876 1 16 . 1 1 565 565 MET H H 565 7.153 7.153 8.181 -1.028 18462 11877 1 16 . 1 1 566 566 SER N N 566 115.706 115.706 114.496 1.210 18462 11878 1 16 . 1 1 566 566 SER HA H 566 3.720 3.720 3.872 -0.152 18462 11879 1 16 . 1 1 566 566 SER C C 566 176.710 176.710 176.773 -0.063 18462 11880 1 16 . 1 1 566 566 SER CA C 566 60.633 60.633 61.356 -0.723 18462 11881 1 16 . 1 1 566 566 SER CB C 566 62.040 62.040 62.815 -0.775 18462 11882 1 16 . 1 1 566 566 SER H H 566 8.918 8.918 8.302 0.616 18462 11883 1 16 . 1 1 567 567 SER N N 567 114.335 114.335 117.370 -3.035 18462 11884 1 16 . 1 1 567 567 SER HA H 567 4.212 4.212 4.066 0.146 18462 11885 1 16 . 1 1 567 567 SER C C 567 176.849 176.849 176.788 0.061 18462 11886 1 16 . 1 1 567 567 SER CA C 567 60.868 60.868 61.582 -0.714 18462 11887 1 16 . 1 1 567 567 SER CB C 567 61.806 61.806 63.114 -1.308 18462 11888 1 16 . 1 1 567 567 SER H H 567 7.933 7.933 8.061 -0.128 18462 11889 1 16 . 1 1 568 568 HIS N N 568 120.659 120.659 122.948 -2.289 18462 11890 1 16 . 1 1 568 568 HIS HA H 568 4.327 4.327 4.344 -0.017 18462 11891 1 16 . 1 1 568 568 HIS C C 568 177.652 177.652 177.641 0.011 18462 11892 1 16 . 1 1 568 568 HIS CA C 568 58.992 58.992 59.235 -0.243 18462 11893 1 16 . 1 1 568 568 HIS CB C 568 27.234 27.234 29.155 -1.921 18462 11894 1 16 . 1 1 568 568 HIS H H 568 7.594 7.594 8.172 -0.578 18462 11895 1 16 . 1 1 569 569 ILE N N 569 120.858 120.858 119.802 1.056 18462 11896 1 16 . 1 1 569 569 ILE HA H 569 3.562 3.562 3.539 0.023 18462 11897 1 16 . 1 1 569 569 ILE C C 569 175.925 175.925 178.277 -2.352 18462 11898 1 16 . 1 1 569 569 ILE CA C 569 66.729 66.729 65.262 1.467 18462 11899 1 16 . 1 1 569 569 ILE CB C 569 37.198 37.198 37.771 -0.573 18462 11900 1 16 . 1 1 569 569 ILE H H 569 8.640 8.640 8.132 0.508 18462 11901 1 16 . 1 1 570 570 LYS N N 570 118.876 118.876 120.009 -1.133 18462 11902 1 16 . 1 1 570 570 LYS HA H 570 4.329 4.329 4.211 0.118 18462 11903 1 16 . 1 1 570 570 LYS C C 570 178.927 178.927 179.219 -0.292 18462 11904 1 16 . 1 1 570 570 LYS CA C 570 59.461 59.461 59.480 -0.019 18462 11905 1 16 . 1 1 570 570 LYS CB C 570 32.743 32.743 32.654 0.089 18462 11906 1 16 . 1 1 570 570 LYS H H 570 8.463 8.463 8.150 0.313 18462 11907 1 16 . 1 1 571 571 SER N N 571 112.612 112.612 113.839 -1.227 18462 11908 1 16 . 1 1 571 571 SER HA H 571 4.323 4.323 4.281 0.042 18462 11909 1 16 . 1 1 571 571 SER C C 571 179.258 179.258 176.126 3.132 18462 11910 1 16 . 1 1 571 571 SER CA C 571 59.930 59.930 61.401 -1.471 18462 11911 1 16 . 1 1 571 571 SER CB C 571 62.978 62.978 63.192 -0.214 18462 11912 1 16 . 1 1 571 571 SER H H 571 7.997 7.997 8.055 -0.058 18462 11913 1 16 . 1 1 572 572 VAL N N 572 120.208 120.208 121.055 -0.847 18462 11914 1 16 . 1 1 572 572 VAL HA H 572 3.789 3.789 3.791 -0.002 18462 11915 1 16 . 1 1 572 572 VAL C C 572 176.245 176.245 177.018 -0.773 18462 11916 1 16 . 1 1 572 572 VAL CA C 572 63.916 63.916 64.697 -0.781 18462 11917 1 16 . 1 1 572 572 VAL CB C 572 31.337 31.337 32.306 -0.969 18462 11918 1 16 . 1 1 572 572 VAL H H 572 8.615 8.615 8.185 0.430 18462 11919 1 16 . 1 1 573 573 HIS N N 573 113.735 113.735 116.130 -2.395 18462 11920 1 16 . 1 1 573 573 HIS HA H 573 5.102 5.102 4.700 0.402 18462 11921 1 16 . 1 1 573 573 HIS C C 573 177.042 177.042 175.146 1.896 18462 11922 1 16 . 1 1 573 573 HIS CA C 573 53.376 53.376 55.228 -1.852 18462 11923 1 16 . 1 1 573 573 HIS CB C 573 28.210 28.210 30.368 -2.158 18462 11924 1 16 . 1 1 573 573 HIS H H 573 7.067 7.067 7.457 -0.390 18462 11925 1 16 . 1 1 574 574 SER N N 574 112.537 112.537 113.906 -1.369 18462 11926 1 16 . 1 1 574 574 SER HA H 574 4.421 4.421 4.302 0.119 18462 11927 1 16 . 1 1 574 574 SER C C 574 174.525 174.525 173.743 0.782 18462 11928 1 16 . 1 1 574 574 SER CA C 574 58.054 58.054 59.571 -1.517 18462 11929 1 16 . 1 1 574 574 SER CB C 574 61.102 61.102 62.160 -1.058 18462 11930 1 16 . 1 1 574 574 SER H H 574 7.325 7.325 8.025 -0.700 18462 11931 1 16 . 1 1 575 575 GLN N N 575 117.032 117.032 117.742 -0.710 18462 11932 1 16 . 1 1 575 575 GLN HA H 575 4.659 4.659 4.514 0.145 18462 11933 1 16 . 1 1 575 575 GLN C C 575 173.993 173.993 173.380 0.613 18462 11934 1 16 . 1 1 575 575 GLN CA C 575 53.376 53.376 54.165 -0.789 18462 11935 1 16 . 1 1 575 575 GLN CB C 575 32.743 32.743 32.939 -0.196 18462 11936 1 16 . 1 1 575 575 GLN H H 575 7.480 7.480 7.277 0.203 18462 11937 1 16 . 1 1 576 576 ASP N N 576 118.953 118.953 121.183 -2.230 18462 11938 1 16 . 1 1 576 576 ASP HA H 576 4.992 4.992 4.953 0.039 18462 11939 1 16 . 1 1 576 576 ASP C C 576 173.387 173.387 176.064 -2.677 18462 11940 1 16 . 1 1 576 576 ASP CA C 576 50.094 50.094 50.071 0.023 18462 11941 1 16 . 1 1 576 576 ASP CB C 576 41.301 41.301 42.068 -0.767 18462 11942 1 16 . 1 1 576 576 ASP H H 576 8.173 8.173 8.548 -0.375 18462 11943 1 16 . 1 1 577 577 PRO HA H 577 4.629 4.629 4.706 -0.077 18462 11944 1 16 . 1 1 577 577 PRO CA C 577 63.212 63.212 63.937 -0.725 18462 11945 1 16 . 1 1 577 577 PRO CB C 577 31.806 31.806 32.701 -0.895 18462 11946 1 16 . 1 1 578 578 SER N N 578 114.986 114.986 112.940 2.046 18462 11947 1 16 . 1 1 578 578 SER HA H 578 4.820 4.820 4.464 0.356 18462 11948 1 16 . 1 1 578 578 SER C C 578 176.301 176.301 175.782 0.519 18462 11949 1 16 . 1 1 578 578 SER CA C 578 58.054 58.054 58.766 -0.712 18462 11950 1 16 . 1 1 578 578 SER CB C 578 63.447 63.447 63.270 0.177 18462 11951 1 16 . 1 1 578 578 SER H H 578 8.387 8.387 8.100 0.287 18462 11952 1 16 . 1 1 579 579 GLY N N 579 111.279 111.279 110.284 0.995 18462 11953 1 16 . 1 1 579 579 GLY C C 579 175.262 175.262 173.650 1.612 18462 11954 1 16 . 1 1 579 579 GLY CA C 579 44.935 44.935 45.024 -0.089 18462 11955 1 16 . 1 1 579 579 GLY H H 579 8.554 8.554 7.448 1.106 18462 11956 1 16 . 1 1 580 580 ASP N N 580 121.402 121.402 119.432 1.970 18462 11957 1 16 . 1 1 580 580 ASP HA H 580 4.700 4.700 4.822 -0.122 18462 11958 1 16 . 1 1 580 580 ASP C C 580 174.329 174.329 176.838 -2.509 18462 11959 1 16 . 1 1 580 580 ASP CA C 580 53.845 53.845 53.679 0.166 18462 11960 1 16 . 1 1 580 580 ASP CB C 580 40.012 40.012 40.364 -0.352 18462 11961 1 16 . 1 1 580 580 ASP H H 580 8.386 8.386 8.299 0.087 18462 11962 1 16 . 1 1 581 581 SER N N 581 115.668 115.668 116.769 -1.101 18462 11963 1 16 . 1 1 581 581 SER HA H 581 4.421 4.421 4.355 0.066 18462 11964 1 16 . 1 1 581 581 SER C C 581 176.108 176.108 174.643 1.465 18462 11965 1 16 . 1 1 581 581 SER CA C 581 58.054 58.054 59.020 -0.966 18462 11966 1 16 . 1 1 581 581 SER CB C 581 63.212 63.212 64.235 -1.023 18462 11967 1 16 . 1 1 581 581 SER H H 581 8.015 8.015 8.174 -0.159 18462 11968 1 16 . 1 1 582 582 LYS N N 582 120.544 120.544 120.126 0.418 18462 11969 1 16 . 1 1 582 582 LYS HA H 582 4.329 4.329 3.937 0.392 18462 11970 1 16 . 1 1 582 582 LYS C C 582 174.302 174.302 175.133 -0.831 18462 11971 1 16 . 1 1 582 582 LYS CA C 582 55.944 55.944 56.935 -0.991 18462 11972 1 16 . 1 1 582 582 LYS CB C 582 30.868 30.868 29.516 1.352 18462 11973 1 16 . 1 1 582 582 LYS H H 582 8.453 8.453 8.506 -0.053 18462 11974 1 16 . 1 1 583 583 LEU N N 583 119.514 119.514 119.068 0.446 18462 11975 1 16 . 1 1 583 583 LEU HA H 583 4.458 4.458 4.441 0.017 18462 11976 1 16 . 1 1 583 583 LEU C C 583 176.924 176.924 174.781 2.143 18462 11977 1 16 . 1 1 583 583 LEU CA C 583 54.303 54.303 54.137 0.166 18462 11978 1 16 . 1 1 583 583 LEU CB C 583 43.060 43.060 42.332 0.728 18462 11979 1 16 . 1 1 583 583 LEU H H 583 8.391 8.391 8.532 -0.141 18462 11980 1 16 . 1 1 584 584 TYR N N 584 115.291 115.291 114.232 1.059 18462 11981 1 16 . 1 1 584 584 TYR HA H 584 5.714 5.714 5.453 0.261 18462 11982 1 16 . 1 1 584 584 TYR C C 584 175.675 175.675 173.601 2.074 18462 11983 1 16 . 1 1 584 584 TYR CA C 584 54.303 54.303 55.153 -0.850 18462 11984 1 16 . 1 1 584 584 TYR CB C 584 42.420 42.420 41.745 0.675 18462 11985 1 16 . 1 1 584 584 TYR H H 584 7.625 7.625 6.972 0.653 18462 11986 1 16 . 1 1 585 585 ARG N N 585 120.321 120.321 120.835 -0.514 18462 11987 1 16 . 1 1 585 585 ARG HA H 585 4.407 4.407 4.644 -0.237 18462 11988 1 16 . 1 1 585 585 ARG C C 585 172.342 172.342 173.934 -1.592 18462 11989 1 16 . 1 1 585 585 ARG CA C 585 53.376 53.376 54.741 -1.365 18462 11990 1 16 . 1 1 585 585 ARG CB C 585 33.916 33.916 34.663 -0.747 18462 11991 1 16 . 1 1 585 585 ARG H H 585 9.141 9.141 8.980 0.161 18462 11992 1 16 . 1 1 586 586 LEU N N 586 129.013 129.013 128.897 0.116 18462 11993 1 16 . 1 1 586 586 LEU HA H 586 4.768 4.768 4.639 0.129 18462 11994 1 16 . 1 1 586 586 LEU C C 586 173.449 173.449 175.400 -1.951 18462 11995 1 16 . 1 1 586 586 LEU CA C 586 52.438 52.438 53.970 -1.532 18462 11996 1 16 . 1 1 586 586 LEU CB C 586 41.653 41.653 42.122 -0.469 18462 11997 1 16 . 1 1 586 586 LEU H H 586 8.581 8.581 8.657 -0.076 18462 11998 1 16 . 1 1 587 587 HIS N N 587 127.447 127.447 127.326 0.121 18462 11999 1 16 . 1 1 587 587 HIS HA H 587 4.650 4.650 4.733 -0.083 18462 12000 1 16 . 1 1 587 587 HIS C C 587 175.512 175.512 173.610 1.902 18462 12001 1 16 . 1 1 587 587 HIS CA C 587 55.544 55.544 54.959 0.585 18462 12002 1 16 . 1 1 587 587 HIS CB C 587 29.930 29.930 30.077 -0.147 18462 12003 1 16 . 1 1 587 587 HIS H H 587 9.132 9.132 8.458 0.674 18462 12004 1 16 . 1 1 588 588 PRO HA H 588 4.441 4.441 4.291 0.150 18462 12005 1 16 . 1 1 588 588 PRO CA C 588 62.509 62.509 63.372 -0.863 18462 12006 1 16 . 1 1 588 588 PRO CB C 588 31.688 31.688 32.280 -0.592 18462 12007 1 16 . 1 1 589 589 CYS N N 589 124.057 124.057 123.145 0.912 18462 12008 1 16 . 1 1 589 589 CYS HA H 589 4.275 4.275 4.480 -0.205 18462 12009 1 16 . 1 1 589 589 CYS C C 589 174.401 174.401 175.165 -0.764 18462 12010 1 16 . 1 1 589 589 CYS CA C 589 58.289 58.289 58.178 0.111 18462 12011 1 16 . 1 1 589 589 CYS CB C 589 26.413 26.413 27.677 -1.264 18462 12012 1 16 . 1 1 589 589 CYS H H 589 9.475 9.475 8.568 0.907 18462 12013 1 16 . 1 1 590 590 ARG N N 590 130.942 130.942 127.728 3.214 18462 12014 1 16 . 1 1 590 590 ARG HA H 590 4.689 4.689 4.557 0.132 18462 12015 1 16 . 1 1 590 590 ARG C C 590 175.091 175.091 177.311 -2.220 18462 12016 1 16 . 1 1 590 590 ARG CA C 590 55.241 55.241 56.103 -0.862 18462 12017 1 16 . 1 1 590 590 ARG CB C 590 30.633 30.633 30.702 -0.069 18462 12018 1 16 . 1 1 590 590 ARG H H 590 7.227 7.227 8.754 -1.527 18462 12019 1 16 . 1 1 591 591 SER N N 591 117.243 117.243 114.177 3.066 18462 12020 1 16 . 1 1 591 591 SER HA H 591 4.342 4.342 4.346 -0.004 18462 12021 1 16 . 1 1 591 591 SER C C 591 178.367 178.367 174.514 3.853 18462 12022 1 16 . 1 1 591 591 SER CA C 591 59.695 59.695 60.795 -1.100 18462 12023 1 16 . 1 1 591 591 SER CB C 591 61.923 61.923 63.672 -1.748 18462 12024 1 16 . 1 1 591 591 SER H H 591 9.571 9.571 8.856 0.715 18462 12025 1 16 . 1 1 592 592 LEU N N 592 121.308 121.308 118.522 2.786 18462 12026 1 16 . 1 1 592 592 LEU HA H 592 4.778 4.778 4.590 0.188 18462 12027 1 16 . 1 1 592 592 LEU C C 592 173.260 173.260 176.304 -3.044 18462 12028 1 16 . 1 1 592 592 LEU CA C 592 52.846 52.846 53.803 -0.957 18462 12029 1 16 . 1 1 592 592 LEU CB C 592 45.404 45.404 43.398 2.006 18462 12030 1 16 . 1 1 592 592 LEU H H 592 7.369 7.369 7.579 -0.210 18462 12031 1 16 . 1 1 593 593 GLN N N 593 122.109 122.109 120.406 1.703 18462 12032 1 16 . 1 1 593 593 GLN HA H 593 4.564 4.564 4.578 -0.014 18462 12033 1 16 . 1 1 593 593 GLN C C 593 175.827 175.827 174.873 0.954 18462 12034 1 16 . 1 1 593 593 GLN CA C 593 54.303 54.303 55.448 -1.145 18462 12035 1 16 . 1 1 593 593 GLN CB C 593 26.882 26.882 27.588 -0.706 18462 12036 1 16 . 1 1 593 593 GLN H H 593 8.599 8.599 8.559 0.040 18462 12037 1 16 . 1 1 594 594 ILE N N 594 118.085 118.085 119.546 -1.461 18462 12038 1 16 . 1 1 594 594 ILE HA H 594 4.755 4.755 4.581 0.174 18462 12039 1 16 . 1 1 594 594 ILE C C 594 175.093 175.093 174.469 0.624 18462 12040 1 16 . 1 1 594 594 ILE CA C 594 58.831 58.831 59.603 -0.772 18462 12041 1 16 . 1 1 594 594 ILE CB C 594 42.591 42.591 40.606 1.985 18462 12042 1 16 . 1 1 594 594 ILE H H 594 7.635 7.635 7.959 -0.324 18462 12043 1 16 . 1 1 595 595 ARG N N 595 123.800 123.800 121.173 2.627 18462 12044 1 16 . 1 1 595 595 ARG HA H 595 4.038 4.038 4.342 -0.304 18462 12045 1 16 . 1 1 595 595 ARG C C 595 175.440 175.440 175.790 -0.350 18462 12046 1 16 . 1 1 595 595 ARG CA C 595 56.386 56.386 55.778 0.608 18462 12047 1 16 . 1 1 595 595 ARG CB C 595 30.516 30.516 30.653 -0.137 18462 12048 1 16 . 1 1 595 595 ARG H H 595 9.075 9.075 8.215 0.860 18462 12049 1 16 . 1 1 596 596 GLN N N 596 124.290 124.290 122.380 1.910 18462 12050 1 16 . 1 1 596 596 GLN HA H 596 4.420 4.420 4.393 0.027 18462 12051 1 16 . 1 1 596 596 GLN C C 596 174.630 174.630 175.008 -0.378 18462 12052 1 16 . 1 1 596 596 GLN CA C 596 52.907 52.907 54.491 -1.584 18462 12053 1 16 . 1 1 596 596 GLN CB C 596 30.164 30.164 28.939 1.226 18462 12054 1 16 . 1 1 596 596 GLN H H 596 8.495 8.495 8.429 0.066 18462 12055 1 16 . 1 1 597 597 TYR N N 597 121.829 121.829 122.209 -0.380 18462 12056 1 16 . 1 1 597 597 TYR HA H 597 4.767 4.767 4.253 0.514 18462 12057 1 16 . 1 1 597 597 TYR C C 597 175.453 175.453 177.030 -1.577 18462 12058 1 16 . 1 1 597 597 TYR CA C 597 57.467 57.467 58.250 -0.783 18462 12059 1 16 . 1 1 597 597 TYR CB C 597 38.839 38.839 38.777 0.062 18462 12060 1 16 . 1 1 597 597 TYR H H 597 7.966 7.966 8.368 -0.402 18462 12061 1 16 . 1 1 598 598 ALA N N 598 129.272 129.272 127.258 2.014 18462 12062 1 16 . 1 1 598 598 ALA HA H 598 4.191 4.191 4.076 0.115 18462 12063 1 16 . 1 1 598 598 ALA C C 598 177.425 177.425 177.931 -0.506 18462 12064 1 16 . 1 1 598 598 ALA CA C 598 54.040 54.040 54.425 -0.385 18462 12065 1 16 . 1 1 598 598 ALA CB C 598 17.749 17.749 18.479 -0.730 18462 12066 1 16 . 1 1 598 598 ALA H H 598 9.540 9.540 8.971 0.569 18462 12067 1 16 . 1 1 599 599 TYR N N 599 115.845 115.845 113.677 2.168 18462 12068 1 16 . 1 1 599 599 TYR HA H 599 4.560 4.560 4.472 0.088 18462 12069 1 16 . 1 1 599 599 TYR C C 599 173.276 173.276 176.001 -2.725 18462 12070 1 16 . 1 1 599 599 TYR CA C 599 58.172 58.172 58.404 -0.232 18462 12071 1 16 . 1 1 599 599 TYR CB C 599 36.432 36.432 37.774 -1.342 18462 12072 1 16 . 1 1 599 599 TYR H H 599 8.496 8.496 8.008 0.488 18462 12073 1 16 . 1 1 600 600 LEU N N 600 120.764 120.764 118.308 2.456 18462 12074 1 16 . 1 1 600 600 LEU HA H 600 4.260 4.260 4.147 0.113 18462 12075 1 16 . 1 1 600 600 LEU C C 600 176.164 176.164 178.476 -2.312 18462 12076 1 16 . 1 1 600 600 LEU CA C 600 54.303 54.303 55.243 -0.940 18462 12077 1 16 . 1 1 600 600 LEU CB C 600 41.419 41.419 41.101 0.318 18462 12078 1 16 . 1 1 600 600 LEU H H 600 7.299 7.299 7.323 -0.024 18462 12079 1 16 . 1 1 601 601 SER N N 601 114.419 114.419 114.593 -0.174 18462 12080 1 16 . 1 1 601 601 SER HA H 601 4.418 4.418 4.249 0.169 18462 12081 1 16 . 1 1 601 601 SER C C 601 177.754 177.754 174.656 3.098 18462 12082 1 16 . 1 1 601 601 SER CA C 601 58.054 58.054 60.560 -2.506 18462 12083 1 16 . 1 1 601 601 SER CB C 601 63.212 63.212 63.782 -0.570 18462 12084 1 16 . 1 1 601 601 SER H H 601 7.896 7.896 7.616 0.280 18462 12085 1 16 . 1 1 602 602 ASP N N 602 122.293 122.293 118.243 4.050 18462 12086 1 16 . 1 1 602 602 ASP HA H 602 4.651 4.651 4.785 -0.134 18462 12087 1 16 . 1 1 602 602 ASP C C 602 174.087 174.087 175.064 -0.977 18462 12088 1 16 . 1 1 602 602 ASP CA C 602 53.845 53.845 53.284 0.561 18462 12089 1 16 . 1 1 602 602 ASP CB C 602 40.481 40.481 42.762 -2.281 18462 12090 1 16 . 1 1 602 602 ASP H H 602 8.257 8.257 7.690 0.567 18462 12091 1 16 . 1 1 603 603 ARG N N 603 121.398 121.398 125.248 -3.850 18462 12092 1 16 . 1 1 603 603 ARG HA H 603 4.454 4.454 4.242 0.212 18462 12093 1 16 . 1 1 603 603 ARG C C 603 176.111 176.111 176.161 -0.050 18462 12094 1 16 . 1 1 603 603 ARG CA C 603 55.241 55.241 57.206 -1.965 18462 12095 1 16 . 1 1 603 603 ARG CB C 603 30.164 30.164 30.653 -0.489 18462 12096 1 16 . 1 1 603 603 ARG H H 603 8.234 8.234 8.607 -0.373 18462 12097 1 17 . 1 1 473 473 ASN HA H 473 4.815 4.815 4.894 -0.079 18462 12098 1 17 . 1 1 473 473 ASN CA C 473 52.204 52.204 52.139 0.065 18462 12099 1 17 . 1 1 473 473 ASN CB C 473 38.371 38.371 39.252 -0.881 18462 12100 1 17 . 1 1 474 474 LYS N N 474 122.150 122.150 119.841 2.309 18462 12101 1 17 . 1 1 474 474 LYS HA H 474 4.375 4.375 4.370 0.005 18462 12102 1 17 . 1 1 474 474 LYS C C 474 174.965 174.965 176.194 -1.229 18462 12103 1 17 . 1 1 474 474 LYS CA C 474 55.944 55.944 56.380 -0.436 18462 12104 1 17 . 1 1 474 474 LYS CB C 474 32.405 32.405 33.060 -0.656 18462 12105 1 17 . 1 1 474 474 LYS H H 474 8.586 8.586 8.377 0.209 18462 12106 1 17 . 1 1 475 475 ARG N N 475 122.278 122.278 121.111 1.167 18462 12107 1 17 . 1 1 475 475 ARG HA H 475 4.374 4.374 4.490 -0.116 18462 12108 1 17 . 1 1 475 475 ARG C C 475 176.695 176.695 175.559 1.136 18462 12109 1 17 . 1 1 475 475 ARG CA C 475 55.944 55.944 55.979 -0.035 18462 12110 1 17 . 1 1 475 475 ARG CB C 475 30.164 30.164 32.875 -2.711 18462 12111 1 17 . 1 1 475 475 ARG H H 475 8.662 8.662 8.476 0.186 18462 12112 1 17 . 1 1 476 476 MET N N 476 122.046 122.046 124.057 -2.011 18462 12113 1 17 . 1 1 476 476 MET HA H 476 4.496 4.496 4.637 -0.141 18462 12114 1 17 . 1 1 476 476 MET C C 476 176.359 176.359 175.747 0.612 18462 12115 1 17 . 1 1 476 476 MET CA C 476 54.537 54.537 55.423 -0.886 18462 12116 1 17 . 1 1 476 476 MET CB C 476 32.509 32.509 31.680 0.829 18462 12117 1 17 . 1 1 476 476 MET H H 476 8.490 8.490 8.685 -0.195 18462 12118 1 17 . 1 1 477 477 LYS N N 477 123.768 123.768 121.304 2.464 18462 12119 1 17 . 1 1 477 477 LYS HA H 477 4.384 4.384 4.494 -0.110 18462 12120 1 17 . 1 1 477 477 LYS C C 477 176.015 176.015 174.877 1.138 18462 12121 1 17 . 1 1 477 477 LYS CA C 477 55.834 55.834 56.639 -0.805 18462 12122 1 17 . 1 1 477 477 LYS CB C 477 32.107 32.107 31.353 0.754 18462 12123 1 17 . 1 1 477 477 LYS H H 477 8.472 8.472 8.478 -0.006 18462 12124 1 17 . 1 1 478 478 VAL N N 478 122.460 122.460 118.053 4.407 18462 12125 1 17 . 1 1 478 478 VAL HA H 478 4.054 4.054 4.444 -0.390 18462 12126 1 17 . 1 1 478 478 VAL C C 478 176.320 176.320 174.698 1.622 18462 12127 1 17 . 1 1 478 478 VAL CA C 478 61.337 61.337 60.386 0.951 18462 12128 1 17 . 1 1 478 478 VAL CB C 478 32.275 32.275 33.654 -1.379 18462 12129 1 17 . 1 1 478 478 VAL H H 478 8.230 8.230 7.740 0.490 18462 12130 1 17 . 1 1 479 479 LYS N N 479 126.119 126.119 122.067 4.052 18462 12131 1 17 . 1 1 479 479 LYS HA H 479 4.365 4.365 4.495 -0.130 18462 12132 1 17 . 1 1 479 479 LYS C C 479 175.605 175.605 175.740 -0.135 18462 12133 1 17 . 1 1 479 479 LYS CA C 479 55.006 55.006 56.048 -1.042 18462 12134 1 17 . 1 1 479 479 LYS CB C 479 32.098 32.098 33.160 -1.062 18462 12135 1 17 . 1 1 479 479 LYS H H 479 8.453 8.453 7.910 0.543 18462 12136 1 17 . 1 1 480 480 HIS N N 480 121.065 121.065 120.260 0.805 18462 12137 1 17 . 1 1 480 480 HIS HA H 480 4.713 4.713 4.831 -0.118 18462 12138 1 17 . 1 1 480 480 HIS C C 480 175.937 175.937 175.243 0.694 18462 12139 1 17 . 1 1 480 480 HIS CA C 480 54.537 54.537 55.719 -1.182 18462 12140 1 17 . 1 1 480 480 HIS CB C 480 30.047 30.047 31.959 -1.912 18462 12141 1 17 . 1 1 480 480 HIS H H 480 8.559 8.559 8.476 0.083 18462 12142 1 17 . 1 1 481 481 ASP HA H 481 4.392 4.392 4.588 -0.196 18462 12143 1 17 . 1 1 481 481 ASP C C 481 174.413 174.413 176.205 -1.792 18462 12144 1 17 . 1 1 481 481 ASP CA C 481 52.907 52.907 54.409 -1.502 18462 12145 1 17 . 1 1 481 481 ASP CB C 481 39.543 39.543 40.822 -1.279 18462 12146 1 17 . 1 1 482 482 ASP N N 482 118.362 118.362 119.669 -1.307 18462 12147 1 17 . 1 1 482 482 ASP HA H 482 4.710 4.710 4.592 0.118 18462 12148 1 17 . 1 1 482 482 ASP C C 482 175.104 175.104 174.983 0.121 18462 12149 1 17 . 1 1 482 482 ASP CA C 482 53.376 53.376 54.812 -1.435 18462 12150 1 17 . 1 1 482 482 ASP CB C 482 39.308 39.308 40.351 -1.043 18462 12151 1 17 . 1 1 482 482 ASP H H 482 8.216 8.216 8.574 -0.358 18462 12152 1 17 . 1 1 483 483 HIS N N 483 113.578 113.578 113.369 0.209 18462 12153 1 17 . 1 1 483 483 HIS HA H 483 5.886 5.886 5.382 0.504 18462 12154 1 17 . 1 1 483 483 HIS C C 483 175.274 175.274 172.672 2.602 18462 12155 1 17 . 1 1 483 483 HIS CA C 483 55.241 55.241 54.944 0.297 18462 12156 1 17 . 1 1 483 483 HIS CB C 483 32.040 32.040 32.018 0.022 18462 12157 1 17 . 1 1 483 483 HIS H H 483 7.692 7.692 7.147 0.545 18462 12158 1 17 . 1 1 484 484 TYR N N 484 116.271 116.271 115.161 1.110 18462 12159 1 17 . 1 1 484 484 TYR HA H 484 5.003 5.003 4.912 0.091 18462 12160 1 17 . 1 1 484 484 TYR C C 484 180.038 180.038 173.598 6.440 18462 12161 1 17 . 1 1 484 484 TYR CA C 484 55.241 55.241 56.331 -1.090 18462 12162 1 17 . 1 1 484 484 TYR CB C 484 39.777 39.777 40.562 -0.785 18462 12163 1 17 . 1 1 484 484 TYR H H 484 8.493 8.493 8.900 -0.407 18462 12164 1 17 . 1 1 485 485 GLU N N 485 120.840 120.840 121.580 -0.740 18462 12165 1 17 . 1 1 485 485 GLU HA H 485 5.301 5.301 4.929 0.372 18462 12166 1 17 . 1 1 485 485 GLU C C 485 174.101 174.101 175.407 -1.306 18462 12167 1 17 . 1 1 485 485 GLU CA C 485 54.772 54.772 55.446 -0.674 18462 12168 1 17 . 1 1 485 485 GLU CB C 485 31.337 31.337 31.750 -0.413 18462 12169 1 17 . 1 1 485 485 GLU H H 485 8.873 8.873 8.726 0.147 18462 12170 1 17 . 1 1 486 486 LEU N N 486 125.807 125.807 127.422 -1.615 18462 12171 1 17 . 1 1 486 486 LEU HA H 486 4.762 4.762 4.827 -0.065 18462 12172 1 17 . 1 1 486 486 LEU C C 486 175.613 175.613 174.951 0.662 18462 12173 1 17 . 1 1 486 486 LEU CA C 486 53.645 53.645 53.942 -0.297 18462 12174 1 17 . 1 1 486 486 LEU CB C 486 45.873 45.873 44.716 1.157 18462 12175 1 17 . 1 1 486 486 LEU H H 486 8.957 8.957 8.925 0.032 18462 12176 1 17 . 1 1 487 487 ILE N N 487 125.332 125.332 128.070 -2.738 18462 12177 1 17 . 1 1 487 487 ILE HA H 487 5.007 5.007 4.410 0.597 18462 12178 1 17 . 1 1 487 487 ILE C C 487 174.543 174.543 175.514 -0.971 18462 12179 1 17 . 1 1 487 487 ILE CA C 487 59.695 59.695 61.501 -1.806 18462 12180 1 17 . 1 1 487 487 ILE CB C 487 37.433 37.433 38.316 -0.883 18462 12181 1 17 . 1 1 487 487 ILE H H 487 8.549 8.549 8.540 0.009 18462 12182 1 17 . 1 1 488 488 VAL N N 488 129.307 129.307 128.559 0.748 18462 12183 1 17 . 1 1 488 488 VAL HA H 488 4.304 4.304 4.133 0.171 18462 12184 1 17 . 1 1 488 488 VAL C C 488 176.678 176.678 174.995 1.683 18462 12185 1 17 . 1 1 488 488 VAL CA C 488 60.868 60.868 60.770 0.098 18462 12186 1 17 . 1 1 488 488 VAL CB C 488 33.681 33.681 34.433 -0.752 18462 12187 1 17 . 1 1 488 488 VAL H H 488 9.456 9.456 8.573 0.883 18462 12188 1 17 . 1 1 489 489 ASP N N 489 128.884 128.884 129.157 -0.273 18462 12189 1 17 . 1 1 489 489 ASP HA H 489 4.301 4.301 4.228 0.073 18462 12190 1 17 . 1 1 489 489 ASP C C 489 176.084 176.084 176.756 -0.672 18462 12191 1 17 . 1 1 489 489 ASP CA C 489 54.537 54.537 54.671 -0.134 18462 12192 1 17 . 1 1 489 489 ASP CB C 489 39.074 39.074 40.257 -1.183 18462 12193 1 17 . 1 1 489 489 ASP H H 489 9.144 9.144 8.911 0.233 18462 12194 1 17 . 1 1 490 490 GLY N N 490 102.410 102.410 104.157 -1.747 18462 12195 1 17 . 1 1 490 490 GLY C C 490 175.998 175.998 174.092 1.906 18462 12196 1 17 . 1 1 490 490 GLY CA C 490 44.818 44.818 44.992 -0.174 18462 12197 1 17 . 1 1 490 490 GLY H H 490 8.210 8.210 8.109 0.101 18462 12198 1 17 . 1 1 491 491 ARG N N 491 122.605 122.605 121.987 0.618 18462 12199 1 17 . 1 1 491 491 ARG HA H 491 4.597 4.597 4.466 0.131 18462 12200 1 17 . 1 1 491 491 ARG C C 491 173.256 173.256 175.130 -1.874 18462 12201 1 17 . 1 1 491 491 ARG CA C 491 53.610 53.610 55.046 -1.436 18462 12202 1 17 . 1 1 491 491 ARG CB C 491 32.040 32.040 31.454 0.586 18462 12203 1 17 . 1 1 491 491 ARG H H 491 7.938 7.938 7.733 0.205 18462 12204 1 17 . 1 1 492 492 VAL N N 492 123.769 123.769 124.016 -0.247 18462 12205 1 17 . 1 1 492 492 VAL HA H 492 4.128 4.128 3.793 0.335 18462 12206 1 17 . 1 1 492 492 VAL C C 492 173.470 173.470 175.258 -1.788 18462 12207 1 17 . 1 1 492 492 VAL CA C 492 62.210 62.210 62.820 -0.610 18462 12208 1 17 . 1 1 492 492 VAL CB C 492 32.040 32.040 31.905 0.135 18462 12209 1 17 . 1 1 492 492 VAL H H 492 8.157 8.157 8.483 -0.326 18462 12210 1 17 . 1 1 493 493 TYR N N 493 124.842 124.842 127.863 -3.021 18462 12211 1 17 . 1 1 493 493 TYR HA H 493 4.632 4.632 4.880 -0.248 18462 12212 1 17 . 1 1 493 493 TYR C C 493 174.288 174.288 175.579 -1.291 18462 12213 1 17 . 1 1 493 493 TYR CA C 493 56.308 56.308 53.959 2.349 18462 12214 1 17 . 1 1 493 493 TYR CB C 493 40.481 40.481 38.718 1.762 18462 12215 1 17 . 1 1 493 493 TYR H H 493 8.981 8.981 8.668 0.313 18462 12216 1 17 . 1 1 494 494 TYR N N 494 120.511 120.511 123.709 -3.198 18462 12217 1 17 . 1 1 494 494 TYR HA H 494 4.763 4.763 4.894 -0.131 18462 12218 1 17 . 1 1 494 494 TYR C C 494 173.811 173.811 175.716 -1.905 18462 12219 1 17 . 1 1 494 494 TYR CA C 494 56.764 56.764 58.218 -1.454 18462 12220 1 17 . 1 1 494 494 TYR CB C 494 38.722 38.722 38.166 0.555 18462 12221 1 17 . 1 1 494 494 TYR H H 494 9.235 9.235 8.651 0.584 18462 12222 1 17 . 1 1 495 495 ILE N N 495 124.930 124.930 122.682 2.248 18462 12223 1 17 . 1 1 495 495 ILE HA H 495 4.780 4.780 4.861 -0.081 18462 12224 1 17 . 1 1 495 495 ILE C C 495 174.764 174.764 175.452 -0.688 18462 12225 1 17 . 1 1 495 495 ILE CA C 495 57.714 57.714 59.126 -1.412 18462 12226 1 17 . 1 1 495 495 ILE CB C 495 36.729 36.729 40.834 -4.105 18462 12227 1 17 . 1 1 495 495 ILE H H 495 9.136 9.136 9.134 0.002 18462 12228 1 17 . 1 1 496 496 CYS N N 496 127.535 127.535 127.264 0.271 18462 12229 1 17 . 1 1 496 496 CYS HA H 496 4.745 4.745 4.764 -0.019 18462 12230 1 17 . 1 1 496 496 CYS C C 496 176.128 176.128 176.903 -0.775 18462 12231 1 17 . 1 1 496 496 CYS CA C 496 60.574 60.574 58.945 1.629 18462 12232 1 17 . 1 1 496 496 CYS CB C 496 29.227 29.227 27.996 1.231 18462 12233 1 17 . 1 1 496 496 CYS H H 496 9.016 9.016 8.547 0.469 18462 12234 1 17 . 1 1 497 497 ILE N N 497 129.645 129.645 126.596 3.049 18462 12235 1 17 . 1 1 497 497 ILE HA H 497 4.176 4.176 4.220 -0.044 18462 12236 1 17 . 1 1 497 497 ILE C C 497 177.925 177.925 176.860 1.065 18462 12237 1 17 . 1 1 497 497 ILE CA C 497 63.447 63.447 64.563 -1.116 18462 12238 1 17 . 1 1 497 497 ILE CB C 497 39.543 39.543 37.811 1.732 18462 12239 1 17 . 1 1 497 497 ILE H H 497 8.295 8.295 8.396 -0.101 18462 12240 1 17 . 1 1 498 498 VAL N N 498 123.791 123.791 121.717 2.074 18462 12241 1 17 . 1 1 498 498 VAL HA H 498 3.939 3.939 3.760 0.179 18462 12242 1 17 . 1 1 498 498 VAL C C 498 176.127 176.127 177.443 -1.316 18462 12243 1 17 . 1 1 498 498 VAL CA C 498 64.619 64.619 65.502 -0.883 18462 12244 1 17 . 1 1 498 498 VAL CB C 498 32.275 32.275 31.311 0.964 18462 12245 1 17 . 1 1 498 498 VAL H H 498 8.993 8.993 8.263 0.730 18462 12246 1 17 . 1 1 499 499 CYS N N 499 117.267 117.267 111.783 5.484 18462 12247 1 17 . 1 1 499 499 CYS HA H 499 5.157 5.157 4.853 0.304 18462 12248 1 17 . 1 1 499 499 CYS C C 499 177.106 177.106 174.985 2.121 18462 12249 1 17 . 1 1 499 499 CYS CA C 499 57.820 57.820 57.462 0.358 18462 12250 1 17 . 1 1 499 499 CYS CB C 499 31.571 31.571 29.621 1.950 18462 12251 1 17 . 1 1 499 499 CYS H H 499 8.307 8.307 7.978 0.329 18462 12252 1 17 . 1 1 500 500 LYS N N 500 117.950 117.950 118.975 -1.025 18462 12253 1 17 . 1 1 500 500 LYS HA H 500 4.306 4.306 4.075 0.231 18462 12254 1 17 . 1 1 500 500 LYS C C 500 175.869 175.869 175.418 0.451 18462 12255 1 17 . 1 1 500 500 LYS CA C 500 57.585 57.585 57.216 0.369 18462 12256 1 17 . 1 1 500 500 LYS CB C 500 28.289 28.289 29.682 -1.393 18462 12257 1 17 . 1 1 500 500 LYS H H 500 8.169 8.169 8.267 -0.098 18462 12258 1 17 . 1 1 501 501 ARG N N 501 121.270 121.270 119.756 1.514 18462 12259 1 17 . 1 1 501 501 ARG HA H 501 4.090 4.090 4.201 -0.111 18462 12260 1 17 . 1 1 501 501 ARG C C 501 175.587 175.587 175.666 -0.079 18462 12261 1 17 . 1 1 501 501 ARG CA C 501 58.289 58.289 55.868 2.421 18462 12262 1 17 . 1 1 501 501 ARG CB C 501 29.694 29.694 31.182 -1.488 18462 12263 1 17 . 1 1 501 501 ARG H H 501 8.071 8.071 7.785 0.286 18462 12264 1 17 . 1 1 502 502 SER N N 502 112.997 112.997 117.927 -4.930 18462 12265 1 17 . 1 1 502 502 SER HA H 502 5.003 5.003 4.731 0.272 18462 12266 1 17 . 1 1 502 502 SER C C 502 174.417 174.417 173.233 1.184 18462 12267 1 17 . 1 1 502 502 SER CA C 502 55.475 55.475 57.233 -1.758 18462 12268 1 17 . 1 1 502 502 SER CB C 502 65.088 65.088 64.409 0.679 18462 12269 1 17 . 1 1 502 502 SER H H 502 7.553 7.553 8.280 -0.727 18462 12270 1 17 . 1 1 503 503 TYR N N 503 121.115 121.115 122.290 -1.175 18462 12271 1 17 . 1 1 503 503 TYR HA H 503 4.996 4.996 4.565 0.431 18462 12272 1 17 . 1 1 503 503 TYR C C 503 173.707 173.707 175.487 -1.780 18462 12273 1 17 . 1 1 503 503 TYR CA C 503 57.585 57.585 57.581 0.004 18462 12274 1 17 . 1 1 503 503 TYR CB C 503 42.244 42.244 41.552 0.692 18462 12275 1 17 . 1 1 503 503 TYR H H 503 8.958 8.958 8.686 0.272 18462 12276 1 17 . 1 1 504 504 VAL N N 504 119.390 119.390 121.477 -2.087 18462 12277 1 17 . 1 1 504 504 VAL HA H 504 4.376 4.376 4.020 0.356 18462 12278 1 17 . 1 1 504 504 VAL C C 504 176.390 176.390 176.332 0.058 18462 12279 1 17 . 1 1 504 504 VAL CA C 504 62.275 62.275 63.695 -1.420 18462 12280 1 17 . 1 1 504 504 VAL CB C 504 33.025 33.025 31.721 1.304 18462 12281 1 17 . 1 1 504 504 VAL H H 504 9.988 9.988 8.586 1.402 18462 12282 1 17 . 1 1 505 505 CYS N N 505 113.800 113.800 115.709 -1.909 18462 12283 1 17 . 1 1 505 505 CYS HA H 505 4.998 4.998 4.755 0.243 18462 12284 1 17 . 1 1 505 505 CYS C C 505 176.603 176.603 174.984 1.619 18462 12285 1 17 . 1 1 505 505 CYS CA C 505 56.647 56.647 56.755 -0.108 18462 12286 1 17 . 1 1 505 505 CYS CB C 505 38.406 38.406 31.396 7.010 18462 12287 1 17 . 1 1 505 505 CYS H H 505 7.518 7.518 7.655 -0.137 18462 12288 1 17 . 1 1 506 506 LEU N N 506 129.535 129.535 122.804 6.731 18462 12289 1 17 . 1 1 506 506 LEU HA H 506 3.325 3.325 3.746 -0.421 18462 12290 1 17 . 1 1 506 506 LEU C C 506 174.727 174.727 177.978 -3.251 18462 12291 1 17 . 1 1 506 506 LEU CA C 506 56.647 56.647 57.195 -0.548 18462 12292 1 17 . 1 1 506 506 LEU CB C 506 39.308 39.308 41.348 -2.040 18462 12293 1 17 . 1 1 506 506 LEU H H 506 8.602 8.602 8.546 0.056 18462 12294 1 17 . 1 1 507 507 THR N N 507 108.833 108.833 111.049 -2.216 18462 12295 1 17 . 1 1 507 507 THR HA H 507 3.820 3.820 3.935 -0.115 18462 12296 1 17 . 1 1 507 507 THR C C 507 178.905 178.905 176.333 2.572 18462 12297 1 17 . 1 1 507 507 THR CA C 507 64.150 64.150 65.426 -1.276 18462 12298 1 17 . 1 1 507 507 THR CB C 507 66.260 66.260 68.178 -1.918 18462 12299 1 17 . 1 1 507 507 THR H H 507 8.087 8.087 8.131 -0.044 18462 12300 1 17 . 1 1 508 508 SER N N 508 119.009 119.009 116.949 2.060 18462 12301 1 17 . 1 1 508 508 SER HA H 508 4.123 4.123 4.115 0.008 18462 12302 1 17 . 1 1 508 508 SER C C 508 178.467 178.467 176.000 2.467 18462 12303 1 17 . 1 1 508 508 SER CA C 508 59.461 59.461 60.703 -1.242 18462 12304 1 17 . 1 1 508 508 SER CB C 508 62.978 62.978 62.703 0.275 18462 12305 1 17 . 1 1 508 508 SER H H 508 7.230 7.230 8.194 -0.965 18462 12306 1 17 . 1 1 509 509 LEU N N 509 127.365 127.365 124.216 3.149 18462 12307 1 17 . 1 1 509 509 LEU HA H 509 3.216 3.216 3.378 -0.162 18462 12308 1 17 . 1 1 509 509 LEU C C 509 176.740 176.740 177.745 -1.005 18462 12309 1 17 . 1 1 509 509 LEU CA C 509 57.351 57.351 57.708 -0.357 18462 12310 1 17 . 1 1 509 509 LEU CB C 509 39.074 39.074 41.771 -2.697 18462 12311 1 17 . 1 1 509 509 LEU H H 509 7.114 7.114 6.997 0.117 18462 12312 1 17 . 1 1 510 510 ARG N N 510 119.955 119.955 118.630 1.325 18462 12313 1 17 . 1 1 510 510 ARG HA H 510 3.843 3.843 3.818 0.025 18462 12314 1 17 . 1 1 510 510 ARG C C 510 178.472 178.472 178.674 -0.202 18462 12315 1 17 . 1 1 510 510 ARG CA C 510 61.766 61.766 58.676 3.090 18462 12316 1 17 . 1 1 510 510 ARG CB C 510 28.992 28.992 29.170 -0.178 18462 12317 1 17 . 1 1 510 510 ARG H H 510 8.100 8.100 8.415 -0.315 18462 12318 1 17 . 1 1 511 511 ARG N N 511 120.947 120.947 118.396 2.551 18462 12319 1 17 . 1 1 511 511 ARG HA H 511 4.078 4.078 3.903 0.175 18462 12320 1 17 . 1 1 511 511 ARG C C 511 178.262 178.262 178.456 -0.194 18462 12321 1 17 . 1 1 511 511 ARG CA C 511 59.054 59.054 59.002 0.052 18462 12322 1 17 . 1 1 511 511 ARG CB C 511 29.695 29.695 29.914 -0.219 18462 12323 1 17 . 1 1 511 511 ARG H H 511 7.802 7.802 7.791 0.011 18462 12324 1 17 . 1 1 512 512 HIS N N 512 116.820 116.820 118.807 -1.987 18462 12325 1 17 . 1 1 512 512 HIS HA H 512 4.219 4.219 4.236 -0.017 18462 12326 1 17 . 1 1 512 512 HIS C C 512 178.069 178.069 177.304 0.765 18462 12327 1 17 . 1 1 512 512 HIS CA C 512 57.507 57.507 58.865 -1.358 18462 12328 1 17 . 1 1 512 512 HIS CB C 512 27.390 27.390 29.869 -2.479 18462 12329 1 17 . 1 1 512 512 HIS H H 512 7.809 7.809 7.891 -0.082 18462 12330 1 17 . 1 1 513 513 PHE N N 513 118.415 118.415 120.143 -1.728 18462 12331 1 17 . 1 1 513 513 PHE HA H 513 3.620 3.620 4.016 -0.396 18462 12332 1 17 . 1 1 513 513 PHE C C 513 176.026 176.026 176.469 -0.443 18462 12333 1 17 . 1 1 513 513 PHE CA C 513 61.102 61.102 61.337 -0.235 18462 12334 1 17 . 1 1 513 513 PHE CB C 513 38.996 38.996 38.978 0.018 18462 12335 1 17 . 1 1 513 513 PHE H H 513 8.898 8.898 8.941 -0.043 18462 12336 1 17 . 1 1 514 514 ASN N N 514 114.080 114.080 118.309 -4.229 18462 12337 1 17 . 1 1 514 514 ASN HA H 514 4.988 4.988 4.306 0.682 18462 12338 1 17 . 1 1 514 514 ASN C C 514 176.236 176.236 177.127 -0.891 18462 12339 1 17 . 1 1 514 514 ASN CA C 514 55.006 55.006 55.579 -0.573 18462 12340 1 17 . 1 1 514 514 ASN CB C 514 40.129 40.129 38.450 1.679 18462 12341 1 17 . 1 1 514 514 ASN H H 514 8.678 8.678 7.742 0.936 18462 12342 1 17 . 1 1 515 515 ILE N N 515 114.035 114.035 118.667 -4.632 18462 12343 1 17 . 1 1 515 515 ILE HA H 515 2.997 2.997 3.101 -0.104 18462 12344 1 17 . 1 1 515 515 ILE C C 515 176.292 176.292 176.587 -0.295 18462 12345 1 17 . 1 1 515 515 ILE CA C 515 63.447 63.447 63.532 -0.085 18462 12346 1 17 . 1 1 515 515 ILE CB C 515 37.198 37.198 37.413 -0.215 18462 12347 1 17 . 1 1 515 515 ILE H H 515 7.919 7.919 7.809 0.110 18462 12348 1 17 . 1 1 516 516 HIS N N 516 113.136 113.136 117.210 -4.074 18462 12349 1 17 . 1 1 516 516 HIS HA H 516 4.767 4.767 4.525 0.242 18462 12350 1 17 . 1 1 516 516 HIS C C 516 175.870 175.870 177.228 -1.358 18462 12351 1 17 . 1 1 516 516 HIS CA C 516 54.542 54.542 58.100 -3.558 18462 12352 1 17 . 1 1 516 516 HIS CB C 516 27.585 27.585 30.195 -2.610 18462 12353 1 17 . 1 1 516 516 HIS H H 516 7.170 7.170 7.404 -0.234 18462 12354 1 17 . 1 1 517 517 SER N N 517 112.852 112.852 114.414 -1.562 18462 12355 1 17 . 1 1 517 517 SER HA H 517 4.359 4.359 4.320 0.039 18462 12356 1 17 . 1 1 517 517 SER C C 517 177.067 177.067 175.728 1.339 18462 12357 1 17 . 1 1 517 517 SER CA C 517 58.758 58.758 60.754 -1.996 18462 12358 1 17 . 1 1 517 517 SER CB C 517 63.447 63.447 63.976 -0.529 18462 12359 1 17 . 1 1 517 517 SER H H 517 7.886 7.886 7.846 0.040 18462 12360 1 17 . 1 1 518 518 TRP N N 518 122.824 122.824 118.531 4.293 18462 12361 1 17 . 1 1 518 518 TRP HA H 518 4.005 4.005 4.388 -0.383 18462 12362 1 17 . 1 1 518 518 TRP C C 518 175.133 175.133 175.749 -0.616 18462 12363 1 17 . 1 1 518 518 TRP CA C 518 57.820 57.820 58.459 -0.639 18462 12364 1 17 . 1 1 518 518 TRP CB C 518 25.710 25.710 26.892 -1.182 18462 12365 1 17 . 1 1 518 518 TRP H H 518 9.274 9.274 7.690 1.584 18462 12366 1 17 . 1 1 519 519 GLU N N 519 119.673 119.673 117.495 2.178 18462 12367 1 17 . 1 1 519 519 GLU HA H 519 4.042 4.042 4.205 -0.163 18462 12368 1 17 . 1 1 519 519 GLU C C 519 175.353 175.353 176.694 -1.341 18462 12369 1 17 . 1 1 519 519 GLU CA C 519 58.758 58.758 58.168 0.590 18462 12370 1 17 . 1 1 519 519 GLU CB C 519 29.695 29.695 30.629 -0.934 18462 12371 1 17 . 1 1 519 519 GLU H H 519 7.828 7.828 7.779 0.049 18462 12372 1 17 . 1 1 520 520 LYS N N 520 118.358 118.358 119.434 -1.076 18462 12373 1 17 . 1 1 520 520 LYS HA H 520 4.544 4.544 4.402 0.142 18462 12374 1 17 . 1 1 520 520 LYS C C 520 178.036 178.036 174.834 3.202 18462 12375 1 17 . 1 1 520 520 LYS CA C 520 53.845 53.845 54.946 -1.101 18462 12376 1 17 . 1 1 520 520 LYS CB C 520 34.385 34.385 33.688 0.697 18462 12377 1 17 . 1 1 520 520 LYS H H 520 9.085 9.085 8.154 0.931 18462 12378 1 17 . 1 1 521 521 LYS N N 521 118.859 118.859 122.482 -3.623 18462 12379 1 17 . 1 1 521 521 LYS HA H 521 4.658 4.658 4.357 0.301 18462 12380 1 17 . 1 1 521 521 LYS C C 521 175.168 175.168 175.891 -0.723 18462 12381 1 17 . 1 1 521 521 LYS CA C 521 54.537 54.537 55.521 -0.984 18462 12382 1 17 . 1 1 521 521 LYS CB C 521 35.323 35.323 33.900 1.423 18462 12383 1 17 . 1 1 521 521 LYS H H 521 8.238 8.238 8.228 0.010 18462 12384 1 17 . 1 1 522 522 TYR N N 522 117.305 117.305 121.227 -3.922 18462 12385 1 17 . 1 1 522 522 TYR HA H 522 5.028 5.028 4.908 0.120 18462 12386 1 17 . 1 1 522 522 TYR C C 522 175.016 175.016 174.005 1.011 18462 12387 1 17 . 1 1 522 522 TYR CA C 522 54.537 54.537 54.895 -0.358 18462 12388 1 17 . 1 1 522 522 TYR CB C 522 37.198 37.198 38.162 -0.964 18462 12389 1 17 . 1 1 522 522 TYR H H 522 7.788 7.788 8.456 -0.668 18462 12390 1 17 . 1 1 523 523 PRO HA H 523 5.026 5.026 4.844 0.182 18462 12391 1 17 . 1 1 523 523 PRO CA C 523 61.806 61.806 62.468 -0.662 18462 12392 1 17 . 1 1 523 523 PRO CB C 523 31.839 31.839 32.050 -0.211 18462 12393 1 17 . 1 1 524 524 CYS N N 524 126.569 126.569 125.201 1.368 18462 12394 1 17 . 1 1 524 524 CYS HA H 524 4.739 4.739 4.615 0.124 18462 12395 1 17 . 1 1 524 524 CYS C C 524 176.841 176.841 176.654 0.187 18462 12396 1 17 . 1 1 524 524 CYS CA C 524 60.290 60.290 58.571 1.719 18462 12397 1 17 . 1 1 524 524 CYS CB C 524 29.344 29.344 29.227 0.117 18462 12398 1 17 . 1 1 524 524 CYS H H 524 9.210 9.210 8.767 0.443 18462 12399 1 17 . 1 1 525 525 ARG N N 525 130.294 130.294 125.964 4.330 18462 12400 1 17 . 1 1 525 525 ARG HA H 525 4.285 4.285 4.104 0.181 18462 12401 1 17 . 1 1 525 525 ARG C C 525 176.390 176.390 177.153 -0.763 18462 12402 1 17 . 1 1 525 525 ARG CA C 525 58.043 58.043 58.155 -0.112 18462 12403 1 17 . 1 1 525 525 ARG CB C 525 27.576 27.576 30.025 -2.449 18462 12404 1 17 . 1 1 525 525 ARG H H 525 9.724 9.724 9.222 0.502 18462 12405 1 17 . 1 1 526 526 TYR N N 526 122.622 122.622 118.309 4.313 18462 12406 1 17 . 1 1 526 526 TYR HA H 526 4.517 4.517 4.308 0.209 18462 12407 1 17 . 1 1 526 526 TYR C C 526 176.659 176.659 175.597 1.062 18462 12408 1 17 . 1 1 526 526 TYR CA C 526 58.054 58.054 58.393 -0.339 18462 12409 1 17 . 1 1 526 526 TYR CB C 526 37.628 37.628 38.042 -0.414 18462 12410 1 17 . 1 1 526 526 TYR H H 526 10.439 10.439 8.110 2.329 18462 12411 1 17 . 1 1 527 527 CYS N N 527 122.873 122.873 114.798 8.075 18462 12412 1 17 . 1 1 527 527 CYS HA H 527 5.153 5.153 4.918 0.235 18462 12413 1 17 . 1 1 527 527 CYS C C 527 175.243 175.243 174.799 0.444 18462 12414 1 17 . 1 1 527 527 CYS CA C 527 58.148 58.148 55.858 2.290 18462 12415 1 17 . 1 1 527 527 CYS CB C 527 30.164 30.164 31.396 -1.232 18462 12416 1 17 . 1 1 527 527 CYS H H 527 8.462 8.462 7.460 1.002 18462 12417 1 17 . 1 1 528 528 GLU N N 528 115.906 115.906 118.348 -2.442 18462 12418 1 17 . 1 1 528 528 GLU HA H 528 4.453 4.453 4.186 0.267 18462 12419 1 17 . 1 1 528 528 GLU C C 528 173.484 173.484 176.579 -3.095 18462 12420 1 17 . 1 1 528 528 GLU CA C 528 57.390 57.390 56.713 0.677 18462 12421 1 17 . 1 1 528 528 GLU CB C 528 29.608 29.608 29.256 0.352 18462 12422 1 17 . 1 1 528 528 GLU H H 528 8.704 8.704 8.590 0.114 18462 12423 1 17 . 1 1 529 529 LYS N N 529 125.068 125.068 122.079 2.989 18462 12424 1 17 . 1 1 529 529 LYS HA H 529 4.041 4.041 4.213 -0.172 18462 12425 1 17 . 1 1 529 529 LYS C C 529 176.881 176.881 174.916 1.965 18462 12426 1 17 . 1 1 529 529 LYS CA C 529 57.585 57.585 56.899 0.686 18462 12427 1 17 . 1 1 529 529 LYS CB C 529 33.212 33.212 33.239 -0.027 18462 12428 1 17 . 1 1 529 529 LYS H H 529 8.696 8.696 7.609 1.087 18462 12429 1 17 . 1 1 530 530 VAL N N 530 119.525 119.525 124.307 -4.782 18462 12430 1 17 . 1 1 530 530 VAL HA H 530 4.541 4.541 4.424 0.117 18462 12431 1 17 . 1 1 530 530 VAL C C 530 175.118 175.118 175.630 -0.512 18462 12432 1 17 . 1 1 530 530 VAL CA C 530 60.633 60.633 61.062 -0.429 18462 12433 1 17 . 1 1 530 530 VAL CB C 530 34.150 34.150 33.677 0.473 18462 12434 1 17 . 1 1 530 530 VAL H H 530 8.054 8.054 8.236 -0.182 18462 12435 1 17 . 1 1 531 531 PHE N N 531 122.568 122.568 126.689 -4.121 18462 12436 1 17 . 1 1 531 531 PHE C C 531 174.185 174.185 174.670 -0.485 18462 12437 1 17 . 1 1 531 531 PHE CA C 531 55.586 55.586 55.415 0.171 18462 12438 1 17 . 1 1 531 531 PHE CB C 531 41.184 41.184 40.338 0.846 18462 12439 1 17 . 1 1 531 531 PHE H H 531 8.167 8.167 8.782 -0.615 18462 12440 1 17 . 1 1 532 532 PRO HA H 532 4.359 4.359 4.093 0.266 18462 12441 1 17 . 1 1 532 532 PRO CA C 532 62.216 62.216 63.017 -0.802 18462 12442 1 17 . 1 1 532 532 PRO CB C 532 29.930 29.930 31.959 -2.029 18462 12443 1 17 . 1 1 533 533 LEU N N 533 122.335 122.335 117.256 5.079 18462 12444 1 17 . 1 1 533 533 LEU HA H 533 4.086 4.086 4.287 -0.201 18462 12445 1 17 . 1 1 533 533 LEU C C 533 175.091 175.091 177.026 -1.935 18462 12446 1 17 . 1 1 533 533 LEU CA C 533 55.006 55.006 52.993 2.013 18462 12447 1 17 . 1 1 533 533 LEU CB C 533 43.529 43.529 44.521 -0.992 18462 12448 1 17 . 1 1 533 533 LEU H H 533 6.587 6.587 7.578 -0.991 18462 12449 1 17 . 1 1 534 534 ALA N N 534 126.722 126.722 126.047 0.675 18462 12450 1 17 . 1 1 534 534 ALA HA H 534 2.993 2.993 3.541 -0.548 18462 12451 1 17 . 1 1 534 534 ALA C C 534 175.439 175.439 178.733 -3.294 18462 12452 1 17 . 1 1 534 534 ALA CA C 534 54.537 54.537 55.017 -0.480 18462 12453 1 17 . 1 1 534 534 ALA CB C 534 18.452 18.452 17.524 0.928 18462 12454 1 17 . 1 1 534 534 ALA H H 534 7.698 7.698 8.002 -0.304 18462 12455 1 17 . 1 1 535 535 GLU N N 535 119.354 119.354 118.176 1.178 18462 12456 1 17 . 1 1 535 535 GLU HA H 535 4.675 4.675 4.011 0.664 18462 12457 1 17 . 1 1 535 535 GLU C C 535 180.126 180.126 178.401 1.725 18462 12458 1 17 . 1 1 535 535 GLU CA C 535 58.526 58.526 59.135 -0.609 18462 12459 1 17 . 1 1 535 535 GLU H H 535 9.535 9.535 8.732 0.803 18462 12460 1 17 . 1 1 536 536 TYR N N 536 114.592 114.592 118.973 -4.381 18462 12461 1 17 . 1 1 536 536 TYR HA H 536 4.368 4.368 4.168 0.200 18462 12462 1 17 . 1 1 536 536 TYR C C 536 178.004 178.004 178.011 -0.007 18462 12463 1 17 . 1 1 536 536 TYR CA C 536 56.179 56.179 58.614 -2.435 18462 12464 1 17 . 1 1 536 536 TYR CB C 536 35.556 35.556 37.236 -1.680 18462 12465 1 17 . 1 1 536 536 TYR H H 536 6.552 6.552 8.184 -1.632 18462 12466 1 17 . 1 1 537 537 ARG N N 537 119.820 119.820 119.154 0.666 18462 12467 1 17 . 1 1 537 537 ARG HA H 537 3.209 3.209 3.300 -0.091 18462 12468 1 17 . 1 1 537 537 ARG C C 537 179.469 179.469 178.359 1.110 18462 12469 1 17 . 1 1 537 537 ARG CA C 537 59.131 59.131 59.706 -0.575 18462 12470 1 17 . 1 1 537 537 ARG CB C 537 27.179 27.179 29.923 -2.744 18462 12471 1 17 . 1 1 537 537 ARG H H 537 7.016 7.016 7.345 -0.329 18462 12472 1 17 . 1 1 538 538 THR N N 538 120.080 120.080 117.056 3.024 18462 12473 1 17 . 1 1 538 538 THR HA H 538 3.939 3.939 4.001 -0.062 18462 12474 1 17 . 1 1 538 538 THR C C 538 177.538 177.538 176.786 0.752 18462 12475 1 17 . 1 1 538 538 THR CA C 538 66.026 66.026 66.792 -0.766 18462 12476 1 17 . 1 1 538 538 THR CB C 538 66.964 66.964 68.396 -1.432 18462 12477 1 17 . 1 1 538 538 THR H H 538 8.410 8.410 8.388 0.022 18462 12478 1 17 . 1 1 539 539 LYS N N 539 117.252 117.252 119.297 -2.045 18462 12479 1 17 . 1 1 539 539 LYS HA H 539 4.054 4.054 4.086 -0.032 18462 12480 1 17 . 1 1 539 539 LYS C C 539 176.139 176.139 179.159 -3.020 18462 12481 1 17 . 1 1 539 539 LYS CA C 539 57.116 57.116 58.429 -1.313 18462 12482 1 17 . 1 1 539 539 LYS CB C 539 31.859 31.859 31.819 0.040 18462 12483 1 17 . 1 1 539 539 LYS H H 539 8.012 8.012 8.305 -0.293 18462 12484 1 17 . 1 1 540 540 HIS N N 540 118.983 118.983 119.517 -0.534 18462 12485 1 17 . 1 1 540 540 HIS HA H 540 4.548 4.548 4.351 0.197 18462 12486 1 17 . 1 1 540 540 HIS C C 540 179.568 179.568 177.463 2.105 18462 12487 1 17 . 1 1 540 540 HIS CA C 540 58.758 58.758 59.483 -0.725 18462 12488 1 17 . 1 1 540 540 HIS CB C 540 28.260 28.260 29.822 -1.562 18462 12489 1 17 . 1 1 540 540 HIS H H 540 7.536 7.536 7.804 -0.268 18462 12490 1 17 . 1 1 541 541 GLU N N 541 122.073 122.073 120.016 2.057 18462 12491 1 17 . 1 1 541 541 GLU HA H 541 4.215 4.215 4.404 -0.190 18462 12492 1 17 . 1 1 541 541 GLU C C 541 177.829 177.829 178.917 -1.088 18462 12493 1 17 . 1 1 541 541 GLU CA C 541 61.181 61.181 59.372 1.809 18462 12494 1 17 . 1 1 541 541 GLU CB C 541 29.712 29.712 29.817 -0.105 18462 12495 1 17 . 1 1 541 541 GLU H H 541 9.540 9.540 8.568 0.972 18462 12496 1 17 . 1 1 542 542 ILE N N 542 121.307 121.307 119.573 1.734 18462 12497 1 17 . 1 1 542 542 ILE HA H 542 4.335 4.335 3.867 0.468 18462 12498 1 17 . 1 1 542 542 ILE C C 542 179.666 179.666 177.690 1.976 18462 12499 1 17 . 1 1 542 542 ILE CA C 542 61.806 61.806 64.931 -3.125 18462 12500 1 17 . 1 1 542 542 ILE CB C 542 36.729 36.729 37.992 -1.263 18462 12501 1 17 . 1 1 542 542 ILE H H 542 8.275 8.275 8.432 -0.157 18462 12502 1 17 . 1 1 543 543 HIS N N 543 118.514 118.514 118.570 -0.056 18462 12503 1 17 . 1 1 543 543 HIS HA H 543 4.257 4.257 4.320 -0.063 18462 12504 1 17 . 1 1 543 543 HIS C C 543 178.283 178.283 176.513 1.770 18462 12505 1 17 . 1 1 543 543 HIS CA C 543 58.758 58.758 58.714 0.044 18462 12506 1 17 . 1 1 543 543 HIS CB C 543 26.882 26.882 29.834 -2.952 18462 12507 1 17 . 1 1 543 543 HIS H H 543 7.744 7.744 7.557 0.187 18462 12508 1 17 . 1 1 544 544 HIS N N 544 115.805 115.805 116.266 -0.461 18462 12509 1 17 . 1 1 544 544 HIS HA H 544 4.317 4.317 4.357 -0.040 18462 12510 1 17 . 1 1 544 544 HIS C C 544 178.058 178.058 176.687 1.371 18462 12511 1 17 . 1 1 544 544 HIS CA C 544 58.054 58.054 58.689 -0.635 18462 12512 1 17 . 1 1 544 544 HIS CB C 544 36.882 36.882 30.383 6.499 18462 12513 1 17 . 1 1 544 544 HIS H H 544 7.537 7.537 7.470 0.067 18462 12514 1 17 . 1 1 545 545 THR N N 545 109.469 109.469 111.171 -1.702 18462 12515 1 17 . 1 1 545 545 THR HA H 545 4.184 4.184 4.102 0.082 18462 12516 1 17 . 1 1 545 545 THR C C 545 177.277 177.277 176.082 1.195 18462 12517 1 17 . 1 1 545 545 THR CA C 545 62.509 62.509 63.700 -1.191 18462 12518 1 17 . 1 1 545 545 THR CB C 545 68.839 68.839 69.624 -0.785 18462 12519 1 17 . 1 1 545 545 THR H H 545 7.991 7.991 8.095 -0.104 18462 12520 1 17 . 1 1 546 546 GLY N N 546 113.407 113.407 110.600 2.807 18462 12521 1 17 . 1 1 546 546 GLY C C 546 177.501 177.501 173.287 4.214 18462 12522 1 17 . 1 1 546 546 GLY CA C 546 44.935 44.935 44.710 0.225 18462 12523 1 17 . 1 1 546 546 GLY H H 546 8.530 8.530 8.069 0.461 18462 12524 1 17 . 1 1 547 547 GLU N N 547 123.901 123.901 120.619 3.282 18462 12525 1 17 . 1 1 547 547 GLU HA H 547 3.913 3.913 4.162 -0.249 18462 12526 1 17 . 1 1 547 547 GLU C C 547 173.687 173.687 175.836 -2.149 18462 12527 1 17 . 1 1 547 547 GLU CA C 547 56.413 56.413 56.398 0.015 18462 12528 1 17 . 1 1 547 547 GLU CB C 547 29.123 29.123 30.552 -1.429 18462 12529 1 17 . 1 1 547 547 GLU H H 547 7.301 7.301 7.548 -0.247 18462 12530 1 17 . 1 1 548 548 ARG N N 548 128.505 128.505 124.608 3.897 18462 12531 1 17 . 1 1 548 548 ARG HA H 548 4.444 4.444 4.464 -0.020 18462 12532 1 17 . 1 1 548 548 ARG C C 548 175.180 175.180 176.120 -0.940 18462 12533 1 17 . 1 1 548 548 ARG CA C 548 55.059 55.059 55.614 -0.555 18462 12534 1 17 . 1 1 548 548 ARG CB C 548 29.227 29.227 30.329 -1.102 18462 12535 1 17 . 1 1 548 548 ARG H H 548 8.752 8.752 8.440 0.312 18462 12536 1 17 . 1 1 549 549 ARG N N 549 121.815 121.815 120.963 0.852 18462 12537 1 17 . 1 1 549 549 ARG HA H 549 4.205 4.205 4.406 -0.201 18462 12538 1 17 . 1 1 549 549 ARG C C 549 175.850 175.850 175.500 0.350 18462 12539 1 17 . 1 1 549 549 ARG CA C 549 57.350 57.350 56.355 0.995 18462 12540 1 17 . 1 1 549 549 ARG CB C 549 32.980 32.980 33.051 -0.071 18462 12541 1 17 . 1 1 549 549 ARG H H 549 9.440 9.440 8.815 0.625 18462 12542 1 17 . 1 1 550 550 TYR N N 550 116.087 116.087 117.987 -1.900 18462 12543 1 17 . 1 1 550 550 TYR C C 550 176.129 176.129 174.901 1.228 18462 12544 1 17 . 1 1 550 550 TYR CA C 550 58.169 58.169 56.736 1.433 18462 12545 1 17 . 1 1 550 550 TYR CB C 550 38.994 38.994 39.146 -0.152 18462 12546 1 17 . 1 1 550 550 TYR H H 550 8.287 8.287 7.707 0.580 18462 12547 1 17 . 1 1 551 551 GLN N N 551 125.096 125.096 124.191 0.905 18462 12548 1 17 . 1 1 551 551 GLN HA H 551 5.275 5.275 5.017 0.258 18462 12549 1 17 . 1 1 551 551 GLN C C 551 175.080 175.080 174.830 0.250 18462 12550 1 17 . 1 1 551 551 GLN CA C 551 53.610 53.610 54.404 -0.794 18462 12551 1 17 . 1 1 551 551 GLN CB C 551 31.152 31.152 31.966 -0.814 18462 12552 1 17 . 1 1 551 551 GLN H H 551 9.656 9.656 9.382 0.274 18462 12553 1 17 . 1 1 552 552 CYS N N 552 128.697 128.697 126.175 2.522 18462 12554 1 17 . 1 1 552 552 CYS HA H 552 4.584 4.584 4.804 -0.220 18462 12555 1 17 . 1 1 552 552 CYS C C 552 175.231 175.231 175.282 -0.051 18462 12556 1 17 . 1 1 552 552 CYS CA C 552 59.461 59.461 59.939 -0.478 18462 12557 1 17 . 1 1 552 552 CYS CB C 552 29.695 29.695 28.269 1.426 18462 12558 1 17 . 1 1 552 552 CYS H H 552 9.427 9.427 9.240 0.187 18462 12559 1 17 . 1 1 553 553 LEU N N 553 130.168 130.168 126.221 3.947 18462 12560 1 17 . 1 1 553 553 LEU HA H 553 4.396 4.396 4.471 -0.075 18462 12561 1 17 . 1 1 553 553 LEU C C 553 177.402 177.402 177.995 -0.593 18462 12562 1 17 . 1 1 553 553 LEU CA C 553 55.710 55.710 56.119 -0.409 18462 12563 1 17 . 1 1 553 553 LEU CB C 553 40.246 40.246 42.122 -1.876 18462 12564 1 17 . 1 1 553 553 LEU H H 553 8.632 8.632 9.113 -0.481 18462 12565 1 17 . 1 1 554 554 ALA N N 554 125.048 125.048 123.215 1.833 18462 12566 1 17 . 1 1 554 554 ALA HA H 554 4.295 4.295 4.104 0.191 18462 12567 1 17 . 1 1 554 554 ALA C C 554 177.657 177.657 178.127 -0.470 18462 12568 1 17 . 1 1 554 554 ALA CA C 554 53.610 53.610 54.288 -0.678 18462 12569 1 17 . 1 1 554 554 ALA CB C 554 16.577 16.577 18.759 -2.182 18462 12570 1 17 . 1 1 554 554 ALA H H 554 8.847 8.847 8.193 0.654 18462 12571 1 17 . 1 1 555 555 CYS N N 555 113.388 113.388 111.913 1.475 18462 12572 1 17 . 1 1 555 555 CYS HA H 555 5.299 5.299 4.994 0.305 18462 12573 1 17 . 1 1 555 555 CYS C C 555 178.854 178.854 175.831 3.023 18462 12574 1 17 . 1 1 555 555 CYS CA C 555 57.820 57.820 58.190 -0.370 18462 12575 1 17 . 1 1 555 555 CYS CB C 555 31.665 31.665 28.356 3.309 18462 12576 1 17 . 1 1 555 555 CYS H H 555 8.146 8.146 8.172 -0.026 18462 12577 1 17 . 1 1 556 556 GLY N N 556 114.264 114.264 109.487 4.777 18462 12578 1 17 . 1 1 556 556 GLY C C 556 176.084 176.084 174.355 1.729 18462 12579 1 17 . 1 1 556 556 GLY CA C 556 45.639 45.639 45.281 0.358 18462 12580 1 17 . 1 1 556 556 GLY H H 556 8.104 8.104 8.521 -0.417 18462 12581 1 17 . 1 1 557 557 LYS N N 557 123.318 123.318 121.548 1.770 18462 12582 1 17 . 1 1 557 557 LYS HA H 557 4.110 4.110 4.122 -0.012 18462 12583 1 17 . 1 1 557 557 LYS C C 557 174.300 174.300 175.586 -1.286 18462 12584 1 17 . 1 1 557 557 LYS CA C 557 57.585 57.585 56.651 0.934 18462 12585 1 17 . 1 1 557 557 LYS CB C 557 33.447 33.447 33.030 0.417 18462 12586 1 17 . 1 1 557 557 LYS H H 557 8.043 8.043 7.584 0.459 18462 12587 1 17 . 1 1 558 558 SER N N 558 115.947 115.947 117.057 -1.110 18462 12588 1 17 . 1 1 558 558 SER HA H 558 5.661 5.661 5.273 0.388 18462 12589 1 17 . 1 1 558 558 SER C C 558 174.321 174.321 173.351 0.970 18462 12590 1 17 . 1 1 558 558 SER CA C 558 56.179 56.179 57.013 -0.834 18462 12591 1 17 . 1 1 558 558 SER CB C 558 65.088 65.088 65.487 -0.399 18462 12592 1 17 . 1 1 558 558 SER H H 558 7.864 7.864 8.189 -0.325 18462 12593 1 17 . 1 1 559 559 PHE N N 559 117.815 117.815 121.027 -3.212 18462 12594 1 17 . 1 1 559 559 PHE HA H 559 4.781 4.781 4.824 -0.043 18462 12595 1 17 . 1 1 559 559 PHE C C 559 173.632 173.632 175.735 -2.103 18462 12596 1 17 . 1 1 559 559 PHE CA C 559 56.687 56.687 57.021 -0.334 18462 12597 1 17 . 1 1 559 559 PHE CB C 559 44.232 44.232 42.047 2.185 18462 12598 1 17 . 1 1 559 559 PHE H H 559 9.488 9.488 9.146 0.342 18462 12599 1 17 . 1 1 560 560 ILE N N 560 118.092 118.092 119.299 -1.207 18462 12600 1 17 . 1 1 560 560 ILE HA H 560 4.470 4.470 4.007 0.463 18462 12601 1 17 . 1 1 560 560 ILE C C 560 175.986 175.986 174.721 1.265 18462 12602 1 17 . 1 1 560 560 ILE CA C 560 62.040 62.040 62.817 -0.777 18462 12603 1 17 . 1 1 560 560 ILE CB C 560 39.308 39.308 38.379 0.929 18462 12604 1 17 . 1 1 560 560 ILE H H 560 9.306 9.306 8.528 0.778 18462 12605 1 17 . 1 1 561 561 ASN N N 561 114.751 114.751 112.734 2.017 18462 12606 1 17 . 1 1 561 561 ASN HA H 561 4.683 4.683 5.006 -0.323 18462 12607 1 17 . 1 1 561 561 ASN C C 561 175.350 175.350 174.795 0.555 18462 12608 1 17 . 1 1 561 561 ASN CA C 561 50.797 50.797 52.050 -1.252 18462 12609 1 17 . 1 1 561 561 ASN CB C 561 39.777 39.777 40.063 -0.286 18462 12610 1 17 . 1 1 561 561 ASN H H 561 7.387 7.387 7.714 -0.327 18462 12611 1 17 . 1 1 562 562 TYR N N 562 118.833 118.833 120.820 -1.987 18462 12612 1 17 . 1 1 562 562 TYR C C 562 172.730 172.730 177.140 -4.410 18462 12613 1 17 . 1 1 562 562 TYR CA C 562 59.907 59.907 62.294 -2.387 18462 12614 1 17 . 1 1 562 562 TYR CB C 562 38.480 38.480 38.382 0.098 18462 12615 1 17 . 1 1 562 562 TYR H H 562 8.243 8.243 8.893 -0.650 18462 12616 1 17 . 1 1 563 563 GLN N N 563 119.525 119.525 118.416 1.109 18462 12617 1 17 . 1 1 563 563 GLN HA H 563 3.720 3.720 3.993 -0.273 18462 12618 1 17 . 1 1 563 563 GLN C C 563 176.326 176.326 178.326 -2.000 18462 12619 1 17 . 1 1 563 563 GLN CA C 563 61.102 61.102 59.619 1.483 18462 12620 1 17 . 1 1 563 563 GLN CB C 563 25.450 25.450 27.734 -2.284 18462 12621 1 17 . 1 1 563 563 GLN H H 563 8.524 8.524 8.514 0.010 18462 12622 1 17 . 1 1 564 564 PHE N N 564 118.625 118.625 119.793 -1.168 18462 12623 1 17 . 1 1 564 564 PHE HA H 564 4.427 4.427 4.132 0.295 18462 12624 1 17 . 1 1 564 564 PHE C C 564 179.429 179.429 177.490 1.939 18462 12625 1 17 . 1 1 564 564 PHE CA C 564 59.461 59.461 60.812 -1.351 18462 12626 1 17 . 1 1 564 564 PHE CB C 564 38.488 38.488 38.660 -0.172 18462 12627 1 17 . 1 1 564 564 PHE H H 564 8.904 8.904 9.030 -0.126 18462 12628 1 17 . 1 1 565 565 MET N N 565 120.996 120.996 118.817 2.179 18462 12629 1 17 . 1 1 565 565 MET HA H 565 3.720 3.720 3.317 0.403 18462 12630 1 17 . 1 1 565 565 MET C C 565 178.642 178.642 177.630 1.012 18462 12631 1 17 . 1 1 565 565 MET CA C 565 58.037 58.037 58.121 -0.084 18462 12632 1 17 . 1 1 565 565 MET H H 565 7.153 7.153 8.046 -0.893 18462 12633 1 17 . 1 1 566 566 SER N N 566 115.706 115.706 115.575 0.131 18462 12634 1 17 . 1 1 566 566 SER HA H 566 3.720 3.720 3.744 -0.024 18462 12635 1 17 . 1 1 566 566 SER C C 566 176.710 176.710 176.400 0.310 18462 12636 1 17 . 1 1 566 566 SER CA C 566 60.633 60.633 61.410 -0.777 18462 12637 1 17 . 1 1 566 566 SER CB C 566 62.040 62.040 62.642 -0.602 18462 12638 1 17 . 1 1 566 566 SER H H 566 8.918 8.918 8.127 0.791 18462 12639 1 17 . 1 1 567 567 SER N N 567 114.335 114.335 117.191 -2.856 18462 12640 1 17 . 1 1 567 567 SER HA H 567 4.212 4.212 4.019 0.193 18462 12641 1 17 . 1 1 567 567 SER C C 567 176.849 176.849 176.300 0.549 18462 12642 1 17 . 1 1 567 567 SER CA C 567 60.868 60.868 61.322 -0.454 18462 12643 1 17 . 1 1 567 567 SER CB C 567 61.806 61.806 63.139 -1.333 18462 12644 1 17 . 1 1 567 567 SER H H 567 7.933 7.933 7.839 0.094 18462 12645 1 17 . 1 1 568 568 HIS N N 568 120.659 120.659 121.796 -1.137 18462 12646 1 17 . 1 1 568 568 HIS HA H 568 4.327 4.327 4.220 0.107 18462 12647 1 17 . 1 1 568 568 HIS C C 568 177.652 177.652 177.237 0.415 18462 12648 1 17 . 1 1 568 568 HIS CA C 568 58.992 58.992 59.491 -0.499 18462 12649 1 17 . 1 1 568 568 HIS CB C 568 27.234 27.234 29.296 -2.062 18462 12650 1 17 . 1 1 568 568 HIS H H 568 7.594 7.594 8.260 -0.666 18462 12651 1 17 . 1 1 569 569 ILE N N 569 120.858 120.858 119.657 1.201 18462 12652 1 17 . 1 1 569 569 ILE HA H 569 3.562 3.562 3.583 -0.021 18462 12653 1 17 . 1 1 569 569 ILE C C 569 175.925 175.925 178.243 -2.318 18462 12654 1 17 . 1 1 569 569 ILE CA C 569 66.729 66.729 65.162 1.567 18462 12655 1 17 . 1 1 569 569 ILE CB C 569 37.198 37.198 37.739 -0.541 18462 12656 1 17 . 1 1 569 569 ILE H H 569 8.640 8.640 7.993 0.647 18462 12657 1 17 . 1 1 570 570 LYS N N 570 118.876 118.876 120.639 -1.763 18462 12658 1 17 . 1 1 570 570 LYS HA H 570 4.329 4.329 4.189 0.140 18462 12659 1 17 . 1 1 570 570 LYS C C 570 178.927 178.927 179.215 -0.288 18462 12660 1 17 . 1 1 570 570 LYS CA C 570 59.461 59.461 59.569 -0.108 18462 12661 1 17 . 1 1 570 570 LYS CB C 570 32.743 32.743 32.476 0.267 18462 12662 1 17 . 1 1 570 570 LYS H H 570 8.463 8.463 7.961 0.502 18462 12663 1 17 . 1 1 571 571 SER N N 571 112.612 112.612 114.389 -1.777 18462 12664 1 17 . 1 1 571 571 SER HA H 571 4.323 4.323 4.167 0.156 18462 12665 1 17 . 1 1 571 571 SER C C 571 179.258 179.258 176.087 3.171 18462 12666 1 17 . 1 1 571 571 SER CA C 571 59.930 59.930 61.582 -1.652 18462 12667 1 17 . 1 1 571 571 SER CB C 571 62.978 62.978 63.217 -0.239 18462 12668 1 17 . 1 1 571 571 SER H H 571 7.997 7.997 8.109 -0.112 18462 12669 1 17 . 1 1 572 572 VAL N N 572 120.208 120.208 119.441 0.767 18462 12670 1 17 . 1 1 572 572 VAL HA H 572 3.789 3.789 3.802 -0.013 18462 12671 1 17 . 1 1 572 572 VAL C C 572 176.245 176.245 176.856 -0.611 18462 12672 1 17 . 1 1 572 572 VAL CA C 572 63.916 63.916 64.639 -0.723 18462 12673 1 17 . 1 1 572 572 VAL CB C 572 31.337 31.337 32.021 -0.684 18462 12674 1 17 . 1 1 572 572 VAL H H 572 8.615 8.615 8.163 0.452 18462 12675 1 17 . 1 1 573 573 HIS N N 573 113.735 113.735 116.586 -2.851 18462 12676 1 17 . 1 1 573 573 HIS HA H 573 5.102 5.102 4.711 0.391 18462 12677 1 17 . 1 1 573 573 HIS C C 573 177.042 177.042 174.839 2.203 18462 12678 1 17 . 1 1 573 573 HIS CA C 573 53.376 53.376 55.265 -1.889 18462 12679 1 17 . 1 1 573 573 HIS CB C 573 28.210 28.210 30.408 -2.198 18462 12680 1 17 . 1 1 573 573 HIS H H 573 7.067 7.067 7.450 -0.383 18462 12681 1 17 . 1 1 574 574 SER N N 574 112.537 112.537 111.773 0.764 18462 12682 1 17 . 1 1 574 574 SER HA H 574 4.421 4.421 4.225 0.196 18462 12683 1 17 . 1 1 574 574 SER C C 574 174.525 174.525 174.089 0.436 18462 12684 1 17 . 1 1 574 574 SER CA C 574 58.054 58.054 59.592 -1.538 18462 12685 1 17 . 1 1 574 574 SER CB C 574 61.102 61.102 61.390 -0.288 18462 12686 1 17 . 1 1 574 574 SER H H 574 7.325 7.325 7.911 -0.586 18462 12687 1 17 . 1 1 575 575 GLN N N 575 117.032 117.032 118.898 -1.866 18462 12688 1 17 . 1 1 575 575 GLN HA H 575 4.659 4.659 4.503 0.156 18462 12689 1 17 . 1 1 575 575 GLN C C 575 173.993 173.993 173.499 0.494 18462 12690 1 17 . 1 1 575 575 GLN CA C 575 53.376 53.376 54.432 -1.056 18462 12691 1 17 . 1 1 575 575 GLN CB C 575 32.743 32.743 32.860 -0.117 18462 12692 1 17 . 1 1 575 575 GLN H H 575 7.480 7.480 7.200 0.280 18462 12693 1 17 . 1 1 576 576 ASP N N 576 118.953 118.953 121.502 -2.549 18462 12694 1 17 . 1 1 576 576 ASP HA H 576 4.992 4.992 4.948 0.044 18462 12695 1 17 . 1 1 576 576 ASP C C 576 173.387 173.387 176.174 -2.787 18462 12696 1 17 . 1 1 576 576 ASP CA C 576 50.094 50.094 49.889 0.205 18462 12697 1 17 . 1 1 576 576 ASP CB C 576 41.301 41.301 42.114 -0.813 18462 12698 1 17 . 1 1 576 576 ASP H H 576 8.173 8.173 8.507 -0.334 18462 12699 1 17 . 1 1 577 577 PRO HA H 577 4.629 4.629 4.553 0.076 18462 12700 1 17 . 1 1 577 577 PRO CA C 577 63.212 63.212 64.027 -0.815 18462 12701 1 17 . 1 1 577 577 PRO CB C 577 31.806 31.806 32.395 -0.590 18462 12702 1 17 . 1 1 578 578 SER N N 578 114.986 114.986 114.210 0.776 18462 12703 1 17 . 1 1 578 578 SER HA H 578 4.820 4.820 4.465 0.355 18462 12704 1 17 . 1 1 578 578 SER C C 578 176.301 176.301 175.789 0.512 18462 12705 1 17 . 1 1 578 578 SER CA C 578 58.054 58.054 59.271 -1.217 18462 12706 1 17 . 1 1 578 578 SER CB C 578 63.447 63.447 63.221 0.225 18462 12707 1 17 . 1 1 578 578 SER H H 578 8.387 8.387 8.483 -0.096 18462 12708 1 17 . 1 1 579 579 GLY N N 579 111.279 111.279 110.517 0.762 18462 12709 1 17 . 1 1 579 579 GLY C C 579 175.262 175.262 173.846 1.416 18462 12710 1 17 . 1 1 579 579 GLY CA C 579 44.935 44.935 44.680 0.255 18462 12711 1 17 . 1 1 579 579 GLY H H 579 8.554 8.554 7.597 0.957 18462 12712 1 17 . 1 1 580 580 ASP N N 580 121.402 121.402 120.354 1.048 18462 12713 1 17 . 1 1 580 580 ASP HA H 580 4.700 4.700 4.775 -0.075 18462 12714 1 17 . 1 1 580 580 ASP C C 580 174.329 174.329 176.142 -1.813 18462 12715 1 17 . 1 1 580 580 ASP CA C 580 53.845 53.845 54.322 -0.477 18462 12716 1 17 . 1 1 580 580 ASP CB C 580 40.012 40.012 40.544 -0.532 18462 12717 1 17 . 1 1 580 580 ASP H H 580 8.386 8.386 8.391 -0.005 18462 12718 1 17 . 1 1 581 581 SER N N 581 115.668 115.668 115.901 -0.233 18462 12719 1 17 . 1 1 581 581 SER HA H 581 4.421 4.421 4.367 0.054 18462 12720 1 17 . 1 1 581 581 SER C C 581 176.108 176.108 174.614 1.494 18462 12721 1 17 . 1 1 581 581 SER CA C 581 58.054 58.054 58.182 -0.128 18462 12722 1 17 . 1 1 581 581 SER CB C 581 63.212 63.212 64.411 -1.199 18462 12723 1 17 . 1 1 581 581 SER H H 581 8.015 8.015 8.153 -0.138 18462 12724 1 17 . 1 1 582 582 LYS N N 582 120.544 120.544 120.452 0.092 18462 12725 1 17 . 1 1 582 582 LYS HA H 582 4.329 4.329 4.083 0.246 18462 12726 1 17 . 1 1 582 582 LYS C C 582 174.302 174.302 175.139 -0.837 18462 12727 1 17 . 1 1 582 582 LYS CA C 582 55.944 55.944 57.132 -1.188 18462 12728 1 17 . 1 1 582 582 LYS CB C 582 30.868 30.868 30.490 0.378 18462 12729 1 17 . 1 1 582 582 LYS H H 582 8.453 8.453 8.539 -0.086 18462 12730 1 17 . 1 1 583 583 LEU N N 583 119.514 119.514 120.312 -0.798 18462 12731 1 17 . 1 1 583 583 LEU HA H 583 4.458 4.458 4.489 -0.031 18462 12732 1 17 . 1 1 583 583 LEU C C 583 176.924 176.924 174.839 2.085 18462 12733 1 17 . 1 1 583 583 LEU CA C 583 54.303 54.303 53.990 0.313 18462 12734 1 17 . 1 1 583 583 LEU CB C 583 43.060 43.060 42.098 0.962 18462 12735 1 17 . 1 1 583 583 LEU H H 583 8.391 8.391 8.436 -0.045 18462 12736 1 17 . 1 1 584 584 TYR N N 584 115.291 115.291 114.817 0.474 18462 12737 1 17 . 1 1 584 584 TYR HA H 584 5.714 5.714 5.628 0.086 18462 12738 1 17 . 1 1 584 584 TYR C C 584 175.675 175.675 173.744 1.931 18462 12739 1 17 . 1 1 584 584 TYR CA C 584 54.303 54.303 54.891 -0.587 18462 12740 1 17 . 1 1 584 584 TYR CB C 584 42.420 42.420 42.051 0.369 18462 12741 1 17 . 1 1 584 584 TYR H H 584 7.625 7.625 7.055 0.570 18462 12742 1 17 . 1 1 585 585 ARG N N 585 120.321 120.321 120.958 -0.637 18462 12743 1 17 . 1 1 585 585 ARG HA H 585 4.407 4.407 4.700 -0.293 18462 12744 1 17 . 1 1 585 585 ARG C C 585 172.342 172.342 174.102 -1.760 18462 12745 1 17 . 1 1 585 585 ARG CA C 585 53.376 53.376 54.476 -1.100 18462 12746 1 17 . 1 1 585 585 ARG CB C 585 33.916 33.916 34.688 -0.772 18462 12747 1 17 . 1 1 585 585 ARG H H 585 9.141 9.141 8.991 0.150 18462 12748 1 17 . 1 1 586 586 LEU N N 586 129.013 129.013 127.361 1.652 18462 12749 1 17 . 1 1 586 586 LEU HA H 586 4.768 4.768 4.971 -0.203 18462 12750 1 17 . 1 1 586 586 LEU C C 586 173.449 173.449 175.755 -2.306 18462 12751 1 17 . 1 1 586 586 LEU CA C 586 52.438 52.438 54.049 -1.611 18462 12752 1 17 . 1 1 586 586 LEU CB C 586 41.653 41.653 43.602 -1.949 18462 12753 1 17 . 1 1 586 586 LEU H H 586 8.581 8.581 8.742 -0.161 18462 12754 1 17 . 1 1 587 587 HIS N N 587 127.447 127.447 125.545 1.902 18462 12755 1 17 . 1 1 587 587 HIS HA H 587 4.650 4.650 5.202 -0.552 18462 12756 1 17 . 1 1 587 587 HIS C C 587 175.512 175.512 173.704 1.808 18462 12757 1 17 . 1 1 587 587 HIS CA C 587 55.544 55.544 53.531 2.013 18462 12758 1 17 . 1 1 587 587 HIS CB C 587 29.930 29.930 31.096 -1.167 18462 12759 1 17 . 1 1 587 587 HIS H H 587 9.132 9.132 8.790 0.342 18462 12760 1 17 . 1 1 588 588 PRO HA H 588 4.441 4.441 4.568 -0.127 18462 12761 1 17 . 1 1 588 588 PRO CA C 588 62.509 62.509 63.145 -0.636 18462 12762 1 17 . 1 1 588 588 PRO CB C 588 31.688 31.688 32.337 -0.649 18462 12763 1 17 . 1 1 589 589 CYS N N 589 124.057 124.057 121.856 2.201 18462 12764 1 17 . 1 1 589 589 CYS HA H 589 4.275 4.275 4.822 -0.547 18462 12765 1 17 . 1 1 589 589 CYS C C 589 174.401 174.401 175.080 -0.679 18462 12766 1 17 . 1 1 589 589 CYS CA C 589 58.289 58.289 57.489 0.800 18462 12767 1 17 . 1 1 589 589 CYS CB C 589 26.413 26.413 29.787 -3.374 18462 12768 1 17 . 1 1 589 589 CYS H H 589 9.475 9.475 8.881 0.594 18462 12769 1 17 . 1 1 590 590 ARG N N 590 130.942 130.942 128.495 2.447 18462 12770 1 17 . 1 1 590 590 ARG HA H 590 4.689 4.689 4.553 0.136 18462 12771 1 17 . 1 1 590 590 ARG C C 590 175.091 175.091 176.931 -1.840 18462 12772 1 17 . 1 1 590 590 ARG CA C 590 55.241 55.241 56.091 -0.850 18462 12773 1 17 . 1 1 590 590 ARG CB C 590 30.633 30.633 30.613 0.020 18462 12774 1 17 . 1 1 590 590 ARG H H 590 7.227 7.227 9.119 -1.892 18462 12775 1 17 . 1 1 591 591 SER N N 591 117.243 117.243 117.004 0.239 18462 12776 1 17 . 1 1 591 591 SER HA H 591 4.342 4.342 4.352 -0.010 18462 12777 1 17 . 1 1 591 591 SER C C 591 178.367 178.367 174.527 3.840 18462 12778 1 17 . 1 1 591 591 SER CA C 591 59.695 59.695 61.124 -1.429 18462 12779 1 17 . 1 1 591 591 SER CB C 591 61.923 61.923 64.004 -2.081 18462 12780 1 17 . 1 1 591 591 SER H H 591 9.571 9.571 9.019 0.552 18462 12781 1 17 . 1 1 592 592 LEU N N 592 121.308 121.308 117.878 3.430 18462 12782 1 17 . 1 1 592 592 LEU HA H 592 4.778 4.778 4.822 -0.044 18462 12783 1 17 . 1 1 592 592 LEU C C 592 173.260 173.260 175.173 -1.913 18462 12784 1 17 . 1 1 592 592 LEU CA C 592 52.846 52.846 53.459 -0.613 18462 12785 1 17 . 1 1 592 592 LEU CB C 592 45.404 45.404 43.556 1.848 18462 12786 1 17 . 1 1 592 592 LEU H H 592 7.369 7.369 7.357 0.012 18462 12787 1 17 . 1 1 593 593 GLN N N 593 122.109 122.109 119.583 2.526 18462 12788 1 17 . 1 1 593 593 GLN HA H 593 4.564 4.564 4.460 0.104 18462 12789 1 17 . 1 1 593 593 GLN C C 593 175.827 175.827 175.202 0.625 18462 12790 1 17 . 1 1 593 593 GLN CA C 593 54.303 54.303 55.886 -1.583 18462 12791 1 17 . 1 1 593 593 GLN CB C 593 26.882 26.882 27.957 -1.075 18462 12792 1 17 . 1 1 593 593 GLN H H 593 8.599 8.599 8.465 0.134 18462 12793 1 17 . 1 1 594 594 ILE N N 594 118.085 118.085 120.708 -2.623 18462 12794 1 17 . 1 1 594 594 ILE HA H 594 4.755 4.755 4.575 0.180 18462 12795 1 17 . 1 1 594 594 ILE C C 594 175.093 175.093 174.546 0.547 18462 12796 1 17 . 1 1 594 594 ILE CA C 594 58.831 58.831 59.016 -0.185 18462 12797 1 17 . 1 1 594 594 ILE CB C 594 42.591 42.591 41.103 1.488 18462 12798 1 17 . 1 1 594 594 ILE H H 594 7.635 7.635 7.966 -0.331 18462 12799 1 17 . 1 1 595 595 ARG N N 595 123.800 123.800 121.430 2.370 18462 12800 1 17 . 1 1 595 595 ARG HA H 595 4.038 4.038 4.278 -0.240 18462 12801 1 17 . 1 1 595 595 ARG C C 595 175.440 175.440 175.534 -0.094 18462 12802 1 17 . 1 1 595 595 ARG CA C 595 56.386 56.386 55.827 0.559 18462 12803 1 17 . 1 1 595 595 ARG CB C 595 30.516 30.516 30.583 -0.067 18462 12804 1 17 . 1 1 595 595 ARG H H 595 9.075 9.075 8.185 0.890 18462 12805 1 17 . 1 1 596 596 GLN N N 596 124.290 124.290 121.784 2.506 18462 12806 1 17 . 1 1 596 596 GLN HA H 596 4.420 4.420 4.296 0.124 18462 12807 1 17 . 1 1 596 596 GLN C C 596 174.630 174.630 174.640 -0.010 18462 12808 1 17 . 1 1 596 596 GLN CA C 596 52.907 52.907 54.494 -1.587 18462 12809 1 17 . 1 1 596 596 GLN CB C 596 30.164 30.164 30.496 -0.332 18462 12810 1 17 . 1 1 596 596 GLN H H 596 8.495 8.495 8.322 0.173 18462 12811 1 17 . 1 1 597 597 TYR N N 597 121.829 121.829 121.879 -0.050 18462 12812 1 17 . 1 1 597 597 TYR HA H 597 4.767 4.767 4.241 0.526 18462 12813 1 17 . 1 1 597 597 TYR C C 597 175.453 175.453 176.961 -1.508 18462 12814 1 17 . 1 1 597 597 TYR CA C 597 57.467 57.467 57.708 -0.241 18462 12815 1 17 . 1 1 597 597 TYR CB C 597 38.839 38.839 38.648 0.191 18462 12816 1 17 . 1 1 597 597 TYR H H 597 7.966 7.966 8.257 -0.291 18462 12817 1 17 . 1 1 598 598 ALA N N 598 129.272 129.272 123.218 6.054 18462 12818 1 17 . 1 1 598 598 ALA HA H 598 4.191 4.191 4.113 0.078 18462 12819 1 17 . 1 1 598 598 ALA C C 598 177.425 177.425 177.030 0.395 18462 12820 1 17 . 1 1 598 598 ALA CA C 598 54.040 54.040 54.273 -0.233 18462 12821 1 17 . 1 1 598 598 ALA CB C 598 17.749 17.749 18.392 -0.643 18462 12822 1 17 . 1 1 598 598 ALA H H 598 9.540 9.540 8.801 0.739 18462 12823 1 17 . 1 1 599 599 TYR N N 599 115.845 115.845 111.557 4.288 18462 12824 1 17 . 1 1 599 599 TYR HA H 599 4.560 4.560 4.557 0.003 18462 12825 1 17 . 1 1 599 599 TYR C C 599 173.276 173.276 176.710 -3.434 18462 12826 1 17 . 1 1 599 599 TYR CA C 599 58.172 58.172 58.647 -0.475 18462 12827 1 17 . 1 1 599 599 TYR CB C 599 36.432 36.432 37.955 -1.523 18462 12828 1 17 . 1 1 599 599 TYR H H 599 8.496 8.496 7.636 0.860 18462 12829 1 17 . 1 1 600 600 LEU N N 600 120.764 120.764 121.271 -0.507 18462 12830 1 17 . 1 1 600 600 LEU HA H 600 4.260 4.260 4.328 -0.068 18462 12831 1 17 . 1 1 600 600 LEU C C 600 176.164 176.164 178.264 -2.100 18462 12832 1 17 . 1 1 600 600 LEU CA C 600 54.303 54.303 55.135 -0.832 18462 12833 1 17 . 1 1 600 600 LEU CB C 600 41.419 41.419 41.005 0.414 18462 12834 1 17 . 1 1 600 600 LEU H H 600 7.299 7.299 7.479 -0.180 18462 12835 1 17 . 1 1 601 601 SER N N 601 114.419 114.419 112.600 1.819 18462 12836 1 17 . 1 1 601 601 SER HA H 601 4.418 4.418 4.306 0.112 18462 12837 1 17 . 1 1 601 601 SER C C 601 177.754 177.754 174.527 3.227 18462 12838 1 17 . 1 1 601 601 SER CA C 601 58.054 58.054 59.252 -1.198 18462 12839 1 17 . 1 1 601 601 SER CB C 601 63.212 63.212 63.186 0.026 18462 12840 1 17 . 1 1 601 601 SER H H 601 7.896 7.896 7.775 0.121 18462 12841 1 17 . 1 1 602 602 ASP N N 602 122.293 122.293 122.382 -0.089 18462 12842 1 17 . 1 1 602 602 ASP HA H 602 4.651 4.651 4.574 0.077 18462 12843 1 17 . 1 1 602 602 ASP C C 602 174.087 174.087 176.424 -2.337 18462 12844 1 17 . 1 1 602 602 ASP CA C 602 53.845 53.845 54.851 -1.006 18462 12845 1 17 . 1 1 602 602 ASP CB C 602 40.481 40.481 41.907 -1.426 18462 12846 1 17 . 1 1 602 602 ASP H H 602 8.257 8.257 7.441 0.816 18462 12847 1 17 . 1 1 603 603 ARG N N 603 121.398 121.398 122.996 -1.598 18462 12848 1 17 . 1 1 603 603 ARG HA H 603 4.454 4.454 4.219 0.235 18462 12849 1 17 . 1 1 603 603 ARG C C 603 176.111 176.111 176.520 -0.409 18462 12850 1 17 . 1 1 603 603 ARG CA C 603 55.241 55.241 57.317 -2.076 18462 12851 1 17 . 1 1 603 603 ARG CB C 603 30.164 30.164 30.122 0.042 18462 12852 1 17 . 1 1 603 603 ARG H H 603 8.234 8.234 8.644 -0.410 18462 12853 1 18 . 1 1 473 473 ASN HA H 473 4.815 4.815 4.925 -0.110 18462 12854 1 18 . 1 1 473 473 ASN CA C 473 52.204 52.204 52.701 -0.497 18462 12855 1 18 . 1 1 473 473 ASN CB C 473 38.371 38.371 40.197 -1.826 18462 12856 1 18 . 1 1 474 474 LYS N N 474 122.150 122.150 119.630 2.520 18462 12857 1 18 . 1 1 474 474 LYS HA H 474 4.375 4.375 4.386 -0.011 18462 12858 1 18 . 1 1 474 474 LYS C C 474 174.965 174.965 176.180 -1.215 18462 12859 1 18 . 1 1 474 474 LYS CA C 474 55.944 55.944 55.629 0.315 18462 12860 1 18 . 1 1 474 474 LYS CB C 474 32.405 32.405 34.568 -2.163 18462 12861 1 18 . 1 1 474 474 LYS H H 474 8.586 8.586 8.494 0.092 18462 12862 1 18 . 1 1 475 475 ARG N N 475 122.278 122.278 122.158 0.120 18462 12863 1 18 . 1 1 475 475 ARG HA H 475 4.374 4.374 4.390 -0.016 18462 12864 1 18 . 1 1 475 475 ARG C C 475 176.695 176.695 176.097 0.598 18462 12865 1 18 . 1 1 475 475 ARG CA C 475 55.944 55.944 55.950 -0.006 18462 12866 1 18 . 1 1 475 475 ARG CB C 475 30.164 30.164 28.591 1.573 18462 12867 1 18 . 1 1 475 475 ARG H H 475 8.662 8.662 8.615 0.047 18462 12868 1 18 . 1 1 476 476 MET N N 476 122.046 122.046 124.410 -2.364 18462 12869 1 18 . 1 1 476 476 MET HA H 476 4.496 4.496 4.666 -0.170 18462 12870 1 18 . 1 1 476 476 MET C C 476 176.359 176.359 176.649 -0.290 18462 12871 1 18 . 1 1 476 476 MET CA C 476 54.537 54.537 55.840 -1.302 18462 12872 1 18 . 1 1 476 476 MET CB C 476 32.509 32.509 34.160 -1.651 18462 12873 1 18 . 1 1 476 476 MET H H 476 8.490 8.490 8.220 0.270 18462 12874 1 18 . 1 1 477 477 LYS N N 477 123.768 123.768 122.530 1.238 18462 12875 1 18 . 1 1 477 477 LYS HA H 477 4.384 4.384 4.523 -0.139 18462 12876 1 18 . 1 1 477 477 LYS C C 477 176.015 176.015 175.010 1.005 18462 12877 1 18 . 1 1 477 477 LYS CA C 477 55.834 55.834 56.352 -0.518 18462 12878 1 18 . 1 1 477 477 LYS CB C 477 32.107 32.107 32.439 -0.332 18462 12879 1 18 . 1 1 477 477 LYS H H 477 8.472 8.472 8.519 -0.047 18462 12880 1 18 . 1 1 478 478 VAL N N 478 122.460 122.460 117.339 5.121 18462 12881 1 18 . 1 1 478 478 VAL HA H 478 4.054 4.054 4.259 -0.205 18462 12882 1 18 . 1 1 478 478 VAL C C 478 176.320 176.320 175.398 0.922 18462 12883 1 18 . 1 1 478 478 VAL CA C 478 61.337 61.337 60.407 0.930 18462 12884 1 18 . 1 1 478 478 VAL CB C 478 32.275 32.275 32.941 -0.666 18462 12885 1 18 . 1 1 478 478 VAL H H 478 8.230 8.230 7.678 0.552 18462 12886 1 18 . 1 1 479 479 LYS N N 479 126.119 126.119 121.207 4.912 18462 12887 1 18 . 1 1 479 479 LYS HA H 479 4.365 4.365 4.117 0.248 18462 12888 1 18 . 1 1 479 479 LYS C C 479 175.605 175.605 176.275 -0.670 18462 12889 1 18 . 1 1 479 479 LYS CA C 479 55.006 55.006 55.925 -0.919 18462 12890 1 18 . 1 1 479 479 LYS CB C 479 32.098 32.098 32.956 -0.858 18462 12891 1 18 . 1 1 479 479 LYS H H 479 8.453 8.453 8.223 0.230 18462 12892 1 18 . 1 1 480 480 HIS N N 480 121.065 121.065 126.231 -5.166 18462 12893 1 18 . 1 1 480 480 HIS HA H 480 4.713 4.713 4.526 0.187 18462 12894 1 18 . 1 1 480 480 HIS C C 480 175.937 175.937 174.403 1.534 18462 12895 1 18 . 1 1 480 480 HIS CA C 480 54.537 54.537 55.851 -1.314 18462 12896 1 18 . 1 1 480 480 HIS CB C 480 30.047 30.047 29.055 0.992 18462 12897 1 18 . 1 1 480 480 HIS H H 480 8.559 8.559 8.474 0.085 18462 12898 1 18 . 1 1 481 481 ASP HA H 481 4.392 4.392 4.703 -0.311 18462 12899 1 18 . 1 1 481 481 ASP C C 481 174.413 174.413 175.641 -1.228 18462 12900 1 18 . 1 1 481 481 ASP CA C 481 52.907 52.907 52.791 0.117 18462 12901 1 18 . 1 1 481 481 ASP CB C 481 39.543 39.543 40.399 -0.856 18462 12902 1 18 . 1 1 482 482 ASP N N 482 118.362 118.362 117.076 1.286 18462 12903 1 18 . 1 1 482 482 ASP HA H 482 4.710 4.710 4.472 0.238 18462 12904 1 18 . 1 1 482 482 ASP C C 482 175.104 175.104 175.049 0.055 18462 12905 1 18 . 1 1 482 482 ASP CA C 482 53.376 53.376 53.350 0.026 18462 12906 1 18 . 1 1 482 482 ASP CB C 482 39.308 39.308 40.705 -1.397 18462 12907 1 18 . 1 1 482 482 ASP H H 482 8.216 8.216 7.605 0.611 18462 12908 1 18 . 1 1 483 483 HIS N N 483 113.578 113.578 113.821 -0.243 18462 12909 1 18 . 1 1 483 483 HIS HA H 483 5.886 5.886 5.341 0.545 18462 12910 1 18 . 1 1 483 483 HIS C C 483 175.274 175.274 172.692 2.582 18462 12911 1 18 . 1 1 483 483 HIS CA C 483 55.241 55.241 55.599 -0.358 18462 12912 1 18 . 1 1 483 483 HIS CB C 483 32.040 32.040 31.443 0.597 18462 12913 1 18 . 1 1 483 483 HIS H H 483 7.692 7.692 7.258 0.434 18462 12914 1 18 . 1 1 484 484 TYR N N 484 116.271 116.271 114.385 1.886 18462 12915 1 18 . 1 1 484 484 TYR HA H 484 5.003 5.003 4.913 0.090 18462 12916 1 18 . 1 1 484 484 TYR C C 484 180.038 180.038 173.595 6.443 18462 12917 1 18 . 1 1 484 484 TYR CA C 484 55.241 55.241 56.332 -1.091 18462 12918 1 18 . 1 1 484 484 TYR CB C 484 39.777 39.777 40.410 -0.633 18462 12919 1 18 . 1 1 484 484 TYR H H 484 8.493 8.493 8.708 -0.215 18462 12920 1 18 . 1 1 485 485 GLU N N 485 120.840 120.840 121.505 -0.665 18462 12921 1 18 . 1 1 485 485 GLU HA H 485 5.301 5.301 5.363 -0.062 18462 12922 1 18 . 1 1 485 485 GLU C C 485 174.101 174.101 175.834 -1.733 18462 12923 1 18 . 1 1 485 485 GLU CA C 485 54.772 54.772 55.687 -0.915 18462 12924 1 18 . 1 1 485 485 GLU CB C 485 31.337 31.337 31.391 -0.054 18462 12925 1 18 . 1 1 485 485 GLU H H 485 8.873 8.873 8.765 0.108 18462 12926 1 18 . 1 1 486 486 LEU N N 486 125.807 125.807 126.333 -0.526 18462 12927 1 18 . 1 1 486 486 LEU HA H 486 4.762 4.762 4.848 -0.086 18462 12928 1 18 . 1 1 486 486 LEU C C 486 175.613 175.613 174.965 0.648 18462 12929 1 18 . 1 1 486 486 LEU CA C 486 53.645 53.645 54.416 -0.771 18462 12930 1 18 . 1 1 486 486 LEU CB C 486 45.873 45.873 45.408 0.465 18462 12931 1 18 . 1 1 486 486 LEU H H 486 8.957 8.957 8.966 -0.009 18462 12932 1 18 . 1 1 487 487 ILE N N 487 125.332 125.332 127.710 -2.378 18462 12933 1 18 . 1 1 487 487 ILE HA H 487 5.007 5.007 4.540 0.467 18462 12934 1 18 . 1 1 487 487 ILE C C 487 174.543 174.543 175.355 -0.812 18462 12935 1 18 . 1 1 487 487 ILE CA C 487 59.695 59.695 61.164 -1.470 18462 12936 1 18 . 1 1 487 487 ILE CB C 487 37.433 37.433 38.319 -0.886 18462 12937 1 18 . 1 1 487 487 ILE H H 487 8.549 8.549 8.441 0.108 18462 12938 1 18 . 1 1 488 488 VAL N N 488 129.307 129.307 128.126 1.181 18462 12939 1 18 . 1 1 488 488 VAL HA H 488 4.304 4.304 4.162 0.142 18462 12940 1 18 . 1 1 488 488 VAL C C 488 176.678 176.678 175.456 1.222 18462 12941 1 18 . 1 1 488 488 VAL CA C 488 60.868 60.868 60.492 0.376 18462 12942 1 18 . 1 1 488 488 VAL CB C 488 33.681 33.681 34.192 -0.511 18462 12943 1 18 . 1 1 488 488 VAL H H 488 9.456 9.456 8.609 0.847 18462 12944 1 18 . 1 1 489 489 ASP N N 489 128.884 128.884 127.551 1.333 18462 12945 1 18 . 1 1 489 489 ASP HA H 489 4.301 4.301 4.248 0.053 18462 12946 1 18 . 1 1 489 489 ASP C C 489 176.084 176.084 177.188 -1.104 18462 12947 1 18 . 1 1 489 489 ASP CA C 489 54.537 54.537 54.724 -0.187 18462 12948 1 18 . 1 1 489 489 ASP CB C 489 39.074 39.074 40.536 -1.462 18462 12949 1 18 . 1 1 489 489 ASP H H 489 9.144 9.144 9.100 0.044 18462 12950 1 18 . 1 1 490 490 GLY N N 490 102.410 102.410 102.337 0.073 18462 12951 1 18 . 1 1 490 490 GLY C C 490 175.998 175.998 173.954 2.044 18462 12952 1 18 . 1 1 490 490 GLY CA C 490 44.818 44.818 45.443 -0.625 18462 12953 1 18 . 1 1 490 490 GLY H H 490 8.210 8.210 8.333 -0.123 18462 12954 1 18 . 1 1 491 491 ARG N N 491 122.605 122.605 120.361 2.244 18462 12955 1 18 . 1 1 491 491 ARG HA H 491 4.597 4.597 4.643 -0.046 18462 12956 1 18 . 1 1 491 491 ARG C C 491 173.256 173.256 175.106 -1.850 18462 12957 1 18 . 1 1 491 491 ARG CA C 491 53.610 53.610 54.288 -0.678 18462 12958 1 18 . 1 1 491 491 ARG CB C 491 32.040 32.040 32.056 -0.016 18462 12959 1 18 . 1 1 491 491 ARG H H 491 7.938 7.938 7.825 0.113 18462 12960 1 18 . 1 1 492 492 VAL N N 492 123.769 123.769 124.014 -0.245 18462 12961 1 18 . 1 1 492 492 VAL HA H 492 4.128 4.128 3.800 0.328 18462 12962 1 18 . 1 1 492 492 VAL C C 492 173.470 173.470 175.143 -1.673 18462 12963 1 18 . 1 1 492 492 VAL CA C 492 62.210 62.210 62.398 -0.188 18462 12964 1 18 . 1 1 492 492 VAL CB C 492 32.040 32.040 31.427 0.613 18462 12965 1 18 . 1 1 492 492 VAL H H 492 8.157 8.157 8.582 -0.425 18462 12966 1 18 . 1 1 493 493 TYR N N 493 124.842 124.842 126.603 -1.761 18462 12967 1 18 . 1 1 493 493 TYR HA H 493 4.632 4.632 4.705 -0.073 18462 12968 1 18 . 1 1 493 493 TYR C C 493 174.288 174.288 175.193 -0.905 18462 12969 1 18 . 1 1 493 493 TYR CA C 493 56.308 56.308 53.836 2.472 18462 12970 1 18 . 1 1 493 493 TYR CB C 493 40.481 40.481 40.543 -0.062 18462 12971 1 18 . 1 1 493 493 TYR H H 493 8.981 8.981 8.693 0.288 18462 12972 1 18 . 1 1 494 494 TYR N N 494 120.511 120.511 119.414 1.097 18462 12973 1 18 . 1 1 494 494 TYR HA H 494 4.763 4.763 5.190 -0.427 18462 12974 1 18 . 1 1 494 494 TYR C C 494 173.811 173.811 175.504 -1.693 18462 12975 1 18 . 1 1 494 494 TYR CA C 494 56.764 56.764 56.589 0.175 18462 12976 1 18 . 1 1 494 494 TYR CB C 494 38.722 38.722 39.382 -0.660 18462 12977 1 18 . 1 1 494 494 TYR H H 494 9.235 9.235 9.141 0.094 18462 12978 1 18 . 1 1 495 495 ILE N N 495 124.930 124.930 123.059 1.871 18462 12979 1 18 . 1 1 495 495 ILE HA H 495 4.780 4.780 4.860 -0.080 18462 12980 1 18 . 1 1 495 495 ILE C C 495 174.764 174.764 175.588 -0.824 18462 12981 1 18 . 1 1 495 495 ILE CA C 495 57.714 57.714 59.288 -1.574 18462 12982 1 18 . 1 1 495 495 ILE CB C 495 36.729 36.729 40.318 -3.589 18462 12983 1 18 . 1 1 495 495 ILE H H 495 9.136 9.136 9.170 -0.034 18462 12984 1 18 . 1 1 496 496 CYS N N 496 127.535 127.535 127.847 -0.312 18462 12985 1 18 . 1 1 496 496 CYS HA H 496 4.745 4.745 4.923 -0.178 18462 12986 1 18 . 1 1 496 496 CYS C C 496 176.128 176.128 177.018 -0.890 18462 12987 1 18 . 1 1 496 496 CYS CA C 496 60.574 60.574 58.849 1.725 18462 12988 1 18 . 1 1 496 496 CYS CB C 496 29.227 29.227 27.973 1.254 18462 12989 1 18 . 1 1 496 496 CYS H H 496 9.016 9.016 8.828 0.188 18462 12990 1 18 . 1 1 497 497 ILE N N 497 129.645 129.645 126.559 3.086 18462 12991 1 18 . 1 1 497 497 ILE HA H 497 4.176 4.176 4.216 -0.040 18462 12992 1 18 . 1 1 497 497 ILE C C 497 177.925 177.925 176.857 1.068 18462 12993 1 18 . 1 1 497 497 ILE CA C 497 63.447 63.447 64.467 -1.020 18462 12994 1 18 . 1 1 497 497 ILE CB C 497 39.543 39.543 37.805 1.738 18462 12995 1 18 . 1 1 497 497 ILE H H 497 8.295 8.295 8.398 -0.103 18462 12996 1 18 . 1 1 498 498 VAL N N 498 123.791 123.791 121.877 1.914 18462 12997 1 18 . 1 1 498 498 VAL HA H 498 3.939 3.939 3.763 0.176 18462 12998 1 18 . 1 1 498 498 VAL C C 498 176.127 176.127 177.405 -1.278 18462 12999 1 18 . 1 1 498 498 VAL CA C 498 64.619 64.619 65.519 -0.900 18462 13000 1 18 . 1 1 498 498 VAL CB C 498 32.275 32.275 31.345 0.930 18462 13001 1 18 . 1 1 498 498 VAL H H 498 8.993 8.993 8.284 0.709 18462 13002 1 18 . 1 1 499 499 CYS N N 499 117.267 117.267 111.736 5.531 18462 13003 1 18 . 1 1 499 499 CYS HA H 499 5.157 5.157 4.846 0.311 18462 13004 1 18 . 1 1 499 499 CYS C C 499 177.106 177.106 174.988 2.118 18462 13005 1 18 . 1 1 499 499 CYS CA C 499 57.820 57.820 57.302 0.518 18462 13006 1 18 . 1 1 499 499 CYS CB C 499 31.571 31.571 29.410 2.161 18462 13007 1 18 . 1 1 499 499 CYS H H 499 8.307 8.307 8.018 0.289 18462 13008 1 18 . 1 1 500 500 LYS N N 500 117.950 117.950 119.267 -1.317 18462 13009 1 18 . 1 1 500 500 LYS HA H 500 4.306 4.306 4.091 0.215 18462 13010 1 18 . 1 1 500 500 LYS C C 500 175.869 175.869 175.442 0.427 18462 13011 1 18 . 1 1 500 500 LYS CA C 500 57.585 57.585 57.276 0.309 18462 13012 1 18 . 1 1 500 500 LYS CB C 500 28.289 28.289 29.789 -1.500 18462 13013 1 18 . 1 1 500 500 LYS H H 500 8.169 8.169 8.210 -0.042 18462 13014 1 18 . 1 1 501 501 ARG N N 501 121.270 121.270 119.658 1.612 18462 13015 1 18 . 1 1 501 501 ARG HA H 501 4.090 4.090 4.250 -0.160 18462 13016 1 18 . 1 1 501 501 ARG C C 501 175.587 175.587 175.839 -0.252 18462 13017 1 18 . 1 1 501 501 ARG CA C 501 58.289 58.289 55.954 2.335 18462 13018 1 18 . 1 1 501 501 ARG CB C 501 29.694 29.694 31.372 -1.678 18462 13019 1 18 . 1 1 501 501 ARG H H 501 8.071 8.071 7.900 0.171 18462 13020 1 18 . 1 1 502 502 SER N N 502 112.997 112.997 118.041 -5.044 18462 13021 1 18 . 1 1 502 502 SER HA H 502 5.003 5.003 4.751 0.252 18462 13022 1 18 . 1 1 502 502 SER C C 502 174.417 174.417 173.247 1.170 18462 13023 1 18 . 1 1 502 502 SER CA C 502 55.475 55.475 57.413 -1.938 18462 13024 1 18 . 1 1 502 502 SER CB C 502 65.088 65.088 64.410 0.678 18462 13025 1 18 . 1 1 502 502 SER H H 502 7.553 7.553 8.307 -0.754 18462 13026 1 18 . 1 1 503 503 TYR N N 503 121.115 121.115 122.434 -1.319 18462 13027 1 18 . 1 1 503 503 TYR HA H 503 4.996 4.996 4.728 0.268 18462 13028 1 18 . 1 1 503 503 TYR C C 503 173.707 173.707 175.554 -1.847 18462 13029 1 18 . 1 1 503 503 TYR CA C 503 57.585 57.585 58.146 -0.561 18462 13030 1 18 . 1 1 503 503 TYR CB C 503 42.244 42.244 42.331 -0.087 18462 13031 1 18 . 1 1 503 503 TYR H H 503 8.958 8.958 8.439 0.519 18462 13032 1 18 . 1 1 504 504 VAL N N 504 119.390 119.390 120.590 -1.200 18462 13033 1 18 . 1 1 504 504 VAL HA H 504 4.376 4.376 4.065 0.311 18462 13034 1 18 . 1 1 504 504 VAL C C 504 176.390 176.390 175.575 0.815 18462 13035 1 18 . 1 1 504 504 VAL CA C 504 62.275 62.275 63.859 -1.584 18462 13036 1 18 . 1 1 504 504 VAL CB C 504 33.025 33.025 32.563 0.462 18462 13037 1 18 . 1 1 504 504 VAL H H 504 9.988 9.988 8.623 1.365 18462 13038 1 18 . 1 1 505 505 CYS N N 505 113.800 113.800 116.633 -2.833 18462 13039 1 18 . 1 1 505 505 CYS HA H 505 4.998 4.998 4.773 0.225 18462 13040 1 18 . 1 1 505 505 CYS C C 505 176.603 176.603 174.920 1.683 18462 13041 1 18 . 1 1 505 505 CYS CA C 505 56.647 56.647 57.916 -1.268 18462 13042 1 18 . 1 1 505 505 CYS CB C 505 38.406 38.406 31.286 7.120 18462 13043 1 18 . 1 1 505 505 CYS H H 505 7.518 7.518 7.814 -0.296 18462 13044 1 18 . 1 1 506 506 LEU N N 506 129.535 129.535 124.837 4.698 18462 13045 1 18 . 1 1 506 506 LEU HA H 506 3.325 3.325 3.497 -0.172 18462 13046 1 18 . 1 1 506 506 LEU C C 506 174.727 174.727 178.022 -3.295 18462 13047 1 18 . 1 1 506 506 LEU CA C 506 56.647 56.647 58.208 -1.561 18462 13048 1 18 . 1 1 506 506 LEU CB C 506 39.308 39.308 41.248 -1.940 18462 13049 1 18 . 1 1 506 506 LEU H H 506 8.602 8.602 8.724 -0.122 18462 13050 1 18 . 1 1 507 507 THR N N 507 108.833 108.833 109.132 -0.299 18462 13051 1 18 . 1 1 507 507 THR HA H 507 3.820 3.820 3.819 0.001 18462 13052 1 18 . 1 1 507 507 THR C C 507 178.905 178.905 176.981 1.924 18462 13053 1 18 . 1 1 507 507 THR CA C 507 64.150 64.150 65.577 -1.427 18462 13054 1 18 . 1 1 507 507 THR CB C 507 66.260 66.260 68.058 -1.798 18462 13055 1 18 . 1 1 507 507 THR H H 507 8.087 8.087 8.112 -0.025 18462 13056 1 18 . 1 1 508 508 SER N N 508 119.009 119.009 118.212 0.797 18462 13057 1 18 . 1 1 508 508 SER HA H 508 4.123 4.123 4.099 0.024 18462 13058 1 18 . 1 1 508 508 SER C C 508 178.467 178.467 176.004 2.463 18462 13059 1 18 . 1 1 508 508 SER CA C 508 59.461 59.461 60.880 -1.419 18462 13060 1 18 . 1 1 508 508 SER CB C 508 62.978 62.978 62.999 -0.021 18462 13061 1 18 . 1 1 508 508 SER H H 508 7.230 7.230 7.452 -0.222 18462 13062 1 18 . 1 1 509 509 LEU N N 509 127.365 127.365 123.352 4.013 18462 13063 1 18 . 1 1 509 509 LEU HA H 509 3.216 3.216 3.166 0.050 18462 13064 1 18 . 1 1 509 509 LEU C C 509 176.740 176.740 177.853 -1.113 18462 13065 1 18 . 1 1 509 509 LEU CA C 509 57.351 57.351 57.777 -0.426 18462 13066 1 18 . 1 1 509 509 LEU CB C 509 39.074 39.074 41.756 -2.682 18462 13067 1 18 . 1 1 509 509 LEU H H 509 7.114 7.114 7.582 -0.468 18462 13068 1 18 . 1 1 510 510 ARG N N 510 119.955 119.955 118.293 1.662 18462 13069 1 18 . 1 1 510 510 ARG HA H 510 3.843 3.843 3.929 -0.086 18462 13070 1 18 . 1 1 510 510 ARG C C 510 178.472 178.472 178.771 -0.299 18462 13071 1 18 . 1 1 510 510 ARG CA C 510 61.766 61.766 58.152 3.614 18462 13072 1 18 . 1 1 510 510 ARG CB C 510 28.992 28.992 28.998 -0.006 18462 13073 1 18 . 1 1 510 510 ARG H H 510 8.100 8.100 8.443 -0.343 18462 13074 1 18 . 1 1 511 511 ARG N N 511 120.947 120.947 118.964 1.983 18462 13075 1 18 . 1 1 511 511 ARG HA H 511 4.078 4.078 3.863 0.215 18462 13076 1 18 . 1 1 511 511 ARG C C 511 178.262 178.262 177.713 0.549 18462 13077 1 18 . 1 1 511 511 ARG CA C 511 59.054 59.054 59.327 -0.273 18462 13078 1 18 . 1 1 511 511 ARG CB C 511 29.695 29.695 29.793 -0.098 18462 13079 1 18 . 1 1 511 511 ARG H H 511 7.802 7.802 7.967 -0.165 18462 13080 1 18 . 1 1 512 512 HIS N N 512 116.820 116.820 117.528 -0.708 18462 13081 1 18 . 1 1 512 512 HIS HA H 512 4.219 4.219 4.274 -0.055 18462 13082 1 18 . 1 1 512 512 HIS C C 512 178.069 178.069 177.386 0.683 18462 13083 1 18 . 1 1 512 512 HIS CA C 512 57.507 57.507 58.471 -0.964 18462 13084 1 18 . 1 1 512 512 HIS CB C 512 27.390 27.390 30.111 -2.721 18462 13085 1 18 . 1 1 512 512 HIS H H 512 7.809 7.809 7.611 0.198 18462 13086 1 18 . 1 1 513 513 PHE N N 513 118.415 118.415 121.479 -3.064 18462 13087 1 18 . 1 1 513 513 PHE HA H 513 3.620 3.620 3.923 -0.303 18462 13088 1 18 . 1 1 513 513 PHE C C 513 176.026 176.026 176.546 -0.520 18462 13089 1 18 . 1 1 513 513 PHE CA C 513 61.102 61.102 61.529 -0.427 18462 13090 1 18 . 1 1 513 513 PHE CB C 513 38.996 38.996 39.060 -0.065 18462 13091 1 18 . 1 1 513 513 PHE H H 513 8.898 8.898 8.757 0.141 18462 13092 1 18 . 1 1 514 514 ASN N N 514 114.080 114.080 118.411 -4.331 18462 13093 1 18 . 1 1 514 514 ASN HA H 514 4.988 4.988 4.387 0.601 18462 13094 1 18 . 1 1 514 514 ASN C C 514 176.236 176.236 177.197 -0.961 18462 13095 1 18 . 1 1 514 514 ASN CA C 514 55.006 55.006 55.625 -0.619 18462 13096 1 18 . 1 1 514 514 ASN CB C 514 40.129 40.129 38.557 1.572 18462 13097 1 18 . 1 1 514 514 ASN H H 514 8.678 8.678 7.840 0.838 18462 13098 1 18 . 1 1 515 515 ILE N N 515 114.035 114.035 118.546 -4.511 18462 13099 1 18 . 1 1 515 515 ILE HA H 515 2.997 2.997 3.151 -0.154 18462 13100 1 18 . 1 1 515 515 ILE C C 515 176.292 176.292 175.777 0.515 18462 13101 1 18 . 1 1 515 515 ILE CA C 515 63.447 63.447 63.249 0.198 18462 13102 1 18 . 1 1 515 515 ILE CB C 515 37.198 37.198 37.545 -0.347 18462 13103 1 18 . 1 1 515 515 ILE H H 515 7.919 7.919 7.690 0.229 18462 13104 1 18 . 1 1 516 516 HIS N N 516 113.136 113.136 117.566 -4.430 18462 13105 1 18 . 1 1 516 516 HIS HA H 516 4.767 4.767 4.532 0.235 18462 13106 1 18 . 1 1 516 516 HIS C C 516 175.870 175.870 177.235 -1.365 18462 13107 1 18 . 1 1 516 516 HIS CA C 516 54.542 54.542 58.296 -3.754 18462 13108 1 18 . 1 1 516 516 HIS CB C 516 27.585 27.585 30.149 -2.564 18462 13109 1 18 . 1 1 516 516 HIS H H 516 7.170 7.170 7.512 -0.342 18462 13110 1 18 . 1 1 517 517 SER N N 517 112.852 112.852 113.988 -1.136 18462 13111 1 18 . 1 1 517 517 SER HA H 517 4.359 4.359 4.314 0.045 18462 13112 1 18 . 1 1 517 517 SER C C 517 177.067 177.067 175.415 1.652 18462 13113 1 18 . 1 1 517 517 SER CA C 517 58.758 58.758 59.431 -0.673 18462 13114 1 18 . 1 1 517 517 SER CB C 517 63.447 63.447 64.234 -0.787 18462 13115 1 18 . 1 1 517 517 SER H H 517 7.886 7.886 7.696 0.190 18462 13116 1 18 . 1 1 518 518 TRP N N 518 122.824 122.824 120.977 1.847 18462 13117 1 18 . 1 1 518 518 TRP HA H 518 4.005 4.005 4.353 -0.348 18462 13118 1 18 . 1 1 518 518 TRP C C 518 175.133 175.133 176.829 -1.696 18462 13119 1 18 . 1 1 518 518 TRP CA C 518 57.820 57.820 58.481 -0.661 18462 13120 1 18 . 1 1 518 518 TRP CB C 518 25.710 25.710 26.497 -0.787 18462 13121 1 18 . 1 1 518 518 TRP H H 518 9.274 9.274 7.537 1.737 18462 13122 1 18 . 1 1 519 519 GLU N N 519 119.673 119.673 116.759 2.914 18462 13123 1 18 . 1 1 519 519 GLU HA H 519 4.042 4.042 4.108 -0.066 18462 13124 1 18 . 1 1 519 519 GLU C C 519 175.353 175.353 176.467 -1.114 18462 13125 1 18 . 1 1 519 519 GLU CA C 519 58.758 58.758 58.331 0.427 18462 13126 1 18 . 1 1 519 519 GLU CB C 519 29.695 29.695 29.939 -0.244 18462 13127 1 18 . 1 1 519 519 GLU H H 519 7.828 7.828 7.883 -0.055 18462 13128 1 18 . 1 1 520 520 LYS N N 520 118.358 118.358 119.175 -0.817 18462 13129 1 18 . 1 1 520 520 LYS HA H 520 4.544 4.544 4.451 0.093 18462 13130 1 18 . 1 1 520 520 LYS C C 520 178.036 178.036 174.572 3.464 18462 13131 1 18 . 1 1 520 520 LYS CA C 520 53.845 53.845 55.232 -1.387 18462 13132 1 18 . 1 1 520 520 LYS CB C 520 34.385 34.385 35.072 -0.687 18462 13133 1 18 . 1 1 520 520 LYS H H 520 9.085 9.085 7.829 1.256 18462 13134 1 18 . 1 1 521 521 LYS N N 521 118.859 118.859 122.781 -3.922 18462 13135 1 18 . 1 1 521 521 LYS HA H 521 4.658 4.658 4.525 0.133 18462 13136 1 18 . 1 1 521 521 LYS C C 521 175.168 175.168 175.815 -0.647 18462 13137 1 18 . 1 1 521 521 LYS CA C 521 54.537 54.537 55.476 -0.939 18462 13138 1 18 . 1 1 521 521 LYS CB C 521 35.323 35.323 34.184 1.139 18462 13139 1 18 . 1 1 521 521 LYS H H 521 8.238 8.238 8.525 -0.287 18462 13140 1 18 . 1 1 522 522 TYR N N 522 117.305 117.305 121.474 -4.169 18462 13141 1 18 . 1 1 522 522 TYR HA H 522 5.028 5.028 4.916 0.112 18462 13142 1 18 . 1 1 522 522 TYR C C 522 175.016 175.016 174.086 0.930 18462 13143 1 18 . 1 1 522 522 TYR CA C 522 54.537 54.537 55.066 -0.529 18462 13144 1 18 . 1 1 522 522 TYR CB C 522 37.198 37.198 38.247 -1.049 18462 13145 1 18 . 1 1 522 522 TYR H H 522 7.788 7.788 8.585 -0.797 18462 13146 1 18 . 1 1 523 523 PRO HA H 523 5.026 5.026 4.871 0.155 18462 13147 1 18 . 1 1 523 523 PRO CA C 523 61.806 61.806 62.422 -0.617 18462 13148 1 18 . 1 1 523 523 PRO CB C 523 31.839 31.839 32.245 -0.406 18462 13149 1 18 . 1 1 524 524 CYS N N 524 126.569 126.569 124.631 1.938 18462 13150 1 18 . 1 1 524 524 CYS HA H 524 4.739 4.739 4.637 0.102 18462 13151 1 18 . 1 1 524 524 CYS C C 524 176.841 176.841 176.403 0.438 18462 13152 1 18 . 1 1 524 524 CYS CA C 524 60.290 60.290 58.353 1.937 18462 13153 1 18 . 1 1 524 524 CYS CB C 524 29.344 29.344 29.279 0.065 18462 13154 1 18 . 1 1 524 524 CYS H H 524 9.210 9.210 8.743 0.467 18462 13155 1 18 . 1 1 525 525 ARG N N 525 130.294 130.294 125.800 4.494 18462 13156 1 18 . 1 1 525 525 ARG HA H 525 4.285 4.285 4.139 0.146 18462 13157 1 18 . 1 1 525 525 ARG C C 525 176.390 176.390 177.165 -0.775 18462 13158 1 18 . 1 1 525 525 ARG CA C 525 58.043 58.043 58.050 -0.007 18462 13159 1 18 . 1 1 525 525 ARG CB C 525 27.576 27.576 30.084 -2.508 18462 13160 1 18 . 1 1 525 525 ARG H H 525 9.724 9.724 9.330 0.394 18462 13161 1 18 . 1 1 526 526 TYR N N 526 122.622 122.622 118.619 4.003 18462 13162 1 18 . 1 1 526 526 TYR HA H 526 4.517 4.517 4.353 0.164 18462 13163 1 18 . 1 1 526 526 TYR C C 526 176.659 176.659 175.744 0.915 18462 13164 1 18 . 1 1 526 526 TYR CA C 526 58.054 58.054 58.141 -0.087 18462 13165 1 18 . 1 1 526 526 TYR CB C 526 37.628 37.628 38.118 -0.491 18462 13166 1 18 . 1 1 526 526 TYR H H 526 10.439 10.439 8.150 2.289 18462 13167 1 18 . 1 1 527 527 CYS N N 527 122.873 122.873 115.285 7.588 18462 13168 1 18 . 1 1 527 527 CYS HA H 527 5.153 5.153 4.930 0.223 18462 13169 1 18 . 1 1 527 527 CYS C C 527 175.243 175.243 174.542 0.701 18462 13170 1 18 . 1 1 527 527 CYS CA C 527 58.148 58.148 56.108 2.040 18462 13171 1 18 . 1 1 527 527 CYS CB C 527 30.164 30.164 31.407 -1.243 18462 13172 1 18 . 1 1 527 527 CYS H H 527 8.462 8.462 7.431 1.031 18462 13173 1 18 . 1 1 528 528 GLU N N 528 115.906 115.906 118.467 -2.561 18462 13174 1 18 . 1 1 528 528 GLU HA H 528 4.453 4.453 4.178 0.275 18462 13175 1 18 . 1 1 528 528 GLU C C 528 173.484 173.484 176.514 -3.030 18462 13176 1 18 . 1 1 528 528 GLU CA C 528 57.390 57.390 56.687 0.703 18462 13177 1 18 . 1 1 528 528 GLU CB C 528 29.608 29.608 29.133 0.475 18462 13178 1 18 . 1 1 528 528 GLU H H 528 8.704 8.704 8.581 0.123 18462 13179 1 18 . 1 1 529 529 LYS N N 529 125.068 125.068 121.919 3.149 18462 13180 1 18 . 1 1 529 529 LYS HA H 529 4.041 4.041 4.221 -0.180 18462 13181 1 18 . 1 1 529 529 LYS C C 529 176.881 176.881 174.817 2.064 18462 13182 1 18 . 1 1 529 529 LYS CA C 529 57.585 57.585 56.834 0.751 18462 13183 1 18 . 1 1 529 529 LYS CB C 529 33.212 33.212 33.295 -0.083 18462 13184 1 18 . 1 1 529 529 LYS H H 529 8.696 8.696 7.567 1.129 18462 13185 1 18 . 1 1 530 530 VAL N N 530 119.525 119.525 123.761 -4.236 18462 13186 1 18 . 1 1 530 530 VAL HA H 530 4.541 4.541 4.275 0.266 18462 13187 1 18 . 1 1 530 530 VAL C C 530 175.118 175.118 175.467 -0.349 18462 13188 1 18 . 1 1 530 530 VAL CA C 530 60.633 60.633 60.942 -0.309 18462 13189 1 18 . 1 1 530 530 VAL CB C 530 34.150 34.150 33.987 0.163 18462 13190 1 18 . 1 1 530 530 VAL H H 530 8.054 8.054 8.184 -0.130 18462 13191 1 18 . 1 1 531 531 PHE N N 531 122.568 122.568 125.954 -3.386 18462 13192 1 18 . 1 1 531 531 PHE C C 531 174.185 174.185 174.513 -0.328 18462 13193 1 18 . 1 1 531 531 PHE CA C 531 55.586 55.586 55.172 0.414 18462 13194 1 18 . 1 1 531 531 PHE CB C 531 41.184 41.184 40.599 0.585 18462 13195 1 18 . 1 1 531 531 PHE H H 531 8.167 8.167 8.642 -0.475 18462 13196 1 18 . 1 1 532 532 PRO HA H 532 4.359 4.359 4.195 0.164 18462 13197 1 18 . 1 1 532 532 PRO CA C 532 62.216 62.216 63.022 -0.806 18462 13198 1 18 . 1 1 532 532 PRO CB C 532 29.930 29.930 31.895 -1.965 18462 13199 1 18 . 1 1 533 533 LEU N N 533 122.335 122.335 118.390 3.945 18462 13200 1 18 . 1 1 533 533 LEU HA H 533 4.086 4.086 4.229 -0.143 18462 13201 1 18 . 1 1 533 533 LEU C C 533 175.091 175.091 176.726 -1.635 18462 13202 1 18 . 1 1 533 533 LEU CA C 533 55.006 55.006 53.096 1.910 18462 13203 1 18 . 1 1 533 533 LEU CB C 533 43.529 43.529 44.397 -0.868 18462 13204 1 18 . 1 1 533 533 LEU H H 533 6.587 6.587 7.480 -0.893 18462 13205 1 18 . 1 1 534 534 ALA N N 534 126.722 126.722 125.206 1.516 18462 13206 1 18 . 1 1 534 534 ALA HA H 534 2.993 2.993 3.457 -0.464 18462 13207 1 18 . 1 1 534 534 ALA C C 534 175.439 175.439 178.926 -3.487 18462 13208 1 18 . 1 1 534 534 ALA CA C 534 54.537 54.537 54.748 -0.211 18462 13209 1 18 . 1 1 534 534 ALA CB C 534 18.452 18.452 17.465 0.987 18462 13210 1 18 . 1 1 534 534 ALA H H 534 7.698 7.698 8.130 -0.432 18462 13211 1 18 . 1 1 535 535 GLU N N 535 119.354 119.354 119.050 0.304 18462 13212 1 18 . 1 1 535 535 GLU HA H 535 4.675 4.675 4.055 0.620 18462 13213 1 18 . 1 1 535 535 GLU C C 535 180.126 180.126 178.702 1.424 18462 13214 1 18 . 1 1 535 535 GLU CA C 535 58.526 58.526 59.803 -1.277 18462 13215 1 18 . 1 1 535 535 GLU H H 535 9.535 9.535 8.743 0.792 18462 13216 1 18 . 1 1 536 536 TYR N N 536 114.592 114.592 117.765 -3.173 18462 13217 1 18 . 1 1 536 536 TYR HA H 536 4.368 4.368 4.172 0.196 18462 13218 1 18 . 1 1 536 536 TYR C C 536 178.004 178.004 177.611 0.393 18462 13219 1 18 . 1 1 536 536 TYR CA C 536 56.179 56.179 58.128 -1.949 18462 13220 1 18 . 1 1 536 536 TYR CB C 536 35.556 35.556 37.122 -1.566 18462 13221 1 18 . 1 1 536 536 TYR H H 536 6.552 6.552 8.009 -1.457 18462 13222 1 18 . 1 1 537 537 ARG N N 537 119.820 119.820 120.962 -1.142 18462 13223 1 18 . 1 1 537 537 ARG HA H 537 3.209 3.209 3.867 -0.658 18462 13224 1 18 . 1 1 537 537 ARG C C 537 179.469 179.469 178.209 1.260 18462 13225 1 18 . 1 1 537 537 ARG CA C 537 59.131 59.131 60.199 -1.068 18462 13226 1 18 . 1 1 537 537 ARG CB C 537 27.179 27.179 30.010 -2.831 18462 13227 1 18 . 1 1 537 537 ARG H H 537 7.016 7.016 7.368 -0.352 18462 13228 1 18 . 1 1 538 538 THR N N 538 120.080 120.080 116.883 3.197 18462 13229 1 18 . 1 1 538 538 THR HA H 538 3.939 3.939 4.054 -0.115 18462 13230 1 18 . 1 1 538 538 THR C C 538 177.538 177.538 176.876 0.662 18462 13231 1 18 . 1 1 538 538 THR CA C 538 66.026 66.026 66.473 -0.447 18462 13232 1 18 . 1 1 538 538 THR CB C 538 66.964 66.964 68.677 -1.713 18462 13233 1 18 . 1 1 538 538 THR H H 538 8.410 8.410 8.349 0.061 18462 13234 1 18 . 1 1 539 539 LYS N N 539 117.252 117.252 119.584 -2.332 18462 13235 1 18 . 1 1 539 539 LYS HA H 539 4.054 4.054 4.146 -0.092 18462 13236 1 18 . 1 1 539 539 LYS C C 539 176.139 176.139 178.889 -2.750 18462 13237 1 18 . 1 1 539 539 LYS CA C 539 57.116 57.116 58.466 -1.350 18462 13238 1 18 . 1 1 539 539 LYS CB C 539 31.859 31.859 31.709 0.150 18462 13239 1 18 . 1 1 539 539 LYS H H 539 8.012 8.012 8.280 -0.268 18462 13240 1 18 . 1 1 540 540 HIS N N 540 118.983 118.983 120.179 -1.196 18462 13241 1 18 . 1 1 540 540 HIS HA H 540 4.548 4.548 4.445 0.103 18462 13242 1 18 . 1 1 540 540 HIS C C 540 179.568 179.568 177.624 1.944 18462 13243 1 18 . 1 1 540 540 HIS CA C 540 58.758 58.758 59.389 -0.631 18462 13244 1 18 . 1 1 540 540 HIS CB C 540 28.260 28.260 29.992 -1.732 18462 13245 1 18 . 1 1 540 540 HIS H H 540 7.536 7.536 7.856 -0.320 18462 13246 1 18 . 1 1 541 541 GLU N N 541 122.073 122.073 119.929 2.144 18462 13247 1 18 . 1 1 541 541 GLU HA H 541 4.215 4.215 4.404 -0.189 18462 13248 1 18 . 1 1 541 541 GLU C C 541 177.829 177.829 178.967 -1.138 18462 13249 1 18 . 1 1 541 541 GLU CA C 541 61.181 61.181 59.369 1.812 18462 13250 1 18 . 1 1 541 541 GLU CB C 541 29.712 29.712 29.853 -0.141 18462 13251 1 18 . 1 1 541 541 GLU H H 541 9.540 9.540 8.444 1.096 18462 13252 1 18 . 1 1 542 542 ILE N N 542 121.307 121.307 119.703 1.604 18462 13253 1 18 . 1 1 542 542 ILE HA H 542 4.335 4.335 3.834 0.501 18462 13254 1 18 . 1 1 542 542 ILE C C 542 179.666 179.666 177.817 1.849 18462 13255 1 18 . 1 1 542 542 ILE CA C 542 61.806 61.806 65.268 -3.462 18462 13256 1 18 . 1 1 542 542 ILE CB C 542 36.729 36.729 38.175 -1.446 18462 13257 1 18 . 1 1 542 542 ILE H H 542 8.275 8.275 8.473 -0.198 18462 13258 1 18 . 1 1 543 543 HIS N N 543 118.514 118.514 117.167 1.347 18462 13259 1 18 . 1 1 543 543 HIS HA H 543 4.257 4.257 4.239 0.018 18462 13260 1 18 . 1 1 543 543 HIS C C 543 178.283 178.283 176.729 1.554 18462 13261 1 18 . 1 1 543 543 HIS CA C 543 58.758 58.758 58.593 0.165 18462 13262 1 18 . 1 1 543 543 HIS CB C 543 26.882 26.882 30.069 -3.187 18462 13263 1 18 . 1 1 543 543 HIS H H 543 7.744 7.744 7.479 0.265 18462 13264 1 18 . 1 1 544 544 HIS N N 544 115.805 115.805 116.477 -0.672 18462 13265 1 18 . 1 1 544 544 HIS HA H 544 4.317 4.317 4.379 -0.062 18462 13266 1 18 . 1 1 544 544 HIS C C 544 178.058 178.058 176.842 1.216 18462 13267 1 18 . 1 1 544 544 HIS CA C 544 58.054 58.054 58.664 -0.610 18462 13268 1 18 . 1 1 544 544 HIS CB C 544 36.882 36.882 30.292 6.590 18462 13269 1 18 . 1 1 544 544 HIS H H 544 7.537 7.537 7.480 0.057 18462 13270 1 18 . 1 1 545 545 THR N N 545 109.469 109.469 107.985 1.484 18462 13271 1 18 . 1 1 545 545 THR HA H 545 4.184 4.184 4.029 0.155 18462 13272 1 18 . 1 1 545 545 THR C C 545 177.277 177.277 176.123 1.154 18462 13273 1 18 . 1 1 545 545 THR CA C 545 62.509 62.509 63.188 -0.679 18462 13274 1 18 . 1 1 545 545 THR CB C 545 68.839 68.839 69.852 -1.013 18462 13275 1 18 . 1 1 545 545 THR H H 545 7.991 7.991 7.923 0.068 18462 13276 1 18 . 1 1 546 546 GLY N N 546 113.407 113.407 110.662 2.745 18462 13277 1 18 . 1 1 546 546 GLY C C 546 177.501 177.501 173.794 3.707 18462 13278 1 18 . 1 1 546 546 GLY CA C 546 44.935 44.935 45.281 -0.346 18462 13279 1 18 . 1 1 546 546 GLY H H 546 8.530 8.530 8.018 0.511 18462 13280 1 18 . 1 1 547 547 GLU N N 547 123.901 123.901 120.418 3.483 18462 13281 1 18 . 1 1 547 547 GLU HA H 547 3.913 3.913 4.097 -0.184 18462 13282 1 18 . 1 1 547 547 GLU C C 547 173.687 173.687 176.113 -2.426 18462 13283 1 18 . 1 1 547 547 GLU CA C 547 56.413 56.413 56.869 -0.456 18462 13284 1 18 . 1 1 547 547 GLU CB C 547 29.123 29.123 30.456 -1.333 18462 13285 1 18 . 1 1 547 547 GLU H H 547 7.301 7.301 7.559 -0.258 18462 13286 1 18 . 1 1 548 548 ARG N N 548 128.505 128.505 126.122 2.383 18462 13287 1 18 . 1 1 548 548 ARG HA H 548 4.444 4.444 4.361 0.083 18462 13288 1 18 . 1 1 548 548 ARG C C 548 175.180 175.180 176.434 -1.254 18462 13289 1 18 . 1 1 548 548 ARG CA C 548 55.059 55.059 57.038 -1.979 18462 13290 1 18 . 1 1 548 548 ARG CB C 548 29.227 29.227 30.393 -1.166 18462 13291 1 18 . 1 1 548 548 ARG H H 548 8.752 8.752 8.626 0.126 18462 13292 1 18 . 1 1 549 549 ARG N N 549 121.815 121.815 119.723 2.092 18462 13293 1 18 . 1 1 549 549 ARG HA H 549 4.205 4.205 4.571 -0.366 18462 13294 1 18 . 1 1 549 549 ARG C C 549 175.850 175.850 176.026 -0.176 18462 13295 1 18 . 1 1 549 549 ARG CA C 549 57.350 57.350 56.887 0.463 18462 13296 1 18 . 1 1 549 549 ARG CB C 549 32.980 32.980 33.735 -0.755 18462 13297 1 18 . 1 1 549 549 ARG H H 549 9.440 9.440 8.814 0.626 18462 13298 1 18 . 1 1 550 550 TYR N N 550 116.087 116.087 119.673 -3.586 18462 13299 1 18 . 1 1 550 550 TYR C C 550 176.129 176.129 174.846 1.283 18462 13300 1 18 . 1 1 550 550 TYR CA C 550 58.169 58.169 57.308 0.861 18462 13301 1 18 . 1 1 550 550 TYR CB C 550 38.994 38.994 38.651 0.343 18462 13302 1 18 . 1 1 550 550 TYR H H 550 8.287 8.287 7.877 0.410 18462 13303 1 18 . 1 1 551 551 GLN N N 551 125.096 125.096 124.558 0.538 18462 13304 1 18 . 1 1 551 551 GLN HA H 551 5.275 5.275 5.131 0.144 18462 13305 1 18 . 1 1 551 551 GLN C C 551 175.080 175.080 174.881 0.199 18462 13306 1 18 . 1 1 551 551 GLN CA C 551 53.610 53.610 54.187 -0.577 18462 13307 1 18 . 1 1 551 551 GLN CB C 551 31.152 31.152 32.385 -1.233 18462 13308 1 18 . 1 1 551 551 GLN H H 551 9.656 9.656 9.306 0.350 18462 13309 1 18 . 1 1 552 552 CYS N N 552 128.697 128.697 125.920 2.777 18462 13310 1 18 . 1 1 552 552 CYS HA H 552 4.584 4.584 4.813 -0.229 18462 13311 1 18 . 1 1 552 552 CYS C C 552 175.231 175.231 175.261 -0.030 18462 13312 1 18 . 1 1 552 552 CYS CA C 552 59.461 59.461 59.950 -0.489 18462 13313 1 18 . 1 1 552 552 CYS CB C 552 29.695 29.695 28.346 1.349 18462 13314 1 18 . 1 1 552 552 CYS H H 552 9.427 9.427 9.287 0.140 18462 13315 1 18 . 1 1 553 553 LEU N N 553 130.168 130.168 126.152 4.016 18462 13316 1 18 . 1 1 553 553 LEU HA H 553 4.396 4.396 4.473 -0.077 18462 13317 1 18 . 1 1 553 553 LEU C C 553 177.402 177.402 178.023 -0.621 18462 13318 1 18 . 1 1 553 553 LEU CA C 553 55.710 55.710 56.123 -0.413 18462 13319 1 18 . 1 1 553 553 LEU CB C 553 40.246 40.246 42.123 -1.877 18462 13320 1 18 . 1 1 553 553 LEU H H 553 8.632 8.632 9.088 -0.456 18462 13321 1 18 . 1 1 554 554 ALA N N 554 125.048 125.048 123.220 1.828 18462 13322 1 18 . 1 1 554 554 ALA HA H 554 4.295 4.295 4.116 0.179 18462 13323 1 18 . 1 1 554 554 ALA C C 554 177.657 177.657 178.141 -0.484 18462 13324 1 18 . 1 1 554 554 ALA CA C 554 53.610 53.610 54.317 -0.707 18462 13325 1 18 . 1 1 554 554 ALA CB C 554 16.577 16.577 18.805 -2.228 18462 13326 1 18 . 1 1 554 554 ALA H H 554 8.847 8.847 8.182 0.664 18462 13327 1 18 . 1 1 555 555 CYS N N 555 113.388 113.388 112.477 0.911 18462 13328 1 18 . 1 1 555 555 CYS HA H 555 5.299 5.299 4.986 0.313 18462 13329 1 18 . 1 1 555 555 CYS C C 555 178.854 178.854 175.845 3.009 18462 13330 1 18 . 1 1 555 555 CYS CA C 555 57.820 57.820 57.235 0.585 18462 13331 1 18 . 1 1 555 555 CYS CB C 555 31.665 31.665 29.548 2.117 18462 13332 1 18 . 1 1 555 555 CYS H H 555 8.146 8.146 7.804 0.342 18462 13333 1 18 . 1 1 556 556 GLY N N 556 114.264 114.264 109.840 4.424 18462 13334 1 18 . 1 1 556 556 GLY C C 556 176.084 176.084 174.635 1.449 18462 13335 1 18 . 1 1 556 556 GLY CA C 556 45.639 45.639 45.447 0.192 18462 13336 1 18 . 1 1 556 556 GLY H H 556 8.104 8.104 8.500 -0.396 18462 13337 1 18 . 1 1 557 557 LYS N N 557 123.318 123.318 121.383 1.935 18462 13338 1 18 . 1 1 557 557 LYS HA H 557 4.110 4.110 4.094 0.016 18462 13339 1 18 . 1 1 557 557 LYS C C 557 174.300 174.300 175.641 -1.341 18462 13340 1 18 . 1 1 557 557 LYS CA C 557 57.585 57.585 56.680 0.905 18462 13341 1 18 . 1 1 557 557 LYS CB C 557 33.447 33.447 32.975 0.472 18462 13342 1 18 . 1 1 557 557 LYS H H 557 8.043 8.043 7.578 0.465 18462 13343 1 18 . 1 1 558 558 SER N N 558 115.947 115.947 116.765 -0.818 18462 13344 1 18 . 1 1 558 558 SER HA H 558 5.661 5.661 5.073 0.588 18462 13345 1 18 . 1 1 558 558 SER C C 558 174.321 174.321 173.393 0.928 18462 13346 1 18 . 1 1 558 558 SER CA C 558 56.179 56.179 57.235 -1.056 18462 13347 1 18 . 1 1 558 558 SER CB C 558 65.088 65.088 65.204 -0.117 18462 13348 1 18 . 1 1 558 558 SER H H 558 7.864 7.864 8.175 -0.311 18462 13349 1 18 . 1 1 559 559 PHE N N 559 117.815 117.815 120.440 -2.625 18462 13350 1 18 . 1 1 559 559 PHE HA H 559 4.781 4.781 4.796 -0.015 18462 13351 1 18 . 1 1 559 559 PHE C C 559 173.632 173.632 175.726 -2.094 18462 13352 1 18 . 1 1 559 559 PHE CA C 559 56.687 56.687 57.046 -0.359 18462 13353 1 18 . 1 1 559 559 PHE CB C 559 44.232 44.232 42.100 2.132 18462 13354 1 18 . 1 1 559 559 PHE H H 559 9.488 9.488 8.970 0.518 18462 13355 1 18 . 1 1 560 560 ILE N N 560 118.092 118.092 119.877 -1.785 18462 13356 1 18 . 1 1 560 560 ILE HA H 560 4.470 4.470 4.161 0.309 18462 13357 1 18 . 1 1 560 560 ILE C C 560 175.986 175.986 174.665 1.321 18462 13358 1 18 . 1 1 560 560 ILE CA C 560 62.040 62.040 63.082 -1.042 18462 13359 1 18 . 1 1 560 560 ILE CB C 560 39.308 39.308 38.480 0.828 18462 13360 1 18 . 1 1 560 560 ILE H H 560 9.306 9.306 8.623 0.683 18462 13361 1 18 . 1 1 561 561 ASN N N 561 114.751 114.751 112.388 2.363 18462 13362 1 18 . 1 1 561 561 ASN HA H 561 4.683 4.683 5.033 -0.350 18462 13363 1 18 . 1 1 561 561 ASN C C 561 175.350 175.350 174.448 0.902 18462 13364 1 18 . 1 1 561 561 ASN CA C 561 50.797 50.797 51.679 -0.882 18462 13365 1 18 . 1 1 561 561 ASN CB C 561 39.777 39.777 39.898 -0.121 18462 13366 1 18 . 1 1 561 561 ASN H H 561 7.387 7.387 7.688 -0.301 18462 13367 1 18 . 1 1 562 562 TYR N N 562 118.833 118.833 120.561 -1.728 18462 13368 1 18 . 1 1 562 562 TYR C C 562 172.730 172.730 176.997 -4.267 18462 13369 1 18 . 1 1 562 562 TYR CA C 562 59.907 59.907 62.001 -2.094 18462 13370 1 18 . 1 1 562 562 TYR CB C 562 38.480 38.480 38.037 0.443 18462 13371 1 18 . 1 1 562 562 TYR H H 562 8.243 8.243 8.545 -0.302 18462 13372 1 18 . 1 1 563 563 GLN N N 563 119.525 119.525 118.521 1.004 18462 13373 1 18 . 1 1 563 563 GLN HA H 563 3.720 3.720 3.956 -0.236 18462 13374 1 18 . 1 1 563 563 GLN C C 563 176.326 176.326 178.334 -2.008 18462 13375 1 18 . 1 1 563 563 GLN CA C 563 61.102 61.102 59.729 1.373 18462 13376 1 18 . 1 1 563 563 GLN CB C 563 25.450 25.450 27.693 -2.243 18462 13377 1 18 . 1 1 563 563 GLN H H 563 8.524 8.524 8.408 0.116 18462 13378 1 18 . 1 1 564 564 PHE N N 564 118.625 118.625 119.899 -1.274 18462 13379 1 18 . 1 1 564 564 PHE HA H 564 4.427 4.427 4.148 0.279 18462 13380 1 18 . 1 1 564 564 PHE C C 564 179.429 179.429 177.645 1.784 18462 13381 1 18 . 1 1 564 564 PHE CA C 564 59.461 59.461 60.761 -1.300 18462 13382 1 18 . 1 1 564 564 PHE CB C 564 38.488 38.488 38.571 -0.083 18462 13383 1 18 . 1 1 564 564 PHE H H 564 8.904 8.904 9.031 -0.127 18462 13384 1 18 . 1 1 565 565 MET N N 565 120.996 120.996 119.864 1.132 18462 13385 1 18 . 1 1 565 565 MET HA H 565 3.720 3.720 2.951 0.769 18462 13386 1 18 . 1 1 565 565 MET C C 565 178.642 178.642 177.654 0.988 18462 13387 1 18 . 1 1 565 565 MET CA C 565 58.037 58.037 57.504 0.533 18462 13388 1 18 . 1 1 565 565 MET H H 565 7.153 7.153 7.637 -0.484 18462 13389 1 18 . 1 1 566 566 SER N N 566 115.706 115.706 115.023 0.683 18462 13390 1 18 . 1 1 566 566 SER HA H 566 3.720 3.720 3.804 -0.084 18462 13391 1 18 . 1 1 566 566 SER C C 566 176.710 176.710 176.431 0.279 18462 13392 1 18 . 1 1 566 566 SER CA C 566 60.633 60.633 61.537 -0.904 18462 13393 1 18 . 1 1 566 566 SER CB C 566 62.040 62.040 62.745 -0.705 18462 13394 1 18 . 1 1 566 566 SER H H 566 8.918 8.918 8.301 0.617 18462 13395 1 18 . 1 1 567 567 SER N N 567 114.335 114.335 117.042 -2.707 18462 13396 1 18 . 1 1 567 567 SER HA H 567 4.212 4.212 4.020 0.192 18462 13397 1 18 . 1 1 567 567 SER C C 567 176.849 176.849 176.446 0.403 18462 13398 1 18 . 1 1 567 567 SER CA C 567 60.868 60.868 61.367 -0.499 18462 13399 1 18 . 1 1 567 567 SER CB C 567 61.806 61.806 63.150 -1.344 18462 13400 1 18 . 1 1 567 567 SER H H 567 7.933 7.933 7.856 0.077 18462 13401 1 18 . 1 1 568 568 HIS N N 568 120.659 120.659 121.624 -0.965 18462 13402 1 18 . 1 1 568 568 HIS HA H 568 4.327 4.327 4.234 0.093 18462 13403 1 18 . 1 1 568 568 HIS C C 568 177.652 177.652 177.340 0.312 18462 13404 1 18 . 1 1 568 568 HIS CA C 568 58.992 58.992 59.350 -0.358 18462 13405 1 18 . 1 1 568 568 HIS CB C 568 27.234 27.234 29.326 -2.092 18462 13406 1 18 . 1 1 568 568 HIS H H 568 7.594 7.594 8.083 -0.489 18462 13407 1 18 . 1 1 569 569 ILE N N 569 120.858 120.858 119.341 1.517 18462 13408 1 18 . 1 1 569 569 ILE HA H 569 3.562 3.562 3.484 0.078 18462 13409 1 18 . 1 1 569 569 ILE C C 569 175.925 175.925 178.308 -2.383 18462 13410 1 18 . 1 1 569 569 ILE CA C 569 66.729 66.729 64.991 1.738 18462 13411 1 18 . 1 1 569 569 ILE CB C 569 37.198 37.198 37.652 -0.454 18462 13412 1 18 . 1 1 569 569 ILE H H 569 8.640 8.640 8.167 0.473 18462 13413 1 18 . 1 1 570 570 LYS N N 570 118.876 118.876 120.283 -1.407 18462 13414 1 18 . 1 1 570 570 LYS HA H 570 4.329 4.329 4.163 0.166 18462 13415 1 18 . 1 1 570 570 LYS C C 570 178.927 178.927 179.016 -0.089 18462 13416 1 18 . 1 1 570 570 LYS CA C 570 59.461 59.461 59.462 -0.001 18462 13417 1 18 . 1 1 570 570 LYS CB C 570 32.743 32.743 32.387 0.356 18462 13418 1 18 . 1 1 570 570 LYS H H 570 8.463 8.463 8.012 0.451 18462 13419 1 18 . 1 1 571 571 SER N N 571 112.612 112.612 113.479 -0.867 18462 13420 1 18 . 1 1 571 571 SER HA H 571 4.323 4.323 4.197 0.126 18462 13421 1 18 . 1 1 571 571 SER C C 571 179.258 179.258 176.141 3.117 18462 13422 1 18 . 1 1 571 571 SER CA C 571 59.930 59.930 60.615 -0.686 18462 13423 1 18 . 1 1 571 571 SER CB C 571 62.978 62.978 63.223 -0.245 18462 13424 1 18 . 1 1 571 571 SER H H 571 7.997 7.997 7.977 0.020 18462 13425 1 18 . 1 1 572 572 VAL N N 572 120.208 120.208 119.641 0.567 18462 13426 1 18 . 1 1 572 572 VAL HA H 572 3.789 3.789 3.843 -0.054 18462 13427 1 18 . 1 1 572 572 VAL C C 572 176.245 176.245 176.957 -0.712 18462 13428 1 18 . 1 1 572 572 VAL CA C 572 63.916 63.916 64.522 -0.606 18462 13429 1 18 . 1 1 572 572 VAL CB C 572 31.337 31.337 32.015 -0.678 18462 13430 1 18 . 1 1 572 572 VAL H H 572 8.615 8.615 8.069 0.546 18462 13431 1 18 . 1 1 573 573 HIS N N 573 113.735 113.735 115.947 -2.212 18462 13432 1 18 . 1 1 573 573 HIS HA H 573 5.102 5.102 4.673 0.429 18462 13433 1 18 . 1 1 573 573 HIS C C 573 177.042 177.042 175.368 1.674 18462 13434 1 18 . 1 1 573 573 HIS CA C 573 53.376 53.376 55.131 -1.755 18462 13435 1 18 . 1 1 573 573 HIS CB C 573 28.210 28.210 30.223 -2.013 18462 13436 1 18 . 1 1 573 573 HIS H H 573 7.067 7.067 7.354 -0.287 18462 13437 1 18 . 1 1 574 574 SER N N 574 112.537 112.537 112.858 -0.321 18462 13438 1 18 . 1 1 574 574 SER HA H 574 4.421 4.421 4.222 0.199 18462 13439 1 18 . 1 1 574 574 SER C C 574 174.525 174.525 173.520 1.005 18462 13440 1 18 . 1 1 574 574 SER CA C 574 58.054 58.054 59.512 -1.458 18462 13441 1 18 . 1 1 574 574 SER CB C 574 61.102 61.102 62.054 -0.952 18462 13442 1 18 . 1 1 574 574 SER H H 574 7.325 7.325 8.204 -0.879 18462 13443 1 18 . 1 1 575 575 GLN N N 575 117.032 117.032 117.923 -0.891 18462 13444 1 18 . 1 1 575 575 GLN HA H 575 4.659 4.659 4.608 0.051 18462 13445 1 18 . 1 1 575 575 GLN C C 575 173.993 173.993 173.982 0.011 18462 13446 1 18 . 1 1 575 575 GLN CA C 575 53.376 53.376 54.309 -0.933 18462 13447 1 18 . 1 1 575 575 GLN CB C 575 32.743 32.743 33.020 -0.277 18462 13448 1 18 . 1 1 575 575 GLN H H 575 7.480 7.480 7.529 -0.049 18462 13449 1 18 . 1 1 576 576 ASP N N 576 118.953 118.953 120.499 -1.546 18462 13450 1 18 . 1 1 576 576 ASP HA H 576 4.992 4.992 4.953 0.039 18462 13451 1 18 . 1 1 576 576 ASP C C 576 173.387 173.387 175.892 -2.505 18462 13452 1 18 . 1 1 576 576 ASP CA C 576 50.094 50.094 51.164 -1.070 18462 13453 1 18 . 1 1 576 576 ASP CB C 576 41.301 41.301 41.141 0.160 18462 13454 1 18 . 1 1 576 576 ASP H H 576 8.173 8.173 8.635 -0.462 18462 13455 1 18 . 1 1 577 577 PRO HA H 577 4.629 4.629 4.597 0.032 18462 13456 1 18 . 1 1 577 577 PRO CA C 577 63.212 63.212 64.079 -0.867 18462 13457 1 18 . 1 1 577 577 PRO CB C 577 31.806 31.806 32.143 -0.337 18462 13458 1 18 . 1 1 578 578 SER N N 578 114.986 114.986 112.977 2.009 18462 13459 1 18 . 1 1 578 578 SER HA H 578 4.820 4.820 4.450 0.370 18462 13460 1 18 . 1 1 578 578 SER C C 578 176.301 176.301 175.504 0.797 18462 13461 1 18 . 1 1 578 578 SER CA C 578 58.054 58.054 58.990 -0.936 18462 13462 1 18 . 1 1 578 578 SER CB C 578 63.447 63.447 62.724 0.723 18462 13463 1 18 . 1 1 578 578 SER H H 578 8.387 8.387 8.132 0.255 18462 13464 1 18 . 1 1 579 579 GLY N N 579 111.279 111.279 111.232 0.047 18462 13465 1 18 . 1 1 579 579 GLY C C 579 175.262 175.262 174.145 1.117 18462 13466 1 18 . 1 1 579 579 GLY CA C 579 44.935 44.935 45.019 -0.084 18462 13467 1 18 . 1 1 579 579 GLY H H 579 8.554 8.554 7.571 0.983 18462 13468 1 18 . 1 1 580 580 ASP N N 580 121.402 121.402 120.158 1.244 18462 13469 1 18 . 1 1 580 580 ASP HA H 580 4.700 4.700 4.776 -0.076 18462 13470 1 18 . 1 1 580 580 ASP C C 580 174.329 174.329 176.600 -2.271 18462 13471 1 18 . 1 1 580 580 ASP CA C 580 53.845 53.845 53.560 0.285 18462 13472 1 18 . 1 1 580 580 ASP CB C 580 40.012 40.012 40.512 -0.500 18462 13473 1 18 . 1 1 580 580 ASP H H 580 8.386 8.386 8.447 -0.061 18462 13474 1 18 . 1 1 581 581 SER N N 581 115.668 115.668 115.909 -0.241 18462 13475 1 18 . 1 1 581 581 SER HA H 581 4.421 4.421 4.412 0.009 18462 13476 1 18 . 1 1 581 581 SER C C 581 176.108 176.108 175.148 0.960 18462 13477 1 18 . 1 1 581 581 SER CA C 581 58.054 58.054 58.803 -0.749 18462 13478 1 18 . 1 1 581 581 SER CB C 581 63.212 63.212 63.905 -0.693 18462 13479 1 18 . 1 1 581 581 SER H H 581 8.015 8.015 8.288 -0.273 18462 13480 1 18 . 1 1 582 582 LYS N N 582 120.544 120.544 119.549 0.995 18462 13481 1 18 . 1 1 582 582 LYS HA H 582 4.329 4.329 3.965 0.364 18462 13482 1 18 . 1 1 582 582 LYS C C 582 174.302 174.302 175.299 -0.997 18462 13483 1 18 . 1 1 582 582 LYS CA C 582 55.944 55.944 56.483 -0.539 18462 13484 1 18 . 1 1 582 582 LYS CB C 582 30.868 30.868 29.991 0.877 18462 13485 1 18 . 1 1 582 582 LYS H H 582 8.453 8.453 8.405 0.048 18462 13486 1 18 . 1 1 583 583 LEU N N 583 119.514 119.514 118.805 0.709 18462 13487 1 18 . 1 1 583 583 LEU HA H 583 4.458 4.458 4.480 -0.022 18462 13488 1 18 . 1 1 583 583 LEU C C 583 176.924 176.924 175.746 1.178 18462 13489 1 18 . 1 1 583 583 LEU CA C 583 54.303 54.303 54.468 -0.165 18462 13490 1 18 . 1 1 583 583 LEU CB C 583 43.060 43.060 42.573 0.487 18462 13491 1 18 . 1 1 583 583 LEU H H 583 8.391 8.391 8.481 -0.090 18462 13492 1 18 . 1 1 584 584 TYR N N 584 115.291 115.291 114.442 0.849 18462 13493 1 18 . 1 1 584 584 TYR HA H 584 5.714 5.714 5.592 0.122 18462 13494 1 18 . 1 1 584 584 TYR C C 584 175.675 175.675 173.745 1.930 18462 13495 1 18 . 1 1 584 584 TYR CA C 584 54.303 54.303 54.993 -0.690 18462 13496 1 18 . 1 1 584 584 TYR CB C 584 42.420 42.420 41.910 0.510 18462 13497 1 18 . 1 1 584 584 TYR H H 584 7.625 7.625 7.077 0.548 18462 13498 1 18 . 1 1 585 585 ARG N N 585 120.321 120.321 120.559 -0.238 18462 13499 1 18 . 1 1 585 585 ARG HA H 585 4.407 4.407 4.611 -0.204 18462 13500 1 18 . 1 1 585 585 ARG C C 585 172.342 172.342 173.987 -1.645 18462 13501 1 18 . 1 1 585 585 ARG CA C 585 53.376 53.376 54.708 -1.332 18462 13502 1 18 . 1 1 585 585 ARG CB C 585 33.916 33.916 34.712 -0.796 18462 13503 1 18 . 1 1 585 585 ARG H H 585 9.141 9.141 8.936 0.205 18462 13504 1 18 . 1 1 586 586 LEU N N 586 129.013 129.013 127.568 1.445 18462 13505 1 18 . 1 1 586 586 LEU HA H 586 4.768 4.768 4.826 -0.058 18462 13506 1 18 . 1 1 586 586 LEU C C 586 173.449 173.449 175.462 -2.013 18462 13507 1 18 . 1 1 586 586 LEU CA C 586 52.438 52.438 53.879 -1.441 18462 13508 1 18 . 1 1 586 586 LEU CB C 586 41.653 41.653 43.368 -1.715 18462 13509 1 18 . 1 1 586 586 LEU H H 586 8.581 8.581 8.666 -0.085 18462 13510 1 18 . 1 1 587 587 HIS N N 587 127.447 127.447 126.106 1.341 18462 13511 1 18 . 1 1 587 587 HIS HA H 587 4.650 4.650 5.005 -0.355 18462 13512 1 18 . 1 1 587 587 HIS C C 587 175.512 175.512 173.559 1.953 18462 13513 1 18 . 1 1 587 587 HIS CA C 587 55.544 55.544 53.844 1.700 18462 13514 1 18 . 1 1 587 587 HIS CB C 587 29.930 29.930 30.904 -0.974 18462 13515 1 18 . 1 1 587 587 HIS H H 587 9.132 9.132 8.843 0.289 18462 13516 1 18 . 1 1 588 588 PRO HA H 588 4.441 4.441 4.393 0.048 18462 13517 1 18 . 1 1 588 588 PRO CA C 588 62.509 62.509 63.516 -1.007 18462 13518 1 18 . 1 1 588 588 PRO CB C 588 31.688 31.688 32.281 -0.593 18462 13519 1 18 . 1 1 589 589 CYS N N 589 124.057 124.057 122.633 1.424 18462 13520 1 18 . 1 1 589 589 CYS HA H 589 4.275 4.275 4.579 -0.304 18462 13521 1 18 . 1 1 589 589 CYS C C 589 174.401 174.401 175.248 -0.847 18462 13522 1 18 . 1 1 589 589 CYS CA C 589 58.289 58.289 58.808 -0.519 18462 13523 1 18 . 1 1 589 589 CYS CB C 589 26.413 26.413 28.061 -1.648 18462 13524 1 18 . 1 1 589 589 CYS H H 589 9.475 9.475 8.630 0.845 18462 13525 1 18 . 1 1 590 590 ARG N N 590 130.942 130.942 125.354 5.588 18462 13526 1 18 . 1 1 590 590 ARG HA H 590 4.689 4.689 4.651 0.038 18462 13527 1 18 . 1 1 590 590 ARG C C 590 175.091 175.091 176.864 -1.773 18462 13528 1 18 . 1 1 590 590 ARG CA C 590 55.241 55.241 56.095 -0.854 18462 13529 1 18 . 1 1 590 590 ARG CB C 590 30.633 30.633 31.788 -1.155 18462 13530 1 18 . 1 1 590 590 ARG H H 590 7.227 7.227 9.331 -2.104 18462 13531 1 18 . 1 1 591 591 SER N N 591 117.243 117.243 116.877 0.366 18462 13532 1 18 . 1 1 591 591 SER HA H 591 4.342 4.342 4.299 0.043 18462 13533 1 18 . 1 1 591 591 SER C C 591 178.367 178.367 174.714 3.653 18462 13534 1 18 . 1 1 591 591 SER CA C 591 59.695 59.695 60.945 -1.250 18462 13535 1 18 . 1 1 591 591 SER CB C 591 61.923 61.923 63.977 -2.054 18462 13536 1 18 . 1 1 591 591 SER H H 591 9.571 9.571 8.728 0.843 18462 13537 1 18 . 1 1 592 592 LEU N N 592 121.308 121.308 116.614 4.694 18462 13538 1 18 . 1 1 592 592 LEU HA H 592 4.778 4.778 4.876 -0.098 18462 13539 1 18 . 1 1 592 592 LEU C C 592 173.260 173.260 175.463 -2.203 18462 13540 1 18 . 1 1 592 592 LEU CA C 592 52.846 52.846 53.359 -0.513 18462 13541 1 18 . 1 1 592 592 LEU CB C 592 45.404 45.404 43.651 1.754 18462 13542 1 18 . 1 1 592 592 LEU H H 592 7.369 7.369 7.384 -0.015 18462 13543 1 18 . 1 1 593 593 GLN N N 593 122.109 122.109 119.505 2.604 18462 13544 1 18 . 1 1 593 593 GLN HA H 593 4.564 4.564 4.521 0.043 18462 13545 1 18 . 1 1 593 593 GLN C C 593 175.827 175.827 175.327 0.500 18462 13546 1 18 . 1 1 593 593 GLN CA C 593 54.303 54.303 55.373 -1.070 18462 13547 1 18 . 1 1 593 593 GLN CB C 593 26.882 26.882 27.362 -0.480 18462 13548 1 18 . 1 1 593 593 GLN H H 593 8.599 8.599 8.519 0.080 18462 13549 1 18 . 1 1 594 594 ILE N N 594 118.085 118.085 121.381 -3.296 18462 13550 1 18 . 1 1 594 594 ILE HA H 594 4.755 4.755 4.583 0.172 18462 13551 1 18 . 1 1 594 594 ILE C C 594 175.093 175.093 175.099 -0.006 18462 13552 1 18 . 1 1 594 594 ILE CA C 594 58.831 58.831 59.032 -0.201 18462 13553 1 18 . 1 1 594 594 ILE CB C 594 42.591 42.591 40.190 2.401 18462 13554 1 18 . 1 1 594 594 ILE H H 594 7.635 7.635 7.710 -0.075 18462 13555 1 18 . 1 1 595 595 ARG N N 595 123.800 123.800 120.917 2.883 18462 13556 1 18 . 1 1 595 595 ARG HA H 595 4.038 4.038 4.266 -0.228 18462 13557 1 18 . 1 1 595 595 ARG C C 595 175.440 175.440 175.755 -0.315 18462 13558 1 18 . 1 1 595 595 ARG CA C 595 56.386 56.386 55.792 0.594 18462 13559 1 18 . 1 1 595 595 ARG CB C 595 30.516 30.516 30.521 -0.005 18462 13560 1 18 . 1 1 595 595 ARG H H 595 9.075 9.075 8.195 0.880 18462 13561 1 18 . 1 1 596 596 GLN N N 596 124.290 124.290 122.498 1.792 18462 13562 1 18 . 1 1 596 596 GLN HA H 596 4.420 4.420 4.352 0.068 18462 13563 1 18 . 1 1 596 596 GLN C C 596 174.630 174.630 174.836 -0.206 18462 13564 1 18 . 1 1 596 596 GLN CA C 596 52.907 52.907 54.281 -1.374 18462 13565 1 18 . 1 1 596 596 GLN CB C 596 30.164 30.164 28.748 1.416 18462 13566 1 18 . 1 1 596 596 GLN H H 596 8.495 8.495 8.385 0.110 18462 13567 1 18 . 1 1 597 597 TYR N N 597 121.829 121.829 121.984 -0.155 18462 13568 1 18 . 1 1 597 597 TYR HA H 597 4.767 4.767 3.986 0.781 18462 13569 1 18 . 1 1 597 597 TYR C C 597 175.453 175.453 176.684 -1.231 18462 13570 1 18 . 1 1 597 597 TYR CA C 597 57.467 57.467 58.078 -0.611 18462 13571 1 18 . 1 1 597 597 TYR CB C 597 38.839 38.839 38.066 0.773 18462 13572 1 18 . 1 1 597 597 TYR H H 597 7.966 7.966 8.126 -0.160 18462 13573 1 18 . 1 1 598 598 ALA N N 598 129.272 129.272 126.333 2.939 18462 13574 1 18 . 1 1 598 598 ALA HA H 598 4.191 4.191 4.037 0.154 18462 13575 1 18 . 1 1 598 598 ALA C C 598 177.425 177.425 177.773 -0.348 18462 13576 1 18 . 1 1 598 598 ALA CA C 598 54.040 54.040 54.305 -0.265 18462 13577 1 18 . 1 1 598 598 ALA CB C 598 17.749 17.749 18.273 -0.524 18462 13578 1 18 . 1 1 598 598 ALA H H 598 9.540 9.540 8.814 0.726 18462 13579 1 18 . 1 1 599 599 TYR N N 599 115.845 115.845 111.771 4.074 18462 13580 1 18 . 1 1 599 599 TYR HA H 599 4.560 4.560 4.428 0.132 18462 13581 1 18 . 1 1 599 599 TYR C C 599 173.276 173.276 176.149 -2.873 18462 13582 1 18 . 1 1 599 599 TYR CA C 599 58.172 58.172 57.958 0.214 18462 13583 1 18 . 1 1 599 599 TYR CB C 599 36.432 36.432 37.386 -0.954 18462 13584 1 18 . 1 1 599 599 TYR H H 599 8.496 8.496 7.612 0.884 18462 13585 1 18 . 1 1 600 600 LEU N N 600 120.764 120.764 117.328 3.436 18462 13586 1 18 . 1 1 600 600 LEU HA H 600 4.260 4.260 4.566 -0.306 18462 13587 1 18 . 1 1 600 600 LEU C C 600 176.164 176.164 178.219 -2.055 18462 13588 1 18 . 1 1 600 600 LEU CA C 600 54.303 54.303 54.978 -0.675 18462 13589 1 18 . 1 1 600 600 LEU CB C 600 41.419 41.419 41.752 -0.334 18462 13590 1 18 . 1 1 600 600 LEU H H 600 7.299 7.299 7.710 -0.411 18462 13591 1 18 . 1 1 601 601 SER N N 601 114.419 114.419 113.427 0.992 18462 13592 1 18 . 1 1 601 601 SER HA H 601 4.418 4.418 4.400 0.018 18462 13593 1 18 . 1 1 601 601 SER C C 601 177.754 177.754 174.357 3.397 18462 13594 1 18 . 1 1 601 601 SER CA C 601 58.054 58.054 60.055 -2.001 18462 13595 1 18 . 1 1 601 601 SER CB C 601 63.212 63.212 63.858 -0.646 18462 13596 1 18 . 1 1 601 601 SER H H 601 7.896 7.896 7.547 0.349 18462 13597 1 18 . 1 1 602 602 ASP N N 602 122.293 122.293 119.490 2.803 18462 13598 1 18 . 1 1 602 602 ASP HA H 602 4.651 4.651 4.860 -0.209 18462 13599 1 18 . 1 1 602 602 ASP C C 602 174.087 174.087 174.605 -0.518 18462 13600 1 18 . 1 1 602 602 ASP CA C 602 53.845 53.845 53.387 0.458 18462 13601 1 18 . 1 1 602 602 ASP CB C 602 40.481 40.481 43.702 -3.220 18462 13602 1 18 . 1 1 602 602 ASP H H 602 8.257 8.257 7.581 0.676 18462 13603 1 18 . 1 1 603 603 ARG N N 603 121.398 121.398 121.904 -0.506 18462 13604 1 18 . 1 1 603 603 ARG HA H 603 4.454 4.454 4.642 -0.188 18462 13605 1 18 . 1 1 603 603 ARG C C 603 176.111 176.111 176.303 -0.192 18462 13606 1 18 . 1 1 603 603 ARG CA C 603 55.241 55.241 55.566 -0.325 18462 13607 1 18 . 1 1 603 603 ARG CB C 603 30.164 30.164 32.275 -2.111 18462 13608 1 18 . 1 1 603 603 ARG H H 603 8.234 8.234 8.644 -0.410 18462 13609 1 19 . 1 1 473 473 ASN HA H 473 4.815 4.815 4.751 0.064 18462 13610 1 19 . 1 1 473 473 ASN CA C 473 52.204 52.204 52.946 -0.742 18462 13611 1 19 . 1 1 473 473 ASN CB C 473 38.371 38.371 39.134 -0.763 18462 13612 1 19 . 1 1 474 474 LYS N N 474 122.150 122.150 122.679 -0.529 18462 13613 1 19 . 1 1 474 474 LYS HA H 474 4.375 4.375 4.311 0.064 18462 13614 1 19 . 1 1 474 474 LYS C C 474 174.965 174.965 175.888 -0.923 18462 13615 1 19 . 1 1 474 474 LYS CA C 474 55.944 55.944 56.365 -0.421 18462 13616 1 19 . 1 1 474 474 LYS CB C 474 32.405 32.405 31.886 0.519 18462 13617 1 19 . 1 1 474 474 LYS H H 474 8.586 8.586 8.570 0.016 18462 13618 1 19 . 1 1 475 475 ARG N N 475 122.278 122.278 123.662 -1.384 18462 13619 1 19 . 1 1 475 475 ARG HA H 475 4.374 4.374 4.576 -0.202 18462 13620 1 19 . 1 1 475 475 ARG C C 475 176.695 176.695 174.845 1.850 18462 13621 1 19 . 1 1 475 475 ARG CA C 475 55.944 55.944 56.334 -0.390 18462 13622 1 19 . 1 1 475 475 ARG CB C 475 30.164 30.164 32.004 -1.840 18462 13623 1 19 . 1 1 475 475 ARG H H 475 8.662 8.662 8.186 0.476 18462 13624 1 19 . 1 1 476 476 MET N N 476 122.046 122.046 124.436 -2.390 18462 13625 1 19 . 1 1 476 476 MET HA H 476 4.496 4.496 4.568 -0.072 18462 13626 1 19 . 1 1 476 476 MET C C 476 176.359 176.359 175.553 0.806 18462 13627 1 19 . 1 1 476 476 MET CA C 476 54.537 54.537 55.434 -0.898 18462 13628 1 19 . 1 1 476 476 MET CB C 476 32.509 32.509 34.296 -1.787 18462 13629 1 19 . 1 1 476 476 MET H H 476 8.490 8.490 8.678 -0.188 18462 13630 1 19 . 1 1 477 477 LYS N N 477 123.768 123.768 124.810 -1.042 18462 13631 1 19 . 1 1 477 477 LYS HA H 477 4.384 4.384 4.451 -0.067 18462 13632 1 19 . 1 1 477 477 LYS C C 477 176.015 176.015 175.648 0.367 18462 13633 1 19 . 1 1 477 477 LYS CA C 477 55.834 55.834 55.457 0.377 18462 13634 1 19 . 1 1 477 477 LYS CB C 477 32.107 32.107 30.617 1.490 18462 13635 1 19 . 1 1 477 477 LYS H H 477 8.472 8.472 8.544 -0.072 18462 13636 1 19 . 1 1 478 478 VAL N N 478 122.460 122.460 116.832 5.628 18462 13637 1 19 . 1 1 478 478 VAL HA H 478 4.054 4.054 4.295 -0.241 18462 13638 1 19 . 1 1 478 478 VAL C C 478 176.320 176.320 174.474 1.846 18462 13639 1 19 . 1 1 478 478 VAL CA C 478 61.337 61.337 60.112 1.225 18462 13640 1 19 . 1 1 478 478 VAL CB C 478 32.275 32.275 33.334 -1.059 18462 13641 1 19 . 1 1 478 478 VAL H H 478 8.230 8.230 7.409 0.821 18462 13642 1 19 . 1 1 479 479 LYS N N 479 126.119 126.119 121.292 4.827 18462 13643 1 19 . 1 1 479 479 LYS HA H 479 4.365 4.365 4.325 0.040 18462 13644 1 19 . 1 1 479 479 LYS C C 479 175.605 175.605 175.773 -0.168 18462 13645 1 19 . 1 1 479 479 LYS CA C 479 55.006 55.006 55.346 -0.340 18462 13646 1 19 . 1 1 479 479 LYS CB C 479 32.098 32.098 33.007 -0.909 18462 13647 1 19 . 1 1 479 479 LYS H H 479 8.453 8.453 8.150 0.303 18462 13648 1 19 . 1 1 480 480 HIS N N 480 121.065 121.065 118.816 2.249 18462 13649 1 19 . 1 1 480 480 HIS HA H 480 4.713 4.713 4.787 -0.074 18462 13650 1 19 . 1 1 480 480 HIS C C 480 175.937 175.937 174.857 1.080 18462 13651 1 19 . 1 1 480 480 HIS CA C 480 54.537 54.537 55.455 -0.918 18462 13652 1 19 . 1 1 480 480 HIS CB C 480 30.047 30.047 32.760 -2.712 18462 13653 1 19 . 1 1 480 480 HIS H H 480 8.559 8.559 8.502 0.057 18462 13654 1 19 . 1 1 481 481 ASP HA H 481 4.392 4.392 4.537 -0.145 18462 13655 1 19 . 1 1 481 481 ASP C C 481 174.413 174.413 176.136 -1.723 18462 13656 1 19 . 1 1 481 481 ASP CA C 481 52.907 52.907 53.746 -0.839 18462 13657 1 19 . 1 1 481 481 ASP CB C 481 39.543 39.543 40.706 -1.163 18462 13658 1 19 . 1 1 482 482 ASP N N 482 118.362 118.362 117.888 0.474 18462 13659 1 19 . 1 1 482 482 ASP HA H 482 4.710 4.710 4.292 0.418 18462 13660 1 19 . 1 1 482 482 ASP C C 482 175.104 175.104 175.084 0.020 18462 13661 1 19 . 1 1 482 482 ASP CA C 482 53.376 53.376 54.136 -0.760 18462 13662 1 19 . 1 1 482 482 ASP CB C 482 39.308 39.308 39.219 0.089 18462 13663 1 19 . 1 1 482 482 ASP H H 482 8.216 8.216 8.489 -0.273 18462 13664 1 19 . 1 1 483 483 HIS N N 483 113.578 113.578 112.461 1.117 18462 13665 1 19 . 1 1 483 483 HIS HA H 483 5.886 5.886 5.393 0.493 18462 13666 1 19 . 1 1 483 483 HIS C C 483 175.274 175.274 172.880 2.394 18462 13667 1 19 . 1 1 483 483 HIS CA C 483 55.241 55.241 55.101 0.140 18462 13668 1 19 . 1 1 483 483 HIS CB C 483 32.040 32.040 31.756 0.284 18462 13669 1 19 . 1 1 483 483 HIS H H 483 7.692 7.692 7.011 0.681 18462 13670 1 19 . 1 1 484 484 TYR N N 484 116.271 116.271 114.429 1.842 18462 13671 1 19 . 1 1 484 484 TYR HA H 484 5.003 5.003 4.915 0.087 18462 13672 1 19 . 1 1 484 484 TYR C C 484 180.038 180.038 173.691 6.347 18462 13673 1 19 . 1 1 484 484 TYR CA C 484 55.241 55.241 56.301 -1.060 18462 13674 1 19 . 1 1 484 484 TYR CB C 484 39.777 39.777 40.354 -0.577 18462 13675 1 19 . 1 1 484 484 TYR H H 484 8.493 8.493 8.807 -0.314 18462 13676 1 19 . 1 1 485 485 GLU N N 485 120.840 120.840 121.846 -1.006 18462 13677 1 19 . 1 1 485 485 GLU HA H 485 5.301 5.301 5.308 -0.007 18462 13678 1 19 . 1 1 485 485 GLU C C 485 174.101 174.101 175.896 -1.795 18462 13679 1 19 . 1 1 485 485 GLU CA C 485 54.772 54.772 55.775 -1.003 18462 13680 1 19 . 1 1 485 485 GLU CB C 485 31.337 31.337 31.201 0.136 18462 13681 1 19 . 1 1 485 485 GLU H H 485 8.873 8.873 8.784 0.089 18462 13682 1 19 . 1 1 486 486 LEU N N 486 125.807 125.807 126.424 -0.617 18462 13683 1 19 . 1 1 486 486 LEU HA H 486 4.762 4.762 4.833 -0.071 18462 13684 1 19 . 1 1 486 486 LEU C C 486 175.613 175.613 174.995 0.618 18462 13685 1 19 . 1 1 486 486 LEU CA C 486 53.645 53.645 54.389 -0.744 18462 13686 1 19 . 1 1 486 486 LEU CB C 486 45.873 45.873 45.245 0.628 18462 13687 1 19 . 1 1 486 486 LEU H H 486 8.957 8.957 8.929 0.028 18462 13688 1 19 . 1 1 487 487 ILE N N 487 125.332 125.332 127.743 -2.411 18462 13689 1 19 . 1 1 487 487 ILE HA H 487 5.007 5.007 4.478 0.529 18462 13690 1 19 . 1 1 487 487 ILE C C 487 174.543 174.543 175.512 -0.969 18462 13691 1 19 . 1 1 487 487 ILE CA C 487 59.695 59.695 61.376 -1.681 18462 13692 1 19 . 1 1 487 487 ILE CB C 487 37.433 37.433 38.394 -0.961 18462 13693 1 19 . 1 1 487 487 ILE H H 487 8.549 8.549 8.476 0.073 18462 13694 1 19 . 1 1 488 488 VAL N N 488 129.307 129.307 128.352 0.955 18462 13695 1 19 . 1 1 488 488 VAL HA H 488 4.304 4.304 4.153 0.151 18462 13696 1 19 . 1 1 488 488 VAL C C 488 176.678 176.678 175.093 1.585 18462 13697 1 19 . 1 1 488 488 VAL CA C 488 60.868 60.868 60.802 0.066 18462 13698 1 19 . 1 1 488 488 VAL CB C 488 33.681 33.681 34.640 -0.959 18462 13699 1 19 . 1 1 488 488 VAL H H 488 9.456 9.456 8.686 0.770 18462 13700 1 19 . 1 1 489 489 ASP N N 489 128.884 128.884 127.821 1.063 18462 13701 1 19 . 1 1 489 489 ASP HA H 489 4.301 4.301 4.228 0.073 18462 13702 1 19 . 1 1 489 489 ASP C C 489 176.084 176.084 177.192 -1.108 18462 13703 1 19 . 1 1 489 489 ASP CA C 489 54.537 54.537 54.666 -0.129 18462 13704 1 19 . 1 1 489 489 ASP CB C 489 39.074 39.074 40.433 -1.359 18462 13705 1 19 . 1 1 489 489 ASP H H 489 9.144 9.144 9.101 0.043 18462 13706 1 19 . 1 1 490 490 GLY N N 490 102.410 102.410 102.339 0.071 18462 13707 1 19 . 1 1 490 490 GLY C C 490 175.998 175.998 173.973 2.025 18462 13708 1 19 . 1 1 490 490 GLY CA C 490 44.818 44.818 45.451 -0.633 18462 13709 1 19 . 1 1 490 490 GLY H H 490 8.210 8.210 8.336 -0.126 18462 13710 1 19 . 1 1 491 491 ARG N N 491 122.605 122.605 120.464 2.141 18462 13711 1 19 . 1 1 491 491 ARG HA H 491 4.597 4.597 4.613 -0.016 18462 13712 1 19 . 1 1 491 491 ARG C C 491 173.256 173.256 175.193 -1.937 18462 13713 1 19 . 1 1 491 491 ARG CA C 491 53.610 53.610 54.268 -0.658 18462 13714 1 19 . 1 1 491 491 ARG CB C 491 32.040 32.040 31.987 0.053 18462 13715 1 19 . 1 1 491 491 ARG H H 491 7.938 7.938 7.792 0.146 18462 13716 1 19 . 1 1 492 492 VAL N N 492 123.769 123.769 124.007 -0.238 18462 13717 1 19 . 1 1 492 492 VAL HA H 492 4.128 4.128 3.744 0.384 18462 13718 1 19 . 1 1 492 492 VAL C C 492 173.470 173.470 174.968 -1.498 18462 13719 1 19 . 1 1 492 492 VAL CA C 492 62.210 62.210 62.695 -0.485 18462 13720 1 19 . 1 1 492 492 VAL CB C 492 32.040 32.040 31.990 0.050 18462 13721 1 19 . 1 1 492 492 VAL H H 492 8.157 8.157 8.570 -0.413 18462 13722 1 19 . 1 1 493 493 TYR N N 493 124.842 124.842 126.153 -1.311 18462 13723 1 19 . 1 1 493 493 TYR HA H 493 4.632 4.632 4.804 -0.172 18462 13724 1 19 . 1 1 493 493 TYR C C 493 174.288 174.288 175.155 -0.867 18462 13725 1 19 . 1 1 493 493 TYR CA C 493 56.308 56.308 53.556 2.752 18462 13726 1 19 . 1 1 493 493 TYR CB C 493 40.481 40.481 40.596 -0.115 18462 13727 1 19 . 1 1 493 493 TYR H H 493 8.981 8.981 8.526 0.455 18462 13728 1 19 . 1 1 494 494 TYR N N 494 120.511 120.511 119.154 1.357 18462 13729 1 19 . 1 1 494 494 TYR HA H 494 4.763 4.763 5.170 -0.407 18462 13730 1 19 . 1 1 494 494 TYR C C 494 173.811 173.811 175.460 -1.649 18462 13731 1 19 . 1 1 494 494 TYR CA C 494 56.764 56.764 56.643 0.121 18462 13732 1 19 . 1 1 494 494 TYR CB C 494 38.722 38.722 39.640 -0.918 18462 13733 1 19 . 1 1 494 494 TYR H H 494 9.235 9.235 9.200 0.035 18462 13734 1 19 . 1 1 495 495 ILE N N 495 124.930 124.930 123.247 1.683 18462 13735 1 19 . 1 1 495 495 ILE HA H 495 4.780 4.780 4.775 0.005 18462 13736 1 19 . 1 1 495 495 ILE C C 495 174.764 174.764 175.578 -0.814 18462 13737 1 19 . 1 1 495 495 ILE CA C 495 57.714 57.714 59.294 -1.581 18462 13738 1 19 . 1 1 495 495 ILE CB C 495 36.729 36.729 40.068 -3.339 18462 13739 1 19 . 1 1 495 495 ILE H H 495 9.136 9.136 9.198 -0.062 18462 13740 1 19 . 1 1 496 496 CYS N N 496 127.535 127.535 127.903 -0.368 18462 13741 1 19 . 1 1 496 496 CYS HA H 496 4.745 4.745 4.934 -0.189 18462 13742 1 19 . 1 1 496 496 CYS C C 496 176.128 176.128 177.045 -0.917 18462 13743 1 19 . 1 1 496 496 CYS CA C 496 60.574 60.574 58.886 1.688 18462 13744 1 19 . 1 1 496 496 CYS CB C 496 29.227 29.227 28.071 1.156 18462 13745 1 19 . 1 1 496 496 CYS H H 496 9.016 9.016 8.597 0.419 18462 13746 1 19 . 1 1 497 497 ILE N N 497 129.645 129.645 126.524 3.121 18462 13747 1 19 . 1 1 497 497 ILE HA H 497 4.176 4.176 4.197 -0.021 18462 13748 1 19 . 1 1 497 497 ILE C C 497 177.925 177.925 176.847 1.078 18462 13749 1 19 . 1 1 497 497 ILE CA C 497 63.447 63.447 64.508 -1.061 18462 13750 1 19 . 1 1 497 497 ILE CB C 497 39.543 39.543 37.832 1.711 18462 13751 1 19 . 1 1 497 497 ILE H H 497 8.295 8.295 8.439 -0.144 18462 13752 1 19 . 1 1 498 498 VAL N N 498 123.791 123.791 121.826 1.965 18462 13753 1 19 . 1 1 498 498 VAL HA H 498 3.939 3.939 3.751 0.188 18462 13754 1 19 . 1 1 498 498 VAL C C 498 176.127 176.127 177.401 -1.274 18462 13755 1 19 . 1 1 498 498 VAL CA C 498 64.619 64.619 65.532 -0.913 18462 13756 1 19 . 1 1 498 498 VAL CB C 498 32.275 32.275 31.320 0.955 18462 13757 1 19 . 1 1 498 498 VAL H H 498 8.993 8.993 8.249 0.744 18462 13758 1 19 . 1 1 499 499 CYS N N 499 117.267 117.267 111.670 5.597 18462 13759 1 19 . 1 1 499 499 CYS HA H 499 5.157 5.157 4.842 0.315 18462 13760 1 19 . 1 1 499 499 CYS C C 499 177.106 177.106 174.947 2.159 18462 13761 1 19 . 1 1 499 499 CYS CA C 499 57.820 57.820 57.320 0.500 18462 13762 1 19 . 1 1 499 499 CYS CB C 499 31.571 31.571 29.485 2.086 18462 13763 1 19 . 1 1 499 499 CYS H H 499 8.307 8.307 8.032 0.275 18462 13764 1 19 . 1 1 500 500 LYS N N 500 117.950 117.950 118.974 -1.024 18462 13765 1 19 . 1 1 500 500 LYS HA H 500 4.306 4.306 4.054 0.252 18462 13766 1 19 . 1 1 500 500 LYS C C 500 175.869 175.869 175.391 0.478 18462 13767 1 19 . 1 1 500 500 LYS CA C 500 57.585 57.585 57.213 0.372 18462 13768 1 19 . 1 1 500 500 LYS CB C 500 28.289 28.289 29.727 -1.438 18462 13769 1 19 . 1 1 500 500 LYS H H 500 8.169 8.169 8.236 -0.067 18462 13770 1 19 . 1 1 501 501 ARG N N 501 121.270 121.270 119.743 1.527 18462 13771 1 19 . 1 1 501 501 ARG HA H 501 4.090 4.090 4.161 -0.071 18462 13772 1 19 . 1 1 501 501 ARG C C 501 175.587 175.587 175.657 -0.070 18462 13773 1 19 . 1 1 501 501 ARG CA C 501 58.289 58.289 55.849 2.439 18462 13774 1 19 . 1 1 501 501 ARG CB C 501 29.694 29.694 31.050 -1.356 18462 13775 1 19 . 1 1 501 501 ARG H H 501 8.071 8.071 7.768 0.303 18462 13776 1 19 . 1 1 502 502 SER N N 502 112.997 112.997 118.214 -5.217 18462 13777 1 19 . 1 1 502 502 SER HA H 502 5.003 5.003 4.653 0.350 18462 13778 1 19 . 1 1 502 502 SER C C 502 174.417 174.417 173.261 1.156 18462 13779 1 19 . 1 1 502 502 SER CA C 502 55.475 55.475 57.332 -1.857 18462 13780 1 19 . 1 1 502 502 SER CB C 502 65.088 65.088 64.210 0.878 18462 13781 1 19 . 1 1 502 502 SER H H 502 7.553 7.553 8.283 -0.730 18462 13782 1 19 . 1 1 503 503 TYR N N 503 121.115 121.115 122.776 -1.661 18462 13783 1 19 . 1 1 503 503 TYR HA H 503 4.996 4.996 4.605 0.391 18462 13784 1 19 . 1 1 503 503 TYR C C 503 173.707 173.707 175.847 -2.140 18462 13785 1 19 . 1 1 503 503 TYR CA C 503 57.585 57.585 57.433 0.152 18462 13786 1 19 . 1 1 503 503 TYR CB C 503 42.244 42.244 41.604 0.640 18462 13787 1 19 . 1 1 503 503 TYR H H 503 8.958 8.958 8.682 0.276 18462 13788 1 19 . 1 1 504 504 VAL N N 504 119.390 119.390 120.524 -1.134 18462 13789 1 19 . 1 1 504 504 VAL HA H 504 4.376 4.376 4.061 0.315 18462 13790 1 19 . 1 1 504 504 VAL C C 504 176.390 176.390 175.830 0.560 18462 13791 1 19 . 1 1 504 504 VAL CA C 504 62.275 62.275 63.872 -1.597 18462 13792 1 19 . 1 1 504 504 VAL CB C 504 33.025 33.025 32.322 0.703 18462 13793 1 19 . 1 1 504 504 VAL H H 504 9.988 9.988 8.698 1.290 18462 13794 1 19 . 1 1 505 505 CYS N N 505 113.800 113.800 116.137 -2.337 18462 13795 1 19 . 1 1 505 505 CYS HA H 505 4.998 4.998 4.781 0.217 18462 13796 1 19 . 1 1 505 505 CYS C C 505 176.603 176.603 175.098 1.505 18462 13797 1 19 . 1 1 505 505 CYS CA C 505 56.647 56.647 57.721 -1.074 18462 13798 1 19 . 1 1 505 505 CYS CB C 505 38.406 38.406 31.411 6.995 18462 13799 1 19 . 1 1 505 505 CYS H H 505 7.518 7.518 7.817 -0.299 18462 13800 1 19 . 1 1 506 506 LEU N N 506 129.535 129.535 124.255 5.280 18462 13801 1 19 . 1 1 506 506 LEU HA H 506 3.325 3.325 3.512 -0.187 18462 13802 1 19 . 1 1 506 506 LEU C C 506 174.727 174.727 177.719 -2.992 18462 13803 1 19 . 1 1 506 506 LEU CA C 506 56.647 56.647 58.073 -1.426 18462 13804 1 19 . 1 1 506 506 LEU CB C 506 39.308 39.308 41.196 -1.888 18462 13805 1 19 . 1 1 506 506 LEU H H 506 8.602 8.602 8.677 -0.075 18462 13806 1 19 . 1 1 507 507 THR N N 507 108.833 108.833 110.076 -1.243 18462 13807 1 19 . 1 1 507 507 THR HA H 507 3.820 3.820 3.871 -0.051 18462 13808 1 19 . 1 1 507 507 THR C C 507 178.905 178.905 176.547 2.358 18462 13809 1 19 . 1 1 507 507 THR CA C 507 64.150 64.150 66.096 -1.946 18462 13810 1 19 . 1 1 507 507 THR CB C 507 66.260 66.260 67.904 -1.644 18462 13811 1 19 . 1 1 507 507 THR H H 507 8.087 8.087 8.189 -0.102 18462 13812 1 19 . 1 1 508 508 SER N N 508 119.009 119.009 118.821 0.188 18462 13813 1 19 . 1 1 508 508 SER HA H 508 4.123 4.123 4.006 0.117 18462 13814 1 19 . 1 1 508 508 SER C C 508 178.467 178.467 175.887 2.580 18462 13815 1 19 . 1 1 508 508 SER CA C 508 59.461 59.461 61.215 -1.754 18462 13816 1 19 . 1 1 508 508 SER CB C 508 62.978 62.978 62.763 0.215 18462 13817 1 19 . 1 1 508 508 SER H H 508 7.230 7.230 7.358 -0.128 18462 13818 1 19 . 1 1 509 509 LEU N N 509 127.365 127.365 123.800 3.565 18462 13819 1 19 . 1 1 509 509 LEU HA H 509 3.216 3.216 3.521 -0.305 18462 13820 1 19 . 1 1 509 509 LEU C C 509 176.740 176.740 177.660 -0.920 18462 13821 1 19 . 1 1 509 509 LEU CA C 509 57.351 57.351 57.932 -0.581 18462 13822 1 19 . 1 1 509 509 LEU CB C 509 39.074 39.074 41.723 -2.649 18462 13823 1 19 . 1 1 509 509 LEU H H 509 7.114 7.114 7.141 -0.027 18462 13824 1 19 . 1 1 510 510 ARG N N 510 119.955 119.955 118.430 1.525 18462 13825 1 19 . 1 1 510 510 ARG HA H 510 3.843 3.843 3.900 -0.057 18462 13826 1 19 . 1 1 510 510 ARG C C 510 178.472 178.472 178.944 -0.472 18462 13827 1 19 . 1 1 510 510 ARG CA C 510 61.766 61.766 58.556 3.210 18462 13828 1 19 . 1 1 510 510 ARG CB C 510 28.992 28.992 29.287 -0.295 18462 13829 1 19 . 1 1 510 510 ARG H H 510 8.100 8.100 8.369 -0.269 18462 13830 1 19 . 1 1 511 511 ARG N N 511 120.947 120.947 118.761 2.186 18462 13831 1 19 . 1 1 511 511 ARG HA H 511 4.078 4.078 3.901 0.177 18462 13832 1 19 . 1 1 511 511 ARG C C 511 178.262 178.262 178.568 -0.306 18462 13833 1 19 . 1 1 511 511 ARG CA C 511 59.054 59.054 59.049 0.005 18462 13834 1 19 . 1 1 511 511 ARG CB C 511 29.695 29.695 29.919 -0.224 18462 13835 1 19 . 1 1 511 511 ARG H H 511 7.802 7.802 7.828 -0.026 18462 13836 1 19 . 1 1 512 512 HIS N N 512 116.820 116.820 118.821 -2.001 18462 13837 1 19 . 1 1 512 512 HIS HA H 512 4.219 4.219 4.252 -0.033 18462 13838 1 19 . 1 1 512 512 HIS C C 512 178.069 178.069 177.270 0.799 18462 13839 1 19 . 1 1 512 512 HIS CA C 512 57.507 57.507 58.745 -1.238 18462 13840 1 19 . 1 1 512 512 HIS CB C 512 27.390 27.390 29.916 -2.526 18462 13841 1 19 . 1 1 512 512 HIS H H 512 7.809 7.809 7.969 -0.160 18462 13842 1 19 . 1 1 513 513 PHE N N 513 118.415 118.415 120.560 -2.145 18462 13843 1 19 . 1 1 513 513 PHE HA H 513 3.620 3.620 3.948 -0.328 18462 13844 1 19 . 1 1 513 513 PHE C C 513 176.026 176.026 176.533 -0.507 18462 13845 1 19 . 1 1 513 513 PHE CA C 513 61.102 61.102 61.029 0.073 18462 13846 1 19 . 1 1 513 513 PHE CB C 513 38.996 38.996 38.989 0.007 18462 13847 1 19 . 1 1 513 513 PHE H H 513 8.898 8.898 8.991 -0.093 18462 13848 1 19 . 1 1 514 514 ASN N N 514 114.080 114.080 119.205 -5.125 18462 13849 1 19 . 1 1 514 514 ASN HA H 514 4.988 4.988 4.283 0.705 18462 13850 1 19 . 1 1 514 514 ASN C C 514 176.236 176.236 177.286 -1.050 18462 13851 1 19 . 1 1 514 514 ASN CA C 514 55.006 55.006 55.999 -0.993 18462 13852 1 19 . 1 1 514 514 ASN CB C 514 40.129 40.129 38.246 1.883 18462 13853 1 19 . 1 1 514 514 ASN H H 514 8.678 8.678 7.738 0.940 18462 13854 1 19 . 1 1 515 515 ILE N N 515 114.035 114.035 118.655 -4.620 18462 13855 1 19 . 1 1 515 515 ILE HA H 515 2.997 2.997 3.196 -0.199 18462 13856 1 19 . 1 1 515 515 ILE C C 515 176.292 176.292 177.102 -0.810 18462 13857 1 19 . 1 1 515 515 ILE CA C 515 63.447 63.447 63.691 -0.244 18462 13858 1 19 . 1 1 515 515 ILE CB C 515 37.198 37.198 37.194 0.004 18462 13859 1 19 . 1 1 515 515 ILE H H 515 7.919 7.919 7.750 0.169 18462 13860 1 19 . 1 1 516 516 HIS N N 516 113.136 113.136 117.199 -4.063 18462 13861 1 19 . 1 1 516 516 HIS HA H 516 4.767 4.767 4.620 0.147 18462 13862 1 19 . 1 1 516 516 HIS C C 516 175.870 175.870 177.121 -1.251 18462 13863 1 19 . 1 1 516 516 HIS CA C 516 54.542 54.542 58.019 -3.477 18462 13864 1 19 . 1 1 516 516 HIS CB C 516 27.585 27.585 30.271 -2.686 18462 13865 1 19 . 1 1 516 516 HIS H H 516 7.170 7.170 7.534 -0.364 18462 13866 1 19 . 1 1 517 517 SER N N 517 112.852 112.852 114.271 -1.419 18462 13867 1 19 . 1 1 517 517 SER HA H 517 4.359 4.359 4.301 0.058 18462 13868 1 19 . 1 1 517 517 SER C C 517 177.067 177.067 175.489 1.578 18462 13869 1 19 . 1 1 517 517 SER CA C 517 58.758 58.758 59.685 -0.927 18462 13870 1 19 . 1 1 517 517 SER CB C 517 63.447 63.447 64.340 -0.893 18462 13871 1 19 . 1 1 517 517 SER H H 517 7.886 7.886 7.836 0.050 18462 13872 1 19 . 1 1 518 518 TRP N N 518 122.824 122.824 120.912 1.912 18462 13873 1 19 . 1 1 518 518 TRP HA H 518 4.005 4.005 4.307 -0.302 18462 13874 1 19 . 1 1 518 518 TRP C C 518 175.133 175.133 176.830 -1.697 18462 13875 1 19 . 1 1 518 518 TRP CA C 518 57.820 57.820 58.567 -0.747 18462 13876 1 19 . 1 1 518 518 TRP CB C 518 25.710 25.710 26.363 -0.653 18462 13877 1 19 . 1 1 518 518 TRP H H 518 9.274 9.274 8.157 1.117 18462 13878 1 19 . 1 1 519 519 GLU N N 519 119.673 119.673 117.229 2.444 18462 13879 1 19 . 1 1 519 519 GLU HA H 519 4.042 4.042 4.136 -0.094 18462 13880 1 19 . 1 1 519 519 GLU C C 519 175.353 175.353 176.424 -1.071 18462 13881 1 19 . 1 1 519 519 GLU CA C 519 58.758 58.758 58.136 0.622 18462 13882 1 19 . 1 1 519 519 GLU CB C 519 29.695 29.695 29.971 -0.276 18462 13883 1 19 . 1 1 519 519 GLU H H 519 7.828 7.828 7.855 -0.027 18462 13884 1 19 . 1 1 520 520 LYS N N 520 118.358 118.358 119.683 -1.325 18462 13885 1 19 . 1 1 520 520 LYS HA H 520 4.544 4.544 4.363 0.181 18462 13886 1 19 . 1 1 520 520 LYS C C 520 178.036 178.036 174.746 3.290 18462 13887 1 19 . 1 1 520 520 LYS CA C 520 53.845 53.845 54.944 -1.099 18462 13888 1 19 . 1 1 520 520 LYS CB C 520 34.385 34.385 34.494 -0.109 18462 13889 1 19 . 1 1 520 520 LYS H H 520 9.085 9.085 7.932 1.153 18462 13890 1 19 . 1 1 521 521 LYS N N 521 118.859 118.859 121.425 -2.566 18462 13891 1 19 . 1 1 521 521 LYS HA H 521 4.658 4.658 4.445 0.213 18462 13892 1 19 . 1 1 521 521 LYS C C 521 175.168 175.168 175.951 -0.783 18462 13893 1 19 . 1 1 521 521 LYS CA C 521 54.537 54.537 54.505 0.032 18462 13894 1 19 . 1 1 521 521 LYS CB C 521 35.323 35.323 33.001 2.322 18462 13895 1 19 . 1 1 521 521 LYS H H 521 8.238 8.238 8.246 -0.008 18462 13896 1 19 . 1 1 522 522 TYR N N 522 117.305 117.305 121.403 -4.098 18462 13897 1 19 . 1 1 522 522 TYR HA H 522 5.028 5.028 4.903 0.125 18462 13898 1 19 . 1 1 522 522 TYR C C 522 175.016 175.016 174.150 0.866 18462 13899 1 19 . 1 1 522 522 TYR CA C 522 54.537 54.537 55.016 -0.479 18462 13900 1 19 . 1 1 522 522 TYR CB C 522 37.198 37.198 38.448 -1.250 18462 13901 1 19 . 1 1 522 522 TYR H H 522 7.788 7.788 8.267 -0.479 18462 13902 1 19 . 1 1 523 523 PRO HA H 523 5.026 5.026 5.060 -0.034 18462 13903 1 19 . 1 1 523 523 PRO CA C 523 61.806 61.806 62.211 -0.405 18462 13904 1 19 . 1 1 523 523 PRO CB C 523 31.839 31.839 32.940 -1.101 18462 13905 1 19 . 1 1 524 524 CYS N N 524 126.569 126.569 121.235 5.334 18462 13906 1 19 . 1 1 524 524 CYS HA H 524 4.739 4.739 4.962 -0.223 18462 13907 1 19 . 1 1 524 524 CYS C C 524 176.841 176.841 176.277 0.564 18462 13908 1 19 . 1 1 524 524 CYS CA C 524 60.290 60.290 57.587 2.703 18462 13909 1 19 . 1 1 524 524 CYS CB C 524 29.344 29.344 29.664 -0.320 18462 13910 1 19 . 1 1 524 524 CYS H H 524 9.210 9.210 8.478 0.732 18462 13911 1 19 . 1 1 525 525 ARG N N 525 130.294 130.294 124.698 5.596 18462 13912 1 19 . 1 1 525 525 ARG HA H 525 4.285 4.285 4.126 0.159 18462 13913 1 19 . 1 1 525 525 ARG C C 525 176.390 176.390 177.426 -1.036 18462 13914 1 19 . 1 1 525 525 ARG CA C 525 58.043 58.043 57.350 0.693 18462 13915 1 19 . 1 1 525 525 ARG CB C 525 27.576 27.576 29.843 -2.267 18462 13916 1 19 . 1 1 525 525 ARG H H 525 9.724 9.724 9.138 0.586 18462 13917 1 19 . 1 1 526 526 TYR N N 526 122.622 122.622 116.245 6.377 18462 13918 1 19 . 1 1 526 526 TYR HA H 526 4.517 4.517 4.318 0.199 18462 13919 1 19 . 1 1 526 526 TYR C C 526 176.659 176.659 175.693 0.966 18462 13920 1 19 . 1 1 526 526 TYR CA C 526 58.054 58.054 58.230 -0.176 18462 13921 1 19 . 1 1 526 526 TYR CB C 526 37.628 37.628 37.993 -0.366 18462 13922 1 19 . 1 1 526 526 TYR H H 526 10.439 10.439 8.190 2.249 18462 13923 1 19 . 1 1 527 527 CYS N N 527 122.873 122.873 114.752 8.121 18462 13924 1 19 . 1 1 527 527 CYS HA H 527 5.153 5.153 4.909 0.244 18462 13925 1 19 . 1 1 527 527 CYS C C 527 175.243 175.243 174.587 0.656 18462 13926 1 19 . 1 1 527 527 CYS CA C 527 58.148 58.148 56.076 2.072 18462 13927 1 19 . 1 1 527 527 CYS CB C 527 30.164 30.164 31.442 -1.278 18462 13928 1 19 . 1 1 527 527 CYS H H 527 8.462 8.462 7.418 1.044 18462 13929 1 19 . 1 1 528 528 GLU N N 528 115.906 115.906 118.454 -2.548 18462 13930 1 19 . 1 1 528 528 GLU HA H 528 4.453 4.453 4.310 0.143 18462 13931 1 19 . 1 1 528 528 GLU C C 528 173.484 173.484 176.451 -2.967 18462 13932 1 19 . 1 1 528 528 GLU CA C 528 57.390 57.390 56.226 1.164 18462 13933 1 19 . 1 1 528 528 GLU CB C 528 29.608 29.608 29.351 0.257 18462 13934 1 19 . 1 1 528 528 GLU H H 528 8.704 8.704 8.657 0.047 18462 13935 1 19 . 1 1 529 529 LYS N N 529 125.068 125.068 121.455 3.613 18462 13936 1 19 . 1 1 529 529 LYS HA H 529 4.041 4.041 4.239 -0.198 18462 13937 1 19 . 1 1 529 529 LYS C C 529 176.881 176.881 174.929 1.952 18462 13938 1 19 . 1 1 529 529 LYS CA C 529 57.585 57.585 56.784 0.801 18462 13939 1 19 . 1 1 529 529 LYS CB C 529 33.212 33.212 33.335 -0.123 18462 13940 1 19 . 1 1 529 529 LYS H H 529 8.696 8.696 7.630 1.066 18462 13941 1 19 . 1 1 530 530 VAL N N 530 119.525 119.525 122.091 -2.566 18462 13942 1 19 . 1 1 530 530 VAL HA H 530 4.541 4.541 4.334 0.207 18462 13943 1 19 . 1 1 530 530 VAL C C 530 175.118 175.118 175.630 -0.512 18462 13944 1 19 . 1 1 530 530 VAL CA C 530 60.633 60.633 61.892 -1.259 18462 13945 1 19 . 1 1 530 530 VAL CB C 530 34.150 34.150 33.245 0.905 18462 13946 1 19 . 1 1 530 530 VAL H H 530 8.054 8.054 8.256 -0.202 18462 13947 1 19 . 1 1 531 531 PHE N N 531 122.568 122.568 127.170 -4.602 18462 13948 1 19 . 1 1 531 531 PHE C C 531 174.185 174.185 174.715 -0.530 18462 13949 1 19 . 1 1 531 531 PHE CA C 531 55.586 55.586 55.340 0.246 18462 13950 1 19 . 1 1 531 531 PHE CB C 531 41.184 41.184 40.567 0.617 18462 13951 1 19 . 1 1 531 531 PHE H H 531 8.167 8.167 8.890 -0.723 18462 13952 1 19 . 1 1 532 532 PRO HA H 532 4.359 4.359 4.169 0.190 18462 13953 1 19 . 1 1 532 532 PRO CA C 532 62.216 62.216 63.082 -0.866 18462 13954 1 19 . 1 1 532 532 PRO CB C 532 29.930 29.930 31.865 -1.935 18462 13955 1 19 . 1 1 533 533 LEU N N 533 122.335 122.335 118.073 4.262 18462 13956 1 19 . 1 1 533 533 LEU HA H 533 4.086 4.086 4.121 -0.035 18462 13957 1 19 . 1 1 533 533 LEU C C 533 175.091 175.091 176.650 -1.559 18462 13958 1 19 . 1 1 533 533 LEU CA C 533 55.006 55.006 53.240 1.766 18462 13959 1 19 . 1 1 533 533 LEU CB C 533 43.529 43.529 44.575 -1.046 18462 13960 1 19 . 1 1 533 533 LEU H H 533 6.587 6.587 7.431 -0.844 18462 13961 1 19 . 1 1 534 534 ALA N N 534 126.722 126.722 125.378 1.344 18462 13962 1 19 . 1 1 534 534 ALA HA H 534 2.993 2.993 3.756 -0.763 18462 13963 1 19 . 1 1 534 534 ALA C C 534 175.439 175.439 178.681 -3.242 18462 13964 1 19 . 1 1 534 534 ALA CA C 534 54.537 54.537 54.889 -0.352 18462 13965 1 19 . 1 1 534 534 ALA CB C 534 18.452 18.452 17.532 0.920 18462 13966 1 19 . 1 1 534 534 ALA H H 534 7.698 7.698 7.984 -0.286 18462 13967 1 19 . 1 1 535 535 GLU N N 535 119.354 119.354 118.289 1.065 18462 13968 1 19 . 1 1 535 535 GLU HA H 535 4.675 4.675 4.063 0.612 18462 13969 1 19 . 1 1 535 535 GLU C C 535 180.126 180.126 178.547 1.579 18462 13970 1 19 . 1 1 535 535 GLU CA C 535 58.526 58.526 59.129 -0.603 18462 13971 1 19 . 1 1 535 535 GLU H H 535 9.535 9.535 8.759 0.776 18462 13972 1 19 . 1 1 536 536 TYR N N 536 114.592 114.592 119.750 -5.158 18462 13973 1 19 . 1 1 536 536 TYR HA H 536 4.368 4.368 4.199 0.169 18462 13974 1 19 . 1 1 536 536 TYR C C 536 178.004 178.004 177.892 0.112 18462 13975 1 19 . 1 1 536 536 TYR CA C 536 56.179 56.179 59.462 -3.283 18462 13976 1 19 . 1 1 536 536 TYR CB C 536 35.556 35.556 37.189 -1.633 18462 13977 1 19 . 1 1 536 536 TYR H H 536 6.552 6.552 8.282 -1.730 18462 13978 1 19 . 1 1 537 537 ARG N N 537 119.820 119.820 117.541 2.279 18462 13979 1 19 . 1 1 537 537 ARG HA H 537 3.209 3.209 3.585 -0.376 18462 13980 1 19 . 1 1 537 537 ARG C C 537 179.469 179.469 178.396 1.073 18462 13981 1 19 . 1 1 537 537 ARG CA C 537 59.131 59.131 58.250 0.881 18462 13982 1 19 . 1 1 537 537 ARG CB C 537 27.179 27.179 28.656 -1.477 18462 13983 1 19 . 1 1 537 537 ARG H H 537 7.016 7.016 7.556 -0.540 18462 13984 1 19 . 1 1 538 538 THR N N 538 120.080 120.080 118.320 1.760 18462 13985 1 19 . 1 1 538 538 THR HA H 538 3.939 3.939 4.080 -0.141 18462 13986 1 19 . 1 1 538 538 THR C C 538 177.538 177.538 176.319 1.219 18462 13987 1 19 . 1 1 538 538 THR CA C 538 66.026 66.026 66.950 -0.924 18462 13988 1 19 . 1 1 538 538 THR CB C 538 66.964 66.964 68.762 -1.798 18462 13989 1 19 . 1 1 538 538 THR H H 538 8.410 8.410 8.135 0.275 18462 13990 1 19 . 1 1 539 539 LYS N N 539 117.252 117.252 119.398 -2.146 18462 13991 1 19 . 1 1 539 539 LYS HA H 539 4.054 4.054 4.131 -0.077 18462 13992 1 19 . 1 1 539 539 LYS C C 539 176.139 176.139 178.974 -2.835 18462 13993 1 19 . 1 1 539 539 LYS CA C 539 57.116 57.116 58.287 -1.171 18462 13994 1 19 . 1 1 539 539 LYS CB C 539 31.859 31.859 31.877 -0.018 18462 13995 1 19 . 1 1 539 539 LYS H H 539 8.012 8.012 8.216 -0.204 18462 13996 1 19 . 1 1 540 540 HIS N N 540 118.983 118.983 119.448 -0.465 18462 13997 1 19 . 1 1 540 540 HIS HA H 540 4.548 4.548 4.293 0.255 18462 13998 1 19 . 1 1 540 540 HIS C C 540 179.568 179.568 177.307 2.261 18462 13999 1 19 . 1 1 540 540 HIS CA C 540 58.758 58.758 59.487 -0.729 18462 14000 1 19 . 1 1 540 540 HIS CB C 540 28.260 28.260 29.757 -1.497 18462 14001 1 19 . 1 1 540 540 HIS H H 540 7.536 7.536 8.181 -0.645 18462 14002 1 19 . 1 1 541 541 GLU N N 541 122.073 122.073 119.913 2.160 18462 14003 1 19 . 1 1 541 541 GLU HA H 541 4.215 4.215 4.281 -0.066 18462 14004 1 19 . 1 1 541 541 GLU C C 541 177.829 177.829 178.822 -0.993 18462 14005 1 19 . 1 1 541 541 GLU CA C 541 61.181 61.181 59.240 1.941 18462 14006 1 19 . 1 1 541 541 GLU CB C 541 29.712 29.712 29.753 -0.041 18462 14007 1 19 . 1 1 541 541 GLU H H 541 9.540 9.540 8.316 1.224 18462 14008 1 19 . 1 1 542 542 ILE N N 542 121.307 121.307 119.768 1.539 18462 14009 1 19 . 1 1 542 542 ILE HA H 542 4.335 4.335 3.816 0.519 18462 14010 1 19 . 1 1 542 542 ILE C C 542 179.666 179.666 177.716 1.950 18462 14011 1 19 . 1 1 542 542 ILE CA C 542 61.806 61.806 65.171 -3.365 18462 14012 1 19 . 1 1 542 542 ILE CB C 542 36.729 36.729 37.991 -1.262 18462 14013 1 19 . 1 1 542 542 ILE H H 542 8.275 8.275 8.398 -0.123 18462 14014 1 19 . 1 1 543 543 HIS N N 543 118.514 118.514 118.887 -0.373 18462 14015 1 19 . 1 1 543 543 HIS HA H 543 4.257 4.257 4.364 -0.107 18462 14016 1 19 . 1 1 543 543 HIS C C 543 178.283 178.283 176.884 1.399 18462 14017 1 19 . 1 1 543 543 HIS CA C 543 58.758 58.758 59.053 -0.295 18462 14018 1 19 . 1 1 543 543 HIS CB C 543 26.882 26.882 29.611 -2.729 18462 14019 1 19 . 1 1 543 543 HIS H H 543 7.744 7.744 7.635 0.109 18462 14020 1 19 . 1 1 544 544 HIS N N 544 115.805 115.805 116.677 -0.872 18462 14021 1 19 . 1 1 544 544 HIS HA H 544 4.317 4.317 4.420 -0.103 18462 14022 1 19 . 1 1 544 544 HIS C C 544 178.058 178.058 176.971 1.087 18462 14023 1 19 . 1 1 544 544 HIS CA C 544 58.054 58.054 58.349 -0.295 18462 14024 1 19 . 1 1 544 544 HIS CB C 544 36.882 36.882 30.203 6.679 18462 14025 1 19 . 1 1 544 544 HIS H H 544 7.537 7.537 7.386 0.151 18462 14026 1 19 . 1 1 545 545 THR N N 545 109.469 109.469 110.939 -1.470 18462 14027 1 19 . 1 1 545 545 THR HA H 545 4.184 4.184 4.083 0.101 18462 14028 1 19 . 1 1 545 545 THR C C 545 177.277 177.277 176.082 1.195 18462 14029 1 19 . 1 1 545 545 THR CA C 545 62.509 62.509 63.699 -1.190 18462 14030 1 19 . 1 1 545 545 THR CB C 545 68.839 68.839 69.833 -0.994 18462 14031 1 19 . 1 1 545 545 THR H H 545 7.991 7.991 8.102 -0.111 18462 14032 1 19 . 1 1 546 546 GLY N N 546 113.407 113.407 110.301 3.106 18462 14033 1 19 . 1 1 546 546 GLY C C 546 177.501 177.501 173.915 3.586 18462 14034 1 19 . 1 1 546 546 GLY CA C 546 44.935 44.935 44.996 -0.061 18462 14035 1 19 . 1 1 546 546 GLY H H 546 8.530 8.530 8.043 0.487 18462 14036 1 19 . 1 1 547 547 GLU N N 547 123.901 123.901 121.665 2.236 18462 14037 1 19 . 1 1 547 547 GLU HA H 547 3.913 3.913 4.003 -0.090 18462 14038 1 19 . 1 1 547 547 GLU C C 547 173.687 173.687 176.299 -2.612 18462 14039 1 19 . 1 1 547 547 GLU CA C 547 56.413 56.413 56.350 0.063 18462 14040 1 19 . 1 1 547 547 GLU CB C 547 29.123 29.123 29.781 -0.658 18462 14041 1 19 . 1 1 547 547 GLU H H 547 7.301 7.301 7.667 -0.366 18462 14042 1 19 . 1 1 548 548 ARG N N 548 128.505 128.505 126.790 1.715 18462 14043 1 19 . 1 1 548 548 ARG HA H 548 4.444 4.444 4.404 0.040 18462 14044 1 19 . 1 1 548 548 ARG C C 548 175.180 175.180 176.270 -1.090 18462 14045 1 19 . 1 1 548 548 ARG CA C 548 55.059 55.059 57.030 -1.971 18462 14046 1 19 . 1 1 548 548 ARG CB C 548 29.227 29.227 30.542 -1.315 18462 14047 1 19 . 1 1 548 548 ARG H H 548 8.752 8.752 8.404 0.348 18462 14048 1 19 . 1 1 549 549 ARG N N 549 121.815 121.815 120.753 1.062 18462 14049 1 19 . 1 1 549 549 ARG HA H 549 4.205 4.205 4.616 -0.411 18462 14050 1 19 . 1 1 549 549 ARG C C 549 175.850 175.850 175.884 -0.034 18462 14051 1 19 . 1 1 549 549 ARG CA C 549 57.350 57.350 56.496 0.854 18462 14052 1 19 . 1 1 549 549 ARG CB C 549 32.980 32.980 33.361 -0.381 18462 14053 1 19 . 1 1 549 549 ARG H H 549 9.440 9.440 8.877 0.563 18462 14054 1 19 . 1 1 550 550 TYR N N 550 116.087 116.087 121.661 -5.574 18462 14055 1 19 . 1 1 550 550 TYR C C 550 176.129 176.129 174.857 1.272 18462 14056 1 19 . 1 1 550 550 TYR CA C 550 58.169 58.169 58.220 -0.051 18462 14057 1 19 . 1 1 550 550 TYR CB C 550 38.994 38.994 37.314 1.680 18462 14058 1 19 . 1 1 550 550 TYR H H 550 8.287 8.287 8.380 -0.093 18462 14059 1 19 . 1 1 551 551 GLN N N 551 125.096 125.096 124.904 0.192 18462 14060 1 19 . 1 1 551 551 GLN HA H 551 5.275 5.275 5.036 0.239 18462 14061 1 19 . 1 1 551 551 GLN C C 551 175.080 175.080 174.938 0.142 18462 14062 1 19 . 1 1 551 551 GLN CA C 551 53.610 53.610 54.494 -0.884 18462 14063 1 19 . 1 1 551 551 GLN CB C 551 31.152 31.152 31.777 -0.625 18462 14064 1 19 . 1 1 551 551 GLN H H 551 9.656 9.656 9.239 0.417 18462 14065 1 19 . 1 1 552 552 CYS N N 552 128.697 128.697 126.222 2.475 18462 14066 1 19 . 1 1 552 552 CYS HA H 552 4.584 4.584 4.803 -0.219 18462 14067 1 19 . 1 1 552 552 CYS C C 552 175.231 175.231 175.308 -0.077 18462 14068 1 19 . 1 1 552 552 CYS CA C 552 59.461 59.461 60.023 -0.562 18462 14069 1 19 . 1 1 552 552 CYS CB C 552 29.695 29.695 28.291 1.404 18462 14070 1 19 . 1 1 552 552 CYS H H 552 9.427 9.427 9.314 0.113 18462 14071 1 19 . 1 1 553 553 LEU N N 553 130.168 130.168 126.161 4.007 18462 14072 1 19 . 1 1 553 553 LEU HA H 553 4.396 4.396 4.458 -0.062 18462 14073 1 19 . 1 1 553 553 LEU C C 553 177.402 177.402 178.016 -0.614 18462 14074 1 19 . 1 1 553 553 LEU CA C 553 55.710 55.710 56.166 -0.456 18462 14075 1 19 . 1 1 553 553 LEU CB C 553 40.246 40.246 42.109 -1.863 18462 14076 1 19 . 1 1 553 553 LEU H H 553 8.632 8.632 9.064 -0.432 18462 14077 1 19 . 1 1 554 554 ALA N N 554 125.048 125.048 123.164 1.884 18462 14078 1 19 . 1 1 554 554 ALA HA H 554 4.295 4.295 4.115 0.180 18462 14079 1 19 . 1 1 554 554 ALA C C 554 177.657 177.657 178.110 -0.453 18462 14080 1 19 . 1 1 554 554 ALA CA C 554 53.610 53.610 54.276 -0.666 18462 14081 1 19 . 1 1 554 554 ALA CB C 554 16.577 16.577 18.788 -2.211 18462 14082 1 19 . 1 1 554 554 ALA H H 554 8.847 8.847 8.214 0.633 18462 14083 1 19 . 1 1 555 555 CYS N N 555 113.388 113.388 112.592 0.796 18462 14084 1 19 . 1 1 555 555 CYS HA H 555 5.299 5.299 4.982 0.317 18462 14085 1 19 . 1 1 555 555 CYS C C 555 178.854 178.854 175.827 3.027 18462 14086 1 19 . 1 1 555 555 CYS CA C 555 57.820 57.820 57.230 0.590 18462 14087 1 19 . 1 1 555 555 CYS CB C 555 31.665 31.665 29.495 2.170 18462 14088 1 19 . 1 1 555 555 CYS H H 555 8.146 8.146 7.797 0.349 18462 14089 1 19 . 1 1 556 556 GLY N N 556 114.264 114.264 109.822 4.442 18462 14090 1 19 . 1 1 556 556 GLY C C 556 176.084 176.084 174.668 1.416 18462 14091 1 19 . 1 1 556 556 GLY CA C 556 45.639 45.639 45.555 0.084 18462 14092 1 19 . 1 1 556 556 GLY H H 556 8.104 8.104 8.495 -0.391 18462 14093 1 19 . 1 1 557 557 LYS N N 557 123.318 123.318 121.245 2.073 18462 14094 1 19 . 1 1 557 557 LYS HA H 557 4.110 4.110 4.144 -0.034 18462 14095 1 19 . 1 1 557 557 LYS C C 557 174.300 174.300 175.660 -1.360 18462 14096 1 19 . 1 1 557 557 LYS CA C 557 57.585 57.585 56.564 1.021 18462 14097 1 19 . 1 1 557 557 LYS CB C 557 33.447 33.447 33.115 0.332 18462 14098 1 19 . 1 1 557 557 LYS H H 557 8.043 8.043 7.570 0.473 18462 14099 1 19 . 1 1 558 558 SER N N 558 115.947 115.947 116.748 -0.801 18462 14100 1 19 . 1 1 558 558 SER HA H 558 5.661 5.661 4.985 0.676 18462 14101 1 19 . 1 1 558 558 SER C C 558 174.321 174.321 173.258 1.063 18462 14102 1 19 . 1 1 558 558 SER CA C 558 56.179 56.179 57.147 -0.968 18462 14103 1 19 . 1 1 558 558 SER CB C 558 65.088 65.088 65.101 -0.013 18462 14104 1 19 . 1 1 558 558 SER H H 558 7.864 7.864 8.176 -0.312 18462 14105 1 19 . 1 1 559 559 PHE N N 559 117.815 117.815 120.364 -2.549 18462 14106 1 19 . 1 1 559 559 PHE HA H 559 4.781 4.781 4.721 0.060 18462 14107 1 19 . 1 1 559 559 PHE C C 559 173.632 173.632 175.561 -1.929 18462 14108 1 19 . 1 1 559 559 PHE CA C 559 56.687 56.687 57.066 -0.379 18462 14109 1 19 . 1 1 559 559 PHE CB C 559 44.232 44.232 42.193 2.039 18462 14110 1 19 . 1 1 559 559 PHE H H 559 9.488 9.488 8.842 0.646 18462 14111 1 19 . 1 1 560 560 ILE N N 560 118.092 118.092 119.234 -1.142 18462 14112 1 19 . 1 1 560 560 ILE HA H 560 4.470 4.470 4.187 0.283 18462 14113 1 19 . 1 1 560 560 ILE C C 560 175.986 175.986 174.449 1.537 18462 14114 1 19 . 1 1 560 560 ILE CA C 560 62.040 62.040 62.687 -0.647 18462 14115 1 19 . 1 1 560 560 ILE CB C 560 39.308 39.308 38.380 0.928 18462 14116 1 19 . 1 1 560 560 ILE H H 560 9.306 9.306 8.460 0.846 18462 14117 1 19 . 1 1 561 561 ASN N N 561 114.751 114.751 112.563 2.188 18462 14118 1 19 . 1 1 561 561 ASN HA H 561 4.683 4.683 4.808 -0.125 18462 14119 1 19 . 1 1 561 561 ASN C C 561 175.350 175.350 174.251 1.099 18462 14120 1 19 . 1 1 561 561 ASN CA C 561 50.797 50.797 51.497 -0.700 18462 14121 1 19 . 1 1 561 561 ASN CB C 561 39.777 39.777 39.893 -0.116 18462 14122 1 19 . 1 1 561 561 ASN H H 561 7.387 7.387 7.597 -0.210 18462 14123 1 19 . 1 1 562 562 TYR N N 562 118.833 118.833 120.358 -1.525 18462 14124 1 19 . 1 1 562 562 TYR C C 562 172.730 172.730 177.119 -4.389 18462 14125 1 19 . 1 1 562 562 TYR CA C 562 59.907 59.907 61.974 -2.067 18462 14126 1 19 . 1 1 562 562 TYR CB C 562 38.480 38.480 38.007 0.473 18462 14127 1 19 . 1 1 562 562 TYR H H 562 8.243 8.243 8.263 -0.020 18462 14128 1 19 . 1 1 563 563 GLN N N 563 119.525 119.525 117.690 1.835 18462 14129 1 19 . 1 1 563 563 GLN HA H 563 3.720 3.720 3.908 -0.188 18462 14130 1 19 . 1 1 563 563 GLN C C 563 176.326 176.326 178.199 -1.873 18462 14131 1 19 . 1 1 563 563 GLN CA C 563 61.102 61.102 59.841 1.261 18462 14132 1 19 . 1 1 563 563 GLN CB C 563 25.450 25.450 27.666 -2.216 18462 14133 1 19 . 1 1 563 563 GLN H H 563 8.524 8.524 8.440 0.084 18462 14134 1 19 . 1 1 564 564 PHE N N 564 118.625 118.625 120.008 -1.383 18462 14135 1 19 . 1 1 564 564 PHE HA H 564 4.427 4.427 4.149 0.278 18462 14136 1 19 . 1 1 564 564 PHE C C 564 179.429 179.429 177.675 1.754 18462 14137 1 19 . 1 1 564 564 PHE CA C 564 59.461 59.461 61.334 -1.873 18462 14138 1 19 . 1 1 564 564 PHE CB C 564 38.488 38.488 38.707 -0.219 18462 14139 1 19 . 1 1 564 564 PHE H H 564 8.904 8.904 9.121 -0.217 18462 14140 1 19 . 1 1 565 565 MET N N 565 120.996 120.996 120.177 0.819 18462 14141 1 19 . 1 1 565 565 MET HA H 565 3.720 3.720 3.078 0.642 18462 14142 1 19 . 1 1 565 565 MET C C 565 178.642 178.642 177.728 0.914 18462 14143 1 19 . 1 1 565 565 MET CA C 565 58.037 58.037 57.648 0.389 18462 14144 1 19 . 1 1 565 565 MET H H 565 7.153 7.153 7.764 -0.611 18462 14145 1 19 . 1 1 566 566 SER N N 566 115.706 115.706 115.146 0.560 18462 14146 1 19 . 1 1 566 566 SER HA H 566 3.720 3.720 3.939 -0.219 18462 14147 1 19 . 1 1 566 566 SER C C 566 176.710 176.710 176.419 0.291 18462 14148 1 19 . 1 1 566 566 SER CA C 566 60.633 60.633 61.642 -1.010 18462 14149 1 19 . 1 1 566 566 SER CB C 566 62.040 62.040 62.867 -0.827 18462 14150 1 19 . 1 1 566 566 SER H H 566 8.918 8.918 8.508 0.410 18462 14151 1 19 . 1 1 567 567 SER N N 567 114.335 114.335 117.195 -2.860 18462 14152 1 19 . 1 1 567 567 SER HA H 567 4.212 4.212 4.040 0.172 18462 14153 1 19 . 1 1 567 567 SER C C 567 176.849 176.849 176.675 0.174 18462 14154 1 19 . 1 1 567 567 SER CA C 567 60.868 60.868 61.436 -0.568 18462 14155 1 19 . 1 1 567 567 SER CB C 567 61.806 61.806 63.123 -1.317 18462 14156 1 19 . 1 1 567 567 SER H H 567 7.933 7.933 7.957 -0.024 18462 14157 1 19 . 1 1 568 568 HIS N N 568 120.659 120.659 122.610 -1.951 18462 14158 1 19 . 1 1 568 568 HIS HA H 568 4.327 4.327 4.301 0.026 18462 14159 1 19 . 1 1 568 568 HIS C C 568 177.652 177.652 177.550 0.102 18462 14160 1 19 . 1 1 568 568 HIS CA C 568 58.992 58.992 59.228 -0.236 18462 14161 1 19 . 1 1 568 568 HIS CB C 568 27.234 27.234 29.282 -2.048 18462 14162 1 19 . 1 1 568 568 HIS H H 568 7.594 7.594 8.070 -0.476 18462 14163 1 19 . 1 1 569 569 ILE N N 569 120.858 120.858 119.488 1.370 18462 14164 1 19 . 1 1 569 569 ILE HA H 569 3.562 3.562 3.542 0.020 18462 14165 1 19 . 1 1 569 569 ILE C C 569 175.925 175.925 178.340 -2.415 18462 14166 1 19 . 1 1 569 569 ILE CA C 569 66.729 66.729 65.133 1.596 18462 14167 1 19 . 1 1 569 569 ILE CB C 569 37.198 37.198 37.720 -0.522 18462 14168 1 19 . 1 1 569 569 ILE H H 569 8.640 8.640 8.291 0.349 18462 14169 1 19 . 1 1 570 570 LYS N N 570 118.876 118.876 120.216 -1.340 18462 14170 1 19 . 1 1 570 570 LYS HA H 570 4.329 4.329 4.205 0.124 18462 14171 1 19 . 1 1 570 570 LYS C C 570 178.927 178.927 179.194 -0.267 18462 14172 1 19 . 1 1 570 570 LYS CA C 570 59.461 59.461 59.550 -0.089 18462 14173 1 19 . 1 1 570 570 LYS CB C 570 32.743 32.743 32.685 0.058 18462 14174 1 19 . 1 1 570 570 LYS H H 570 8.463 8.463 8.287 0.176 18462 14175 1 19 . 1 1 571 571 SER N N 571 112.612 112.612 114.303 -1.691 18462 14176 1 19 . 1 1 571 571 SER HA H 571 4.323 4.323 4.239 0.084 18462 14177 1 19 . 1 1 571 571 SER C C 571 179.258 179.258 175.954 3.304 18462 14178 1 19 . 1 1 571 571 SER CA C 571 59.930 59.930 61.311 -1.381 18462 14179 1 19 . 1 1 571 571 SER CB C 571 62.978 62.978 63.454 -0.476 18462 14180 1 19 . 1 1 571 571 SER H H 571 7.997 7.997 8.040 -0.043 18462 14181 1 19 . 1 1 572 572 VAL N N 572 120.208 120.208 121.455 -1.247 18462 14182 1 19 . 1 1 572 572 VAL HA H 572 3.789 3.789 3.838 -0.049 18462 14183 1 19 . 1 1 572 572 VAL C C 572 176.245 176.245 177.052 -0.807 18462 14184 1 19 . 1 1 572 572 VAL CA C 572 63.916 63.916 64.511 -0.595 18462 14185 1 19 . 1 1 572 572 VAL CB C 572 31.337 31.337 31.955 -0.618 18462 14186 1 19 . 1 1 572 572 VAL H H 572 8.615 8.615 8.157 0.458 18462 14187 1 19 . 1 1 573 573 HIS N N 573 113.735 113.735 115.581 -1.846 18462 14188 1 19 . 1 1 573 573 HIS HA H 573 5.102 5.102 4.733 0.369 18462 14189 1 19 . 1 1 573 573 HIS C C 573 177.042 177.042 175.480 1.562 18462 14190 1 19 . 1 1 573 573 HIS CA C 573 53.376 53.376 55.093 -1.717 18462 14191 1 19 . 1 1 573 573 HIS CB C 573 28.210 28.210 30.473 -2.263 18462 14192 1 19 . 1 1 573 573 HIS H H 573 7.067 7.067 7.431 -0.364 18462 14193 1 19 . 1 1 574 574 SER N N 574 112.537 112.537 114.614 -2.077 18462 14194 1 19 . 1 1 574 574 SER HA H 574 4.421 4.421 4.284 0.137 18462 14195 1 19 . 1 1 574 574 SER C C 574 174.525 174.525 173.701 0.824 18462 14196 1 19 . 1 1 574 574 SER CA C 574 58.054 58.054 59.668 -1.614 18462 14197 1 19 . 1 1 574 574 SER CB C 574 61.102 61.102 62.039 -0.937 18462 14198 1 19 . 1 1 574 574 SER H H 574 7.325 7.325 8.023 -0.698 18462 14199 1 19 . 1 1 575 575 GLN N N 575 117.032 117.032 118.868 -1.836 18462 14200 1 19 . 1 1 575 575 GLN HA H 575 4.659 4.659 4.532 0.127 18462 14201 1 19 . 1 1 575 575 GLN C C 575 173.993 173.993 173.525 0.468 18462 14202 1 19 . 1 1 575 575 GLN CA C 575 53.376 53.376 54.259 -0.883 18462 14203 1 19 . 1 1 575 575 GLN CB C 575 32.743 32.743 32.772 -0.029 18462 14204 1 19 . 1 1 575 575 GLN H H 575 7.480 7.480 7.321 0.159 18462 14205 1 19 . 1 1 576 576 ASP N N 576 118.953 118.953 120.801 -1.848 18462 14206 1 19 . 1 1 576 576 ASP HA H 576 4.992 4.992 4.928 0.064 18462 14207 1 19 . 1 1 576 576 ASP C C 576 173.387 173.387 176.076 -2.689 18462 14208 1 19 . 1 1 576 576 ASP CA C 576 50.094 50.094 50.714 -0.620 18462 14209 1 19 . 1 1 576 576 ASP CB C 576 41.301 41.301 41.074 0.227 18462 14210 1 19 . 1 1 576 576 ASP H H 576 8.173 8.173 8.354 -0.181 18462 14211 1 19 . 1 1 577 577 PRO HA H 577 4.629 4.629 4.652 -0.023 18462 14212 1 19 . 1 1 577 577 PRO CA C 577 63.212 63.212 64.746 -1.534 18462 14213 1 19 . 1 1 577 577 PRO CB C 577 31.806 31.806 32.445 -0.639 18462 14214 1 19 . 1 1 578 578 SER N N 578 114.986 114.986 112.017 2.969 18462 14215 1 19 . 1 1 578 578 SER HA H 578 4.820 4.820 4.533 0.287 18462 14216 1 19 . 1 1 578 578 SER C C 578 176.301 176.301 175.386 0.915 18462 14217 1 19 . 1 1 578 578 SER CA C 578 58.054 58.054 57.857 0.197 18462 14218 1 19 . 1 1 578 578 SER CB C 578 63.447 63.447 63.031 0.416 18462 14219 1 19 . 1 1 578 578 SER H H 578 8.387 8.387 8.356 0.031 18462 14220 1 19 . 1 1 579 579 GLY N N 579 111.279 111.279 110.162 1.117 18462 14221 1 19 . 1 1 579 579 GLY C C 579 175.262 175.262 173.664 1.598 18462 14222 1 19 . 1 1 579 579 GLY CA C 579 44.935 44.935 44.113 0.822 18462 14223 1 19 . 1 1 579 579 GLY H H 579 8.554 8.554 7.312 1.242 18462 14224 1 19 . 1 1 580 580 ASP N N 580 121.402 121.402 120.716 0.686 18462 14225 1 19 . 1 1 580 580 ASP HA H 580 4.700 4.700 4.657 0.043 18462 14226 1 19 . 1 1 580 580 ASP C C 580 174.329 174.329 175.619 -1.290 18462 14227 1 19 . 1 1 580 580 ASP CA C 580 53.845 53.845 55.205 -1.360 18462 14228 1 19 . 1 1 580 580 ASP CB C 580 40.012 40.012 38.812 1.200 18462 14229 1 19 . 1 1 580 580 ASP H H 580 8.386 8.386 8.417 -0.031 18462 14230 1 19 . 1 1 581 581 SER N N 581 115.668 115.668 117.075 -1.407 18462 14231 1 19 . 1 1 581 581 SER HA H 581 4.421 4.421 4.460 -0.039 18462 14232 1 19 . 1 1 581 581 SER C C 581 176.108 176.108 174.277 1.831 18462 14233 1 19 . 1 1 581 581 SER CA C 581 58.054 58.054 58.165 -0.111 18462 14234 1 19 . 1 1 581 581 SER CB C 581 63.212 63.212 64.447 -1.235 18462 14235 1 19 . 1 1 581 581 SER H H 581 8.015 8.015 7.994 0.021 18462 14236 1 19 . 1 1 582 582 LYS N N 582 120.544 120.544 121.083 -0.539 18462 14237 1 19 . 1 1 582 582 LYS HA H 582 4.329 4.329 3.899 0.430 18462 14238 1 19 . 1 1 582 582 LYS C C 582 174.302 174.302 175.523 -1.221 18462 14239 1 19 . 1 1 582 582 LYS CA C 582 55.944 55.944 57.031 -1.087 18462 14240 1 19 . 1 1 582 582 LYS CB C 582 30.868 30.868 30.061 0.807 18462 14241 1 19 . 1 1 582 582 LYS H H 582 8.453 8.453 8.325 0.128 18462 14242 1 19 . 1 1 583 583 LEU N N 583 119.514 119.514 118.271 1.243 18462 14243 1 19 . 1 1 583 583 LEU HA H 583 4.458 4.458 4.420 0.038 18462 14244 1 19 . 1 1 583 583 LEU C C 583 176.924 176.924 175.167 1.757 18462 14245 1 19 . 1 1 583 583 LEU CA C 583 54.303 54.303 54.292 0.011 18462 14246 1 19 . 1 1 583 583 LEU CB C 583 43.060 43.060 42.436 0.624 18462 14247 1 19 . 1 1 583 583 LEU H H 583 8.391 8.391 8.428 -0.037 18462 14248 1 19 . 1 1 584 584 TYR N N 584 115.291 115.291 114.599 0.692 18462 14249 1 19 . 1 1 584 584 TYR HA H 584 5.714 5.714 5.603 0.111 18462 14250 1 19 . 1 1 584 584 TYR C C 584 175.675 175.675 173.712 1.963 18462 14251 1 19 . 1 1 584 584 TYR CA C 584 54.303 54.303 55.026 -0.723 18462 14252 1 19 . 1 1 584 584 TYR CB C 584 42.420 42.420 41.975 0.445 18462 14253 1 19 . 1 1 584 584 TYR H H 584 7.625 7.625 7.091 0.534 18462 14254 1 19 . 1 1 585 585 ARG N N 585 120.321 120.321 121.417 -1.096 18462 14255 1 19 . 1 1 585 585 ARG HA H 585 4.407 4.407 4.675 -0.268 18462 14256 1 19 . 1 1 585 585 ARG C C 585 172.342 172.342 173.883 -1.541 18462 14257 1 19 . 1 1 585 585 ARG CA C 585 53.376 53.376 54.614 -1.238 18462 14258 1 19 . 1 1 585 585 ARG CB C 585 33.916 33.916 34.735 -0.819 18462 14259 1 19 . 1 1 585 585 ARG H H 585 9.141 9.141 9.018 0.123 18462 14260 1 19 . 1 1 586 586 LEU N N 586 129.013 129.013 127.475 1.538 18462 14261 1 19 . 1 1 586 586 LEU HA H 586 4.768 4.768 4.829 -0.061 18462 14262 1 19 . 1 1 586 586 LEU C C 586 173.449 173.449 175.325 -1.876 18462 14263 1 19 . 1 1 586 586 LEU CA C 586 52.438 52.438 53.396 -0.958 18462 14264 1 19 . 1 1 586 586 LEU CB C 586 41.653 41.653 43.676 -2.023 18462 14265 1 19 . 1 1 586 586 LEU H H 586 8.581 8.581 8.637 -0.056 18462 14266 1 19 . 1 1 587 587 HIS N N 587 127.447 127.447 125.414 2.033 18462 14267 1 19 . 1 1 587 587 HIS HA H 587 4.650 4.650 5.041 -0.391 18462 14268 1 19 . 1 1 587 587 HIS C C 587 175.512 175.512 173.411 2.101 18462 14269 1 19 . 1 1 587 587 HIS CA C 587 55.544 55.544 54.213 1.331 18462 14270 1 19 . 1 1 587 587 HIS CB C 587 29.930 29.930 31.248 -1.318 18462 14271 1 19 . 1 1 587 587 HIS H H 587 9.132 9.132 8.782 0.350 18462 14272 1 19 . 1 1 588 588 PRO HA H 588 4.441 4.441 4.644 -0.203 18462 14273 1 19 . 1 1 588 588 PRO CA C 588 62.509 62.509 63.156 -0.647 18462 14274 1 19 . 1 1 588 588 PRO CB C 588 31.688 31.688 32.566 -0.878 18462 14275 1 19 . 1 1 589 589 CYS N N 589 124.057 124.057 121.364 2.693 18462 14276 1 19 . 1 1 589 589 CYS HA H 589 4.275 4.275 4.503 -0.228 18462 14277 1 19 . 1 1 589 589 CYS C C 589 174.401 174.401 175.187 -0.786 18462 14278 1 19 . 1 1 589 589 CYS CA C 589 58.289 58.289 57.377 0.912 18462 14279 1 19 . 1 1 589 589 CYS CB C 589 26.413 26.413 29.534 -3.121 18462 14280 1 19 . 1 1 589 589 CYS H H 589 9.475 9.475 8.804 0.671 18462 14281 1 19 . 1 1 590 590 ARG N N 590 130.942 130.942 127.551 3.391 18462 14282 1 19 . 1 1 590 590 ARG HA H 590 4.689 4.689 4.623 0.066 18462 14283 1 19 . 1 1 590 590 ARG C C 590 175.091 175.091 176.859 -1.768 18462 14284 1 19 . 1 1 590 590 ARG CA C 590 55.241 55.241 56.063 -0.822 18462 14285 1 19 . 1 1 590 590 ARG CB C 590 30.633 30.633 31.058 -0.425 18462 14286 1 19 . 1 1 590 590 ARG H H 590 7.227 7.227 9.422 -2.195 18462 14287 1 19 . 1 1 591 591 SER N N 591 117.243 117.243 116.884 0.359 18462 14288 1 19 . 1 1 591 591 SER HA H 591 4.342 4.342 4.354 -0.012 18462 14289 1 19 . 1 1 591 591 SER C C 591 178.367 178.367 174.558 3.809 18462 14290 1 19 . 1 1 591 591 SER CA C 591 59.695 59.695 61.177 -1.482 18462 14291 1 19 . 1 1 591 591 SER CB C 591 61.923 61.923 63.961 -2.038 18462 14292 1 19 . 1 1 591 591 SER H H 591 9.571 9.571 8.916 0.655 18462 14293 1 19 . 1 1 592 592 LEU N N 592 121.308 121.308 117.297 4.011 18462 14294 1 19 . 1 1 592 592 LEU HA H 592 4.778 4.778 4.740 0.038 18462 14295 1 19 . 1 1 592 592 LEU C C 592 173.260 173.260 175.943 -2.683 18462 14296 1 19 . 1 1 592 592 LEU CA C 592 52.846 52.846 53.655 -0.809 18462 14297 1 19 . 1 1 592 592 LEU CB C 592 45.404 45.404 43.595 1.809 18462 14298 1 19 . 1 1 592 592 LEU H H 592 7.369 7.369 7.288 0.081 18462 14299 1 19 . 1 1 593 593 GLN N N 593 122.109 122.109 120.361 1.748 18462 14300 1 19 . 1 1 593 593 GLN HA H 593 4.564 4.564 4.561 0.003 18462 14301 1 19 . 1 1 593 593 GLN C C 593 175.827 175.827 175.355 0.472 18462 14302 1 19 . 1 1 593 593 GLN CA C 593 54.303 54.303 56.039 -1.736 18462 14303 1 19 . 1 1 593 593 GLN CB C 593 26.882 26.882 27.537 -0.655 18462 14304 1 19 . 1 1 593 593 GLN H H 593 8.599 8.599 8.594 0.005 18462 14305 1 19 . 1 1 594 594 ILE N N 594 118.085 118.085 118.568 -0.483 18462 14306 1 19 . 1 1 594 594 ILE HA H 594 4.755 4.755 4.607 0.148 18462 14307 1 19 . 1 1 594 594 ILE C C 594 175.093 175.093 174.700 0.393 18462 14308 1 19 . 1 1 594 594 ILE CA C 594 58.831 58.831 59.436 -0.605 18462 14309 1 19 . 1 1 594 594 ILE CB C 594 42.591 42.591 40.150 2.441 18462 14310 1 19 . 1 1 594 594 ILE H H 594 7.635 7.635 7.794 -0.159 18462 14311 1 19 . 1 1 595 595 ARG N N 595 123.800 123.800 121.570 2.230 18462 14312 1 19 . 1 1 595 595 ARG HA H 595 4.038 4.038 4.255 -0.217 18462 14313 1 19 . 1 1 595 595 ARG C C 595 175.440 175.440 175.018 0.422 18462 14314 1 19 . 1 1 595 595 ARG CA C 595 56.386 56.386 56.252 0.134 18462 14315 1 19 . 1 1 595 595 ARG CB C 595 30.516 30.516 30.901 -0.385 18462 14316 1 19 . 1 1 595 595 ARG H H 595 9.075 9.075 8.412 0.663 18462 14317 1 19 . 1 1 596 596 GLN N N 596 124.290 124.290 117.286 7.004 18462 14318 1 19 . 1 1 596 596 GLN HA H 596 4.420 4.420 4.347 0.073 18462 14319 1 19 . 1 1 596 596 GLN C C 596 174.630 174.630 174.474 0.156 18462 14320 1 19 . 1 1 596 596 GLN CA C 596 52.907 52.907 54.624 -1.717 18462 14321 1 19 . 1 1 596 596 GLN CB C 596 30.164 30.164 31.940 -1.776 18462 14322 1 19 . 1 1 596 596 GLN H H 596 8.495 8.495 8.261 0.234 18462 14323 1 19 . 1 1 597 597 TYR N N 597 121.829 121.829 118.449 3.380 18462 14324 1 19 . 1 1 597 597 TYR HA H 597 4.767 4.767 4.381 0.386 18462 14325 1 19 . 1 1 597 597 TYR C C 597 175.453 175.453 176.344 -0.891 18462 14326 1 19 . 1 1 597 597 TYR CA C 597 57.467 57.467 56.610 0.857 18462 14327 1 19 . 1 1 597 597 TYR CB C 597 38.839 38.839 38.731 0.108 18462 14328 1 19 . 1 1 597 597 TYR H H 597 7.966 7.966 8.503 -0.537 18462 14329 1 19 . 1 1 598 598 ALA N N 598 129.272 129.272 126.994 2.278 18462 14330 1 19 . 1 1 598 598 ALA HA H 598 4.191 4.191 4.027 0.164 18462 14331 1 19 . 1 1 598 598 ALA C C 598 177.425 177.425 177.979 -0.554 18462 14332 1 19 . 1 1 598 598 ALA CA C 598 54.040 54.040 54.355 -0.315 18462 14333 1 19 . 1 1 598 598 ALA CB C 598 17.749 17.749 18.095 -0.346 18462 14334 1 19 . 1 1 598 598 ALA H H 598 9.540 9.540 8.695 0.845 18462 14335 1 19 . 1 1 599 599 TYR N N 599 115.845 115.845 111.394 4.451 18462 14336 1 19 . 1 1 599 599 TYR HA H 599 4.560 4.560 4.552 0.008 18462 14337 1 19 . 1 1 599 599 TYR C C 599 173.276 173.276 175.795 -2.519 18462 14338 1 19 . 1 1 599 599 TYR CA C 599 58.172 58.172 57.538 0.634 18462 14339 1 19 . 1 1 599 599 TYR CB C 599 36.432 36.432 37.518 -1.086 18462 14340 1 19 . 1 1 599 599 TYR H H 599 8.496 8.496 7.557 0.939 18462 14341 1 19 . 1 1 600 600 LEU N N 600 120.764 120.764 117.373 3.391 18462 14342 1 19 . 1 1 600 600 LEU HA H 600 4.260 4.260 4.543 -0.283 18462 14343 1 19 . 1 1 600 600 LEU C C 600 176.164 176.164 178.324 -2.160 18462 14344 1 19 . 1 1 600 600 LEU CA C 600 54.303 54.303 55.053 -0.750 18462 14345 1 19 . 1 1 600 600 LEU CB C 600 41.419 41.419 41.672 -0.253 18462 14346 1 19 . 1 1 600 600 LEU H H 600 7.299 7.299 7.731 -0.432 18462 14347 1 19 . 1 1 601 601 SER N N 601 114.419 114.419 113.037 1.382 18462 14348 1 19 . 1 1 601 601 SER HA H 601 4.418 4.418 4.484 -0.066 18462 14349 1 19 . 1 1 601 601 SER C C 601 177.754 177.754 174.238 3.516 18462 14350 1 19 . 1 1 601 601 SER CA C 601 58.054 58.054 59.724 -1.671 18462 14351 1 19 . 1 1 601 601 SER CB C 601 63.212 63.212 64.308 -1.096 18462 14352 1 19 . 1 1 601 601 SER H H 601 7.896 7.896 7.548 0.348 18462 14353 1 19 . 1 1 602 602 ASP N N 602 122.293 122.293 119.565 2.728 18462 14354 1 19 . 1 1 602 602 ASP HA H 602 4.651 4.651 4.792 -0.141 18462 14355 1 19 . 1 1 602 602 ASP C C 602 174.087 174.087 174.334 -0.247 18462 14356 1 19 . 1 1 602 602 ASP CA C 602 53.845 53.845 53.270 0.575 18462 14357 1 19 . 1 1 602 602 ASP CB C 602 40.481 40.481 43.120 -2.639 18462 14358 1 19 . 1 1 602 602 ASP H H 602 8.257 8.257 7.542 0.715 18462 14359 1 19 . 1 1 603 603 ARG N N 603 121.398 121.398 121.920 -0.522 18462 14360 1 19 . 1 1 603 603 ARG HA H 603 4.454 4.454 4.206 0.248 18462 14361 1 19 . 1 1 603 603 ARG C C 603 176.111 176.111 176.898 -0.787 18462 14362 1 19 . 1 1 603 603 ARG CA C 603 55.241 55.241 57.438 -2.197 18462 14363 1 19 . 1 1 603 603 ARG CB C 603 30.164 30.164 30.767 -0.603 18462 14364 1 19 . 1 1 603 603 ARG H H 603 8.234 8.234 8.488 -0.254 18462 14365 1 20 . 1 1 473 473 ASN HA H 473 4.815 4.815 4.796 0.019 18462 14366 1 20 . 1 1 473 473 ASN CA C 473 52.204 52.204 53.045 -0.841 18462 14367 1 20 . 1 1 473 473 ASN CB C 473 38.371 38.371 39.351 -0.980 18462 14368 1 20 . 1 1 474 474 LYS N N 474 122.150 122.150 121.737 0.413 18462 14369 1 20 . 1 1 474 474 LYS HA H 474 4.375 4.375 4.212 0.163 18462 14370 1 20 . 1 1 474 474 LYS C C 474 174.965 174.965 175.873 -0.908 18462 14371 1 20 . 1 1 474 474 LYS CA C 474 55.944 55.944 56.459 -0.515 18462 14372 1 20 . 1 1 474 474 LYS CB C 474 32.405 32.405 33.169 -0.764 18462 14373 1 20 . 1 1 474 474 LYS H H 474 8.586 8.586 8.354 0.232 18462 14374 1 20 . 1 1 475 475 ARG N N 475 122.278 122.278 122.124 0.154 18462 14375 1 20 . 1 1 475 475 ARG HA H 475 4.374 4.374 4.671 -0.297 18462 14376 1 20 . 1 1 475 475 ARG C C 475 176.695 176.695 174.916 1.779 18462 14377 1 20 . 1 1 475 475 ARG CA C 475 55.944 55.944 55.947 -0.003 18462 14378 1 20 . 1 1 475 475 ARG CB C 475 30.164 30.164 31.729 -1.565 18462 14379 1 20 . 1 1 475 475 ARG H H 475 8.662 8.662 8.574 0.088 18462 14380 1 20 . 1 1 476 476 MET N N 476 122.046 122.046 122.270 -0.224 18462 14381 1 20 . 1 1 476 476 MET HA H 476 4.496 4.496 4.710 -0.214 18462 14382 1 20 . 1 1 476 476 MET C C 476 176.359 176.359 175.039 1.320 18462 14383 1 20 . 1 1 476 476 MET CA C 476 54.537 54.537 55.427 -0.890 18462 14384 1 20 . 1 1 476 476 MET CB C 476 32.509 32.509 34.367 -1.858 18462 14385 1 20 . 1 1 476 476 MET H H 476 8.490 8.490 8.421 0.069 18462 14386 1 20 . 1 1 477 477 LYS N N 477 123.768 123.768 124.799 -1.031 18462 14387 1 20 . 1 1 477 477 LYS HA H 477 4.384 4.384 4.766 -0.382 18462 14388 1 20 . 1 1 477 477 LYS C C 477 176.015 176.015 174.436 1.579 18462 14389 1 20 . 1 1 477 477 LYS CA C 477 55.834 55.834 56.421 -0.587 18462 14390 1 20 . 1 1 477 477 LYS CB C 477 32.107 32.107 32.195 -0.088 18462 14391 1 20 . 1 1 477 477 LYS H H 477 8.472 8.472 8.653 -0.181 18462 14392 1 20 . 1 1 478 478 VAL N N 478 122.460 122.460 117.046 5.414 18462 14393 1 20 . 1 1 478 478 VAL HA H 478 4.054 4.054 4.389 -0.335 18462 14394 1 20 . 1 1 478 478 VAL C C 478 176.320 176.320 175.288 1.032 18462 14395 1 20 . 1 1 478 478 VAL CA C 478 61.337 61.337 60.522 0.815 18462 14396 1 20 . 1 1 478 478 VAL CB C 478 32.275 32.275 33.090 -0.815 18462 14397 1 20 . 1 1 478 478 VAL H H 478 8.230 8.230 7.455 0.775 18462 14398 1 20 . 1 1 479 479 LYS N N 479 126.119 126.119 121.809 4.310 18462 14399 1 20 . 1 1 479 479 LYS HA H 479 4.365 4.365 4.225 0.140 18462 14400 1 20 . 1 1 479 479 LYS C C 479 175.605 175.605 175.526 0.079 18462 14401 1 20 . 1 1 479 479 LYS CA C 479 55.006 55.006 55.703 -0.696 18462 14402 1 20 . 1 1 479 479 LYS CB C 479 32.098 32.098 33.226 -1.128 18462 14403 1 20 . 1 1 479 479 LYS H H 479 8.453 8.453 8.149 0.304 18462 14404 1 20 . 1 1 480 480 HIS N N 480 121.065 121.065 118.921 2.144 18462 14405 1 20 . 1 1 480 480 HIS HA H 480 4.713 4.713 4.715 -0.002 18462 14406 1 20 . 1 1 480 480 HIS C C 480 175.937 175.937 175.048 0.889 18462 14407 1 20 . 1 1 480 480 HIS CA C 480 54.537 54.537 55.381 -0.844 18462 14408 1 20 . 1 1 480 480 HIS CB C 480 30.047 30.047 32.487 -2.440 18462 14409 1 20 . 1 1 480 480 HIS H H 480 8.559 8.559 8.238 0.321 18462 14410 1 20 . 1 1 481 481 ASP HA H 481 4.392 4.392 4.521 -0.129 18462 14411 1 20 . 1 1 481 481 ASP C C 481 174.413 174.413 175.632 -1.219 18462 14412 1 20 . 1 1 481 481 ASP CA C 481 52.907 52.907 53.425 -0.517 18462 14413 1 20 . 1 1 481 481 ASP CB C 481 39.543 39.543 39.527 0.016 18462 14414 1 20 . 1 1 482 482 ASP N N 482 118.362 118.362 119.468 -1.106 18462 14415 1 20 . 1 1 482 482 ASP HA H 482 4.710 4.710 4.559 0.151 18462 14416 1 20 . 1 1 482 482 ASP C C 482 175.104 175.104 175.056 0.048 18462 14417 1 20 . 1 1 482 482 ASP CA C 482 53.376 53.376 53.066 0.310 18462 14418 1 20 . 1 1 482 482 ASP CB C 482 39.308 39.308 40.652 -1.344 18462 14419 1 20 . 1 1 482 482 ASP H H 482 8.216 8.216 8.001 0.215 18462 14420 1 20 . 1 1 483 483 HIS N N 483 113.578 113.578 113.681 -0.103 18462 14421 1 20 . 1 1 483 483 HIS HA H 483 5.886 5.886 5.322 0.564 18462 14422 1 20 . 1 1 483 483 HIS C C 483 175.274 175.274 172.681 2.593 18462 14423 1 20 . 1 1 483 483 HIS CA C 483 55.241 55.241 55.640 -0.399 18462 14424 1 20 . 1 1 483 483 HIS CB C 483 32.040 32.040 31.361 0.679 18462 14425 1 20 . 1 1 483 483 HIS H H 483 7.692 7.692 7.295 0.397 18462 14426 1 20 . 1 1 484 484 TYR N N 484 116.271 116.271 114.490 1.781 18462 14427 1 20 . 1 1 484 484 TYR HA H 484 5.003 5.003 4.961 0.042 18462 14428 1 20 . 1 1 484 484 TYR C C 484 180.038 180.038 173.683 6.355 18462 14429 1 20 . 1 1 484 484 TYR CA C 484 55.241 55.241 56.427 -1.186 18462 14430 1 20 . 1 1 484 484 TYR CB C 484 39.777 39.777 40.352 -0.575 18462 14431 1 20 . 1 1 484 484 TYR H H 484 8.493 8.493 8.815 -0.322 18462 14432 1 20 . 1 1 485 485 GLU N N 485 120.840 120.840 121.141 -0.301 18462 14433 1 20 . 1 1 485 485 GLU HA H 485 5.301 5.301 5.327 -0.026 18462 14434 1 20 . 1 1 485 485 GLU C C 485 174.101 174.101 175.710 -1.609 18462 14435 1 20 . 1 1 485 485 GLU CA C 485 54.772 54.772 55.443 -0.671 18462 14436 1 20 . 1 1 485 485 GLU CB C 485 31.337 31.337 31.746 -0.409 18462 14437 1 20 . 1 1 485 485 GLU H H 485 8.873 8.873 8.696 0.177 18462 14438 1 20 . 1 1 486 486 LEU N N 486 125.807 125.807 126.539 -0.732 18462 14439 1 20 . 1 1 486 486 LEU HA H 486 4.762 4.762 4.831 -0.069 18462 14440 1 20 . 1 1 486 486 LEU C C 486 175.613 175.613 174.818 0.795 18462 14441 1 20 . 1 1 486 486 LEU CA C 486 53.645 53.645 54.436 -0.791 18462 14442 1 20 . 1 1 486 486 LEU CB C 486 45.873 45.873 45.346 0.527 18462 14443 1 20 . 1 1 486 486 LEU H H 486 8.957 8.957 8.949 0.008 18462 14444 1 20 . 1 1 487 487 ILE N N 487 125.332 125.332 127.690 -2.358 18462 14445 1 20 . 1 1 487 487 ILE HA H 487 5.007 5.007 4.507 0.500 18462 14446 1 20 . 1 1 487 487 ILE C C 487 174.543 174.543 175.582 -1.039 18462 14447 1 20 . 1 1 487 487 ILE CA C 487 59.695 59.695 61.292 -1.597 18462 14448 1 20 . 1 1 487 487 ILE CB C 487 37.433 37.433 38.229 -0.796 18462 14449 1 20 . 1 1 487 487 ILE H H 487 8.549 8.549 8.474 0.075 18462 14450 1 20 . 1 1 488 488 VAL N N 488 129.307 129.307 127.847 1.460 18462 14451 1 20 . 1 1 488 488 VAL HA H 488 4.304 4.304 4.152 0.152 18462 14452 1 20 . 1 1 488 488 VAL C C 488 176.678 176.678 175.233 1.445 18462 14453 1 20 . 1 1 488 488 VAL CA C 488 60.868 60.868 60.796 0.072 18462 14454 1 20 . 1 1 488 488 VAL CB C 488 33.681 33.681 34.795 -1.114 18462 14455 1 20 . 1 1 488 488 VAL H H 488 9.456 9.456 8.600 0.856 18462 14456 1 20 . 1 1 489 489 ASP N N 489 128.884 128.884 127.269 1.615 18462 14457 1 20 . 1 1 489 489 ASP HA H 489 4.301 4.301 4.253 0.048 18462 14458 1 20 . 1 1 489 489 ASP C C 489 176.084 176.084 177.070 -0.986 18462 14459 1 20 . 1 1 489 489 ASP CA C 489 54.537 54.537 54.712 -0.174 18462 14460 1 20 . 1 1 489 489 ASP CB C 489 39.074 39.074 40.447 -1.373 18462 14461 1 20 . 1 1 489 489 ASP H H 489 9.144 9.144 9.089 0.055 18462 14462 1 20 . 1 1 490 490 GLY N N 490 102.410 102.410 102.361 0.049 18462 14463 1 20 . 1 1 490 490 GLY C C 490 175.998 175.998 173.913 2.085 18462 14464 1 20 . 1 1 490 490 GLY CA C 490 44.818 44.818 45.447 -0.629 18462 14465 1 20 . 1 1 490 490 GLY H H 490 8.210 8.210 8.347 -0.137 18462 14466 1 20 . 1 1 491 491 ARG N N 491 122.605 122.605 120.172 2.433 18462 14467 1 20 . 1 1 491 491 ARG HA H 491 4.597 4.597 4.654 -0.057 18462 14468 1 20 . 1 1 491 491 ARG C C 491 173.256 173.256 175.045 -1.789 18462 14469 1 20 . 1 1 491 491 ARG CA C 491 53.610 53.610 54.231 -0.621 18462 14470 1 20 . 1 1 491 491 ARG CB C 491 32.040 32.040 32.196 -0.156 18462 14471 1 20 . 1 1 491 491 ARG H H 491 7.938 7.938 7.820 0.118 18462 14472 1 20 . 1 1 492 492 VAL N N 492 123.769 123.769 124.034 -0.265 18462 14473 1 20 . 1 1 492 492 VAL HA H 492 4.128 4.128 3.803 0.325 18462 14474 1 20 . 1 1 492 492 VAL C C 492 173.470 173.470 175.199 -1.729 18462 14475 1 20 . 1 1 492 492 VAL CA C 492 62.210 62.210 62.276 -0.066 18462 14476 1 20 . 1 1 492 492 VAL CB C 492 32.040 32.040 31.375 0.665 18462 14477 1 20 . 1 1 492 492 VAL H H 492 8.157 8.157 8.578 -0.421 18462 14478 1 20 . 1 1 493 493 TYR N N 493 124.842 124.842 126.657 -1.815 18462 14479 1 20 . 1 1 493 493 TYR HA H 493 4.632 4.632 4.636 -0.004 18462 14480 1 20 . 1 1 493 493 TYR C C 493 174.288 174.288 175.169 -0.881 18462 14481 1 20 . 1 1 493 493 TYR CA C 493 56.308 56.308 53.987 2.321 18462 14482 1 20 . 1 1 493 493 TYR CB C 493 40.481 40.481 40.288 0.193 18462 14483 1 20 . 1 1 493 493 TYR H H 493 8.981 8.981 8.719 0.262 18462 14484 1 20 . 1 1 494 494 TYR N N 494 120.511 120.511 119.612 0.899 18462 14485 1 20 . 1 1 494 494 TYR HA H 494 4.763 4.763 5.191 -0.428 18462 14486 1 20 . 1 1 494 494 TYR C C 494 173.811 173.811 175.441 -1.630 18462 14487 1 20 . 1 1 494 494 TYR CA C 494 56.764 56.764 56.652 0.112 18462 14488 1 20 . 1 1 494 494 TYR CB C 494 38.722 38.722 39.277 -0.555 18462 14489 1 20 . 1 1 494 494 TYR H H 494 9.235 9.235 9.159 0.076 18462 14490 1 20 . 1 1 495 495 ILE N N 495 124.930 124.930 123.166 1.764 18462 14491 1 20 . 1 1 495 495 ILE HA H 495 4.780 4.780 4.931 -0.151 18462 14492 1 20 . 1 1 495 495 ILE C C 495 174.764 174.764 175.419 -0.655 18462 14493 1 20 . 1 1 495 495 ILE CA C 495 57.714 57.714 59.167 -1.453 18462 14494 1 20 . 1 1 495 495 ILE CB C 495 36.729 36.729 40.626 -3.897 18462 14495 1 20 . 1 1 495 495 ILE H H 495 9.136 9.136 9.146 -0.010 18462 14496 1 20 . 1 1 496 496 CYS N N 496 127.535 127.535 127.508 0.027 18462 14497 1 20 . 1 1 496 496 CYS HA H 496 4.745 4.745 4.798 -0.053 18462 14498 1 20 . 1 1 496 496 CYS C C 496 176.128 176.128 176.974 -0.846 18462 14499 1 20 . 1 1 496 496 CYS CA C 496 60.574 60.574 58.855 1.719 18462 14500 1 20 . 1 1 496 496 CYS CB C 496 29.227 29.227 28.113 1.114 18462 14501 1 20 . 1 1 496 496 CYS H H 496 9.016 9.016 8.560 0.456 18462 14502 1 20 . 1 1 497 497 ILE N N 497 129.645 129.645 126.403 3.242 18462 14503 1 20 . 1 1 497 497 ILE HA H 497 4.176 4.176 4.238 -0.062 18462 14504 1 20 . 1 1 497 497 ILE C C 497 177.925 177.925 176.894 1.031 18462 14505 1 20 . 1 1 497 497 ILE CA C 497 63.447 63.447 64.538 -1.091 18462 14506 1 20 . 1 1 497 497 ILE CB C 497 39.543 39.543 37.844 1.699 18462 14507 1 20 . 1 1 497 497 ILE H H 497 8.295 8.295 8.413 -0.118 18462 14508 1 20 . 1 1 498 498 VAL N N 498 123.791 123.791 121.747 2.044 18462 14509 1 20 . 1 1 498 498 VAL HA H 498 3.939 3.939 3.753 0.186 18462 14510 1 20 . 1 1 498 498 VAL C C 498 176.127 176.127 177.392 -1.265 18462 14511 1 20 . 1 1 498 498 VAL CA C 498 64.619 64.619 65.518 -0.899 18462 14512 1 20 . 1 1 498 498 VAL CB C 498 32.275 32.275 31.292 0.983 18462 14513 1 20 . 1 1 498 498 VAL H H 498 8.993 8.993 8.304 0.689 18462 14514 1 20 . 1 1 499 499 CYS N N 499 117.267 117.267 111.669 5.598 18462 14515 1 20 . 1 1 499 499 CYS HA H 499 5.157 5.157 4.843 0.314 18462 14516 1 20 . 1 1 499 499 CYS C C 499 177.106 177.106 174.948 2.158 18462 14517 1 20 . 1 1 499 499 CYS CA C 499 57.820 57.820 57.333 0.487 18462 14518 1 20 . 1 1 499 499 CYS CB C 499 31.571 31.571 29.507 2.064 18462 14519 1 20 . 1 1 499 499 CYS H H 499 8.307 8.307 8.010 0.297 18462 14520 1 20 . 1 1 500 500 LYS N N 500 117.950 117.950 118.947 -0.997 18462 14521 1 20 . 1 1 500 500 LYS HA H 500 4.306 4.306 4.087 0.219 18462 14522 1 20 . 1 1 500 500 LYS C C 500 175.869 175.869 175.511 0.358 18462 14523 1 20 . 1 1 500 500 LYS CA C 500 57.585 57.585 57.248 0.337 18462 14524 1 20 . 1 1 500 500 LYS CB C 500 28.289 28.289 29.707 -1.418 18462 14525 1 20 . 1 1 500 500 LYS H H 500 8.169 8.169 8.224 -0.055 18462 14526 1 20 . 1 1 501 501 ARG N N 501 121.270 121.270 119.762 1.508 18462 14527 1 20 . 1 1 501 501 ARG HA H 501 4.090 4.090 4.167 -0.077 18462 14528 1 20 . 1 1 501 501 ARG C C 501 175.587 175.587 175.549 0.038 18462 14529 1 20 . 1 1 501 501 ARG CA C 501 58.289 58.289 55.924 2.365 18462 14530 1 20 . 1 1 501 501 ARG CB C 501 29.694 29.694 31.190 -1.496 18462 14531 1 20 . 1 1 501 501 ARG H H 501 8.071 8.071 7.778 0.293 18462 14532 1 20 . 1 1 502 502 SER N N 502 112.997 112.997 117.914 -4.917 18462 14533 1 20 . 1 1 502 502 SER HA H 502 5.003 5.003 4.680 0.323 18462 14534 1 20 . 1 1 502 502 SER C C 502 174.417 174.417 173.291 1.126 18462 14535 1 20 . 1 1 502 502 SER CA C 502 55.475 55.475 57.315 -1.840 18462 14536 1 20 . 1 1 502 502 SER CB C 502 65.088 65.088 64.150 0.938 18462 14537 1 20 . 1 1 502 502 SER H H 502 7.553 7.553 8.202 -0.649 18462 14538 1 20 . 1 1 503 503 TYR N N 503 121.115 121.115 123.926 -2.811 18462 14539 1 20 . 1 1 503 503 TYR HA H 503 4.996 4.996 4.628 0.368 18462 14540 1 20 . 1 1 503 503 TYR C C 503 173.707 173.707 175.804 -2.097 18462 14541 1 20 . 1 1 503 503 TYR CA C 503 57.585 57.585 57.686 -0.101 18462 14542 1 20 . 1 1 503 503 TYR CB C 503 42.244 42.244 41.694 0.550 18462 14543 1 20 . 1 1 503 503 TYR H H 503 8.958 8.958 8.798 0.160 18462 14544 1 20 . 1 1 504 504 VAL N N 504 119.390 119.390 120.638 -1.248 18462 14545 1 20 . 1 1 504 504 VAL HA H 504 4.376 4.376 4.091 0.285 18462 14546 1 20 . 1 1 504 504 VAL C C 504 176.390 176.390 175.824 0.566 18462 14547 1 20 . 1 1 504 504 VAL CA C 504 62.275 62.275 63.849 -1.574 18462 14548 1 20 . 1 1 504 504 VAL CB C 504 33.025 33.025 32.569 0.457 18462 14549 1 20 . 1 1 504 504 VAL H H 504 9.988 9.988 8.654 1.334 18462 14550 1 20 . 1 1 505 505 CYS N N 505 113.800 113.800 116.892 -3.092 18462 14551 1 20 . 1 1 505 505 CYS HA H 505 4.998 4.998 4.770 0.228 18462 14552 1 20 . 1 1 505 505 CYS C C 505 176.603 176.603 175.147 1.456 18462 14553 1 20 . 1 1 505 505 CYS CA C 505 56.647 56.647 57.965 -1.318 18462 14554 1 20 . 1 1 505 505 CYS CB C 505 38.406 38.406 31.174 7.232 18462 14555 1 20 . 1 1 505 505 CYS H H 505 7.518 7.518 7.803 -0.285 18462 14556 1 20 . 1 1 506 506 LEU N N 506 129.535 129.535 124.687 4.848 18462 14557 1 20 . 1 1 506 506 LEU HA H 506 3.325 3.325 3.623 -0.298 18462 14558 1 20 . 1 1 506 506 LEU C C 506 174.727 174.727 178.026 -3.299 18462 14559 1 20 . 1 1 506 506 LEU CA C 506 56.647 56.647 58.085 -1.438 18462 14560 1 20 . 1 1 506 506 LEU CB C 506 39.308 39.308 41.125 -1.817 18462 14561 1 20 . 1 1 506 506 LEU H H 506 8.602 8.602 8.760 -0.158 18462 14562 1 20 . 1 1 507 507 THR N N 507 108.833 108.833 110.722 -1.889 18462 14563 1 20 . 1 1 507 507 THR HA H 507 3.820 3.820 3.881 -0.061 18462 14564 1 20 . 1 1 507 507 THR C C 507 178.905 178.905 177.072 1.833 18462 14565 1 20 . 1 1 507 507 THR CA C 507 64.150 64.150 66.181 -2.031 18462 14566 1 20 . 1 1 507 507 THR CB C 507 66.260 66.260 67.725 -1.465 18462 14567 1 20 . 1 1 507 507 THR H H 507 8.087 8.087 8.192 -0.105 18462 14568 1 20 . 1 1 508 508 SER N N 508 119.009 119.009 118.525 0.484 18462 14569 1 20 . 1 1 508 508 SER HA H 508 4.123 4.123 4.122 0.001 18462 14570 1 20 . 1 1 508 508 SER C C 508 178.467 178.467 176.132 2.335 18462 14571 1 20 . 1 1 508 508 SER CA C 508 59.461 59.461 61.066 -1.605 18462 14572 1 20 . 1 1 508 508 SER CB C 508 62.978 62.978 62.765 0.213 18462 14573 1 20 . 1 1 508 508 SER H H 508 7.230 7.230 7.496 -0.266 18462 14574 1 20 . 1 1 509 509 LEU N N 509 127.365 127.365 123.744 3.621 18462 14575 1 20 . 1 1 509 509 LEU HA H 509 3.216 3.216 3.381 -0.165 18462 14576 1 20 . 1 1 509 509 LEU C C 509 176.740 176.740 177.494 -0.754 18462 14577 1 20 . 1 1 509 509 LEU CA C 509 57.351 57.351 57.892 -0.541 18462 14578 1 20 . 1 1 509 509 LEU CB C 509 39.074 39.074 41.700 -2.626 18462 14579 1 20 . 1 1 509 509 LEU H H 509 7.114 7.114 7.255 -0.141 18462 14580 1 20 . 1 1 510 510 ARG N N 510 119.955 119.955 118.152 1.803 18462 14581 1 20 . 1 1 510 510 ARG HA H 510 3.843 3.843 3.921 -0.078 18462 14582 1 20 . 1 1 510 510 ARG C C 510 178.472 178.472 178.921 -0.449 18462 14583 1 20 . 1 1 510 510 ARG CA C 510 61.766 61.766 58.101 3.665 18462 14584 1 20 . 1 1 510 510 ARG CB C 510 28.992 28.992 28.848 0.144 18462 14585 1 20 . 1 1 510 510 ARG H H 510 8.100 8.100 8.319 -0.218 18462 14586 1 20 . 1 1 511 511 ARG N N 511 120.947 120.947 118.611 2.336 18462 14587 1 20 . 1 1 511 511 ARG HA H 511 4.078 4.078 3.949 0.129 18462 14588 1 20 . 1 1 511 511 ARG C C 511 178.262 178.262 178.527 -0.265 18462 14589 1 20 . 1 1 511 511 ARG CA C 511 59.054 59.054 59.012 0.042 18462 14590 1 20 . 1 1 511 511 ARG CB C 511 29.695 29.695 29.997 -0.302 18462 14591 1 20 . 1 1 511 511 ARG H H 511 7.802 7.802 7.755 0.047 18462 14592 1 20 . 1 1 512 512 HIS N N 512 116.820 116.820 118.912 -2.092 18462 14593 1 20 . 1 1 512 512 HIS HA H 512 4.219 4.219 4.250 -0.031 18462 14594 1 20 . 1 1 512 512 HIS C C 512 178.069 178.069 177.144 0.925 18462 14595 1 20 . 1 1 512 512 HIS CA C 512 57.507 57.507 58.762 -1.255 18462 14596 1 20 . 1 1 512 512 HIS CB C 512 27.390 27.390 29.815 -2.425 18462 14597 1 20 . 1 1 512 512 HIS H H 512 7.809 7.809 7.900 -0.091 18462 14598 1 20 . 1 1 513 513 PHE N N 513 118.415 118.415 120.710 -2.295 18462 14599 1 20 . 1 1 513 513 PHE HA H 513 3.620 3.620 3.913 -0.293 18462 14600 1 20 . 1 1 513 513 PHE C C 513 176.026 176.026 176.620 -0.594 18462 14601 1 20 . 1 1 513 513 PHE CA C 513 61.102 61.102 61.536 -0.434 18462 14602 1 20 . 1 1 513 513 PHE CB C 513 38.996 38.996 38.938 0.058 18462 14603 1 20 . 1 1 513 513 PHE H H 513 8.898 8.898 8.784 0.114 18462 14604 1 20 . 1 1 514 514 ASN N N 514 114.080 114.080 118.975 -4.895 18462 14605 1 20 . 1 1 514 514 ASN HA H 514 4.988 4.988 4.282 0.706 18462 14606 1 20 . 1 1 514 514 ASN C C 514 176.236 176.236 177.231 -0.995 18462 14607 1 20 . 1 1 514 514 ASN CA C 514 55.006 55.006 55.854 -0.848 18462 14608 1 20 . 1 1 514 514 ASN CB C 514 40.129 40.129 38.490 1.639 18462 14609 1 20 . 1 1 514 514 ASN H H 514 8.678 8.678 7.668 1.010 18462 14610 1 20 . 1 1 515 515 ILE N N 515 114.035 114.035 118.597 -4.562 18462 14611 1 20 . 1 1 515 515 ILE HA H 515 2.997 2.997 3.074 -0.077 18462 14612 1 20 . 1 1 515 515 ILE C C 515 176.292 176.292 176.544 -0.252 18462 14613 1 20 . 1 1 515 515 ILE CA C 515 63.447 63.447 63.541 -0.094 18462 14614 1 20 . 1 1 515 515 ILE CB C 515 37.198 37.198 37.388 -0.190 18462 14615 1 20 . 1 1 515 515 ILE H H 515 7.919 7.919 7.751 0.168 18462 14616 1 20 . 1 1 516 516 HIS N N 516 113.136 113.136 116.981 -3.845 18462 14617 1 20 . 1 1 516 516 HIS HA H 516 4.767 4.767 4.489 0.278 18462 14618 1 20 . 1 1 516 516 HIS C C 516 175.870 175.870 177.289 -1.419 18462 14619 1 20 . 1 1 516 516 HIS CA C 516 54.542 54.542 57.955 -3.413 18462 14620 1 20 . 1 1 516 516 HIS CB C 516 27.585 27.585 30.026 -2.441 18462 14621 1 20 . 1 1 516 516 HIS H H 516 7.170 7.170 7.413 -0.243 18462 14622 1 20 . 1 1 517 517 SER N N 517 112.852 112.852 114.414 -1.562 18462 14623 1 20 . 1 1 517 517 SER HA H 517 4.359 4.359 4.333 0.026 18462 14624 1 20 . 1 1 517 517 SER C C 517 177.067 177.067 175.745 1.322 18462 14625 1 20 . 1 1 517 517 SER CA C 517 58.758 58.758 60.732 -1.974 18462 14626 1 20 . 1 1 517 517 SER CB C 517 63.447 63.447 63.954 -0.507 18462 14627 1 20 . 1 1 517 517 SER H H 517 7.886 7.886 7.757 0.129 18462 14628 1 20 . 1 1 518 518 TRP N N 518 122.824 122.824 118.943 3.881 18462 14629 1 20 . 1 1 518 518 TRP HA H 518 4.005 4.005 4.373 -0.368 18462 14630 1 20 . 1 1 518 518 TRP C C 518 175.133 175.133 175.812 -0.679 18462 14631 1 20 . 1 1 518 518 TRP CA C 518 57.820 57.820 58.367 -0.547 18462 14632 1 20 . 1 1 518 518 TRP CB C 518 25.710 25.710 26.951 -1.241 18462 14633 1 20 . 1 1 518 518 TRP H H 518 9.274 9.274 7.793 1.481 18462 14634 1 20 . 1 1 519 519 GLU N N 519 119.673 119.673 117.676 1.997 18462 14635 1 20 . 1 1 519 519 GLU HA H 519 4.042 4.042 4.207 -0.165 18462 14636 1 20 . 1 1 519 519 GLU C C 519 175.353 175.353 176.627 -1.274 18462 14637 1 20 . 1 1 519 519 GLU CA C 519 58.758 58.758 58.052 0.706 18462 14638 1 20 . 1 1 519 519 GLU CB C 519 29.695 29.695 30.547 -0.852 18462 14639 1 20 . 1 1 519 519 GLU H H 519 7.828 7.828 7.749 0.079 18462 14640 1 20 . 1 1 520 520 LYS N N 520 118.358 118.358 119.370 -1.012 18462 14641 1 20 . 1 1 520 520 LYS HA H 520 4.544 4.544 4.420 0.124 18462 14642 1 20 . 1 1 520 520 LYS C C 520 178.036 178.036 174.935 3.101 18462 14643 1 20 . 1 1 520 520 LYS CA C 520 53.845 53.845 55.156 -1.311 18462 14644 1 20 . 1 1 520 520 LYS CB C 520 34.385 34.385 33.767 0.618 18462 14645 1 20 . 1 1 520 520 LYS H H 520 9.085 9.085 8.109 0.976 18462 14646 1 20 . 1 1 521 521 LYS N N 521 118.859 118.859 120.759 -1.900 18462 14647 1 20 . 1 1 521 521 LYS HA H 521 4.658 4.658 4.536 0.122 18462 14648 1 20 . 1 1 521 521 LYS C C 521 175.168 175.168 175.740 -0.572 18462 14649 1 20 . 1 1 521 521 LYS CA C 521 54.537 54.537 55.096 -0.559 18462 14650 1 20 . 1 1 521 521 LYS CB C 521 35.323 35.323 34.187 1.136 18462 14651 1 20 . 1 1 521 521 LYS H H 521 8.238 8.238 8.183 0.055 18462 14652 1 20 . 1 1 522 522 TYR N N 522 117.305 117.305 118.803 -1.498 18462 14653 1 20 . 1 1 522 522 TYR HA H 522 5.028 5.028 4.924 0.104 18462 14654 1 20 . 1 1 522 522 TYR C C 522 175.016 175.016 173.893 1.123 18462 14655 1 20 . 1 1 522 522 TYR CA C 522 54.537 54.537 55.418 -0.881 18462 14656 1 20 . 1 1 522 522 TYR CB C 522 37.198 37.198 38.581 -1.383 18462 14657 1 20 . 1 1 522 522 TYR H H 522 7.788 7.788 8.893 -1.105 18462 14658 1 20 . 1 1 523 523 PRO HA H 523 5.026 5.026 4.732 0.294 18462 14659 1 20 . 1 1 523 523 PRO CA C 523 61.806 61.806 62.468 -0.662 18462 14660 1 20 . 1 1 523 523 PRO CB C 523 31.839 31.839 31.816 0.023 18462 14661 1 20 . 1 1 524 524 CYS N N 524 126.569 126.569 126.521 0.048 18462 14662 1 20 . 1 1 524 524 CYS HA H 524 4.739 4.739 4.768 -0.029 18462 14663 1 20 . 1 1 524 524 CYS C C 524 176.841 176.841 176.349 0.492 18462 14664 1 20 . 1 1 524 524 CYS CA C 524 60.290 60.290 59.430 0.860 18462 14665 1 20 . 1 1 524 524 CYS CB C 524 29.344 29.344 29.080 0.264 18462 14666 1 20 . 1 1 524 524 CYS H H 524 9.210 9.210 8.619 0.591 18462 14667 1 20 . 1 1 525 525 ARG N N 525 130.294 130.294 125.579 4.715 18462 14668 1 20 . 1 1 525 525 ARG HA H 525 4.285 4.285 4.126 0.159 18462 14669 1 20 . 1 1 525 525 ARG C C 525 176.390 176.390 177.632 -1.242 18462 14670 1 20 . 1 1 525 525 ARG CA C 525 58.043 58.043 57.193 0.850 18462 14671 1 20 . 1 1 525 525 ARG CB C 525 27.576 27.576 29.832 -2.256 18462 14672 1 20 . 1 1 525 525 ARG H H 525 9.724 9.724 9.447 0.277 18462 14673 1 20 . 1 1 526 526 TYR N N 526 122.622 122.622 115.855 6.767 18462 14674 1 20 . 1 1 526 526 TYR HA H 526 4.517 4.517 4.355 0.162 18462 14675 1 20 . 1 1 526 526 TYR C C 526 176.659 176.659 175.955 0.704 18462 14676 1 20 . 1 1 526 526 TYR CA C 526 58.054 58.054 58.006 0.048 18462 14677 1 20 . 1 1 526 526 TYR CB C 526 37.628 37.628 38.076 -0.448 18462 14678 1 20 . 1 1 526 526 TYR H H 526 10.439 10.439 8.262 2.177 18462 14679 1 20 . 1 1 527 527 CYS N N 527 122.873 122.873 115.524 7.349 18462 14680 1 20 . 1 1 527 527 CYS HA H 527 5.153 5.153 4.935 0.218 18462 14681 1 20 . 1 1 527 527 CYS C C 527 175.243 175.243 174.486 0.757 18462 14682 1 20 . 1 1 527 527 CYS CA C 527 58.148 58.148 56.110 2.038 18462 14683 1 20 . 1 1 527 527 CYS CB C 527 30.164 30.164 31.309 -1.145 18462 14684 1 20 . 1 1 527 527 CYS H H 527 8.462 8.462 7.553 0.909 18462 14685 1 20 . 1 1 528 528 GLU N N 528 115.906 115.906 118.289 -2.383 18462 14686 1 20 . 1 1 528 528 GLU HA H 528 4.453 4.453 4.259 0.194 18462 14687 1 20 . 1 1 528 528 GLU C C 528 173.484 173.484 176.508 -3.024 18462 14688 1 20 . 1 1 528 528 GLU CA C 528 57.390 57.390 56.579 0.811 18462 14689 1 20 . 1 1 528 528 GLU CB C 528 29.608 29.608 29.014 0.594 18462 14690 1 20 . 1 1 528 528 GLU H H 528 8.704 8.704 8.638 0.066 18462 14691 1 20 . 1 1 529 529 LYS N N 529 125.068 125.068 120.951 4.117 18462 14692 1 20 . 1 1 529 529 LYS HA H 529 4.041 4.041 4.298 -0.257 18462 14693 1 20 . 1 1 529 529 LYS C C 529 176.881 176.881 174.869 2.012 18462 14694 1 20 . 1 1 529 529 LYS CA C 529 57.585 57.585 56.173 1.412 18462 14695 1 20 . 1 1 529 529 LYS CB C 529 33.212 33.212 33.633 -0.421 18462 14696 1 20 . 1 1 529 529 LYS H H 529 8.696 8.696 7.558 1.138 18462 14697 1 20 . 1 1 530 530 VAL N N 530 119.525 119.525 120.932 -1.407 18462 14698 1 20 . 1 1 530 530 VAL HA H 530 4.541 4.541 4.263 0.278 18462 14699 1 20 . 1 1 530 530 VAL C C 530 175.118 175.118 175.261 -0.143 18462 14700 1 20 . 1 1 530 530 VAL CA C 530 60.633 60.633 61.497 -0.864 18462 14701 1 20 . 1 1 530 530 VAL CB C 530 34.150 34.150 34.115 0.035 18462 14702 1 20 . 1 1 530 530 VAL H H 530 8.054 8.054 8.287 -0.233 18462 14703 1 20 . 1 1 531 531 PHE N N 531 122.568 122.568 125.663 -3.095 18462 14704 1 20 . 1 1 531 531 PHE C C 531 174.185 174.185 174.745 -0.560 18462 14705 1 20 . 1 1 531 531 PHE CA C 531 55.586 55.586 55.283 0.303 18462 14706 1 20 . 1 1 531 531 PHE CB C 531 41.184 41.184 40.812 0.372 18462 14707 1 20 . 1 1 531 531 PHE H H 531 8.167 8.167 8.475 -0.308 18462 14708 1 20 . 1 1 532 532 PRO HA H 532 4.359 4.359 4.145 0.214 18462 14709 1 20 . 1 1 532 532 PRO CA C 532 62.216 62.216 63.030 -0.814 18462 14710 1 20 . 1 1 532 532 PRO CB C 532 29.930 29.930 31.907 -1.977 18462 14711 1 20 . 1 1 533 533 LEU N N 533 122.335 122.335 118.046 4.289 18462 14712 1 20 . 1 1 533 533 LEU HA H 533 4.086 4.086 4.307 -0.221 18462 14713 1 20 . 1 1 533 533 LEU C C 533 175.091 175.091 176.389 -1.298 18462 14714 1 20 . 1 1 533 533 LEU CA C 533 55.006 55.006 53.012 1.994 18462 14715 1 20 . 1 1 533 533 LEU CB C 533 43.529 43.529 44.372 -0.843 18462 14716 1 20 . 1 1 533 533 LEU H H 533 6.587 6.587 7.464 -0.877 18462 14717 1 20 . 1 1 534 534 ALA N N 534 126.722 126.722 126.116 0.606 18462 14718 1 20 . 1 1 534 534 ALA HA H 534 2.993 2.993 2.875 0.118 18462 14719 1 20 . 1 1 534 534 ALA C C 534 175.439 175.439 178.318 -2.879 18462 14720 1 20 . 1 1 534 534 ALA CA C 534 54.537 54.537 54.880 -0.343 18462 14721 1 20 . 1 1 534 534 ALA CB C 534 18.452 18.452 18.442 0.010 18462 14722 1 20 . 1 1 534 534 ALA H H 534 7.698 7.698 8.268 -0.570 18462 14723 1 20 . 1 1 535 535 GLU N N 535 119.354 119.354 117.727 1.627 18462 14724 1 20 . 1 1 535 535 GLU HA H 535 4.675 4.675 3.996 0.679 18462 14725 1 20 . 1 1 535 535 GLU C C 535 180.126 180.126 177.838 2.288 18462 14726 1 20 . 1 1 535 535 GLU CA C 535 58.526 58.526 59.073 -0.547 18462 14727 1 20 . 1 1 535 535 GLU H H 535 9.535 9.535 8.293 1.242 18462 14728 1 20 . 1 1 536 536 TYR N N 536 114.592 114.592 120.140 -5.548 18462 14729 1 20 . 1 1 536 536 TYR HA H 536 4.368 4.368 4.153 0.215 18462 14730 1 20 . 1 1 536 536 TYR C C 536 178.004 178.004 177.855 0.149 18462 14731 1 20 . 1 1 536 536 TYR CA C 536 56.179 56.179 58.070 -1.891 18462 14732 1 20 . 1 1 536 536 TYR CB C 536 35.556 35.556 37.205 -1.649 18462 14733 1 20 . 1 1 536 536 TYR H H 536 6.552 6.552 7.971 -1.419 18462 14734 1 20 . 1 1 537 537 ARG N N 537 119.820 119.820 120.256 -0.436 18462 14735 1 20 . 1 1 537 537 ARG HA H 537 3.209 3.209 3.569 -0.360 18462 14736 1 20 . 1 1 537 537 ARG C C 537 179.469 179.469 178.090 1.379 18462 14737 1 20 . 1 1 537 537 ARG CA C 537 59.131 59.131 59.600 -0.469 18462 14738 1 20 . 1 1 537 537 ARG CB C 537 27.179 27.179 29.702 -2.523 18462 14739 1 20 . 1 1 537 537 ARG H H 537 7.016 7.016 7.545 -0.529 18462 14740 1 20 . 1 1 538 538 THR N N 538 120.080 120.080 117.336 2.744 18462 14741 1 20 . 1 1 538 538 THR HA H 538 3.939 3.939 4.017 -0.078 18462 14742 1 20 . 1 1 538 538 THR C C 538 177.538 177.538 177.047 0.491 18462 14743 1 20 . 1 1 538 538 THR CA C 538 66.026 66.026 67.006 -0.980 18462 14744 1 20 . 1 1 538 538 THR CB C 538 66.964 66.964 68.272 -1.308 18462 14745 1 20 . 1 1 538 538 THR H H 538 8.410 8.410 8.387 0.023 18462 14746 1 20 . 1 1 539 539 LYS N N 539 117.252 117.252 119.398 -2.146 18462 14747 1 20 . 1 1 539 539 LYS HA H 539 4.054 4.054 4.176 -0.122 18462 14748 1 20 . 1 1 539 539 LYS C C 539 176.139 176.139 178.833 -2.694 18462 14749 1 20 . 1 1 539 539 LYS CA C 539 57.116 57.116 58.276 -1.160 18462 14750 1 20 . 1 1 539 539 LYS CB C 539 31.859 31.859 31.756 0.103 18462 14751 1 20 . 1 1 539 539 LYS H H 539 8.012 8.012 8.372 -0.360 18462 14752 1 20 . 1 1 540 540 HIS N N 540 118.983 118.983 119.430 -0.447 18462 14753 1 20 . 1 1 540 540 HIS HA H 540 4.548 4.548 4.315 0.233 18462 14754 1 20 . 1 1 540 540 HIS C C 540 179.568 179.568 177.263 2.305 18462 14755 1 20 . 1 1 540 540 HIS CA C 540 58.758 58.758 59.357 -0.599 18462 14756 1 20 . 1 1 540 540 HIS CB C 540 28.260 28.260 29.787 -1.527 18462 14757 1 20 . 1 1 540 540 HIS H H 540 7.536 7.536 7.707 -0.171 18462 14758 1 20 . 1 1 541 541 GLU N N 541 122.073 122.073 119.737 2.336 18462 14759 1 20 . 1 1 541 541 GLU HA H 541 4.215 4.215 4.232 -0.017 18462 14760 1 20 . 1 1 541 541 GLU C C 541 177.829 177.829 178.805 -0.976 18462 14761 1 20 . 1 1 541 541 GLU CA C 541 61.181 61.181 59.117 2.064 18462 14762 1 20 . 1 1 541 541 GLU CB C 541 29.712 29.712 29.698 0.014 18462 14763 1 20 . 1 1 541 541 GLU H H 541 9.540 9.540 8.389 1.151 18462 14764 1 20 . 1 1 542 542 ILE N N 542 121.307 121.307 120.162 1.145 18462 14765 1 20 . 1 1 542 542 ILE HA H 542 4.335 4.335 3.818 0.517 18462 14766 1 20 . 1 1 542 542 ILE C C 542 179.666 179.666 177.644 2.022 18462 14767 1 20 . 1 1 542 542 ILE CA C 542 61.806 61.806 65.092 -3.286 18462 14768 1 20 . 1 1 542 542 ILE CB C 542 36.729 36.729 38.113 -1.384 18462 14769 1 20 . 1 1 542 542 ILE H H 542 8.275 8.275 8.591 -0.316 18462 14770 1 20 . 1 1 543 543 HIS N N 543 118.514 118.514 118.768 -0.254 18462 14771 1 20 . 1 1 543 543 HIS HA H 543 4.257 4.257 4.324 -0.067 18462 14772 1 20 . 1 1 543 543 HIS C C 543 178.283 178.283 176.882 1.401 18462 14773 1 20 . 1 1 543 543 HIS CA C 543 58.758 58.758 58.975 -0.217 18462 14774 1 20 . 1 1 543 543 HIS CB C 543 26.882 26.882 29.578 -2.696 18462 14775 1 20 . 1 1 543 543 HIS H H 543 7.744 7.744 7.550 0.194 18462 14776 1 20 . 1 1 544 544 HIS N N 544 115.805 115.805 117.066 -1.261 18462 14777 1 20 . 1 1 544 544 HIS HA H 544 4.317 4.317 4.425 -0.108 18462 14778 1 20 . 1 1 544 544 HIS C C 544 178.058 178.058 176.747 1.311 18462 14779 1 20 . 1 1 544 544 HIS CA C 544 58.054 58.054 58.564 -0.510 18462 14780 1 20 . 1 1 544 544 HIS CB C 544 36.882 36.882 30.432 6.450 18462 14781 1 20 . 1 1 544 544 HIS H H 544 7.537 7.537 7.629 -0.092 18462 14782 1 20 . 1 1 545 545 THR N N 545 109.469 109.469 109.908 -0.439 18462 14783 1 20 . 1 1 545 545 THR HA H 545 4.184 4.184 4.160 0.024 18462 14784 1 20 . 1 1 545 545 THR C C 545 177.277 177.277 176.095 1.182 18462 14785 1 20 . 1 1 545 545 THR CA C 545 62.509 62.509 62.598 -0.089 18462 14786 1 20 . 1 1 545 545 THR CB C 545 68.839 68.839 69.541 -0.702 18462 14787 1 20 . 1 1 545 545 THR H H 545 7.991 7.991 7.912 0.079 18462 14788 1 20 . 1 1 546 546 GLY N N 546 113.407 113.407 109.751 3.656 18462 14789 1 20 . 1 1 546 546 GLY C C 546 177.501 177.501 174.053 3.448 18462 14790 1 20 . 1 1 546 546 GLY CA C 546 44.935 44.935 45.085 -0.150 18462 14791 1 20 . 1 1 546 546 GLY H H 546 8.530 8.530 8.139 0.391 18462 14792 1 20 . 1 1 547 547 GLU N N 547 123.901 123.901 120.559 3.342 18462 14793 1 20 . 1 1 547 547 GLU HA H 547 3.913 3.913 4.033 -0.120 18462 14794 1 20 . 1 1 547 547 GLU C C 547 173.687 173.687 176.337 -2.650 18462 14795 1 20 . 1 1 547 547 GLU CA C 547 56.413 56.413 56.602 -0.189 18462 14796 1 20 . 1 1 547 547 GLU CB C 547 29.123 29.123 30.020 -0.897 18462 14797 1 20 . 1 1 547 547 GLU H H 547 7.301 7.301 7.505 -0.204 18462 14798 1 20 . 1 1 548 548 ARG N N 548 128.505 128.505 128.169 0.336 18462 14799 1 20 . 1 1 548 548 ARG HA H 548 4.444 4.444 4.505 -0.061 18462 14800 1 20 . 1 1 548 548 ARG C C 548 175.180 175.180 176.496 -1.316 18462 14801 1 20 . 1 1 548 548 ARG CA C 548 55.059 55.059 55.031 0.028 18462 14802 1 20 . 1 1 548 548 ARG CB C 548 29.227 29.227 28.340 0.887 18462 14803 1 20 . 1 1 548 548 ARG H H 548 8.752 8.752 8.465 0.287 18462 14804 1 20 . 1 1 549 549 ARG N N 549 121.815 121.815 120.270 1.545 18462 14805 1 20 . 1 1 549 549 ARG HA H 549 4.205 4.205 4.250 -0.045 18462 14806 1 20 . 1 1 549 549 ARG C C 549 175.850 175.850 176.201 -0.351 18462 14807 1 20 . 1 1 549 549 ARG CA C 549 57.350 57.350 57.221 0.129 18462 14808 1 20 . 1 1 549 549 ARG CB C 549 32.980 32.980 30.999 1.981 18462 14809 1 20 . 1 1 549 549 ARG H H 549 9.440 9.440 7.986 1.454 18462 14810 1 20 . 1 1 550 550 TYR N N 550 116.087 116.087 117.642 -1.555 18462 14811 1 20 . 1 1 550 550 TYR C C 550 176.129 176.129 174.596 1.533 18462 14812 1 20 . 1 1 550 550 TYR CA C 550 58.169 58.169 56.958 1.211 18462 14813 1 20 . 1 1 550 550 TYR CB C 550 38.994 38.994 38.358 0.637 18462 14814 1 20 . 1 1 550 550 TYR H H 550 8.287 8.287 7.737 0.550 18462 14815 1 20 . 1 1 551 551 GLN N N 551 125.096 125.096 124.370 0.726 18462 14816 1 20 . 1 1 551 551 GLN HA H 551 5.275 5.275 5.033 0.242 18462 14817 1 20 . 1 1 551 551 GLN C C 551 175.080 175.080 174.611 0.469 18462 14818 1 20 . 1 1 551 551 GLN CA C 551 53.610 53.610 54.250 -0.640 18462 14819 1 20 . 1 1 551 551 GLN CB C 551 31.152 31.152 32.745 -1.593 18462 14820 1 20 . 1 1 551 551 GLN H H 551 9.656 9.656 9.300 0.356 18462 14821 1 20 . 1 1 552 552 CYS N N 552 128.697 128.697 125.240 3.457 18462 14822 1 20 . 1 1 552 552 CYS HA H 552 4.584 4.584 4.941 -0.357 18462 14823 1 20 . 1 1 552 552 CYS C C 552 175.231 175.231 175.400 -0.169 18462 14824 1 20 . 1 1 552 552 CYS CA C 552 59.461 59.461 59.879 -0.418 18462 14825 1 20 . 1 1 552 552 CYS CB C 552 29.695 29.695 28.574 1.121 18462 14826 1 20 . 1 1 552 552 CYS H H 552 9.427 9.427 9.220 0.207 18462 14827 1 20 . 1 1 553 553 LEU N N 553 130.168 130.168 124.753 5.415 18462 14828 1 20 . 1 1 553 553 LEU HA H 553 4.396 4.396 4.551 -0.155 18462 14829 1 20 . 1 1 553 553 LEU C C 553 177.402 177.402 177.864 -0.462 18462 14830 1 20 . 1 1 553 553 LEU CA C 553 55.710 55.710 55.968 -0.258 18462 14831 1 20 . 1 1 553 553 LEU CB C 553 40.246 40.246 42.418 -2.172 18462 14832 1 20 . 1 1 553 553 LEU H H 553 8.632 8.632 9.001 -0.369 18462 14833 1 20 . 1 1 554 554 ALA N N 554 125.048 125.048 123.267 1.781 18462 14834 1 20 . 1 1 554 554 ALA HA H 554 4.295 4.295 4.112 0.183 18462 14835 1 20 . 1 1 554 554 ALA C C 554 177.657 177.657 178.139 -0.482 18462 14836 1 20 . 1 1 554 554 ALA CA C 554 53.610 53.610 54.346 -0.736 18462 14837 1 20 . 1 1 554 554 ALA CB C 554 16.577 16.577 18.772 -2.195 18462 14838 1 20 . 1 1 554 554 ALA H H 554 8.847 8.847 8.275 0.572 18462 14839 1 20 . 1 1 555 555 CYS N N 555 113.388 113.388 112.478 0.910 18462 14840 1 20 . 1 1 555 555 CYS HA H 555 5.299 5.299 5.003 0.296 18462 14841 1 20 . 1 1 555 555 CYS C C 555 178.854 178.854 175.889 2.965 18462 14842 1 20 . 1 1 555 555 CYS CA C 555 57.820 57.820 57.227 0.593 18462 14843 1 20 . 1 1 555 555 CYS CB C 555 31.665 31.665 29.459 2.206 18462 14844 1 20 . 1 1 555 555 CYS H H 555 8.146 8.146 7.849 0.297 18462 14845 1 20 . 1 1 556 556 GLY N N 556 114.264 114.264 110.281 3.983 18462 14846 1 20 . 1 1 556 556 GLY C C 556 176.084 176.084 174.972 1.112 18462 14847 1 20 . 1 1 556 556 GLY CA C 556 45.639 45.639 45.582 0.057 18462 14848 1 20 . 1 1 556 556 GLY H H 556 8.104 8.104 8.365 -0.261 18462 14849 1 20 . 1 1 557 557 LYS N N 557 123.318 123.318 121.715 1.603 18462 14850 1 20 . 1 1 557 557 LYS HA H 557 4.110 4.110 4.186 -0.076 18462 14851 1 20 . 1 1 557 557 LYS C C 557 174.300 174.300 175.898 -1.598 18462 14852 1 20 . 1 1 557 557 LYS CA C 557 57.585 57.585 56.388 1.198 18462 14853 1 20 . 1 1 557 557 LYS CB C 557 33.447 33.447 33.286 0.161 18462 14854 1 20 . 1 1 557 557 LYS H H 557 8.043 8.043 7.404 0.639 18462 14855 1 20 . 1 1 558 558 SER N N 558 115.947 115.947 117.536 -1.589 18462 14856 1 20 . 1 1 558 558 SER HA H 558 5.661 5.661 4.690 0.971 18462 14857 1 20 . 1 1 558 558 SER C C 558 174.321 174.321 173.493 0.828 18462 14858 1 20 . 1 1 558 558 SER CA C 558 56.179 56.179 57.581 -1.402 18462 14859 1 20 . 1 1 558 558 SER CB C 558 65.088 65.088 64.694 0.394 18462 14860 1 20 . 1 1 558 558 SER H H 558 7.864 7.864 8.197 -0.333 18462 14861 1 20 . 1 1 559 559 PHE N N 559 117.815 117.815 122.433 -4.618 18462 14862 1 20 . 1 1 559 559 PHE HA H 559 4.781 4.781 4.722 0.059 18462 14863 1 20 . 1 1 559 559 PHE C C 559 173.632 173.632 175.649 -2.017 18462 14864 1 20 . 1 1 559 559 PHE CA C 559 56.687 56.687 57.052 -0.365 18462 14865 1 20 . 1 1 559 559 PHE CB C 559 44.232 44.232 41.937 2.295 18462 14866 1 20 . 1 1 559 559 PHE H H 559 9.488 9.488 9.142 0.346 18462 14867 1 20 . 1 1 560 560 ILE N N 560 118.092 118.092 119.143 -1.051 18462 14868 1 20 . 1 1 560 560 ILE HA H 560 4.470 4.470 4.110 0.360 18462 14869 1 20 . 1 1 560 560 ILE C C 560 175.986 175.986 174.939 1.047 18462 14870 1 20 . 1 1 560 560 ILE CA C 560 62.040 62.040 62.510 -0.470 18462 14871 1 20 . 1 1 560 560 ILE CB C 560 39.308 39.308 38.390 0.918 18462 14872 1 20 . 1 1 560 560 ILE H H 560 9.306 9.306 8.454 0.852 18462 14873 1 20 . 1 1 561 561 ASN N N 561 114.751 114.751 114.651 0.100 18462 14874 1 20 . 1 1 561 561 ASN HA H 561 4.683 4.683 5.028 -0.345 18462 14875 1 20 . 1 1 561 561 ASN C C 561 175.350 175.350 174.238 1.112 18462 14876 1 20 . 1 1 561 561 ASN CA C 561 50.797 50.797 51.913 -1.116 18462 14877 1 20 . 1 1 561 561 ASN CB C 561 39.777 39.777 39.636 0.140 18462 14878 1 20 . 1 1 561 561 ASN H H 561 7.387 7.387 7.671 -0.284 18462 14879 1 20 . 1 1 562 562 TYR N N 562 118.833 118.833 120.995 -2.162 18462 14880 1 20 . 1 1 562 562 TYR C C 562 172.730 172.730 176.737 -4.007 18462 14881 1 20 . 1 1 562 562 TYR CA C 562 59.907 59.907 61.895 -1.988 18462 14882 1 20 . 1 1 562 562 TYR CB C 562 38.480 38.480 38.281 0.199 18462 14883 1 20 . 1 1 562 562 TYR H H 562 8.243 8.243 8.558 -0.315 18462 14884 1 20 . 1 1 563 563 GLN N N 563 119.525 119.525 118.408 1.117 18462 14885 1 20 . 1 1 563 563 GLN HA H 563 3.720 3.720 3.947 -0.227 18462 14886 1 20 . 1 1 563 563 GLN C C 563 176.326 176.326 178.296 -1.970 18462 14887 1 20 . 1 1 563 563 GLN CA C 563 61.102 61.102 59.655 1.447 18462 14888 1 20 . 1 1 563 563 GLN CB C 563 25.450 25.450 27.707 -2.257 18462 14889 1 20 . 1 1 563 563 GLN H H 563 8.524 8.524 8.383 0.141 18462 14890 1 20 . 1 1 564 564 PHE N N 564 118.625 118.625 119.797 -1.172 18462 14891 1 20 . 1 1 564 564 PHE HA H 564 4.427 4.427 4.197 0.230 18462 14892 1 20 . 1 1 564 564 PHE C C 564 179.429 179.429 177.674 1.755 18462 14893 1 20 . 1 1 564 564 PHE CA C 564 59.461 59.461 60.917 -1.456 18462 14894 1 20 . 1 1 564 564 PHE CB C 564 38.488 38.488 38.739 -0.251 18462 14895 1 20 . 1 1 564 564 PHE H H 564 8.904 8.904 9.065 -0.161 18462 14896 1 20 . 1 1 565 565 MET N N 565 120.996 120.996 120.477 0.519 18462 14897 1 20 . 1 1 565 565 MET HA H 565 3.720 3.720 3.016 0.704 18462 14898 1 20 . 1 1 565 565 MET C C 565 178.642 178.642 177.593 1.049 18462 14899 1 20 . 1 1 565 565 MET CA C 565 58.037 58.037 59.234 -1.197 18462 14900 1 20 . 1 1 565 565 MET H H 565 7.153 7.153 7.876 -0.723 18462 14901 1 20 . 1 1 566 566 SER N N 566 115.706 115.706 114.410 1.296 18462 14902 1 20 . 1 1 566 566 SER HA H 566 3.720 3.720 3.769 -0.049 18462 14903 1 20 . 1 1 566 566 SER C C 566 176.710 176.710 176.306 0.404 18462 14904 1 20 . 1 1 566 566 SER CA C 566 60.633 60.633 61.297 -0.664 18462 14905 1 20 . 1 1 566 566 SER CB C 566 62.040 62.040 62.641 -0.601 18462 14906 1 20 . 1 1 566 566 SER H H 566 8.918 8.918 8.141 0.777 18462 14907 1 20 . 1 1 567 567 SER N N 567 114.335 114.335 117.314 -2.979 18462 14908 1 20 . 1 1 567 567 SER HA H 567 4.212 4.212 4.010 0.202 18462 14909 1 20 . 1 1 567 567 SER C C 567 176.849 176.849 176.484 0.365 18462 14910 1 20 . 1 1 567 567 SER CA C 567 60.868 60.868 61.379 -0.511 18462 14911 1 20 . 1 1 567 567 SER CB C 567 61.806 61.806 63.122 -1.316 18462 14912 1 20 . 1 1 567 567 SER H H 567 7.933 7.933 7.665 0.268 18462 14913 1 20 . 1 1 568 568 HIS N N 568 120.659 120.659 121.565 -0.906 18462 14914 1 20 . 1 1 568 568 HIS HA H 568 4.327 4.327 4.227 0.100 18462 14915 1 20 . 1 1 568 568 HIS C C 568 177.652 177.652 177.272 0.380 18462 14916 1 20 . 1 1 568 568 HIS CA C 568 58.992 58.992 59.499 -0.507 18462 14917 1 20 . 1 1 568 568 HIS CB C 568 27.234 27.234 29.353 -2.119 18462 14918 1 20 . 1 1 568 568 HIS H H 568 7.594 7.594 8.044 -0.450 18462 14919 1 20 . 1 1 569 569 ILE N N 569 120.858 120.858 120.211 0.647 18462 14920 1 20 . 1 1 569 569 ILE HA H 569 3.562 3.562 3.556 0.006 18462 14921 1 20 . 1 1 569 569 ILE C C 569 175.925 175.925 178.407 -2.482 18462 14922 1 20 . 1 1 569 569 ILE CA C 569 66.729 66.729 65.400 1.329 18462 14923 1 20 . 1 1 569 569 ILE CB C 569 37.198 37.198 37.872 -0.674 18462 14924 1 20 . 1 1 569 569 ILE H H 569 8.640 8.640 8.274 0.366 18462 14925 1 20 . 1 1 570 570 LYS N N 570 118.876 118.876 119.546 -0.670 18462 14926 1 20 . 1 1 570 570 LYS HA H 570 4.329 4.329 4.161 0.168 18462 14927 1 20 . 1 1 570 570 LYS C C 570 178.927 178.927 179.203 -0.276 18462 14928 1 20 . 1 1 570 570 LYS CA C 570 59.461 59.461 59.432 0.029 18462 14929 1 20 . 1 1 570 570 LYS CB C 570 32.743 32.743 32.353 0.390 18462 14930 1 20 . 1 1 570 570 LYS H H 570 8.463 8.463 8.236 0.227 18462 14931 1 20 . 1 1 571 571 SER N N 571 112.612 112.612 113.673 -1.061 18462 14932 1 20 . 1 1 571 571 SER HA H 571 4.323 4.323 4.208 0.115 18462 14933 1 20 . 1 1 571 571 SER C C 571 179.258 179.258 176.160 3.098 18462 14934 1 20 . 1 1 571 571 SER CA C 571 59.930 59.930 60.766 -0.836 18462 14935 1 20 . 1 1 571 571 SER CB C 571 62.978 62.978 63.106 -0.128 18462 14936 1 20 . 1 1 571 571 SER H H 571 7.997 7.997 7.940 0.057 18462 14937 1 20 . 1 1 572 572 VAL N N 572 120.208 120.208 120.236 -0.028 18462 14938 1 20 . 1 1 572 572 VAL HA H 572 3.789 3.789 3.724 0.065 18462 14939 1 20 . 1 1 572 572 VAL C C 572 176.245 176.245 176.941 -0.696 18462 14940 1 20 . 1 1 572 572 VAL CA C 572 63.916 63.916 64.566 -0.650 18462 14941 1 20 . 1 1 572 572 VAL CB C 572 31.337 31.337 32.474 -1.137 18462 14942 1 20 . 1 1 572 572 VAL H H 572 8.615 8.615 8.075 0.540 18462 14943 1 20 . 1 1 573 573 HIS N N 573 113.735 113.735 115.647 -1.912 18462 14944 1 20 . 1 1 573 573 HIS HA H 573 5.102 5.102 4.712 0.390 18462 14945 1 20 . 1 1 573 573 HIS C C 573 177.042 177.042 175.302 1.740 18462 14946 1 20 . 1 1 573 573 HIS CA C 573 53.376 53.376 55.170 -1.794 18462 14947 1 20 . 1 1 573 573 HIS CB C 573 28.210 28.210 30.408 -2.198 18462 14948 1 20 . 1 1 573 573 HIS H H 573 7.067 7.067 7.384 -0.317 18462 14949 1 20 . 1 1 574 574 SER N N 574 112.537 112.537 114.387 -1.850 18462 14950 1 20 . 1 1 574 574 SER HA H 574 4.421 4.421 4.285 0.136 18462 14951 1 20 . 1 1 574 574 SER C C 574 174.525 174.525 173.835 0.690 18462 14952 1 20 . 1 1 574 574 SER CA C 574 58.054 58.054 59.284 -1.230 18462 14953 1 20 . 1 1 574 574 SER CB C 574 61.102 61.102 62.042 -0.940 18462 14954 1 20 . 1 1 574 574 SER H H 574 7.325 7.325 7.985 -0.660 18462 14955 1 20 . 1 1 575 575 GLN N N 575 117.032 117.032 117.857 -0.825 18462 14956 1 20 . 1 1 575 575 GLN HA H 575 4.659 4.659 4.552 0.107 18462 14957 1 20 . 1 1 575 575 GLN C C 575 173.993 173.993 173.571 0.422 18462 14958 1 20 . 1 1 575 575 GLN CA C 575 53.376 53.376 54.268 -0.892 18462 14959 1 20 . 1 1 575 575 GLN CB C 575 32.743 32.743 32.783 -0.040 18462 14960 1 20 . 1 1 575 575 GLN H H 575 7.480 7.480 7.331 0.149 18462 14961 1 20 . 1 1 576 576 ASP N N 576 118.953 118.953 121.091 -2.138 18462 14962 1 20 . 1 1 576 576 ASP HA H 576 4.992 4.992 5.052 -0.060 18462 14963 1 20 . 1 1 576 576 ASP C C 576 173.387 173.387 176.081 -2.694 18462 14964 1 20 . 1 1 576 576 ASP CA C 576 50.094 50.094 50.192 -0.098 18462 14965 1 20 . 1 1 576 576 ASP CB C 576 41.301 41.301 42.117 -0.816 18462 14966 1 20 . 1 1 576 576 ASP H H 576 8.173 8.173 8.749 -0.576 18462 14967 1 20 . 1 1 577 577 PRO HA H 577 4.629 4.629 4.366 0.263 18462 14968 1 20 . 1 1 577 577 PRO CA C 577 63.212 63.212 64.858 -1.645 18462 14969 1 20 . 1 1 577 577 PRO CB C 577 31.806 31.806 31.974 -0.168 18462 14970 1 20 . 1 1 578 578 SER N N 578 114.986 114.986 112.107 2.879 18462 14971 1 20 . 1 1 578 578 SER HA H 578 4.820 4.820 4.498 0.322 18462 14972 1 20 . 1 1 578 578 SER C C 578 176.301 176.301 175.192 1.109 18462 14973 1 20 . 1 1 578 578 SER CA C 578 58.054 58.054 57.923 0.131 18462 14974 1 20 . 1 1 578 578 SER CB C 578 63.447 63.447 62.799 0.648 18462 14975 1 20 . 1 1 578 578 SER H H 578 8.387 8.387 8.558 -0.171 18462 14976 1 20 . 1 1 579 579 GLY N N 579 111.279 111.279 111.194 0.085 18462 14977 1 20 . 1 1 579 579 GLY C C 579 175.262 175.262 174.035 1.227 18462 14978 1 20 . 1 1 579 579 GLY CA C 579 44.935 44.935 44.522 0.413 18462 14979 1 20 . 1 1 579 579 GLY H H 579 8.554 8.554 7.892 0.662 18462 14980 1 20 . 1 1 580 580 ASP N N 580 121.402 121.402 119.320 2.082 18462 14981 1 20 . 1 1 580 580 ASP HA H 580 4.700 4.700 4.768 -0.068 18462 14982 1 20 . 1 1 580 580 ASP C C 580 174.329 174.329 175.946 -1.617 18462 14983 1 20 . 1 1 580 580 ASP CA C 580 53.845 53.845 54.684 -0.839 18462 14984 1 20 . 1 1 580 580 ASP CB C 580 40.012 40.012 39.758 0.255 18462 14985 1 20 . 1 1 580 580 ASP H H 580 8.386 8.386 8.561 -0.175 18462 14986 1 20 . 1 1 581 581 SER N N 581 115.668 115.668 113.818 1.850 18462 14987 1 20 . 1 1 581 581 SER HA H 581 4.421 4.421 4.472 -0.051 18462 14988 1 20 . 1 1 581 581 SER C C 581 176.108 176.108 174.263 1.845 18462 14989 1 20 . 1 1 581 581 SER CA C 581 58.054 58.054 57.491 0.563 18462 14990 1 20 . 1 1 581 581 SER CB C 581 63.212 63.212 64.241 -1.029 18462 14991 1 20 . 1 1 581 581 SER H H 581 8.015 8.015 8.065 -0.050 18462 14992 1 20 . 1 1 582 582 LYS N N 582 120.544 120.544 121.344 -0.800 18462 14993 1 20 . 1 1 582 582 LYS HA H 582 4.329 4.329 3.934 0.395 18462 14994 1 20 . 1 1 582 582 LYS C C 582 174.302 174.302 176.217 -1.915 18462 14995 1 20 . 1 1 582 582 LYS CA C 582 55.944 55.944 56.545 -0.601 18462 14996 1 20 . 1 1 582 582 LYS CB C 582 30.868 30.868 30.619 0.249 18462 14997 1 20 . 1 1 582 582 LYS H H 582 8.453 8.453 8.357 0.096 18462 14998 1 20 . 1 1 583 583 LEU N N 583 119.514 119.514 120.302 -0.788 18462 14999 1 20 . 1 1 583 583 LEU HA H 583 4.458 4.458 4.440 0.018 18462 15000 1 20 . 1 1 583 583 LEU C C 583 176.924 176.924 175.969 0.955 18462 15001 1 20 . 1 1 583 583 LEU CA C 583 54.303 54.303 54.665 -0.362 18462 15002 1 20 . 1 1 583 583 LEU CB C 583 43.060 43.060 41.883 1.177 18462 15003 1 20 . 1 1 583 583 LEU H H 583 8.391 8.391 8.318 0.073 18462 15004 1 20 . 1 1 584 584 TYR N N 584 115.291 115.291 114.017 1.274 18462 15005 1 20 . 1 1 584 584 TYR HA H 584 5.714 5.714 5.578 0.136 18462 15006 1 20 . 1 1 584 584 TYR C C 584 175.675 175.675 173.655 2.020 18462 15007 1 20 . 1 1 584 584 TYR CA C 584 54.303 54.303 54.812 -0.509 18462 15008 1 20 . 1 1 584 584 TYR CB C 584 42.420 42.420 42.171 0.249 18462 15009 1 20 . 1 1 584 584 TYR H H 584 7.625 7.625 7.050 0.575 18462 15010 1 20 . 1 1 585 585 ARG N N 585 120.321 120.321 121.784 -1.463 18462 15011 1 20 . 1 1 585 585 ARG HA H 585 4.407 4.407 4.820 -0.413 18462 15012 1 20 . 1 1 585 585 ARG C C 585 172.342 172.342 174.359 -2.017 18462 15013 1 20 . 1 1 585 585 ARG CA C 585 53.376 53.376 54.205 -0.829 18462 15014 1 20 . 1 1 585 585 ARG CB C 585 33.916 33.916 34.690 -0.774 18462 15015 1 20 . 1 1 585 585 ARG H H 585 9.141 9.141 9.094 0.047 18462 15016 1 20 . 1 1 586 586 LEU N N 586 129.013 129.013 128.161 0.852 18462 15017 1 20 . 1 1 586 586 LEU HA H 586 4.768 4.768 5.037 -0.269 18462 15018 1 20 . 1 1 586 586 LEU C C 586 173.449 173.449 175.143 -1.694 18462 15019 1 20 . 1 1 586 586 LEU CA C 586 52.438 52.438 53.650 -1.212 18462 15020 1 20 . 1 1 586 586 LEU CB C 586 41.653 41.653 44.009 -2.356 18462 15021 1 20 . 1 1 586 586 LEU H H 586 8.581 8.581 8.488 0.093 18462 15022 1 20 . 1 1 587 587 HIS N N 587 127.447 127.447 125.761 1.686 18462 15023 1 20 . 1 1 587 587 HIS HA H 587 4.650 4.650 5.031 -0.381 18462 15024 1 20 . 1 1 587 587 HIS C C 587 175.512 175.512 173.218 2.294 18462 15025 1 20 . 1 1 587 587 HIS CA C 587 55.544 55.544 54.540 1.004 18462 15026 1 20 . 1 1 587 587 HIS CB C 587 29.930 29.930 31.201 -1.272 18462 15027 1 20 . 1 1 587 587 HIS H H 587 9.132 9.132 9.216 -0.084 18462 15028 1 20 . 1 1 588 588 PRO HA H 588 4.441 4.441 4.633 -0.192 18462 15029 1 20 . 1 1 588 588 PRO CA C 588 62.509 62.509 63.296 -0.787 18462 15030 1 20 . 1 1 588 588 PRO CB C 588 31.688 31.688 32.451 -0.763 18462 15031 1 20 . 1 1 589 589 CYS N N 589 124.057 124.057 121.499 2.558 18462 15032 1 20 . 1 1 589 589 CYS HA H 589 4.275 4.275 4.302 -0.027 18462 15033 1 20 . 1 1 589 589 CYS C C 589 174.401 174.401 174.934 -0.533 18462 15034 1 20 . 1 1 589 589 CYS CA C 589 58.289 58.289 58.749 -0.460 18462 15035 1 20 . 1 1 589 589 CYS CB C 589 26.413 26.413 28.518 -2.106 18462 15036 1 20 . 1 1 589 589 CYS H H 589 9.475 9.475 8.615 0.860 18462 15037 1 20 . 1 1 590 590 ARG N N 590 130.942 130.942 127.026 3.916 18462 15038 1 20 . 1 1 590 590 ARG HA H 590 4.689 4.689 4.554 0.135 18462 15039 1 20 . 1 1 590 590 ARG C C 590 175.091 175.091 176.917 -1.826 18462 15040 1 20 . 1 1 590 590 ARG CA C 590 55.241 55.241 56.780 -1.539 18462 15041 1 20 . 1 1 590 590 ARG CB C 590 30.633 30.633 31.070 -0.437 18462 15042 1 20 . 1 1 590 590 ARG H H 590 7.227 7.227 9.129 -1.902 18462 15043 1 20 . 1 1 591 591 SER N N 591 117.243 117.243 115.271 1.972 18462 15044 1 20 . 1 1 591 591 SER HA H 591 4.342 4.342 4.331 0.011 18462 15045 1 20 . 1 1 591 591 SER C C 591 178.367 178.367 173.839 4.528 18462 15046 1 20 . 1 1 591 591 SER CA C 591 59.695 59.695 61.775 -2.080 18462 15047 1 20 . 1 1 591 591 SER CB C 591 61.923 61.923 63.809 -1.886 18462 15048 1 20 . 1 1 591 591 SER H H 591 9.571 9.571 8.809 0.762 18462 15049 1 20 . 1 1 592 592 LEU N N 592 121.308 121.308 115.708 5.600 18462 15050 1 20 . 1 1 592 592 LEU HA H 592 4.778 4.778 4.802 -0.024 18462 15051 1 20 . 1 1 592 592 LEU C C 592 173.260 173.260 175.370 -2.110 18462 15052 1 20 . 1 1 592 592 LEU CA C 592 52.846 52.846 53.334 -0.488 18462 15053 1 20 . 1 1 592 592 LEU CB C 592 45.404 45.404 43.636 1.768 18462 15054 1 20 . 1 1 592 592 LEU H H 592 7.369 7.369 7.351 0.018 18462 15055 1 20 . 1 1 593 593 GLN N N 593 122.109 122.109 119.966 2.143 18462 15056 1 20 . 1 1 593 593 GLN HA H 593 4.564 4.564 4.462 0.102 18462 15057 1 20 . 1 1 593 593 GLN C C 593 175.827 175.827 175.324 0.503 18462 15058 1 20 . 1 1 593 593 GLN CA C 593 54.303 54.303 55.807 -1.504 18462 15059 1 20 . 1 1 593 593 GLN CB C 593 26.882 26.882 28.015 -1.133 18462 15060 1 20 . 1 1 593 593 GLN H H 593 8.599 8.599 8.376 0.223 18462 15061 1 20 . 1 1 594 594 ILE N N 594 118.085 118.085 119.896 -1.811 18462 15062 1 20 . 1 1 594 594 ILE HA H 594 4.755 4.755 4.597 0.158 18462 15063 1 20 . 1 1 594 594 ILE C C 594 175.093 175.093 175.215 -0.122 18462 15064 1 20 . 1 1 594 594 ILE CA C 594 58.831 58.831 58.956 -0.125 18462 15065 1 20 . 1 1 594 594 ILE CB C 594 42.591 42.591 40.341 2.250 18462 15066 1 20 . 1 1 594 594 ILE H H 594 7.635 7.635 8.158 -0.523 18462 15067 1 20 . 1 1 595 595 ARG N N 595 123.800 123.800 122.697 1.103 18462 15068 1 20 . 1 1 595 595 ARG HA H 595 4.038 4.038 4.308 -0.270 18462 15069 1 20 . 1 1 595 595 ARG C C 595 175.440 175.440 175.525 -0.085 18462 15070 1 20 . 1 1 595 595 ARG CA C 595 56.386 56.386 56.198 0.188 18462 15071 1 20 . 1 1 595 595 ARG CB C 595 30.516 30.516 30.902 -0.386 18462 15072 1 20 . 1 1 595 595 ARG H H 595 9.075 9.075 8.367 0.708 18462 15073 1 20 . 1 1 596 596 GLN N N 596 124.290 124.290 117.585 6.705 18462 15074 1 20 . 1 1 596 596 GLN HA H 596 4.420 4.420 4.375 0.045 18462 15075 1 20 . 1 1 596 596 GLN C C 596 174.630 174.630 174.412 0.218 18462 15076 1 20 . 1 1 596 596 GLN CA C 596 52.907 52.907 54.623 -1.716 18462 15077 1 20 . 1 1 596 596 GLN CB C 596 30.164 30.164 31.967 -1.803 18462 15078 1 20 . 1 1 596 596 GLN H H 596 8.495 8.495 8.269 0.226 18462 15079 1 20 . 1 1 597 597 TYR N N 597 121.829 121.829 118.018 3.811 18462 15080 1 20 . 1 1 597 597 TYR HA H 597 4.767 4.767 4.422 0.345 18462 15081 1 20 . 1 1 597 597 TYR C C 597 175.453 175.453 176.294 -0.841 18462 15082 1 20 . 1 1 597 597 TYR CA C 597 57.467 57.467 56.538 0.929 18462 15083 1 20 . 1 1 597 597 TYR CB C 597 38.839 38.839 39.008 -0.169 18462 15084 1 20 . 1 1 597 597 TYR H H 597 7.966 7.966 8.478 -0.512 18462 15085 1 20 . 1 1 598 598 ALA N N 598 129.272 129.272 126.510 2.762 18462 15086 1 20 . 1 1 598 598 ALA HA H 598 4.191 4.191 4.059 0.133 18462 15087 1 20 . 1 1 598 598 ALA C C 598 177.425 177.425 177.180 0.245 18462 15088 1 20 . 1 1 598 598 ALA CA C 598 54.040 54.040 53.829 0.211 18462 15089 1 20 . 1 1 598 598 ALA CB C 598 17.749 17.749 17.951 -0.202 18462 15090 1 20 . 1 1 598 598 ALA H H 598 9.540 9.540 8.727 0.813 18462 15091 1 20 . 1 1 599 599 TYR N N 599 115.845 115.845 111.896 3.949 18462 15092 1 20 . 1 1 599 599 TYR HA H 599 4.560 4.560 4.447 0.113 18462 15093 1 20 . 1 1 599 599 TYR C C 599 173.276 173.276 176.509 -3.233 18462 15094 1 20 . 1 1 599 599 TYR CA C 599 58.172 58.172 57.820 0.352 18462 15095 1 20 . 1 1 599 599 TYR CB C 599 36.432 36.432 37.455 -1.023 18462 15096 1 20 . 1 1 599 599 TYR H H 599 8.496 8.496 7.698 0.798 18462 15097 1 20 . 1 1 600 600 LEU N N 600 120.764 120.764 120.093 0.671 18462 15098 1 20 . 1 1 600 600 LEU HA H 600 4.260 4.260 4.459 -0.199 18462 15099 1 20 . 1 1 600 600 LEU C C 600 176.164 176.164 178.143 -1.979 18462 15100 1 20 . 1 1 600 600 LEU CA C 600 54.303 54.303 55.412 -1.109 18462 15101 1 20 . 1 1 600 600 LEU CB C 600 41.419 41.419 40.711 0.709 18462 15102 1 20 . 1 1 600 600 LEU H H 600 7.299 7.299 7.906 -0.607 18462 15103 1 20 . 1 1 601 601 SER N N 601 114.419 114.419 113.456 0.963 18462 15104 1 20 . 1 1 601 601 SER HA H 601 4.418 4.418 4.355 0.063 18462 15105 1 20 . 1 1 601 601 SER C C 601 177.754 177.754 174.069 3.685 18462 15106 1 20 . 1 1 601 601 SER CA C 601 58.054 58.054 59.787 -1.733 18462 15107 1 20 . 1 1 601 601 SER CB C 601 63.212 63.212 63.652 -0.440 18462 15108 1 20 . 1 1 601 601 SER H H 601 7.896 7.896 7.579 0.317 18462 15109 1 20 . 1 1 602 602 ASP N N 602 122.293 122.293 119.589 2.704 18462 15110 1 20 . 1 1 602 602 ASP HA H 602 4.651 4.651 4.787 -0.136 18462 15111 1 20 . 1 1 602 602 ASP C C 602 174.087 174.087 174.526 -0.439 18462 15112 1 20 . 1 1 602 602 ASP CA C 602 53.845 53.845 52.748 1.097 18462 15113 1 20 . 1 1 602 602 ASP CB C 602 40.481 40.481 42.940 -2.459 18462 15114 1 20 . 1 1 602 602 ASP H H 602 8.257 8.257 7.333 0.924 18462 15115 1 20 . 1 1 603 603 ARG N N 603 121.398 121.398 121.573 -0.175 18462 15116 1 20 . 1 1 603 603 ARG HA H 603 4.454 4.454 4.154 0.300 18462 15117 1 20 . 1 1 603 603 ARG C C 603 176.111 176.111 175.465 0.646 18462 15118 1 20 . 1 1 603 603 ARG CA C 603 55.241 55.241 57.532 -2.291 18462 15119 1 20 . 1 1 603 603 ARG CB C 603 30.164 30.164 30.019 0.145 18462 15120 1 20 . 1 1 603 603 ARG H H 603 8.234 8.234 8.456 -0.222 18462 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 125 2.723 -0.529 2.682 18462 2 1 1 "Average Difference" HA 132 0.248 -0.070 0.239 18462 3 1 1 "Average Difference" C 126 1.693 -0.091 1.697 18462 4 1 1 "Average Difference" CA 131 1.180 0.423 1.106 18462 5 1 1 "Average Difference" CB 125 1.623 0.420 1.574 18462 6 1 1 "Average Difference" HN 125 0.591 -0.154 0.573 18462 7 1 2 "Average Difference" N 125 2.675 -0.518 2.635 18462 8 1 2 "Average Difference" HA 132 0.255 -0.080 0.243 18462 9 1 2 "Average Difference" C 126 1.733 -0.083 1.738 18462 10 1 2 "Average Difference" CA 131 1.202 0.433 1.125 18462 11 1 2 "Average Difference" CB 125 1.613 0.360 1.579 18462 12 1 2 "Average Difference" HN 125 0.581 -0.126 0.569 18462 13 1 3 "Average Difference" N 125 2.699 -0.563 2.650 18462 14 1 3 "Average Difference" HA 132 0.287 -0.052 0.283 18462 15 1 3 "Average Difference" C 126 1.748 -0.119 1.751 18462 16 1 3 "Average Difference" CA 131 1.224 0.411 1.157 18462 17 1 3 "Average Difference" CB 125 1.607 0.412 1.559 18462 18 1 3 "Average Difference" HN 125 0.587 -0.131 0.574 18462 19 1 4 "Average Difference" N 125 2.621 -0.375 2.604 18462 20 1 4 "Average Difference" HA 132 0.260 -0.063 0.253 18462 21 1 4 "Average Difference" C 126 1.719 -0.100 1.723 18462 22 1 4 "Average Difference" CA 131 1.205 0.448 1.123 18462 23 1 4 "Average Difference" CB 125 1.573 0.311 1.548 18462 24 1 4 "Average Difference" HN 125 0.590 -0.124 0.579 18462 25 1 5 "Average Difference" N 125 2.536 -0.446 2.507 18462 26 1 5 "Average Difference" HA 132 0.266 -0.073 0.257 18462 27 1 5 "Average Difference" C 126 1.756 -0.173 1.755 18462 28 1 5 "Average Difference" CA 131 1.243 0.452 1.162 18462 29 1 5 "Average Difference" CB 125 1.616 0.344 1.585 18462 30 1 5 "Average Difference" HN 125 0.566 -0.125 0.554 18462 31 1 6 "Average Difference" N 125 2.616 -0.525 2.573 18462 32 1 6 "Average Difference" HA 132 0.254 -0.074 0.244 18462 33 1 6 "Average Difference" C 126 1.755 -0.146 1.756 18462 34 1 6 "Average Difference" CA 131 1.163 0.419 1.089 18462 35 1 6 "Average Difference" CB 125 1.622 0.402 1.577 18462 36 1 6 "Average Difference" HN 125 0.582 -0.151 0.564 18462 37 1 7 "Average Difference" N 125 2.612 -0.392 2.593 18462 38 1 7 "Average Difference" HA 132 0.271 -0.073 0.262 18462 39 1 7 "Average Difference" C 126 1.752 -0.076 1.757 18462 40 1 7 "Average Difference" CA 131 1.200 0.419 1.129 18462 41 1 7 "Average Difference" CB 125 1.578 0.367 1.541 18462 42 1 7 "Average Difference" HN 125 0.607 -0.130 0.596 18462 43 1 8 "Average Difference" N 125 2.515 -0.465 2.482 18462 44 1 8 "Average Difference" HA 132 0.252 -0.067 0.244 18462 45 1 8 "Average Difference" C 126 1.757 -0.141 1.758 18462 46 1 8 "Average Difference" CA 131 1.167 0.455 1.079 18462 47 1 8 "Average Difference" CB 125 1.569 0.381 1.528 18462 48 1 8 "Average Difference" HN 125 0.567 -0.133 0.553 18462 49 1 9 "Average Difference" N 125 2.609 -0.425 2.584 18462 50 1 9 "Average Difference" HA 132 0.269 -0.085 0.256 18462 51 1 9 "Average Difference" C 126 1.732 -0.084 1.737 18462 52 1 9 "Average Difference" CA 131 1.167 0.425 1.091 18462 53 1 9 "Average Difference" CB 125 1.591 0.321 1.564 18462 54 1 9 "Average Difference" HN 125 0.561 -0.121 0.550 18462 55 1 10 "Average Difference" N 125 2.656 -0.420 2.634 18462 56 1 10 "Average Difference" HA 132 0.269 -0.076 0.259 18462 57 1 10 "Average Difference" C 126 1.705 -0.109 1.708 18462 58 1 10 "Average Difference" CA 131 1.197 0.435 1.119 18462 59 1 10 "Average Difference" CB 125 1.606 0.321 1.580 18462 60 1 10 "Average Difference" HN 125 0.580 -0.128 0.568 18462 61 1 11 "Average Difference" N 125 2.700 -0.458 2.672 18462 62 1 11 "Average Difference" HA 132 0.250 -0.059 0.244 18462 63 1 11 "Average Difference" C 126 1.730 -0.115 1.733 18462 64 1 11 "Average Difference" CA 131 1.158 0.396 1.093 18462 65 1 11 "Average Difference" CB 125 1.571 0.436 1.515 18462 66 1 11 "Average Difference" HN 125 0.575 -0.129 0.563 18462 67 1 12 "Average Difference" N 125 2.663 -0.607 2.603 18462 68 1 12 "Average Difference" HA 132 0.277 -0.075 0.268 18462 69 1 12 "Average Difference" C 126 1.721 -0.088 1.725 18462 70 1 12 "Average Difference" CA 131 1.233 0.465 1.146 18462 71 1 12 "Average Difference" CB 125 1.626 0.371 1.590 18462 72 1 12 "Average Difference" HN 125 0.562 -0.112 0.552 18462 73 1 13 "Average Difference" N 125 2.653 -0.590 2.598 18462 74 1 13 "Average Difference" HA 132 0.261 -0.065 0.254 18462 75 1 13 "Average Difference" C 126 1.747 -0.070 1.753 18462 76 1 13 "Average Difference" CA 131 1.193 0.425 1.119 18462 77 1 13 "Average Difference" CB 125 1.577 0.359 1.542 18462 78 1 13 "Average Difference" HN 125 0.580 -0.137 0.566 18462 79 1 14 "Average Difference" N 125 2.644 -0.471 2.612 18462 80 1 14 "Average Difference" HA 132 0.257 -0.082 0.245 18462 81 1 14 "Average Difference" C 126 1.802 -0.103 1.806 18462 82 1 14 "Average Difference" CA 131 1.233 0.476 1.142 18462 83 1 14 "Average Difference" CB 125 1.573 0.303 1.550 18462 84 1 14 "Average Difference" HN 125 0.589 -0.148 0.572 18462 85 1 15 "Average Difference" N 125 2.674 -0.550 2.627 18462 86 1 15 "Average Difference" HA 132 0.273 -0.082 0.262 18462 87 1 15 "Average Difference" C 126 1.708 -0.097 1.712 18462 88 1 15 "Average Difference" CA 131 1.239 0.470 1.150 18462 89 1 15 "Average Difference" CB 125 1.638 0.304 1.616 18462 90 1 15 "Average Difference" HN 125 0.569 -0.123 0.558 18462 91 1 16 "Average Difference" N 125 2.630 -0.459 2.600 18462 92 1 16 "Average Difference" HA 132 0.259 -0.074 0.250 18462 93 1 16 "Average Difference" C 126 1.734 -0.092 1.739 18462 94 1 16 "Average Difference" CA 131 1.200 0.458 1.114 18462 95 1 16 "Average Difference" CB 125 1.599 0.340 1.569 18462 96 1 16 "Average Difference" HN 125 0.569 -0.130 0.556 18462 97 1 17 "Average Difference" N 125 2.644 -0.413 2.622 18462 98 1 17 "Average Difference" HA 132 0.262 -0.071 0.253 18462 99 1 17 "Average Difference" C 126 1.762 -0.087 1.767 18462 100 1 17 "Average Difference" CA 131 1.168 0.431 1.090 18462 101 1 17 "Average Difference" CB 125 1.591 0.364 1.555 18462 102 1 17 "Average Difference" HN 125 0.581 -0.120 0.571 18462 103 1 18 "Average Difference" N 125 2.604 -0.557 2.554 18462 104 1 18 "Average Difference" HA 132 0.259 -0.065 0.252 18462 105 1 18 "Average Difference" C 126 1.706 -0.058 1.712 18462 106 1 18 "Average Difference" CA 131 1.144 0.401 1.076 18462 107 1 18 "Average Difference" CB 125 1.581 0.393 1.538 18462 108 1 18 "Average Difference" HN 125 0.581 -0.132 0.568 18462 109 1 19 "Average Difference" N 125 2.759 -0.568 2.711 18462 110 1 19 "Average Difference" HA 132 0.255 -0.059 0.250 18462 111 1 19 "Average Difference" C 126 1.731 -0.099 1.735 18462 112 1 19 "Average Difference" CA 131 1.215 0.397 1.152 18462 113 1 19 "Average Difference" CB 125 1.583 0.375 1.544 18462 114 1 19 "Average Difference" HN 125 0.578 -0.121 0.567 18462 115 1 20 "Average Difference" N 125 2.661 -0.608 2.601 18462 116 1 20 "Average Difference" HA 132 0.262 -0.069 0.254 18462 117 1 20 "Average Difference" C 126 1.728 -0.127 1.730 18462 118 1 20 "Average Difference" CA 131 1.161 0.396 1.096 18462 119 1 20 "Average Difference" CB 125 1.564 0.377 1.524 18462 120 1 20 "Average Difference" HN 125 0.584 -0.132 0.571 18462 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 18462 _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 1 473 473 ASN HA H 473 4.815 4.815 4.983 -0.168 18462 2 1 . 1 1 473 473 ASN CA C 473 52.204 52.204 52.776 -0.572 18462 3 1 . 1 1 473 473 ASN CB C 473 38.371 38.371 39.935 -1.564 18462 4 1 . 1 1 474 474 LYS N N 474 122.150 122.150 121.127 1.023 18462 5 1 . 1 1 474 474 LYS HA H 474 4.375 4.375 4.481 -0.106 18462 6 1 . 1 1 474 474 LYS C C 474 174.965 174.965 175.977 -1.012 18462 7 1 . 1 1 474 474 LYS CA C 474 55.944 55.944 55.973 -0.028 18462 8 1 . 1 1 474 474 LYS CB C 474 32.405 32.405 33.522 -1.117 18462 9 1 . 1 1 474 474 LYS H H 474 8.586 8.586 8.410 0.176 18462 10 1 . 1 1 475 475 ARG N N 475 122.278 122.278 122.678 -0.400 18462 11 1 . 1 1 475 475 ARG HA H 475 4.374 4.374 4.498 -0.124 18462 12 1 . 1 1 475 475 ARG C C 475 176.695 176.695 175.374 1.321 18462 13 1 . 1 1 475 475 ARG CA C 475 55.944 55.944 56.000 -0.056 18462 14 1 . 1 1 475 475 ARG CB C 475 30.164 30.164 30.894 -0.731 18462 15 1 . 1 1 475 475 ARG H H 475 8.662 8.662 8.563 0.099 18462 16 1 . 1 1 476 476 MET N N 476 122.046 122.046 122.897 -0.851 18462 17 1 . 1 1 476 476 MET HA H 476 4.496 4.496 4.617 -0.121 18462 18 1 . 1 1 476 476 MET C C 476 176.359 176.359 175.450 0.909 18462 19 1 . 1 1 476 476 MET CA C 476 54.537 54.537 55.340 -0.803 18462 20 1 . 1 1 476 476 MET CB C 476 32.509 32.509 33.963 -1.454 18462 21 1 . 1 1 476 476 MET H H 476 8.490 8.490 8.375 0.115 18462 22 1 . 1 1 477 477 LYS N N 477 123.768 123.768 124.042 -0.274 18462 23 1 . 1 1 477 477 LYS HA H 477 4.384 4.384 4.525 -0.141 18462 24 1 . 1 1 477 477 LYS C C 477 176.015 176.015 175.192 0.823 18462 25 1 . 1 1 477 477 LYS CA C 477 55.834 55.834 56.136 -0.302 18462 26 1 . 1 1 477 477 LYS CB C 477 32.107 32.107 31.863 0.244 18462 27 1 . 1 1 477 477 LYS H H 477 8.472 8.472 8.439 0.033 18462 28 1 . 1 1 478 478 VAL N N 478 122.460 122.460 118.507 3.953 18462 29 1 . 1 1 478 478 VAL HA H 478 4.054 4.054 4.288 -0.234 18462 30 1 . 1 1 478 478 VAL C C 478 176.320 176.320 174.909 1.411 18462 31 1 . 1 1 478 478 VAL CA C 478 61.337 61.337 60.915 0.422 18462 32 1 . 1 1 478 478 VAL CB C 478 32.275 32.275 33.516 -1.241 18462 33 1 . 1 1 478 478 VAL H H 478 8.230 8.230 7.710 0.520 18462 34 1 . 1 1 479 479 LYS N N 479 126.119 126.119 122.910 3.209 18462 35 1 . 1 1 479 479 LYS HA H 479 4.365 4.365 4.383 -0.018 18462 36 1 . 1 1 479 479 LYS C C 479 175.605 175.605 175.486 0.119 18462 37 1 . 1 1 479 479 LYS CA C 479 55.006 55.006 55.789 -0.783 18462 38 1 . 1 1 479 479 LYS CB C 479 32.098 32.098 33.172 -1.074 18462 39 1 . 1 1 479 479 LYS H H 479 8.453 8.453 8.173 0.280 18462 40 1 . 1 1 480 480 HIS N N 480 121.065 121.065 119.611 1.454 18462 41 1 . 1 1 480 480 HIS HA H 480 4.713 4.713 4.734 -0.022 18462 42 1 . 1 1 480 480 HIS C C 480 175.937 175.937 174.616 1.321 18462 43 1 . 1 1 480 480 HIS CA C 480 54.537 54.537 55.343 -0.806 18462 44 1 . 1 1 480 480 HIS CB C 480 30.047 30.047 31.842 -1.795 18462 45 1 . 1 1 480 480 HIS H H 480 8.559 8.559 8.389 0.170 18462 46 1 . 1 1 481 481 ASP HA H 481 4.392 4.392 4.570 -0.178 18462 47 1 . 1 1 481 481 ASP C C 481 174.413 174.413 175.829 -1.416 18462 48 1 . 1 1 481 481 ASP CA C 481 52.907 52.907 54.077 -1.170 18462 49 1 . 1 1 481 481 ASP CB C 481 39.543 39.543 40.306 -0.763 18462 50 1 . 1 1 482 482 ASP N N 482 118.362 118.362 118.107 0.255 18462 51 1 . 1 1 482 482 ASP HA H 482 4.710 4.710 4.479 0.231 18462 52 1 . 1 1 482 482 ASP C C 482 175.104 175.104 175.077 0.027 18462 53 1 . 1 1 482 482 ASP CA C 482 53.376 53.376 53.873 -0.497 18462 54 1 . 1 1 482 482 ASP CB C 482 39.308 39.308 40.166 -0.858 18462 55 1 . 1 1 482 482 ASP H H 482 8.216 8.216 8.300 -0.084 18462 56 1 . 1 1 483 483 HIS N N 483 113.578 113.578 113.251 0.327 18462 57 1 . 1 1 483 483 HIS HA H 483 5.886 5.886 5.298 0.588 18462 58 1 . 1 1 483 483 HIS C C 483 175.274 175.274 172.773 2.501 18462 59 1 . 1 1 483 483 HIS CA C 483 55.241 55.241 55.337 -0.096 18462 60 1 . 1 1 483 483 HIS CB C 483 32.040 32.040 31.499 0.542 18462 61 1 . 1 1 483 483 HIS H H 483 7.692 7.692 7.153 0.539 18462 62 1 . 1 1 484 484 TYR N N 484 116.271 116.271 114.583 1.688 18462 63 1 . 1 1 484 484 TYR HA H 484 5.003 5.003 4.938 0.065 18462 64 1 . 1 1 484 484 TYR C C 484 180.038 180.038 173.749 6.289 18462 65 1 . 1 1 484 484 TYR CA C 484 55.241 55.241 56.218 -0.977 18462 66 1 . 1 1 484 484 TYR CB C 484 39.777 39.777 40.514 -0.737 18462 67 1 . 1 1 484 484 TYR H H 484 8.493 8.493 8.743 -0.250 18462 68 1 . 1 1 485 485 GLU N N 485 120.840 120.840 121.489 -0.649 18462 69 1 . 1 1 485 485 GLU HA H 485 5.301 5.301 5.163 0.138 18462 70 1 . 1 1 485 485 GLU C C 485 174.101 174.101 175.628 -1.527 18462 71 1 . 1 1 485 485 GLU CA C 485 54.772 54.772 55.547 -0.775 18462 72 1 . 1 1 485 485 GLU CB C 485 31.337 31.337 31.589 -0.252 18462 73 1 . 1 1 485 485 GLU H H 485 8.873 8.873 8.732 0.141 18462 74 1 . 1 1 486 486 LEU N N 486 125.807 125.807 126.733 -0.926 18462 75 1 . 1 1 486 486 LEU HA H 486 4.762 4.762 4.825 -0.063 18462 76 1 . 1 1 486 486 LEU C C 486 175.613 175.613 174.903 0.710 18462 77 1 . 1 1 486 486 LEU CA C 486 53.645 53.645 54.278 -0.633 18462 78 1 . 1 1 486 486 LEU CB C 486 45.873 45.873 45.079 0.794 18462 79 1 . 1 1 486 486 LEU H H 486 8.957 8.957 8.927 0.030 18462 80 1 . 1 1 487 487 ILE N N 487 125.332 125.332 127.837 -2.505 18462 81 1 . 1 1 487 487 ILE HA H 487 5.007 5.007 4.474 0.533 18462 82 1 . 1 1 487 487 ILE C C 487 174.543 174.543 175.493 -0.950 18462 83 1 . 1 1 487 487 ILE CA C 487 59.695 59.695 61.348 -1.653 18462 84 1 . 1 1 487 487 ILE CB C 487 37.433 37.433 38.286 -0.853 18462 85 1 . 1 1 487 487 ILE H H 487 8.549 8.549 8.480 0.069 18462 86 1 . 1 1 488 488 VAL N N 488 129.307 129.307 128.213 1.094 18462 87 1 . 1 1 488 488 VAL HA H 488 4.304 4.304 4.142 0.162 18462 88 1 . 1 1 488 488 VAL C C 488 176.678 176.678 175.174 1.504 18462 89 1 . 1 1 488 488 VAL CA C 488 60.868 60.868 60.691 0.177 18462 90 1 . 1 1 488 488 VAL CB C 488 33.681 33.681 34.447 -0.766 18462 91 1 . 1 1 488 488 VAL H H 488 9.456 9.456 8.622 0.834 18462 92 1 . 1 1 489 489 ASP N N 489 128.884 128.884 127.820 1.064 18462 93 1 . 1 1 489 489 ASP HA H 489 4.301 4.301 4.247 0.054 18462 94 1 . 1 1 489 489 ASP C C 489 176.084 176.084 176.980 -0.896 18462 95 1 . 1 1 489 489 ASP CA C 489 54.537 54.537 54.713 -0.176 18462 96 1 . 1 1 489 489 ASP CB C 489 39.074 39.074 40.369 -1.295 18462 97 1 . 1 1 489 489 ASP H H 489 9.144 9.144 9.030 0.114 18462 98 1 . 1 1 490 490 GLY N N 490 102.410 102.410 103.182 -0.772 18462 99 1 . 1 1 490 490 GLY C C 490 175.998 175.998 174.082 1.916 18462 100 1 . 1 1 490 490 GLY CA C 490 44.818 44.818 45.277 -0.459 18462 101 1 . 1 1 490 490 GLY H H 490 8.210 8.210 8.249 -0.039 18462 102 1 . 1 1 491 491 ARG N N 491 122.605 122.605 121.142 1.463 18462 103 1 . 1 1 491 491 ARG HA H 491 4.597 4.597 4.546 0.051 18462 104 1 . 1 1 491 491 ARG C C 491 173.256 173.256 175.162 -1.906 18462 105 1 . 1 1 491 491 ARG CA C 491 53.610 53.610 54.695 -1.085 18462 106 1 . 1 1 491 491 ARG CB C 491 32.040 32.040 31.734 0.306 18462 107 1 . 1 1 491 491 ARG H H 491 7.938 7.938 7.761 0.177 18462 108 1 . 1 1 492 492 VAL N N 492 123.769 123.769 124.078 -0.309 18462 109 1 . 1 1 492 492 VAL HA H 492 4.128 4.128 3.785 0.343 18462 110 1 . 1 1 492 492 VAL C C 492 173.470 173.470 175.135 -1.665 18462 111 1 . 1 1 492 492 VAL CA C 492 62.210 62.210 62.555 -0.345 18462 112 1 . 1 1 492 492 VAL CB C 492 32.040 32.040 31.645 0.396 18462 113 1 . 1 1 492 492 VAL H H 492 8.157 8.157 8.519 -0.362 18462 114 1 . 1 1 493 493 TYR N N 493 124.842 124.842 126.758 -1.916 18462 115 1 . 1 1 493 493 TYR HA H 493 4.632 4.632 4.757 -0.125 18462 116 1 . 1 1 493 493 TYR C C 493 174.288 174.288 175.345 -1.057 18462 117 1 . 1 1 493 493 TYR CA C 493 56.308 56.308 53.860 2.448 18462 118 1 . 1 1 493 493 TYR CB C 493 40.481 40.481 39.794 0.687 18462 119 1 . 1 1 493 493 TYR H H 493 8.981 8.981 8.643 0.338 18462 120 1 . 1 1 494 494 TYR N N 494 120.511 120.511 120.590 -0.079 18462 121 1 . 1 1 494 494 TYR HA H 494 4.763 4.763 5.118 -0.355 18462 122 1 . 1 1 494 494 TYR C C 494 173.811 173.811 175.565 -1.754 18462 123 1 . 1 1 494 494 TYR CA C 494 56.764 56.764 57.113 -0.349 18462 124 1 . 1 1 494 494 TYR CB C 494 38.722 38.722 39.169 -0.447 18462 125 1 . 1 1 494 494 TYR H H 494 9.235 9.235 8.957 0.278 18462 126 1 . 1 1 495 495 ILE N N 495 124.930 124.930 122.864 2.066 18462 127 1 . 1 1 495 495 ILE HA H 495 4.780 4.780 4.846 -0.066 18462 128 1 . 1 1 495 495 ILE C C 495 174.764 174.764 175.507 -0.743 18462 129 1 . 1 1 495 495 ILE CA C 495 57.714 57.714 59.207 -1.493 18462 130 1 . 1 1 495 495 ILE CB C 495 36.729 36.729 40.546 -3.817 18462 131 1 . 1 1 495 495 ILE H H 495 9.136 9.136 9.178 -0.042 18462 132 1 . 1 1 496 496 CYS N N 496 127.535 127.535 127.556 -0.021 18462 133 1 . 1 1 496 496 CYS HA H 496 4.745 4.745 4.820 -0.075 18462 134 1 . 1 1 496 496 CYS C C 496 176.128 176.128 176.943 -0.815 18462 135 1 . 1 1 496 496 CYS CA C 496 60.574 60.574 58.938 1.636 18462 136 1 . 1 1 496 496 CYS CB C 496 29.227 29.227 28.069 1.158 18462 137 1 . 1 1 496 496 CYS H H 496 9.016 9.016 8.635 0.381 18462 138 1 . 1 1 497 497 ILE N N 497 129.645 129.645 126.206 3.439 18462 139 1 . 1 1 497 497 ILE HA H 497 4.176 4.176 4.197 -0.021 18462 140 1 . 1 1 497 497 ILE C C 497 177.925 177.925 176.824 1.101 18462 141 1 . 1 1 497 497 ILE CA C 497 63.447 63.447 64.481 -1.034 18462 142 1 . 1 1 497 497 ILE CB C 497 39.543 39.543 37.827 1.716 18462 143 1 . 1 1 497 497 ILE H H 497 8.295 8.295 8.367 -0.072 18462 144 1 . 1 1 498 498 VAL N N 498 123.791 123.791 121.327 2.464 18462 145 1 . 1 1 498 498 VAL HA H 498 3.939 3.939 3.762 0.177 18462 146 1 . 1 1 498 498 VAL C C 498 176.127 176.127 177.425 -1.298 18462 147 1 . 1 1 498 498 VAL CA C 498 64.619 64.619 65.531 -0.912 18462 148 1 . 1 1 498 498 VAL CB C 498 32.275 32.275 31.502 0.773 18462 149 1 . 1 1 498 498 VAL H H 498 8.993 8.993 8.215 0.778 18462 150 1 . 1 1 499 499 CYS N N 499 117.267 117.267 111.956 5.311 18462 151 1 . 1 1 499 499 CYS HA H 499 5.157 5.157 4.861 0.296 18462 152 1 . 1 1 499 499 CYS C C 499 177.106 177.106 174.961 2.145 18462 153 1 . 1 1 499 499 CYS CA C 499 57.820 57.820 57.443 0.377 18462 154 1 . 1 1 499 499 CYS CB C 499 31.571 31.571 29.303 2.268 18462 155 1 . 1 1 499 499 CYS H H 499 8.307 8.307 7.998 0.309 18462 156 1 . 1 1 500 500 LYS N N 500 117.950 117.950 118.924 -0.974 18462 157 1 . 1 1 500 500 LYS HA H 500 4.306 4.306 4.072 0.234 18462 158 1 . 1 1 500 500 LYS C C 500 175.869 175.869 175.471 0.398 18462 159 1 . 1 1 500 500 LYS CA C 500 57.585 57.585 57.238 0.347 18462 160 1 . 1 1 500 500 LYS CB C 500 28.289 28.289 29.706 -1.417 18462 161 1 . 1 1 500 500 LYS H H 500 8.169 8.169 8.222 -0.053 18462 162 1 . 1 1 501 501 ARG N N 501 121.270 121.270 119.726 1.544 18462 163 1 . 1 1 501 501 ARG HA H 501 4.090 4.090 4.184 -0.094 18462 164 1 . 1 1 501 501 ARG C C 501 175.587 175.587 175.710 -0.123 18462 165 1 . 1 1 501 501 ARG CA C 501 58.289 58.289 55.951 2.338 18462 166 1 . 1 1 501 501 ARG CB C 501 29.694 29.694 31.173 -1.479 18462 167 1 . 1 1 501 501 ARG H H 501 8.071 8.071 7.771 0.300 18462 168 1 . 1 1 502 502 SER N N 502 112.997 112.997 117.810 -4.813 18462 169 1 . 1 1 502 502 SER HA H 502 5.003 5.003 4.723 0.280 18462 170 1 . 1 1 502 502 SER C C 502 174.417 174.417 173.224 1.193 18462 171 1 . 1 1 502 502 SER CA C 502 55.475 55.475 57.264 -1.789 18462 172 1 . 1 1 502 502 SER CB C 502 65.088 65.088 64.411 0.677 18462 173 1 . 1 1 502 502 SER H H 502 7.553 7.553 8.235 -0.682 18462 174 1 . 1 1 503 503 TYR N N 503 121.115 121.115 122.202 -1.087 18462 175 1 . 1 1 503 503 TYR HA H 503 4.996 4.996 4.631 0.365 18462 176 1 . 1 1 503 503 TYR C C 503 173.707 173.707 175.535 -1.828 18462 177 1 . 1 1 503 503 TYR CA C 503 57.585 57.585 57.763 -0.178 18462 178 1 . 1 1 503 503 TYR CB C 503 42.244 42.244 41.858 0.386 18462 179 1 . 1 1 503 503 TYR H H 503 8.958 8.958 8.598 0.360 18462 180 1 . 1 1 504 504 VAL N N 504 119.390 119.390 120.830 -1.440 18462 181 1 . 1 1 504 504 VAL HA H 504 4.376 4.376 4.040 0.336 18462 182 1 . 1 1 504 504 VAL C C 504 176.390 176.390 175.831 0.559 18462 183 1 . 1 1 504 504 VAL CA C 504 62.275 62.275 63.968 -1.693 18462 184 1 . 1 1 504 504 VAL CB C 504 33.025 33.025 32.401 0.624 18462 185 1 . 1 1 504 504 VAL H H 504 9.988 9.988 8.632 1.356 18462 186 1 . 1 1 505 505 CYS N N 505 113.800 113.800 116.149 -2.349 18462 187 1 . 1 1 505 505 CYS HA H 505 4.998 4.998 4.779 0.219 18462 188 1 . 1 1 505 505 CYS C C 505 176.603 176.603 175.087 1.516 18462 189 1 . 1 1 505 505 CYS CA C 505 56.647 56.647 57.638 -0.991 18462 190 1 . 1 1 505 505 CYS CB C 505 38.406 38.406 31.298 7.109 18462 191 1 . 1 1 505 505 CYS H H 505 7.518 7.518 7.786 -0.268 18462 192 1 . 1 1 506 506 LEU N N 506 129.535 129.535 124.266 5.269 18462 193 1 . 1 1 506 506 LEU HA H 506 3.325 3.325 3.584 -0.259 18462 194 1 . 1 1 506 506 LEU C C 506 174.727 174.727 177.889 -3.162 18462 195 1 . 1 1 506 506 LEU CA C 506 56.647 56.647 57.995 -1.348 18462 196 1 . 1 1 506 506 LEU CB C 506 39.308 39.308 41.193 -1.885 18462 197 1 . 1 1 506 506 LEU H H 506 8.602 8.602 8.691 -0.089 18462 198 1 . 1 1 507 507 THR N N 507 108.833 108.833 110.462 -1.629 18462 199 1 . 1 1 507 507 THR HA H 507 3.820 3.820 3.872 -0.052 18462 200 1 . 1 1 507 507 THR C C 507 178.905 178.905 176.706 2.199 18462 201 1 . 1 1 507 507 THR CA C 507 64.150 64.150 65.963 -1.813 18462 202 1 . 1 1 507 507 THR CB C 507 66.260 66.260 67.911 -1.651 18462 203 1 . 1 1 507 507 THR H H 507 8.087 8.087 8.157 -0.070 18462 204 1 . 1 1 508 508 SER N N 508 119.009 119.009 118.364 0.645 18462 205 1 . 1 1 508 508 SER HA H 508 4.123 4.123 4.048 0.076 18462 206 1 . 1 1 508 508 SER C C 508 178.467 178.467 175.992 2.475 18462 207 1 . 1 1 508 508 SER CA C 508 59.461 59.461 61.100 -1.639 18462 208 1 . 1 1 508 508 SER CB C 508 62.978 62.978 62.794 0.184 18462 209 1 . 1 1 508 508 SER H H 508 7.230 7.230 7.560 -0.330 18462 210 1 . 1 1 509 509 LEU N N 509 127.365 127.365 123.681 3.684 18462 211 1 . 1 1 509 509 LEU HA H 509 3.216 3.216 3.425 -0.209 18462 212 1 . 1 1 509 509 LEU C C 509 176.740 176.740 177.700 -0.960 18462 213 1 . 1 1 509 509 LEU CA C 509 57.351 57.351 57.876 -0.525 18462 214 1 . 1 1 509 509 LEU CB C 509 39.074 39.074 41.740 -2.666 18462 215 1 . 1 1 509 509 LEU H H 509 7.114 7.114 7.252 -0.138 18462 216 1 . 1 1 510 510 ARG N N 510 119.955 119.955 118.382 1.573 18462 217 1 . 1 1 510 510 ARG HA H 510 3.843 3.843 3.925 -0.082 18462 218 1 . 1 1 510 510 ARG C C 510 178.472 178.472 178.852 -0.380 18462 219 1 . 1 1 510 510 ARG CA C 510 61.766 61.766 58.030 3.736 18462 220 1 . 1 1 510 510 ARG CB C 510 28.992 28.992 28.960 0.032 18462 221 1 . 1 1 510 510 ARG H H 510 8.100 8.100 8.444 -0.344 18462 222 1 . 1 1 511 511 ARG N N 511 120.947 120.947 118.686 2.261 18462 223 1 . 1 1 511 511 ARG HA H 511 4.078 4.078 3.893 0.185 18462 224 1 . 1 1 511 511 ARG C C 511 178.262 178.262 178.051 0.211 18462 225 1 . 1 1 511 511 ARG CA C 511 59.054 59.054 59.115 -0.061 18462 226 1 . 1 1 511 511 ARG CB C 511 29.695 29.695 29.950 -0.255 18462 227 1 . 1 1 511 511 ARG H H 511 7.802 7.802 7.859 -0.057 18462 228 1 . 1 1 512 512 HIS N N 512 116.820 116.820 118.106 -1.286 18462 229 1 . 1 1 512 512 HIS HA H 512 4.219 4.219 4.255 -0.037 18462 230 1 . 1 1 512 512 HIS C C 512 178.069 178.069 177.292 0.777 18462 231 1 . 1 1 512 512 HIS CA C 512 57.507 57.507 58.671 -1.164 18462 232 1 . 1 1 512 512 HIS CB C 512 27.390 27.390 29.988 -2.597 18462 233 1 . 1 1 512 512 HIS H H 512 7.809 7.809 7.823 -0.014 18462 234 1 . 1 1 513 513 PHE N N 513 118.415 118.415 120.871 -2.456 18462 235 1 . 1 1 513 513 PHE HA H 513 3.620 3.620 3.944 -0.325 18462 236 1 . 1 1 513 513 PHE C C 513 176.026 176.026 176.558 -0.532 18462 237 1 . 1 1 513 513 PHE CA C 513 61.102 61.102 61.425 -0.323 18462 238 1 . 1 1 513 513 PHE CB C 513 38.996 38.996 38.969 0.027 18462 239 1 . 1 1 513 513 PHE H H 513 8.898 8.898 8.836 0.062 18462 240 1 . 1 1 514 514 ASN N N 514 114.080 114.080 118.796 -4.716 18462 241 1 . 1 1 514 514 ASN HA H 514 4.988 4.988 4.319 0.669 18462 242 1 . 1 1 514 514 ASN C C 514 176.236 176.236 177.201 -0.965 18462 243 1 . 1 1 514 514 ASN CA C 514 55.006 55.006 55.715 -0.709 18462 244 1 . 1 1 514 514 ASN CB C 514 40.129 40.129 38.503 1.626 18462 245 1 . 1 1 514 514 ASN H H 514 8.678 8.678 7.708 0.970 18462 246 1 . 1 1 515 515 ILE N N 515 114.035 114.035 118.259 -4.224 18462 247 1 . 1 1 515 515 ILE HA H 515 2.997 2.997 3.172 -0.175 18462 248 1 . 1 1 515 515 ILE C C 515 176.292 176.292 176.170 0.122 18462 249 1 . 1 1 515 515 ILE CA C 515 63.447 63.447 63.479 -0.032 18462 250 1 . 1 1 515 515 ILE CB C 515 37.198 37.198 37.468 -0.270 18462 251 1 . 1 1 515 515 ILE H H 515 7.919 7.919 7.799 0.120 18462 252 1 . 1 1 516 516 HIS N N 516 113.136 113.136 117.478 -4.342 18462 253 1 . 1 1 516 516 HIS HA H 516 4.767 4.767 4.564 0.203 18462 254 1 . 1 1 516 516 HIS C C 516 175.870 175.870 177.208 -1.338 18462 255 1 . 1 1 516 516 HIS CA C 516 54.542 54.542 58.164 -3.622 18462 256 1 . 1 1 516 516 HIS CB C 516 27.585 27.585 30.186 -2.601 18462 257 1 . 1 1 516 516 HIS H H 516 7.170 7.170 7.514 -0.344 18462 258 1 . 1 1 517 517 SER N N 517 112.852 112.852 114.201 -1.349 18462 259 1 . 1 1 517 517 SER HA H 517 4.359 4.359 4.317 0.042 18462 260 1 . 1 1 517 517 SER C C 517 177.067 177.067 175.538 1.529 18462 261 1 . 1 1 517 517 SER CA C 517 58.758 58.758 59.935 -1.177 18462 262 1 . 1 1 517 517 SER CB C 517 63.447 63.447 64.158 -0.711 18462 263 1 . 1 1 517 517 SER H H 517 7.886 7.886 7.795 0.091 18462 264 1 . 1 1 518 518 TRP N N 518 122.824 122.824 119.856 2.968 18462 265 1 . 1 1 518 518 TRP HA H 518 4.005 4.005 4.392 -0.387 18462 266 1 . 1 1 518 518 TRP C C 518 175.133 175.133 176.283 -1.150 18462 267 1 . 1 1 518 518 TRP CA C 518 57.820 57.820 58.558 -0.738 18462 268 1 . 1 1 518 518 TRP CB C 518 25.710 25.710 26.655 -0.945 18462 269 1 . 1 1 518 518 TRP H H 518 9.274 9.274 7.718 1.556 18462 270 1 . 1 1 519 519 GLU N N 519 119.673 119.673 116.592 3.081 18462 271 1 . 1 1 519 519 GLU HA H 519 4.042 4.042 4.153 -0.111 18462 272 1 . 1 1 519 519 GLU C C 519 175.353 175.353 176.556 -1.203 18462 273 1 . 1 1 519 519 GLU CA C 519 58.758 58.758 58.121 0.637 18462 274 1 . 1 1 519 519 GLU CB C 519 29.695 29.695 30.242 -0.547 18462 275 1 . 1 1 519 519 GLU H H 519 7.828 7.828 7.849 -0.021 18462 276 1 . 1 1 520 520 LYS N N 520 118.358 118.358 119.409 -1.051 18462 277 1 . 1 1 520 520 LYS HA H 520 4.544 4.544 4.396 0.148 18462 278 1 . 1 1 520 520 LYS C C 520 178.036 178.036 174.744 3.292 18462 279 1 . 1 1 520 520 LYS CA C 520 53.845 53.845 54.961 -1.116 18462 280 1 . 1 1 520 520 LYS CB C 520 34.385 34.385 34.123 0.262 18462 281 1 . 1 1 520 520 LYS H H 520 9.085 9.085 8.032 1.053 18462 282 1 . 1 1 521 521 LYS N N 521 118.859 118.859 122.555 -3.696 18462 283 1 . 1 1 521 521 LYS HA H 521 4.658 4.658 4.439 0.219 18462 284 1 . 1 1 521 521 LYS C C 521 175.168 175.168 175.884 -0.716 18462 285 1 . 1 1 521 521 LYS CA C 521 54.537 54.537 55.309 -0.772 18462 286 1 . 1 1 521 521 LYS CB C 521 35.323 35.323 33.764 1.559 18462 287 1 . 1 1 521 521 LYS H H 521 8.238 8.238 8.259 -0.021 18462 288 1 . 1 1 522 522 TYR N N 522 117.305 117.305 121.386 -4.081 18462 289 1 . 1 1 522 522 TYR HA H 522 5.028 5.028 4.912 0.116 18462 290 1 . 1 1 522 522 TYR C C 522 175.016 175.016 173.975 1.041 18462 291 1 . 1 1 522 522 TYR CA C 522 54.537 54.537 55.112 -0.575 18462 292 1 . 1 1 522 522 TYR CB C 522 37.198 37.198 38.446 -1.248 18462 293 1 . 1 1 522 522 TYR H H 522 7.788 7.788 8.547 -0.759 18462 294 1 . 1 1 523 523 PRO HA H 523 5.026 5.026 4.922 0.104 18462 295 1 . 1 1 523 523 PRO CA C 523 61.806 61.806 62.352 -0.546 18462 296 1 . 1 1 523 523 PRO CB C 523 31.839 31.839 32.386 -0.548 18462 297 1 . 1 1 524 524 CYS N N 524 126.569 126.569 123.637 2.932 18462 298 1 . 1 1 524 524 CYS HA H 524 4.739 4.739 4.760 -0.021 18462 299 1 . 1 1 524 524 CYS C C 524 176.841 176.841 176.269 0.572 18462 300 1 . 1 1 524 524 CYS CA C 524 60.290 60.290 58.016 2.274 18462 301 1 . 1 1 524 524 CYS CB C 524 29.344 29.344 29.564 -0.220 18462 302 1 . 1 1 524 524 CYS H H 524 9.210 9.210 8.659 0.551 18462 303 1 . 1 1 525 525 ARG N N 525 130.294 130.294 124.794 5.500 18462 304 1 . 1 1 525 525 ARG HA H 525 4.285 4.285 4.167 0.118 18462 305 1 . 1 1 525 525 ARG C C 525 176.390 176.390 177.252 -0.862 18462 306 1 . 1 1 525 525 ARG CA C 525 58.043 58.043 57.780 0.263 18462 307 1 . 1 1 525 525 ARG CB C 525 27.576 27.576 30.009 -2.433 18462 308 1 . 1 1 525 525 ARG H H 525 9.724 9.724 9.267 0.457 18462 309 1 . 1 1 526 526 TYR N N 526 122.622 122.622 117.594 5.028 18462 310 1 . 1 1 526 526 TYR HA H 526 4.517 4.517 4.352 0.165 18462 311 1 . 1 1 526 526 TYR C C 526 176.659 176.659 175.834 0.825 18462 312 1 . 1 1 526 526 TYR CA C 526 58.054 58.054 58.223 -0.169 18462 313 1 . 1 1 526 526 TYR CB C 526 37.628 37.628 38.101 -0.473 18462 314 1 . 1 1 526 526 TYR H H 526 10.439 10.439 8.153 2.286 18462 315 1 . 1 1 527 527 CYS N N 527 122.873 122.873 115.654 7.219 18462 316 1 . 1 1 527 527 CYS HA H 527 5.153 5.153 4.926 0.227 18462 317 1 . 1 1 527 527 CYS C C 527 175.243 175.243 174.570 0.673 18462 318 1 . 1 1 527 527 CYS CA C 527 58.148 58.148 56.164 1.984 18462 319 1 . 1 1 527 527 CYS CB C 527 30.164 30.164 31.493 -1.329 18462 320 1 . 1 1 527 527 CYS H H 527 8.462 8.462 7.598 0.864 18462 321 1 . 1 1 528 528 GLU N N 528 115.906 115.906 118.757 -2.851 18462 322 1 . 1 1 528 528 GLU HA H 528 4.453 4.453 4.212 0.241 18462 323 1 . 1 1 528 528 GLU C C 528 173.484 173.484 176.139 -2.655 18462 324 1 . 1 1 528 528 GLU CA C 528 57.390 57.390 56.415 0.975 18462 325 1 . 1 1 528 528 GLU CB C 528 29.608 29.608 28.710 0.898 18462 326 1 . 1 1 528 528 GLU H H 528 8.704 8.704 8.626 0.078 18462 327 1 . 1 1 529 529 LYS N N 529 125.068 125.068 121.350 3.718 18462 328 1 . 1 1 529 529 LYS HA H 529 4.041 4.041 4.263 -0.222 18462 329 1 . 1 1 529 529 LYS C C 529 176.881 176.881 174.814 2.067 18462 330 1 . 1 1 529 529 LYS CA C 529 57.585 57.585 56.413 1.172 18462 331 1 . 1 1 529 529 LYS CB C 529 33.212 33.212 33.540 -0.328 18462 332 1 . 1 1 529 529 LYS H H 529 8.696 8.696 7.569 1.127 18462 333 1 . 1 1 530 530 VAL N N 530 119.525 119.525 122.276 -2.751 18462 334 1 . 1 1 530 530 VAL HA H 530 4.541 4.541 4.411 0.130 18462 335 1 . 1 1 530 530 VAL C C 530 175.118 175.118 175.468 -0.350 18462 336 1 . 1 1 530 530 VAL CA C 530 60.633 60.633 61.084 -0.451 18462 337 1 . 1 1 530 530 VAL CB C 530 34.150 34.150 33.955 0.195 18462 338 1 . 1 1 530 530 VAL H H 530 8.054 8.054 8.215 -0.161 18462 339 1 . 1 1 531 531 PHE N N 531 122.568 122.568 126.124 -3.556 18462 340 1 . 1 1 531 531 PHE C C 531 174.185 174.185 174.581 -0.396 18462 341 1 . 1 1 531 531 PHE CA C 531 55.586 55.586 55.229 0.357 18462 342 1 . 1 1 531 531 PHE CB C 531 41.184 41.184 40.581 0.603 18462 343 1 . 1 1 531 531 PHE H H 531 8.167 8.167 8.741 -0.574 18462 344 1 . 1 1 532 532 PRO HA H 532 4.359 4.359 4.075 0.284 18462 345 1 . 1 1 532 532 PRO CA C 532 62.216 62.216 62.939 -0.723 18462 346 1 . 1 1 532 532 PRO CB C 532 29.930 29.930 31.879 -1.949 18462 347 1 . 1 1 533 533 LEU N N 533 122.335 122.335 117.799 4.536 18462 348 1 . 1 1 533 533 LEU HA H 533 4.086 4.086 4.178 -0.092 18462 349 1 . 1 1 533 533 LEU C C 533 175.091 175.091 176.652 -1.561 18462 350 1 . 1 1 533 533 LEU CA C 533 55.006 55.006 53.069 1.937 18462 351 1 . 1 1 533 533 LEU CB C 533 43.529 43.529 44.501 -0.972 18462 352 1 . 1 1 533 533 LEU H H 533 6.587 6.587 7.452 -0.865 18462 353 1 . 1 1 534 534 ALA N N 534 126.722 126.722 125.686 1.036 18462 354 1 . 1 1 534 534 ALA HA H 534 2.993 2.993 3.408 -0.415 18462 355 1 . 1 1 534 534 ALA C C 534 175.439 175.439 178.824 -3.385 18462 356 1 . 1 1 534 534 ALA CA C 534 54.537 54.537 54.861 -0.324 18462 357 1 . 1 1 534 534 ALA CB C 534 18.452 18.452 17.518 0.934 18462 358 1 . 1 1 534 534 ALA H H 534 7.698 7.698 8.001 -0.303 18462 359 1 . 1 1 535 535 GLU N N 535 119.354 119.354 118.435 0.919 18462 360 1 . 1 1 535 535 GLU HA H 535 4.675 4.675 4.021 0.654 18462 361 1 . 1 1 535 535 GLU C C 535 180.126 180.126 178.394 1.732 18462 362 1 . 1 1 535 535 GLU CA C 535 58.526 58.526 59.263 -0.737 18462 363 1 . 1 1 535 535 GLU H H 535 9.535 9.535 8.684 0.851 18462 364 1 . 1 1 536 536 TYR N N 536 114.592 114.592 119.055 -4.463 18462 365 1 . 1 1 536 536 TYR HA H 536 4.368 4.368 4.135 0.233 18462 366 1 . 1 1 536 536 TYR C C 536 178.004 178.004 177.890 0.114 18462 367 1 . 1 1 536 536 TYR CA C 536 56.179 56.179 58.445 -2.267 18462 368 1 . 1 1 536 536 TYR CB C 536 35.556 35.556 37.131 -1.575 18462 369 1 . 1 1 536 536 TYR H H 536 6.552 6.552 8.039 -1.487 18462 370 1 . 1 1 537 537 ARG N N 537 119.820 119.820 119.475 0.345 18462 371 1 . 1 1 537 537 ARG HA H 537 3.209 3.209 3.578 -0.369 18462 372 1 . 1 1 537 537 ARG C C 537 179.469 179.469 178.295 1.174 18462 373 1 . 1 1 537 537 ARG CA C 537 59.131 59.131 59.740 -0.609 18462 374 1 . 1 1 537 537 ARG CB C 537 27.179 27.179 29.759 -2.580 18462 375 1 . 1 1 537 537 ARG H H 537 7.016 7.016 7.442 -0.426 18462 376 1 . 1 1 538 538 THR N N 538 120.080 120.080 117.175 2.904 18462 377 1 . 1 1 538 538 THR HA H 538 3.939 3.939 4.045 -0.106 18462 378 1 . 1 1 538 538 THR C C 538 177.538 177.538 176.774 0.764 18462 379 1 . 1 1 538 538 THR CA C 538 66.026 66.026 66.894 -0.868 18462 380 1 . 1 1 538 538 THR CB C 538 66.964 66.964 68.505 -1.541 18462 381 1 . 1 1 538 538 THR H H 538 8.410 8.410 8.252 0.158 18462 382 1 . 1 1 539 539 LYS N N 539 117.252 117.252 119.657 -2.405 18462 383 1 . 1 1 539 539 LYS HA H 539 4.054 4.054 4.102 -0.048 18462 384 1 . 1 1 539 539 LYS C C 539 176.139 176.139 179.025 -2.886 18462 385 1 . 1 1 539 539 LYS CA C 539 57.116 57.116 58.523 -1.407 18462 386 1 . 1 1 539 539 LYS CB C 539 31.859 31.859 31.776 0.083 18462 387 1 . 1 1 539 539 LYS H H 539 8.012 8.012 8.357 -0.345 18462 388 1 . 1 1 540 540 HIS N N 540 118.983 118.983 119.899 -0.916 18462 389 1 . 1 1 540 540 HIS HA H 540 4.548 4.548 4.313 0.235 18462 390 1 . 1 1 540 540 HIS C C 540 179.568 179.568 177.509 2.059 18462 391 1 . 1 1 540 540 HIS CA C 540 58.758 58.758 59.569 -0.811 18462 392 1 . 1 1 540 540 HIS CB C 540 28.260 28.260 29.905 -1.645 18462 393 1 . 1 1 540 540 HIS H H 540 7.536 7.536 7.996 -0.460 18462 394 1 . 1 1 541 541 GLU N N 541 122.073 122.073 119.768 2.305 18462 395 1 . 1 1 541 541 GLU HA H 541 4.215 4.215 4.321 -0.106 18462 396 1 . 1 1 541 541 GLU C C 541 177.829 177.829 178.992 -1.163 18462 397 1 . 1 1 541 541 GLU CA C 541 61.181 61.181 59.233 1.948 18462 398 1 . 1 1 541 541 GLU CB C 541 29.712 29.712 29.730 -0.018 18462 399 1 . 1 1 541 541 GLU H H 541 9.540 9.540 8.509 1.031 18462 400 1 . 1 1 542 542 ILE N N 542 121.307 121.307 120.182 1.125 18462 401 1 . 1 1 542 542 ILE HA H 542 4.335 4.335 3.805 0.530 18462 402 1 . 1 1 542 542 ILE C C 542 179.666 179.666 177.675 1.991 18462 403 1 . 1 1 542 542 ILE CA C 542 61.806 61.806 65.315 -3.509 18462 404 1 . 1 1 542 542 ILE CB C 542 36.729 36.729 38.101 -1.372 18462 405 1 . 1 1 542 542 ILE H H 542 8.275 8.275 8.441 -0.166 18462 406 1 . 1 1 543 543 HIS N N 543 118.514 118.514 118.287 0.227 18462 407 1 . 1 1 543 543 HIS HA H 543 4.257 4.257 4.295 -0.038 18462 408 1 . 1 1 543 543 HIS C C 543 178.283 178.283 177.071 1.212 18462 409 1 . 1 1 543 543 HIS CA C 543 58.758 58.758 58.858 -0.100 18462 410 1 . 1 1 543 543 HIS CB C 543 26.882 26.882 29.752 -2.870 18462 411 1 . 1 1 543 543 HIS H H 543 7.744 7.744 7.613 0.131 18462 412 1 . 1 1 544 544 HIS N N 544 115.805 115.805 116.768 -0.963 18462 413 1 . 1 1 544 544 HIS HA H 544 4.317 4.317 4.372 -0.055 18462 414 1 . 1 1 544 544 HIS C C 544 178.058 178.058 176.865 1.193 18462 415 1 . 1 1 544 544 HIS CA C 544 58.054 58.054 58.640 -0.586 18462 416 1 . 1 1 544 544 HIS CB C 544 36.882 36.882 30.175 6.707 18462 417 1 . 1 1 544 544 HIS H H 544 7.537 7.537 7.659 -0.122 18462 418 1 . 1 1 545 545 THR N N 545 109.469 109.469 110.150 -0.681 18462 419 1 . 1 1 545 545 THR HA H 545 4.184 4.184 4.146 0.038 18462 420 1 . 1 1 545 545 THR C C 545 177.277 177.277 175.939 1.338 18462 421 1 . 1 1 545 545 THR CA C 545 62.509 62.509 63.235 -0.726 18462 422 1 . 1 1 545 545 THR CB C 545 68.839 68.839 69.786 -0.947 18462 423 1 . 1 1 545 545 THR H H 545 7.991 7.991 7.954 0.037 18462 424 1 . 1 1 546 546 GLY N N 546 113.407 113.407 110.439 2.968 18462 425 1 . 1 1 546 546 GLY C C 546 177.501 177.501 173.833 3.668 18462 426 1 . 1 1 546 546 GLY CA C 546 44.935 44.935 45.199 -0.264 18462 427 1 . 1 1 546 546 GLY H H 546 8.530 8.530 8.039 0.491 18462 428 1 . 1 1 547 547 GLU N N 547 123.901 123.901 120.691 3.210 18462 429 1 . 1 1 547 547 GLU HA H 547 3.913 3.913 4.087 -0.174 18462 430 1 . 1 1 547 547 GLU C C 547 173.687 173.687 176.158 -2.471 18462 431 1 . 1 1 547 547 GLU CA C 547 56.413 56.413 56.627 -0.214 18462 432 1 . 1 1 547 547 GLU CB C 547 29.123 29.123 30.180 -1.057 18462 433 1 . 1 1 547 547 GLU H H 547 7.301 7.301 7.606 -0.305 18462 434 1 . 1 1 548 548 ARG N N 548 128.505 128.505 126.910 1.595 18462 435 1 . 1 1 548 548 ARG HA H 548 4.444 4.444 4.467 -0.024 18462 436 1 . 1 1 548 548 ARG C C 548 175.180 175.180 176.301 -1.121 18462 437 1 . 1 1 548 548 ARG CA C 548 55.059 55.059 56.072 -1.013 18462 438 1 . 1 1 548 548 ARG CB C 548 29.227 29.227 29.648 -0.421 18462 439 1 . 1 1 548 548 ARG H H 548 8.752 8.752 8.511 0.241 18462 440 1 . 1 1 549 549 ARG N N 549 121.815 121.815 120.353 1.462 18462 441 1 . 1 1 549 549 ARG HA H 549 4.205 4.205 4.465 -0.260 18462 442 1 . 1 1 549 549 ARG C C 549 175.850 175.850 176.124 -0.274 18462 443 1 . 1 1 549 549 ARG CA C 549 57.350 57.350 57.069 0.281 18462 444 1 . 1 1 549 549 ARG CB C 549 32.980 32.980 32.247 0.733 18462 445 1 . 1 1 549 549 ARG H H 549 9.440 9.440 8.507 0.933 18462 446 1 . 1 1 550 550 TYR N N 550 116.087 116.087 120.092 -4.005 18462 447 1 . 1 1 550 550 TYR C C 550 176.129 176.129 174.856 1.273 18462 448 1 . 1 1 550 550 TYR CA C 550 58.169 58.169 57.591 0.578 18462 449 1 . 1 1 550 550 TYR CB C 550 38.994 38.994 37.746 1.248 18462 450 1 . 1 1 550 550 TYR H H 550 8.287 8.287 8.099 0.188 18462 451 1 . 1 1 551 551 GLN N N 551 125.096 125.096 124.719 0.377 18462 452 1 . 1 1 551 551 GLN HA H 551 5.275 5.275 4.995 0.280 18462 453 1 . 1 1 551 551 GLN C C 551 175.080 175.080 174.831 0.249 18462 454 1 . 1 1 551 551 GLN CA C 551 53.610 53.610 54.433 -0.823 18462 455 1 . 1 1 551 551 GLN CB C 551 31.152 31.152 31.806 -0.654 18462 456 1 . 1 1 551 551 GLN H H 551 9.656 9.656 9.262 0.394 18462 457 1 . 1 1 552 552 CYS N N 552 128.697 128.697 126.289 2.408 18462 458 1 . 1 1 552 552 CYS HA H 552 4.584 4.584 4.835 -0.251 18462 459 1 . 1 1 552 552 CYS C C 552 175.231 175.231 175.412 -0.180 18462 460 1 . 1 1 552 552 CYS CA C 552 59.461 59.461 59.775 -0.314 18462 461 1 . 1 1 552 552 CYS CB C 552 29.695 29.695 28.064 1.631 18462 462 1 . 1 1 552 552 CYS H H 552 9.427 9.427 9.232 0.195 18462 463 1 . 1 1 553 553 LEU N N 553 130.168 130.168 126.030 4.138 18462 464 1 . 1 1 553 553 LEU HA H 553 4.396 4.396 4.437 -0.041 18462 465 1 . 1 1 553 553 LEU C C 553 177.402 177.402 177.975 -0.573 18462 466 1 . 1 1 553 553 LEU CA C 553 55.710 55.710 56.306 -0.596 18462 467 1 . 1 1 553 553 LEU CB C 553 40.246 40.246 42.102 -1.855 18462 468 1 . 1 1 553 553 LEU H H 553 8.632 8.632 8.998 -0.366 18462 469 1 . 1 1 554 554 ALA N N 554 125.048 125.048 122.976 2.072 18462 470 1 . 1 1 554 554 ALA HA H 554 4.295 4.295 4.102 0.193 18462 471 1 . 1 1 554 554 ALA C C 554 177.657 177.657 178.157 -0.500 18462 472 1 . 1 1 554 554 ALA CA C 554 53.610 53.610 54.304 -0.694 18462 473 1 . 1 1 554 554 ALA CB C 554 16.577 16.577 18.787 -2.210 18462 474 1 . 1 1 554 554 ALA H H 554 8.847 8.847 8.257 0.590 18462 475 1 . 1 1 555 555 CYS N N 555 113.388 113.388 112.557 0.831 18462 476 1 . 1 1 555 555 CYS HA H 555 5.299 5.299 4.999 0.300 18462 477 1 . 1 1 555 555 CYS C C 555 178.854 178.854 175.947 2.907 18462 478 1 . 1 1 555 555 CYS CA C 555 57.820 57.820 57.390 0.429 18462 479 1 . 1 1 555 555 CYS CB C 555 31.665 31.665 29.464 2.201 18462 480 1 . 1 1 555 555 CYS H H 555 8.146 8.146 7.905 0.241 18462 481 1 . 1 1 556 556 GLY N N 556 114.264 114.264 110.004 4.260 18462 482 1 . 1 1 556 556 GLY C C 556 176.084 176.084 174.570 1.514 18462 483 1 . 1 1 556 556 GLY CA C 556 45.639 45.639 45.440 0.199 18462 484 1 . 1 1 556 556 GLY H H 556 8.104 8.104 8.528 -0.424 18462 485 1 . 1 1 557 557 LYS N N 557 123.318 123.318 121.483 1.835 18462 486 1 . 1 1 557 557 LYS HA H 557 4.110 4.110 4.117 -0.007 18462 487 1 . 1 1 557 557 LYS C C 557 174.300 174.300 175.691 -1.391 18462 488 1 . 1 1 557 557 LYS CA C 557 57.585 57.585 56.654 0.931 18462 489 1 . 1 1 557 557 LYS CB C 557 33.447 33.447 33.018 0.429 18462 490 1 . 1 1 557 557 LYS H H 557 8.043 8.043 7.571 0.472 18462 491 1 . 1 1 558 558 SER N N 558 115.947 115.947 117.116 -1.169 18462 492 1 . 1 1 558 558 SER HA H 558 5.661 5.661 5.080 0.581 18462 493 1 . 1 1 558 558 SER C C 558 174.321 174.321 173.326 0.995 18462 494 1 . 1 1 558 558 SER CA C 558 56.179 56.179 57.170 -0.991 18462 495 1 . 1 1 558 558 SER CB C 558 65.088 65.088 65.134 -0.046 18462 496 1 . 1 1 558 558 SER H H 558 7.864 7.864 8.178 -0.314 18462 497 1 . 1 1 559 559 PHE N N 559 117.815 117.815 121.013 -3.198 18462 498 1 . 1 1 559 559 PHE HA H 559 4.781 4.781 4.797 -0.016 18462 499 1 . 1 1 559 559 PHE C C 559 173.632 173.632 175.731 -2.099 18462 500 1 . 1 1 559 559 PHE CA C 559 56.687 56.687 57.029 -0.342 18462 501 1 . 1 1 559 559 PHE CB C 559 44.232 44.232 42.098 2.134 18462 502 1 . 1 1 559 559 PHE H H 559 9.488 9.488 9.026 0.462 18462 503 1 . 1 1 560 560 ILE N N 560 118.092 118.092 119.613 -1.521 18462 504 1 . 1 1 560 560 ILE HA H 560 4.470 4.470 4.190 0.280 18462 505 1 . 1 1 560 560 ILE C C 560 175.986 175.986 174.739 1.247 18462 506 1 . 1 1 560 560 ILE CA C 560 62.040 62.040 62.839 -0.799 18462 507 1 . 1 1 560 560 ILE CB C 560 39.308 39.308 38.418 0.889 18462 508 1 . 1 1 560 560 ILE H H 560 9.306 9.306 8.573 0.733 18462 509 1 . 1 1 561 561 ASN N N 561 114.751 114.751 112.876 1.875 18462 510 1 . 1 1 561 561 ASN HA H 561 4.683 4.683 4.850 -0.167 18462 511 1 . 1 1 561 561 ASN C C 561 175.350 175.350 174.310 1.039 18462 512 1 . 1 1 561 561 ASN CA C 561 50.797 50.797 51.705 -0.908 18462 513 1 . 1 1 561 561 ASN CB C 561 39.777 39.777 39.814 -0.037 18462 514 1 . 1 1 561 561 ASN H H 561 7.387 7.387 7.618 -0.231 18462 515 1 . 1 1 562 562 TYR N N 562 118.833 118.833 120.707 -1.874 18462 516 1 . 1 1 562 562 TYR C C 562 172.730 172.730 176.899 -4.169 18462 517 1 . 1 1 562 562 TYR CA C 562 59.907 59.907 61.968 -2.061 18462 518 1 . 1 1 562 562 TYR CB C 562 38.480 38.480 38.233 0.247 18462 519 1 . 1 1 562 562 TYR H H 562 8.243 8.243 8.527 -0.284 18462 520 1 . 1 1 563 563 GLN N N 563 119.525 119.525 118.209 1.316 18462 521 1 . 1 1 563 563 GLN HA H 563 3.720 3.720 3.934 -0.214 18462 522 1 . 1 1 563 563 GLN C C 563 176.326 176.326 178.292 -1.966 18462 523 1 . 1 1 563 563 GLN CA C 563 61.102 61.102 59.682 1.420 18462 524 1 . 1 1 563 563 GLN CB C 563 25.450 25.450 27.706 -2.256 18462 525 1 . 1 1 563 563 GLN H H 563 8.524 8.524 8.404 0.120 18462 526 1 . 1 1 564 564 PHE N N 564 118.625 118.625 119.729 -1.104 18462 527 1 . 1 1 564 564 PHE HA H 564 4.427 4.427 4.154 0.273 18462 528 1 . 1 1 564 564 PHE C C 564 179.429 179.429 177.571 1.858 18462 529 1 . 1 1 564 564 PHE CA C 564 59.461 59.461 60.687 -1.226 18462 530 1 . 1 1 564 564 PHE CB C 564 38.488 38.488 38.660 -0.172 18462 531 1 . 1 1 564 564 PHE H H 564 8.904 8.904 8.961 -0.057 18462 532 1 . 1 1 565 565 MET N N 565 120.996 120.996 119.840 1.156 18462 533 1 . 1 1 565 565 MET HA H 565 3.720 3.720 3.075 0.645 18462 534 1 . 1 1 565 565 MET C C 565 178.642 178.642 177.644 0.998 18462 535 1 . 1 1 565 565 MET CA C 565 58.037 58.037 58.384 -0.347 18462 536 1 . 1 1 565 565 MET H H 565 7.153 7.153 7.824 -0.671 18462 537 1 . 1 1 566 566 SER N N 566 115.706 115.706 114.907 0.799 18462 538 1 . 1 1 566 566 SER HA H 566 3.720 3.720 3.799 -0.079 18462 539 1 . 1 1 566 566 SER C C 566 176.710 176.710 176.442 0.268 18462 540 1 . 1 1 566 566 SER CA C 566 60.633 60.633 61.399 -0.766 18462 541 1 . 1 1 566 566 SER CB C 566 62.040 62.040 62.634 -0.594 18462 542 1 . 1 1 566 566 SER H H 566 8.918 8.918 8.222 0.696 18462 543 1 . 1 1 567 567 SER N N 567 114.335 114.335 117.253 -2.918 18462 544 1 . 1 1 567 567 SER HA H 567 4.212 4.212 4.017 0.195 18462 545 1 . 1 1 567 567 SER C C 567 176.849 176.849 176.494 0.355 18462 546 1 . 1 1 567 567 SER CA C 567 60.868 60.868 61.385 -0.517 18462 547 1 . 1 1 567 567 SER CB C 567 61.806 61.806 63.111 -1.305 18462 548 1 . 1 1 567 567 SER H H 567 7.933 7.933 7.734 0.199 18462 549 1 . 1 1 568 568 HIS N N 568 120.659 120.659 122.148 -1.489 18462 550 1 . 1 1 568 568 HIS HA H 568 4.327 4.327 4.271 0.056 18462 551 1 . 1 1 568 568 HIS C C 568 177.652 177.652 177.424 0.229 18462 552 1 . 1 1 568 568 HIS CA C 568 58.992 58.992 59.343 -0.351 18462 553 1 . 1 1 568 568 HIS CB C 568 27.234 27.234 29.317 -2.083 18462 554 1 . 1 1 568 568 HIS H H 568 7.594 7.594 8.085 -0.491 18462 555 1 . 1 1 569 569 ILE N N 569 120.858 120.858 119.804 1.054 18462 556 1 . 1 1 569 569 ILE HA H 569 3.562 3.562 3.540 0.022 18462 557 1 . 1 1 569 569 ILE C C 569 175.925 175.925 178.256 -2.331 18462 558 1 . 1 1 569 569 ILE CA C 569 66.729 66.729 65.218 1.511 18462 559 1 . 1 1 569 569 ILE CB C 569 37.198 37.198 37.783 -0.585 18462 560 1 . 1 1 569 569 ILE H H 569 8.640 8.640 8.169 0.471 18462 561 1 . 1 1 570 570 LYS N N 570 118.876 118.876 119.972 -1.096 18462 562 1 . 1 1 570 570 LYS HA H 570 4.329 4.329 4.163 0.166 18462 563 1 . 1 1 570 570 LYS C C 570 178.927 178.927 179.225 -0.298 18462 564 1 . 1 1 570 570 LYS CA C 570 59.461 59.461 59.519 -0.058 18462 565 1 . 1 1 570 570 LYS CB C 570 32.743 32.743 32.527 0.216 18462 566 1 . 1 1 570 570 LYS H H 570 8.463 8.463 8.157 0.306 18462 567 1 . 1 1 571 571 SER N N 571 112.612 112.612 114.295 -1.683 18462 568 1 . 1 1 571 571 SER HA H 571 4.323 4.323 4.241 0.082 18462 569 1 . 1 1 571 571 SER C C 571 179.258 179.258 175.991 3.267 18462 570 1 . 1 1 571 571 SER CA C 571 59.930 59.930 61.267 -1.337 18462 571 1 . 1 1 571 571 SER CB C 571 62.978 62.978 63.340 -0.362 18462 572 1 . 1 1 571 571 SER H H 571 7.997 7.997 8.002 -0.005 18462 573 1 . 1 1 572 572 VAL N N 572 120.208 120.208 120.504 -0.296 18462 574 1 . 1 1 572 572 VAL HA H 572 3.789 3.789 3.784 0.005 18462 575 1 . 1 1 572 572 VAL C C 572 176.245 176.245 177.002 -0.758 18462 576 1 . 1 1 572 572 VAL CA C 572 63.916 63.916 64.458 -0.543 18462 577 1 . 1 1 572 572 VAL CB C 572 31.337 31.337 31.985 -0.648 18462 578 1 . 1 1 572 572 VAL H H 572 8.615 8.615 8.052 0.563 18462 579 1 . 1 1 573 573 HIS N N 573 113.735 113.735 116.104 -2.369 18462 580 1 . 1 1 573 573 HIS HA H 573 5.102 5.102 4.718 0.384 18462 581 1 . 1 1 573 573 HIS C C 573 177.042 177.042 175.163 1.879 18462 582 1 . 1 1 573 573 HIS CA C 573 53.376 53.376 55.466 -2.090 18462 583 1 . 1 1 573 573 HIS CB C 573 28.210 28.210 30.504 -2.294 18462 584 1 . 1 1 573 573 HIS H H 573 7.067 7.067 7.456 -0.388 18462 585 1 . 1 1 574 574 SER N N 574 112.537 112.537 113.002 -0.465 18462 586 1 . 1 1 574 574 SER HA H 574 4.421 4.421 4.253 0.168 18462 587 1 . 1 1 574 574 SER C C 574 174.525 174.525 173.809 0.716 18462 588 1 . 1 1 574 574 SER CA C 574 58.054 58.054 59.489 -1.435 18462 589 1 . 1 1 574 574 SER CB C 574 61.102 61.102 61.619 -0.517 18462 590 1 . 1 1 574 574 SER H H 574 7.325 7.325 8.075 -0.750 18462 591 1 . 1 1 575 575 GLN N N 575 117.032 117.032 118.007 -0.975 18462 592 1 . 1 1 575 575 GLN HA H 575 4.659 4.659 4.535 0.124 18462 593 1 . 1 1 575 575 GLN C C 575 173.993 173.993 173.697 0.296 18462 594 1 . 1 1 575 575 GLN CA C 575 53.376 53.376 54.246 -0.870 18462 595 1 . 1 1 575 575 GLN CB C 575 32.743 32.743 32.798 -0.055 18462 596 1 . 1 1 575 575 GLN H H 575 7.480 7.480 7.297 0.183 18462 597 1 . 1 1 576 576 ASP N N 576 118.953 118.953 120.871 -1.919 18462 598 1 . 1 1 576 576 ASP HA H 576 4.992 4.992 4.974 0.018 18462 599 1 . 1 1 576 576 ASP C C 576 173.387 173.387 176.104 -2.717 18462 600 1 . 1 1 576 576 ASP CA C 576 50.094 50.094 50.239 -0.145 18462 601 1 . 1 1 576 576 ASP CB C 576 41.301 41.301 41.867 -0.566 18462 602 1 . 1 1 576 576 ASP H H 576 8.173 8.173 8.610 -0.438 18462 603 1 . 1 1 577 577 PRO HA H 577 4.629 4.629 4.575 0.054 18462 604 1 . 1 1 577 577 PRO CA C 577 63.212 63.212 64.129 -0.917 18462 605 1 . 1 1 577 577 PRO CB C 577 31.806 31.806 32.279 -0.473 18462 606 1 . 1 1 578 578 SER N N 578 114.986 114.986 113.442 1.544 18462 607 1 . 1 1 578 578 SER HA H 578 4.820 4.820 4.469 0.351 18462 608 1 . 1 1 578 578 SER C C 578 176.301 176.301 175.560 0.741 18462 609 1 . 1 1 578 578 SER CA C 578 58.054 58.054 58.863 -0.809 18462 610 1 . 1 1 578 578 SER CB C 578 63.447 63.447 63.278 0.169 18462 611 1 . 1 1 578 578 SER H H 578 8.387 8.387 8.403 -0.016 18462 612 1 . 1 1 579 579 GLY N N 579 111.279 111.279 110.049 1.230 18462 613 1 . 1 1 579 579 GLY C C 579 175.262 175.262 173.779 1.483 18462 614 1 . 1 1 579 579 GLY CA C 579 44.935 44.935 44.697 0.238 18462 615 1 . 1 1 579 579 GLY H H 579 8.554 8.554 7.607 0.947 18462 616 1 . 1 1 580 580 ASP N N 580 121.402 121.402 119.658 1.744 18462 617 1 . 1 1 580 580 ASP HA H 580 4.700 4.700 4.751 -0.051 18462 618 1 . 1 1 580 580 ASP C C 580 174.329 174.329 176.317 -1.988 18462 619 1 . 1 1 580 580 ASP CA C 580 53.845 53.845 54.131 -0.286 18462 620 1 . 1 1 580 580 ASP CB C 580 40.012 40.012 40.272 -0.260 18462 621 1 . 1 1 580 580 ASP H H 580 8.386 8.386 8.460 -0.074 18462 622 1 . 1 1 581 581 SER N N 581 115.668 115.668 116.191 -0.523 18462 623 1 . 1 1 581 581 SER HA H 581 4.421 4.421 4.427 -0.006 18462 624 1 . 1 1 581 581 SER C C 581 176.108 176.108 174.271 1.837 18462 625 1 . 1 1 581 581 SER CA C 581 58.054 58.054 58.659 -0.605 18462 626 1 . 1 1 581 581 SER CB C 581 63.212 63.212 64.127 -0.915 18462 627 1 . 1 1 581 581 SER H H 581 8.015 8.015 8.216 -0.201 18462 628 1 . 1 1 582 582 LYS N N 582 120.544 120.544 119.715 0.829 18462 629 1 . 1 1 582 582 LYS HA H 582 4.329 4.329 3.968 0.361 18462 630 1 . 1 1 582 582 LYS C C 582 174.302 174.302 175.498 -1.196 18462 631 1 . 1 1 582 582 LYS CA C 582 55.944 55.944 56.877 -0.933 18462 632 1 . 1 1 582 582 LYS CB C 582 30.868 30.868 30.349 0.519 18462 633 1 . 1 1 582 582 LYS H H 582 8.453 8.453 8.331 0.122 18462 634 1 . 1 1 583 583 LEU N N 583 119.514 119.514 118.442 1.072 18462 635 1 . 1 1 583 583 LEU HA H 583 4.458 4.458 4.443 0.015 18462 636 1 . 1 1 583 583 LEU C C 583 176.924 176.924 175.384 1.540 18462 637 1 . 1 1 583 583 LEU CA C 583 54.303 54.303 54.544 -0.241 18462 638 1 . 1 1 583 583 LEU CB C 583 43.060 43.060 42.391 0.669 18462 639 1 . 1 1 583 583 LEU H H 583 8.391 8.391 8.347 0.044 18462 640 1 . 1 1 584 584 TYR N N 584 115.291 115.291 114.443 0.848 18462 641 1 . 1 1 584 584 TYR HA H 584 5.714 5.714 5.556 0.158 18462 642 1 . 1 1 584 584 TYR C C 584 175.675 175.675 173.688 1.988 18462 643 1 . 1 1 584 584 TYR CA C 584 54.303 54.303 55.114 -0.811 18462 644 1 . 1 1 584 584 TYR CB C 584 42.420 42.420 41.864 0.556 18462 645 1 . 1 1 584 584 TYR H H 584 7.625 7.625 7.152 0.473 18462 646 1 . 1 1 585 585 ARG N N 585 120.321 120.321 121.345 -1.024 18462 647 1 . 1 1 585 585 ARG HA H 585 4.407 4.407 4.624 -0.217 18462 648 1 . 1 1 585 585 ARG C C 585 172.342 172.342 173.971 -1.629 18462 649 1 . 1 1 585 585 ARG CA C 585 53.376 53.376 54.508 -1.132 18462 650 1 . 1 1 585 585 ARG CB C 585 33.916 33.916 34.596 -0.680 18462 651 1 . 1 1 585 585 ARG H H 585 9.141 9.141 9.030 0.111 18462 652 1 . 1 1 586 586 LEU N N 586 129.013 129.013 127.971 1.042 18462 653 1 . 1 1 586 586 LEU HA H 586 4.768 4.768 4.856 -0.088 18462 654 1 . 1 1 586 586 LEU C C 586 173.449 173.449 175.414 -1.965 18462 655 1 . 1 1 586 586 LEU CA C 586 52.438 52.438 53.845 -1.407 18462 656 1 . 1 1 586 586 LEU CB C 586 41.653 41.653 43.092 -1.439 18462 657 1 . 1 1 586 586 LEU H H 586 8.581 8.581 8.646 -0.065 18462 658 1 . 1 1 587 587 HIS N N 587 127.447 127.447 126.167 1.280 18462 659 1 . 1 1 587 587 HIS HA H 587 4.650 4.650 4.961 -0.311 18462 660 1 . 1 1 587 587 HIS C C 587 175.512 175.512 173.522 1.990 18462 661 1 . 1 1 587 587 HIS CA C 587 55.544 55.544 54.442 1.102 18462 662 1 . 1 1 587 587 HIS CB C 587 29.930 29.930 30.848 -0.918 18462 663 1 . 1 1 587 587 HIS H H 587 9.132 9.132 8.795 0.337 18462 664 1 . 1 1 588 588 PRO HA H 588 4.441 4.441 4.461 -0.020 18462 665 1 . 1 1 588 588 PRO CA C 588 62.509 62.509 63.324 -0.815 18462 666 1 . 1 1 588 588 PRO CB C 588 31.688 31.688 32.442 -0.754 18462 667 1 . 1 1 589 589 CYS N N 589 124.057 124.057 121.855 2.202 18462 668 1 . 1 1 589 589 CYS HA H 589 4.275 4.275 4.518 -0.243 18462 669 1 . 1 1 589 589 CYS C C 589 174.401 174.401 175.053 -0.652 18462 670 1 . 1 1 589 589 CYS CA C 589 58.289 58.289 57.994 0.295 18462 671 1 . 1 1 589 589 CYS CB C 589 26.413 26.413 28.822 -2.409 18462 672 1 . 1 1 589 589 CYS H H 589 9.475 9.475 8.653 0.822 18462 673 1 . 1 1 590 590 ARG N N 590 130.942 130.942 127.194 3.748 18462 674 1 . 1 1 590 590 ARG HA H 590 4.689 4.689 4.572 0.117 18462 675 1 . 1 1 590 590 ARG C C 590 175.091 175.091 177.028 -1.937 18462 676 1 . 1 1 590 590 ARG CA C 590 55.241 55.241 56.217 -0.976 18462 677 1 . 1 1 590 590 ARG CB C 590 30.633 30.633 31.058 -0.425 18462 678 1 . 1 1 590 590 ARG H H 590 7.227 7.227 9.186 -1.959 18462 679 1 . 1 1 591 591 SER N N 591 117.243 117.243 116.297 0.946 18462 680 1 . 1 1 591 591 SER HA H 591 4.342 4.342 4.330 0.012 18462 681 1 . 1 1 591 591 SER C C 591 178.367 178.367 174.457 3.910 18462 682 1 . 1 1 591 591 SER CA C 591 59.695 59.695 61.316 -1.621 18462 683 1 . 1 1 591 591 SER CB C 591 61.923 61.923 63.889 -1.966 18462 684 1 . 1 1 591 591 SER H H 591 9.571 9.571 8.851 0.720 18462 685 1 . 1 1 592 592 LEU N N 592 121.308 121.308 116.819 4.489 18462 686 1 . 1 1 592 592 LEU HA H 592 4.778 4.778 4.755 0.023 18462 687 1 . 1 1 592 592 LEU C C 592 173.260 173.260 175.405 -2.145 18462 688 1 . 1 1 592 592 LEU CA C 592 52.846 52.846 53.436 -0.590 18462 689 1 . 1 1 592 592 LEU CB C 592 45.404 45.404 43.639 1.765 18462 690 1 . 1 1 592 592 LEU H H 592 7.369 7.369 7.331 0.038 18462 691 1 . 1 1 593 593 GLN N N 593 122.109 122.109 120.120 1.989 18462 692 1 . 1 1 593 593 GLN HA H 593 4.564 4.564 4.493 0.071 18462 693 1 . 1 1 593 593 GLN C C 593 175.827 175.827 175.234 0.593 18462 694 1 . 1 1 593 593 GLN CA C 593 54.303 54.303 55.830 -1.528 18462 695 1 . 1 1 593 593 GLN CB C 593 26.882 26.882 28.000 -1.118 18462 696 1 . 1 1 593 593 GLN H H 593 8.599 8.599 8.464 0.135 18462 697 1 . 1 1 594 594 ILE N N 594 118.085 118.085 119.768 -1.683 18462 698 1 . 1 1 594 594 ILE HA H 594 4.755 4.755 4.567 0.188 18462 699 1 . 1 1 594 594 ILE C C 594 175.093 175.093 174.599 0.494 18462 700 1 . 1 1 594 594 ILE CA C 594 58.831 58.831 59.159 -0.328 18462 701 1 . 1 1 594 594 ILE CB C 594 42.591 42.591 40.806 1.785 18462 702 1 . 1 1 594 594 ILE H H 594 7.635 7.635 7.987 -0.352 18462 703 1 . 1 1 595 595 ARG N N 595 123.800 123.800 121.507 2.293 18462 704 1 . 1 1 595 595 ARG HA H 595 4.038 4.038 4.289 -0.251 18462 705 1 . 1 1 595 595 ARG C C 595 175.440 175.440 175.567 -0.127 18462 706 1 . 1 1 595 595 ARG CA C 595 56.386 56.386 56.034 0.352 18462 707 1 . 1 1 595 595 ARG CB C 595 30.516 30.516 30.614 -0.098 18462 708 1 . 1 1 595 595 ARG H H 595 9.075 9.075 8.255 0.820 18462 709 1 . 1 1 596 596 GLN N N 596 124.290 124.290 121.544 2.746 18462 710 1 . 1 1 596 596 GLN HA H 596 4.420 4.420 4.342 0.078 18462 711 1 . 1 1 596 596 GLN C C 596 174.630 174.630 174.789 -0.159 18462 712 1 . 1 1 596 596 GLN CA C 596 52.907 52.907 54.453 -1.546 18462 713 1 . 1 1 596 596 GLN CB C 596 30.164 30.164 29.886 0.278 18462 714 1 . 1 1 596 596 GLN H H 596 8.495 8.495 8.360 0.135 18462 715 1 . 1 1 597 597 TYR N N 597 121.829 121.829 121.284 0.545 18462 716 1 . 1 1 597 597 TYR HA H 597 4.767 4.767 4.216 0.551 18462 717 1 . 1 1 597 597 TYR C C 597 175.453 175.453 176.837 -1.384 18462 718 1 . 1 1 597 597 TYR CA C 597 57.467 57.467 57.834 -0.367 18462 719 1 . 1 1 597 597 TYR CB C 597 38.839 38.839 38.612 0.226 18462 720 1 . 1 1 597 597 TYR H H 597 7.966 7.966 8.272 -0.306 18462 721 1 . 1 1 598 598 ALA N N 598 129.272 129.272 125.314 3.958 18462 722 1 . 1 1 598 598 ALA HA H 598 4.191 4.191 4.078 0.113 18462 723 1 . 1 1 598 598 ALA C C 598 177.425 177.425 177.441 -0.016 18462 724 1 . 1 1 598 598 ALA CA C 598 54.040 54.040 54.261 -0.221 18462 725 1 . 1 1 598 598 ALA CB C 598 17.749 17.749 18.322 -0.573 18462 726 1 . 1 1 598 598 ALA H H 598 9.540 9.540 8.819 0.721 18462 727 1 . 1 1 599 599 TYR N N 599 115.845 115.845 112.066 3.779 18462 728 1 . 1 1 599 599 TYR HA H 599 4.560 4.560 4.496 0.064 18462 729 1 . 1 1 599 599 TYR C C 599 173.276 173.276 176.141 -2.865 18462 730 1 . 1 1 599 599 TYR CA C 599 58.172 58.172 58.390 -0.218 18462 731 1 . 1 1 599 599 TYR CB C 599 36.432 36.432 37.802 -1.370 18462 732 1 . 1 1 599 599 TYR H H 599 8.496 8.496 7.716 0.780 18462 733 1 . 1 1 600 600 LEU N N 600 120.764 120.764 119.089 1.675 18462 734 1 . 1 1 600 600 LEU HA H 600 4.260 4.260 4.372 -0.112 18462 735 1 . 1 1 600 600 LEU C C 600 176.164 176.164 178.270 -2.106 18462 736 1 . 1 1 600 600 LEU CA C 600 54.303 54.303 55.135 -0.832 18462 737 1 . 1 1 600 600 LEU CB C 600 41.419 41.419 41.290 0.129 18462 738 1 . 1 1 600 600 LEU H H 600 7.299 7.299 7.526 -0.227 18462 739 1 . 1 1 601 601 SER N N 601 114.419 114.419 113.305 1.115 18462 740 1 . 1 1 601 601 SER HA H 601 4.418 4.418 4.348 0.070 18462 741 1 . 1 1 601 601 SER C C 601 177.754 177.754 174.418 3.336 18462 742 1 . 1 1 601 601 SER CA C 601 58.054 58.054 59.574 -1.520 18462 743 1 . 1 1 601 601 SER CB C 601 63.212 63.212 63.637 -0.425 18462 744 1 . 1 1 601 601 SER H H 601 7.896 7.896 7.622 0.274 18462 745 1 . 1 1 602 602 ASP N N 602 122.293 122.293 120.505 1.788 18462 746 1 . 1 1 602 602 ASP HA H 602 4.651 4.651 4.686 -0.035 18462 747 1 . 1 1 602 602 ASP C C 602 174.087 174.087 175.339 -1.252 18462 748 1 . 1 1 602 602 ASP CA C 602 53.845 53.845 54.066 -0.221 18462 749 1 . 1 1 602 602 ASP CB C 602 40.481 40.481 42.391 -1.910 18462 750 1 . 1 1 602 602 ASP H H 602 8.257 8.257 7.591 0.666 18462 751 1 . 1 1 603 603 ARG N N 603 121.398 121.398 123.019 -1.621 18462 752 1 . 1 1 603 603 ARG HA H 603 4.454 4.454 4.410 0.044 18462 753 1 . 1 1 603 603 ARG C C 603 176.111 176.111 176.016 0.095 18462 754 1 . 1 1 603 603 ARG CA C 603 55.241 55.241 56.422 -1.181 18462 755 1 . 1 1 603 603 ARG CB C 603 30.164 30.164 30.876 -0.712 18462 756 1 . 1 1 603 603 ARG H H 603 8.234 8.234 8.504 -0.270 18462 stop_ save_