data_19052 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19052 _Entry.PDB_ID 2M5F 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 19052 _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 1 508 508 GLN N N 508 120.688 120.688 119.763 0.925 19052 2 1 1 . 1 1 508 508 GLN HA H 508 4.590 4.590 4.393 0.197 19052 3 1 1 . 1 1 508 508 GLN CA C 508 53.781 53.781 54.806 -1.025 19052 4 1 1 . 1 1 508 508 GLN CB C 508 29.074 29.074 28.807 0.267 19052 5 1 1 . 1 1 508 508 GLN H H 508 8.558 8.558 8.133 0.425 19052 6 1 1 . 1 1 509 509 PRO HA H 509 4.322 4.322 4.590 -0.268 19052 7 1 1 . 1 1 509 509 PRO C C 509 173.716 173.716 175.549 -1.833 19052 8 1 1 . 1 1 509 509 PRO CA C 509 63.284 63.284 62.783 0.501 19052 9 1 1 . 1 1 509 509 PRO CB C 509 32.273 32.273 32.005 0.268 19052 10 1 1 . 1 1 510 510 LYS N N 510 121.212 121.212 118.196 3.016 19052 11 1 1 . 1 1 510 510 LYS HA H 510 4.205 4.205 4.137 0.068 19052 12 1 1 . 1 1 510 510 LYS C C 510 173.988 173.988 176.065 -2.077 19052 13 1 1 . 1 1 510 510 LYS CA C 510 56.301 56.301 56.522 -0.221 19052 14 1 1 . 1 1 510 510 LYS CB C 510 33.419 33.419 31.218 2.201 19052 15 1 1 . 1 1 510 510 LYS H H 510 8.322 8.322 8.081 0.241 19052 16 1 1 . 1 1 511 511 CYS N N 511 119.342 119.342 114.370 4.972 19052 17 1 1 . 1 1 511 511 CYS HA H 511 4.558 4.558 4.618 -0.060 19052 18 1 1 . 1 1 511 511 CYS C C 511 176.901 176.901 173.978 2.923 19052 19 1 1 . 1 1 511 511 CYS CA C 511 55.516 55.516 56.554 -1.038 19052 20 1 1 . 1 1 511 511 CYS CB C 511 41.836 41.836 27.684 14.152 19052 21 1 1 . 1 1 511 511 CYS H H 511 8.269 8.269 8.135 0.134 19052 22 1 1 . 1 1 512 512 ASN N N 512 122.311 122.311 119.434 2.877 19052 23 1 1 . 1 1 512 512 ASN HA H 512 4.890 4.890 4.903 -0.013 19052 24 1 1 . 1 1 512 512 ASN CA C 512 51.259 51.259 51.919 -0.660 19052 25 1 1 . 1 1 512 512 ASN CB C 512 39.388 39.388 38.188 1.200 19052 26 1 1 . 1 1 512 512 ASN H H 512 8.605 8.605 7.857 0.748 19052 27 1 1 . 1 1 513 513 PRO HA H 513 4.295 4.295 4.388 -0.093 19052 28 1 1 . 1 1 513 513 PRO C C 513 173.951 173.951 176.485 -2.534 19052 29 1 1 . 1 1 513 513 PRO CA C 513 63.657 63.657 64.042 -0.385 19052 30 1 1 . 1 1 513 513 PRO CB C 513 32.188 32.188 32.342 -0.154 19052 31 1 1 . 1 1 514 514 ASN N N 514 117.512 117.512 113.648 3.864 19052 32 1 1 . 1 1 514 514 ASN HA H 514 4.539 4.539 4.740 -0.201 19052 33 1 1 . 1 1 514 514 ASN C C 514 175.348 175.348 174.222 1.126 19052 34 1 1 . 1 1 514 514 ASN CA C 514 53.557 53.557 53.211 0.346 19052 35 1 1 . 1 1 514 514 ASN CB C 514 39.195 39.195 42.188 -2.993 19052 36 1 1 . 1 1 514 514 ASN H H 514 8.288 8.288 8.032 0.256 19052 37 1 1 . 1 1 515 515 LEU N N 515 121.066 121.066 116.625 4.441 19052 38 1 1 . 1 1 515 515 LEU HA H 515 4.157 4.157 3.871 0.286 19052 39 1 1 . 1 1 515 515 LEU C C 515 173.686 173.686 175.516 -1.830 19052 40 1 1 . 1 1 515 515 LEU CA C 515 55.344 55.344 55.670 -0.326 19052 41 1 1 . 1 1 515 515 LEU CB C 515 42.525 42.525 39.837 2.688 19052 42 1 1 . 1 1 515 515 LEU H H 515 7.773 7.773 8.304 -0.531 19052 43 1 1 . 1 1 516 516 HIS N N 516 117.512 117.512 115.919 1.593 19052 44 1 1 . 1 1 516 516 HIS HA H 516 4.438 4.438 4.611 -0.173 19052 45 1 1 . 1 1 516 516 HIS C C 516 175.736 175.736 175.939 -0.203 19052 46 1 1 . 1 1 516 516 HIS CA C 516 55.806 55.806 57.411 -1.605 19052 47 1 1 . 1 1 516 516 HIS CB C 516 28.903 28.903 30.654 -1.751 19052 48 1 1 . 1 1 516 516 HIS H H 516 8.109 8.109 8.570 -0.461 19052 49 1 1 . 1 1 517 517 TYR N N 517 120.068 120.068 116.749 3.319 19052 50 1 1 . 1 1 517 517 TYR HA H 517 4.206 4.206 4.459 -0.253 19052 51 1 1 . 1 1 517 517 TYR C C 517 174.847 174.847 175.251 -0.404 19052 52 1 1 . 1 1 517 517 TYR CA C 517 59.252 59.252 57.137 2.115 19052 53 1 1 . 1 1 517 517 TYR CB C 517 39.066 39.066 37.676 1.390 19052 54 1 1 . 1 1 517 517 TYR H H 517 8.070 8.070 7.626 0.444 19052 55 1 1 . 1 1 518 518 TRP N N 518 118.503 118.503 122.304 -3.801 19052 56 1 1 . 1 1 518 518 TRP HA H 518 4.549 4.549 4.732 -0.183 19052 57 1 1 . 1 1 518 518 TRP C C 518 174.443 174.443 176.478 -2.035 19052 58 1 1 . 1 1 518 518 TRP CA C 518 57.822 57.822 55.627 2.195 19052 59 1 1 . 1 1 518 518 TRP CB C 518 29.912 29.912 31.142 -1.230 19052 60 1 1 . 1 1 518 518 TRP H H 518 7.641 7.641 7.175 0.466 19052 61 1 1 . 1 1 519 519 THR N N 519 112.242 112.242 120.129 -7.887 19052 62 1 1 . 1 1 519 519 THR HA H 519 4.340 4.340 3.784 0.556 19052 63 1 1 . 1 1 519 519 THR C C 519 175.579 175.579 174.451 1.128 19052 64 1 1 . 1 1 519 519 THR CA C 519 61.791 61.791 65.074 -3.283 19052 65 1 1 . 1 1 519 519 THR CB C 519 70.049 70.049 68.621 1.428 19052 66 1 1 . 1 1 519 519 THR H H 519 7.887 7.887 8.432 -0.545 19052 67 1 1 . 1 1 520 520 THR N N 520 114.383 114.383 108.620 5.763 19052 68 1 1 . 1 1 520 520 THR HA H 520 4.245 4.245 4.279 -0.034 19052 69 1 1 . 1 1 520 520 THR C C 520 175.402 175.402 172.468 2.934 19052 70 1 1 . 1 1 520 520 THR CA C 520 62.140 62.140 62.157 -0.017 19052 71 1 1 . 1 1 520 520 THR CB C 520 69.994 69.994 69.159 0.835 19052 72 1 1 . 1 1 520 520 THR H H 520 7.936 7.936 8.039 -0.103 19052 73 1 1 . 1 1 521 521 GLN N N 521 121.482 121.482 121.906 -0.424 19052 74 1 1 . 1 1 521 521 GLN HA H 521 4.167 4.167 4.158 0.009 19052 75 1 1 . 1 1 521 521 GLN C C 521 174.280 174.280 175.211 -0.931 19052 76 1 1 . 1 1 521 521 GLN CA C 521 56.569 56.569 56.620 -0.051 19052 77 1 1 . 1 1 521 521 GLN CB C 521 29.357 29.357 29.238 0.119 19052 78 1 1 . 1 1 521 521 GLN H H 521 8.238 8.238 7.982 0.256 19052 79 1 1 . 1 1 522 522 ASP N N 522 120.331 120.331 121.779 -1.448 19052 80 1 1 . 1 1 522 522 ASP HA H 522 4.436 4.436 4.338 0.098 19052 81 1 1 . 1 1 522 522 ASP C C 522 173.622 173.622 176.701 -3.079 19052 82 1 1 . 1 1 522 522 ASP CA C 522 55.067 55.067 55.652 -0.585 19052 83 1 1 . 1 1 522 522 ASP CB C 522 41.079 41.079 39.776 1.303 19052 84 1 1 . 1 1 522 522 ASP H H 522 8.151 8.151 8.674 -0.523 19052 85 1 1 . 1 1 523 523 GLU N N 523 120.580 120.580 123.609 -3.029 19052 86 1 1 . 1 1 523 523 GLU HA H 523 4.086 4.086 4.067 0.019 19052 87 1 1 . 1 1 523 523 GLU C C 523 173.037 173.037 176.379 -3.342 19052 88 1 1 . 1 1 523 523 GLU CA C 523 57.580 57.580 54.791 2.789 19052 89 1 1 . 1 1 523 523 GLU CB C 523 29.542 29.542 27.256 2.286 19052 90 1 1 . 1 1 523 523 GLU H H 523 8.261 8.261 8.158 0.103 19052 91 1 1 . 1 1 524 524 GLY N N 524 108.383 108.383 108.667 -0.284 19052 92 1 1 . 1 1 524 524 GLY C C 524 175.981 175.981 174.083 1.898 19052 93 1 1 . 1 1 524 524 GLY CA C 524 45.936 45.936 45.218 0.718 19052 94 1 1 . 1 1 524 524 GLY H H 524 8.287 8.287 7.802 0.485 19052 95 1 1 . 1 1 525 525 ALA N N 525 122.951 122.951 123.733 -0.782 19052 96 1 1 . 1 1 525 525 ALA HA H 525 4.150 4.150 4.194 -0.044 19052 97 1 1 . 1 1 525 525 ALA C C 525 172.507 172.507 177.300 -4.793 19052 98 1 1 . 1 1 525 525 ALA CA C 525 53.068 53.068 51.393 1.675 19052 99 1 1 . 1 1 525 525 ALA CB C 525 19.406 19.406 16.488 2.918 19052 100 1 1 . 1 1 525 525 ALA H H 525 7.846 7.846 7.999 -0.153 19052 101 1 1 . 1 1 526 526 ALA N N 526 122.022 122.022 121.700 0.322 19052 102 1 1 . 1 1 526 526 ALA HA H 526 4.181 4.181 3.886 0.295 19052 103 1 1 . 1 1 526 526 ALA C C 526 172.070 172.070 176.320 -4.250 19052 104 1 1 . 1 1 526 526 ALA CA C 526 53.158 53.158 52.921 0.237 19052 105 1 1 . 1 1 526 526 ALA CB C 526 19.271 19.271 17.812 1.458 19052 106 1 1 . 1 1 526 526 ALA H H 526 8.014 8.014 8.404 -0.390 19052 107 1 1 . 1 1 527 527 ILE N N 527 118.520 118.520 119.377 -0.857 19052 108 1 1 . 1 1 527 527 ILE HA H 527 3.887 3.887 4.084 -0.197 19052 109 1 1 . 1 1 527 527 ILE C C 527 173.664 173.664 176.638 -2.974 19052 110 1 1 . 1 1 527 527 ILE CA C 527 62.221 62.221 61.849 0.372 19052 111 1 1 . 1 1 527 527 ILE CB C 527 38.735 38.735 37.922 0.813 19052 112 1 1 . 1 1 527 527 ILE H H 527 7.907 7.907 8.054 -0.147 19052 113 1 1 . 1 1 528 528 GLY N N 528 109.901 109.901 109.267 0.634 19052 114 1 1 . 1 1 528 528 GLY C C 528 175.853 175.853 174.564 1.289 19052 115 1 1 . 1 1 528 528 GLY CA C 528 46.143 46.143 46.090 0.053 19052 116 1 1 . 1 1 528 528 GLY H H 528 8.251 8.251 8.223 0.028 19052 117 1 1 . 1 1 529 529 ALA N N 529 122.244 122.244 121.074 1.170 19052 118 1 1 . 1 1 529 529 ALA HA H 529 3.997 3.997 3.877 0.120 19052 119 1 1 . 1 1 529 529 ALA C C 529 171.603 171.603 176.452 -4.849 19052 120 1 1 . 1 1 529 529 ALA CA C 529 54.036 54.036 53.014 1.022 19052 121 1 1 . 1 1 529 529 ALA CB C 529 19.173 19.173 17.596 1.577 19052 122 1 1 . 1 1 529 529 ALA H H 529 7.968 7.968 7.427 0.541 19052 123 1 1 . 1 1 530 530 ALA N N 530 119.150 119.150 118.123 1.027 19052 124 1 1 . 1 1 530 530 ALA HA H 530 4.055 4.055 3.710 0.345 19052 125 1 1 . 1 1 530 530 ALA C C 530 172.413 172.413 175.921 -3.508 19052 126 1 1 . 1 1 530 530 ALA CA C 530 53.591 53.591 51.389 2.202 19052 127 1 1 . 1 1 530 530 ALA CB C 530 19.102 19.102 18.669 0.433 19052 128 1 1 . 1 1 530 530 ALA H H 530 8.161 8.161 7.514 0.647 19052 129 1 1 . 1 1 531 531 TRP N N 531 115.703 115.703 115.590 0.113 19052 130 1 1 . 1 1 531 531 TRP HA H 531 4.525 4.525 4.241 0.284 19052 131 1 1 . 1 1 531 531 TRP C C 531 173.708 173.708 174.911 -1.203 19052 132 1 1 . 1 1 531 531 TRP CA C 531 57.449 57.449 56.934 0.515 19052 133 1 1 . 1 1 531 531 TRP CB C 531 30.079 30.079 26.278 3.801 19052 134 1 1 . 1 1 531 531 TRP H H 531 7.758 7.758 7.978 -0.220 19052 135 1 1 . 1 1 532 532 ILE N N 532 120.648 120.648 118.158 2.490 19052 136 1 1 . 1 1 532 532 ILE HA H 532 3.814 3.814 4.424 -0.610 19052 137 1 1 . 1 1 532 532 ILE CA C 532 63.978 63.978 58.489 5.489 19052 138 1 1 . 1 1 532 532 ILE CB C 532 37.291 37.291 38.250 -0.959 19052 139 1 1 . 1 1 532 532 ILE H H 532 7.515 7.515 7.883 -0.368 19052 140 1 1 . 1 1 533 533 PRO HA H 533 4.199 4.199 4.178 0.021 19052 141 1 1 . 1 1 533 533 PRO C C 533 173.380 173.380 177.048 -3.668 19052 142 1 1 . 1 1 533 533 PRO CA C 533 64.877 64.877 65.122 -0.245 19052 143 1 1 . 1 1 533 533 PRO CB C 533 31.795 31.795 31.069 0.726 19052 144 1 1 . 1 1 534 534 TYR N N 534 114.701 114.701 117.746 -3.045 19052 145 1 1 . 1 1 534 534 TYR HA H 534 4.127 4.127 4.340 -0.213 19052 146 1 1 . 1 1 534 534 TYR C C 534 174.356 174.356 177.005 -2.649 19052 147 1 1 . 1 1 534 534 TYR CA C 534 60.153 60.153 60.215 -0.062 19052 148 1 1 . 1 1 534 534 TYR CB C 534 38.665 38.665 38.383 0.282 19052 149 1 1 . 1 1 534 534 TYR H H 534 7.558 7.558 8.153 -0.595 19052 150 1 1 . 1 1 535 535 PHE N N 535 116.978 116.978 112.572 4.406 19052 151 1 1 . 1 1 535 535 PHE HA H 535 4.381 4.381 4.976 -0.595 19052 152 1 1 . 1 1 535 535 PHE C C 535 174.160 174.160 176.068 -1.908 19052 153 1 1 . 1 1 535 535 PHE CA C 535 59.095 59.095 55.565 3.530 19052 154 1 1 . 1 1 535 535 PHE CB C 535 40.607 40.607 38.868 1.739 19052 155 1 1 . 1 1 535 535 PHE H H 535 8.003 8.003 7.129 0.874 19052 156 1 1 . 1 1 536 536 GLY N N 536 107.091 107.091 111.843 -4.752 19052 157 1 1 . 1 1 536 536 GLY CA C 536 47.335 47.335 46.279 1.056 19052 158 1 1 . 1 1 536 536 GLY H H 536 8.130 8.130 8.675 -0.545 19052 159 1 1 . 1 1 537 537 PRO HA H 537 4.244 4.244 4.400 -0.156 19052 160 1 1 . 1 1 537 537 PRO C C 537 171.319 171.319 175.288 -3.969 19052 161 1 1 . 1 1 537 537 PRO CA C 537 65.023 65.023 63.270 1.753 19052 162 1 1 . 1 1 537 537 PRO CB C 537 31.842 31.842 31.067 0.775 19052 163 1 1 . 1 1 538 538 ALA N N 538 120.335 120.335 119.138 1.197 19052 164 1 1 . 1 1 538 538 ALA HA H 538 4.104 4.104 4.585 -0.481 19052 165 1 1 . 1 1 538 538 ALA C C 538 171.431 171.431 176.099 -4.668 19052 166 1 1 . 1 1 538 538 ALA CA C 538 54.534 54.534 52.155 2.379 19052 167 1 1 . 1 1 538 538 ALA CB C 538 18.866 18.866 20.856 -1.990 19052 168 1 1 . 1 1 538 538 ALA H H 538 7.913 7.913 8.025 -0.112 19052 169 1 1 . 1 1 539 539 ALA N N 539 120.016 120.016 119.464 0.552 19052 170 1 1 . 1 1 539 539 ALA HA H 539 3.916 3.916 4.795 -0.879 19052 171 1 1 . 1 1 539 539 ALA C C 539 171.593 171.593 176.996 -5.403 19052 172 1 1 . 1 1 539 539 ALA CA C 539 54.669 54.669 52.799 1.870 19052 173 1 1 . 1 1 539 539 ALA CB C 539 18.929 18.929 20.372 -1.443 19052 174 1 1 . 1 1 539 539 ALA H H 539 8.105 8.105 7.504 0.601 19052 175 1 1 . 1 1 540 540 GLU N N 540 116.288 116.288 121.048 -4.760 19052 176 1 1 . 1 1 540 540 GLU HA H 540 3.922 3.922 4.376 -0.454 19052 177 1 1 . 1 1 540 540 GLU C C 540 171.649 171.649 177.163 -5.514 19052 178 1 1 . 1 1 540 540 GLU CA C 540 59.055 59.055 55.958 3.097 19052 179 1 1 . 1 1 540 540 GLU CB C 540 29.335 29.335 27.400 1.935 19052 180 1 1 . 1 1 540 540 GLU H H 540 8.081 8.081 8.465 -0.384 19052 181 1 1 . 1 1 541 541 GLY N N 541 107.262 107.262 108.833 -1.571 19052 182 1 1 . 1 1 541 541 GLY C C 541 174.868 174.868 175.124 -0.256 19052 183 1 1 . 1 1 541 541 GLY CA C 541 46.506 46.506 45.744 0.762 19052 184 1 1 . 1 1 541 541 GLY H H 541 8.063 8.063 9.126 -1.063 19052 185 1 1 . 1 1 542 542 ILE N N 542 120.614 120.614 121.400 -0.786 19052 186 1 1 . 1 1 542 542 ILE HA H 542 3.760 3.760 3.588 0.172 19052 187 1 1 . 1 1 542 542 ILE C C 542 173.000 173.000 176.588 -3.588 19052 188 1 1 . 1 1 542 542 ILE CA C 542 64.103 64.103 63.721 0.382 19052 189 1 1 . 1 1 542 542 ILE CB C 542 38.394 38.394 38.063 0.331 19052 190 1 1 . 1 1 542 542 ILE H H 542 7.843 7.843 8.079 -0.236 19052 191 1 1 . 1 1 543 543 TYR N N 543 120.210 120.210 117.489 2.721 19052 192 1 1 . 1 1 543 543 TYR HA H 543 4.178 4.178 4.121 0.057 19052 193 1 1 . 1 1 543 543 TYR C C 543 173.268 173.268 176.729 -3.461 19052 194 1 1 . 1 1 543 543 TYR CA C 543 60.547 60.547 59.489 1.058 19052 195 1 1 . 1 1 543 543 TYR CB C 543 38.923 38.923 35.964 2.959 19052 196 1 1 . 1 1 543 543 TYR H H 543 8.027 8.027 8.491 -0.464 19052 197 1 1 . 1 1 544 544 ALA N N 544 121.025 121.025 121.119 -0.094 19052 198 1 1 . 1 1 544 544 ALA HA H 544 3.953 3.953 3.723 0.230 19052 199 1 1 . 1 1 544 544 ALA C C 544 171.072 171.072 179.153 -8.081 19052 200 1 1 . 1 1 544 544 ALA CA C 544 54.440 54.440 53.830 0.610 19052 201 1 1 . 1 1 544 544 ALA CB C 544 19.028 19.028 17.690 1.338 19052 202 1 1 . 1 1 544 544 ALA H H 544 8.079 8.079 7.116 0.963 19052 203 1 1 . 1 1 545 545 GLU N N 545 116.132 116.132 119.259 -3.127 19052 204 1 1 . 1 1 545 545 GLU HA H 545 4.096 4.096 4.016 0.080 19052 205 1 1 . 1 1 545 545 GLU C C 545 172.525 172.525 178.409 -5.884 19052 206 1 1 . 1 1 545 545 GLU CA C 545 57.355 57.355 57.649 -0.294 19052 207 1 1 . 1 1 545 545 GLU CB C 545 29.517 29.517 29.825 -0.308 19052 208 1 1 . 1 1 545 545 GLU H H 545 7.880 7.880 8.227 -0.347 19052 209 1 1 . 1 1 546 546 GLY N N 546 107.283 107.283 108.321 -1.038 19052 210 1 1 . 1 1 546 546 GLY C C 546 175.638 175.638 174.337 1.301 19052 211 1 1 . 1 1 546 546 GLY CA C 546 46.241 46.241 46.541 -0.300 19052 212 1 1 . 1 1 546 546 GLY H H 546 8.028 8.028 8.434 -0.406 19052 213 1 1 . 1 1 547 547 LEU N N 547 119.944 119.944 113.137 6.807 19052 214 1 1 . 1 1 547 547 LEU HA H 547 4.127 4.127 4.881 -0.754 19052 215 1 1 . 1 1 547 547 LEU C C 547 172.747 172.747 176.015 -3.268 19052 216 1 1 . 1 1 547 547 LEU CA C 547 56.418 56.418 55.385 1.033 19052 217 1 1 . 1 1 547 547 LEU CB C 547 42.717 42.717 43.288 -0.571 19052 218 1 1 . 1 1 547 547 LEU H H 547 7.865 7.865 8.173 -0.308 19052 219 1 1 . 1 1 548 548 MET N N 548 115.796 115.796 112.586 3.210 19052 220 1 1 . 1 1 548 548 MET HA H 548 4.231 4.231 4.726 -0.495 19052 221 1 1 . 1 1 548 548 MET C C 548 173.854 173.854 175.741 -1.887 19052 222 1 1 . 1 1 548 548 MET CA C 548 55.914 55.914 56.358 -0.444 19052 223 1 1 . 1 1 548 548 MET CB C 548 32.474 32.474 33.241 -0.767 19052 224 1 1 . 1 1 548 548 MET H H 548 7.958 7.958 8.279 -0.321 19052 225 1 1 . 1 1 549 549 HIS N N 549 116.928 116.928 120.954 -4.026 19052 226 1 1 . 1 1 549 549 HIS HA H 549 4.572 4.572 4.505 0.067 19052 227 1 1 . 1 1 549 549 HIS C C 549 175.817 175.817 176.391 -0.574 19052 228 1 1 . 1 1 549 549 HIS CA C 549 55.746 55.746 59.589 -3.843 19052 229 1 1 . 1 1 549 549 HIS CB C 549 28.918 28.918 28.932 -0.014 19052 230 1 1 . 1 1 549 549 HIS H H 549 8.059 8.059 8.801 -0.742 19052 231 1 1 . 1 1 550 550 ASN N N 550 118.413 118.413 116.081 2.332 19052 232 1 1 . 1 1 550 550 ASN HA H 550 4.554 4.554 4.686 -0.132 19052 233 1 1 . 1 1 550 550 ASN C C 550 174.738 174.738 175.703 -0.965 19052 234 1 1 . 1 1 550 550 ASN CA C 550 53.874 53.874 52.721 1.153 19052 235 1 1 . 1 1 550 550 ASN CB C 550 38.883 38.883 37.811 1.072 19052 236 1 1 . 1 1 550 550 ASN H H 550 8.222 8.222 8.780 -0.558 19052 237 1 1 . 1 1 551 551 GLN N N 551 119.844 119.844 119.883 -0.039 19052 238 1 1 . 1 1 551 551 GLN HA H 551 4.217 4.217 4.163 0.054 19052 239 1 1 . 1 1 551 551 GLN C C 551 173.745 173.745 175.966 -2.221 19052 240 1 1 . 1 1 551 551 GLN CA C 551 56.477 56.477 56.794 -0.317 19052 241 1 1 . 1 1 551 551 GLN CB C 551 29.046 29.046 29.049 -0.003 19052 242 1 1 . 1 1 551 551 GLN H H 551 8.336 8.336 7.987 0.349 19052 243 1 1 . 1 1 552 552 ASP N N 552 119.497 119.497 117.709 1.788 19052 244 1 1 . 1 1 552 552 ASP HA H 552 4.434 4.434 4.657 -0.223 19052 245 1 1 . 1 1 552 552 ASP C C 552 173.446 173.446 176.588 -3.142 19052 246 1 1 . 1 1 552 552 ASP CA C 552 55.146 55.146 54.656 0.490 19052 247 1 1 . 1 1 552 552 ASP CB C 552 41.174 41.174 42.525 -1.351 19052 248 1 1 . 1 1 552 552 ASP H H 552 8.192 8.192 8.482 -0.290 19052 249 1 1 . 1 1 553 553 GLY N N 553 107.920 107.920 107.008 0.912 19052 250 1 1 . 1 1 553 553 GLY C C 553 175.627 175.627 175.032 0.595 19052 251 1 1 . 1 1 553 553 GLY CA C 553 45.791 45.791 44.998 0.793 19052 252 1 1 . 1 1 553 553 GLY H H 553 8.114 8.114 7.846 0.268 19052 253 1 1 . 1 1 554 554 LEU N N 554 121.436 121.436 117.648 3.788 19052 254 1 1 . 1 1 554 554 LEU HA H 554 4.150 4.150 4.131 0.019 19052 255 1 1 . 1 1 554 554 LEU C C 554 172.742 172.742 176.859 -4.117 19052 256 1 1 . 1 1 554 554 LEU CA C 554 56.520 56.520 56.843 -0.323 19052 257 1 1 . 1 1 554 554 LEU CB C 554 42.857 42.857 41.571 1.286 19052 258 1 1 . 1 1 554 554 LEU H H 554 8.055 8.055 7.834 0.221 19052 259 1 1 . 1 1 555 555 ILE N N 555 117.147 117.147 115.042 2.105 19052 260 1 1 . 1 1 555 555 ILE HA H 555 3.947 3.947 3.686 0.261 19052 261 1 1 . 1 1 555 555 ILE C C 555 174.354 174.354 177.123 -2.769 19052 262 1 1 . 1 1 555 555 ILE CA C 555 62.214 62.214 61.913 0.301 19052 263 1 1 . 1 1 555 555 ILE CB C 555 38.447 38.447 37.120 1.327 19052 264 1 1 . 1 1 555 555 ILE H H 555 7.946 7.946 7.665 0.281 19052 265 1 1 . 1 1 556 556 CYS N N 556 119.354 119.354 125.745 -6.391 19052 266 1 1 . 1 1 556 556 CYS HA H 556 4.439 4.439 4.220 0.219 19052 267 1 1 . 1 1 556 556 CYS C C 556 174.864 174.864 175.907 -1.043 19052 268 1 1 . 1 1 556 556 CYS CA C 556 55.915 55.915 60.062 -4.147 19052 269 1 1 . 1 1 556 556 CYS CB C 556 40.902 40.902 27.751 13.151 19052 270 1 1 . 1 1 556 556 CYS H H 556 8.193 8.193 8.927 -0.734 19052 271 1 1 . 1 1 557 557 GLY N N 557 108.370 108.370 107.707 0.663 19052 272 1 1 . 1 1 557 557 GLY C C 557 176.365 176.365 174.226 2.139 19052 273 1 1 . 1 1 557 557 GLY CA C 557 45.923 45.923 46.473 -0.550 19052 274 1 1 . 1 1 557 557 GLY H H 557 8.112 8.112 8.429 -0.317 19052 275 1 1 . 1 1 558 558 LEU N N 558 120.302 120.302 112.686 7.616 19052 276 1 1 . 1 1 558 558 LEU HA H 558 4.209 4.209 4.580 -0.371 19052 277 1 1 . 1 1 558 558 LEU C C 558 173.387 173.387 174.539 -1.152 19052 278 1 1 . 1 1 558 558 LEU CA C 558 55.568 55.568 55.143 0.425 19052 279 1 1 . 1 1 558 558 LEU CB C 558 42.943 42.943 43.150 -0.207 19052 280 1 1 . 1 1 558 558 LEU H H 558 7.816 7.816 7.867 -0.051 19052 281 1 1 . 1 1 559 559 ARG N N 559 119.826 119.826 117.256 2.570 19052 282 1 1 . 1 1 559 559 ARG HA H 559 4.246 4.246 4.492 -0.246 19052 283 1 1 . 1 1 559 559 ARG C C 559 175.047 175.047 174.232 0.815 19052 284 1 1 . 1 1 559 559 ARG CA C 559 55.858 55.858 55.964 -0.106 19052 285 1 1 . 1 1 559 559 ARG CB C 559 30.806 30.806 30.457 0.349 19052 286 1 1 . 1 1 559 559 ARG H H 559 7.996 7.996 7.831 0.165 19052 287 1 2 . 1 1 508 508 GLN N N 508 120.688 120.688 121.297 -0.609 19052 288 1 2 . 1 1 508 508 GLN HA H 508 4.590 4.590 4.757 -0.167 19052 289 1 2 . 1 1 508 508 GLN CA C 508 53.781 53.781 54.395 -0.614 19052 290 1 2 . 1 1 508 508 GLN CB C 508 29.074 29.074 30.225 -1.151 19052 291 1 2 . 1 1 508 508 GLN H H 508 8.558 8.558 8.307 0.251 19052 292 1 2 . 1 1 509 509 PRO HA H 509 4.322 4.322 4.615 -0.293 19052 293 1 2 . 1 1 509 509 PRO C C 509 173.716 173.716 175.602 -1.886 19052 294 1 2 . 1 1 509 509 PRO CA C 509 63.284 63.284 63.052 0.232 19052 295 1 2 . 1 1 509 509 PRO CB C 509 32.273 32.273 31.954 0.319 19052 296 1 2 . 1 1 510 510 LYS N N 510 121.212 121.212 117.688 3.524 19052 297 1 2 . 1 1 510 510 LYS HA H 510 4.205 4.205 4.143 0.062 19052 298 1 2 . 1 1 510 510 LYS C C 510 173.988 173.988 175.832 -1.844 19052 299 1 2 . 1 1 510 510 LYS CA C 510 56.301 56.301 56.540 -0.239 19052 300 1 2 . 1 1 510 510 LYS CB C 510 33.419 33.419 31.023 2.396 19052 301 1 2 . 1 1 510 510 LYS H H 510 8.322 8.322 8.034 0.288 19052 302 1 2 . 1 1 511 511 CYS N N 511 119.342 119.342 119.203 0.139 19052 303 1 2 . 1 1 511 511 CYS HA H 511 4.558 4.558 4.623 -0.065 19052 304 1 2 . 1 1 511 511 CYS C C 511 176.901 176.901 173.120 3.781 19052 305 1 2 . 1 1 511 511 CYS CA C 511 55.516 55.516 57.173 -1.657 19052 306 1 2 . 1 1 511 511 CYS CB C 511 41.836 41.836 26.861 14.975 19052 307 1 2 . 1 1 511 511 CYS H H 511 8.269 8.269 8.428 -0.159 19052 308 1 2 . 1 1 512 512 ASN N N 512 122.311 122.311 119.015 3.296 19052 309 1 2 . 1 1 512 512 ASN HA H 512 4.890 4.890 5.147 -0.257 19052 310 1 2 . 1 1 512 512 ASN CA C 512 51.259 51.259 51.115 0.144 19052 311 1 2 . 1 1 512 512 ASN CB C 512 39.388 39.388 39.079 0.309 19052 312 1 2 . 1 1 512 512 ASN H H 512 8.605 8.605 7.801 0.804 19052 313 1 2 . 1 1 513 513 PRO HA H 513 4.295 4.295 4.306 -0.011 19052 314 1 2 . 1 1 513 513 PRO C C 513 173.951 173.951 176.385 -2.434 19052 315 1 2 . 1 1 513 513 PRO CA C 513 63.657 63.657 63.898 -0.241 19052 316 1 2 . 1 1 513 513 PRO CB C 513 32.188 32.188 32.272 -0.084 19052 317 1 2 . 1 1 514 514 ASN N N 514 117.512 117.512 115.027 2.485 19052 318 1 2 . 1 1 514 514 ASN HA H 514 4.539 4.539 4.738 -0.199 19052 319 1 2 . 1 1 514 514 ASN C C 514 175.348 175.348 174.845 0.503 19052 320 1 2 . 1 1 514 514 ASN CA C 514 53.557 53.557 53.150 0.407 19052 321 1 2 . 1 1 514 514 ASN CB C 514 39.195 39.195 40.639 -1.444 19052 322 1 2 . 1 1 514 514 ASN H H 514 8.288 8.288 7.936 0.352 19052 323 1 2 . 1 1 515 515 LEU N N 515 121.066 121.066 116.044 5.022 19052 324 1 2 . 1 1 515 515 LEU HA H 515 4.157 4.157 3.837 0.320 19052 325 1 2 . 1 1 515 515 LEU C C 515 173.686 173.686 175.211 -1.525 19052 326 1 2 . 1 1 515 515 LEU CA C 515 55.344 55.344 55.753 -0.409 19052 327 1 2 . 1 1 515 515 LEU CB C 515 42.525 42.525 40.125 2.400 19052 328 1 2 . 1 1 515 515 LEU H H 515 7.773 7.773 8.489 -0.716 19052 329 1 2 . 1 1 516 516 HIS N N 516 117.512 117.512 115.223 2.289 19052 330 1 2 . 1 1 516 516 HIS HA H 516 4.438 4.438 4.617 -0.179 19052 331 1 2 . 1 1 516 516 HIS C C 516 175.736 175.736 175.836 -0.100 19052 332 1 2 . 1 1 516 516 HIS CA C 516 55.806 55.806 56.668 -0.862 19052 333 1 2 . 1 1 516 516 HIS CB C 516 28.903 28.903 30.557 -1.654 19052 334 1 2 . 1 1 516 516 HIS H H 516 8.109 8.109 8.478 -0.369 19052 335 1 2 . 1 1 517 517 TYR N N 517 120.068 120.068 116.923 3.145 19052 336 1 2 . 1 1 517 517 TYR HA H 517 4.206 4.206 4.400 -0.194 19052 337 1 2 . 1 1 517 517 TYR C C 517 174.847 174.847 175.686 -0.839 19052 338 1 2 . 1 1 517 517 TYR CA C 517 59.252 59.252 56.871 2.381 19052 339 1 2 . 1 1 517 517 TYR CB C 517 39.066 39.066 37.234 1.832 19052 340 1 2 . 1 1 517 517 TYR H H 517 8.070 8.070 7.590 0.480 19052 341 1 2 . 1 1 518 518 TRP N N 518 118.503 118.503 121.986 -3.483 19052 342 1 2 . 1 1 518 518 TRP HA H 518 4.549 4.549 4.864 -0.315 19052 343 1 2 . 1 1 518 518 TRP C C 518 174.443 174.443 176.240 -1.797 19052 344 1 2 . 1 1 518 518 TRP CA C 518 57.822 57.822 56.192 1.630 19052 345 1 2 . 1 1 518 518 TRP CB C 518 29.912 29.912 32.206 -2.295 19052 346 1 2 . 1 1 518 518 TRP H H 518 7.641 7.641 7.284 0.357 19052 347 1 2 . 1 1 519 519 THR N N 519 112.242 112.242 119.783 -7.541 19052 348 1 2 . 1 1 519 519 THR HA H 519 4.340 4.340 3.722 0.618 19052 349 1 2 . 1 1 519 519 THR C C 519 175.579 175.579 174.436 1.143 19052 350 1 2 . 1 1 519 519 THR CA C 519 61.791 61.791 65.305 -3.514 19052 351 1 2 . 1 1 519 519 THR CB C 519 70.049 70.049 68.671 1.378 19052 352 1 2 . 1 1 519 519 THR H H 519 7.887 7.887 8.430 -0.542 19052 353 1 2 . 1 1 520 520 THR N N 520 114.383 114.383 109.411 4.972 19052 354 1 2 . 1 1 520 520 THR HA H 520 4.245 4.245 4.282 -0.037 19052 355 1 2 . 1 1 520 520 THR C C 520 175.402 175.402 172.595 2.807 19052 356 1 2 . 1 1 520 520 THR CA C 520 62.140 62.140 62.258 -0.118 19052 357 1 2 . 1 1 520 520 THR CB C 520 69.994 69.994 69.098 0.896 19052 358 1 2 . 1 1 520 520 THR H H 520 7.936 7.936 7.480 0.456 19052 359 1 2 . 1 1 521 521 GLN N N 521 121.482 121.482 122.159 -0.677 19052 360 1 2 . 1 1 521 521 GLN HA H 521 4.167 4.167 4.151 0.016 19052 361 1 2 . 1 1 521 521 GLN C C 521 174.280 174.280 175.050 -0.770 19052 362 1 2 . 1 1 521 521 GLN CA C 521 56.569 56.569 56.481 0.088 19052 363 1 2 . 1 1 521 521 GLN CB C 521 29.357 29.357 29.211 0.146 19052 364 1 2 . 1 1 521 521 GLN H H 521 8.238 8.238 7.901 0.337 19052 365 1 2 . 1 1 522 522 ASP N N 522 120.331 120.331 121.814 -1.483 19052 366 1 2 . 1 1 522 522 ASP HA H 522 4.436 4.436 4.368 0.068 19052 367 1 2 . 1 1 522 522 ASP C C 522 173.622 173.622 176.573 -2.951 19052 368 1 2 . 1 1 522 522 ASP CA C 522 55.067 55.067 55.398 -0.331 19052 369 1 2 . 1 1 522 522 ASP CB C 522 41.079 41.079 39.593 1.486 19052 370 1 2 . 1 1 522 522 ASP H H 522 8.151 8.151 8.736 -0.585 19052 371 1 2 . 1 1 523 523 GLU N N 523 120.580 120.580 123.683 -3.103 19052 372 1 2 . 1 1 523 523 GLU HA H 523 4.086 4.086 4.266 -0.180 19052 373 1 2 . 1 1 523 523 GLU C C 523 173.037 173.037 176.416 -3.379 19052 374 1 2 . 1 1 523 523 GLU CA C 523 57.580 57.580 55.147 2.433 19052 375 1 2 . 1 1 523 523 GLU CB C 523 29.542 29.542 27.260 2.282 19052 376 1 2 . 1 1 523 523 GLU H H 523 8.261 8.261 8.146 0.115 19052 377 1 2 . 1 1 524 524 GLY N N 524 108.383 108.383 108.161 0.222 19052 378 1 2 . 1 1 524 524 GLY C C 524 175.981 175.981 174.286 1.695 19052 379 1 2 . 1 1 524 524 GLY CA C 524 45.936 45.936 45.121 0.815 19052 380 1 2 . 1 1 524 524 GLY H H 524 8.287 8.287 7.909 0.378 19052 381 1 2 . 1 1 525 525 ALA N N 525 122.951 122.951 123.776 -0.825 19052 382 1 2 . 1 1 525 525 ALA HA H 525 4.150 4.150 4.299 -0.149 19052 383 1 2 . 1 1 525 525 ALA C C 525 172.507 172.507 177.341 -4.834 19052 384 1 2 . 1 1 525 525 ALA CA C 525 53.068 53.068 51.296 1.772 19052 385 1 2 . 1 1 525 525 ALA CB C 525 19.406 19.406 16.812 2.594 19052 386 1 2 . 1 1 525 525 ALA H H 525 7.846 7.846 8.018 -0.172 19052 387 1 2 . 1 1 526 526 ALA N N 526 122.022 122.022 121.680 0.342 19052 388 1 2 . 1 1 526 526 ALA HA H 526 4.181 4.181 3.882 0.299 19052 389 1 2 . 1 1 526 526 ALA C C 526 172.070 172.070 176.327 -4.257 19052 390 1 2 . 1 1 526 526 ALA CA C 526 53.158 53.158 52.943 0.215 19052 391 1 2 . 1 1 526 526 ALA CB C 526 19.271 19.271 17.804 1.467 19052 392 1 2 . 1 1 526 526 ALA H H 526 8.014 8.014 8.427 -0.413 19052 393 1 2 . 1 1 527 527 ILE N N 527 118.520 118.520 119.382 -0.862 19052 394 1 2 . 1 1 527 527 ILE HA H 527 3.887 3.887 4.097 -0.210 19052 395 1 2 . 1 1 527 527 ILE C C 527 173.664 173.664 176.671 -3.007 19052 396 1 2 . 1 1 527 527 ILE CA C 527 62.221 62.221 61.871 0.350 19052 397 1 2 . 1 1 527 527 ILE CB C 527 38.735 38.735 37.948 0.787 19052 398 1 2 . 1 1 527 527 ILE H H 527 7.907 7.907 8.061 -0.154 19052 399 1 2 . 1 1 528 528 GLY N N 528 109.901 109.901 109.219 0.682 19052 400 1 2 . 1 1 528 528 GLY C C 528 175.853 175.853 174.631 1.222 19052 401 1 2 . 1 1 528 528 GLY CA C 528 46.143 46.143 46.138 0.005 19052 402 1 2 . 1 1 528 528 GLY H H 528 8.251 8.251 8.270 -0.019 19052 403 1 2 . 1 1 529 529 ALA N N 529 122.244 122.244 121.185 1.059 19052 404 1 2 . 1 1 529 529 ALA HA H 529 3.997 3.997 3.901 0.096 19052 405 1 2 . 1 1 529 529 ALA C C 529 171.603 171.603 176.494 -4.891 19052 406 1 2 . 1 1 529 529 ALA CA C 529 54.036 54.036 53.055 0.981 19052 407 1 2 . 1 1 529 529 ALA CB C 529 19.173 19.173 17.663 1.510 19052 408 1 2 . 1 1 529 529 ALA H H 529 7.968 7.968 7.495 0.473 19052 409 1 2 . 1 1 530 530 ALA N N 530 119.150 119.150 118.150 1.000 19052 410 1 2 . 1 1 530 530 ALA HA H 530 4.055 4.055 3.748 0.307 19052 411 1 2 . 1 1 530 530 ALA C C 530 172.413 172.413 175.972 -3.559 19052 412 1 2 . 1 1 530 530 ALA CA C 530 53.591 53.591 51.431 2.160 19052 413 1 2 . 1 1 530 530 ALA CB C 530 19.102 19.102 18.721 0.381 19052 414 1 2 . 1 1 530 530 ALA H H 530 8.161 8.161 7.545 0.616 19052 415 1 2 . 1 1 531 531 TRP N N 531 115.703 115.703 115.672 0.031 19052 416 1 2 . 1 1 531 531 TRP HA H 531 4.525 4.525 4.247 0.278 19052 417 1 2 . 1 1 531 531 TRP C C 531 173.708 173.708 174.935 -1.227 19052 418 1 2 . 1 1 531 531 TRP CA C 531 57.449 57.449 56.948 0.501 19052 419 1 2 . 1 1 531 531 TRP CB C 531 30.079 30.079 26.301 3.778 19052 420 1 2 . 1 1 531 531 TRP H H 531 7.758 7.758 8.005 -0.247 19052 421 1 2 . 1 1 532 532 ILE N N 532 120.648 120.648 118.192 2.456 19052 422 1 2 . 1 1 532 532 ILE HA H 532 3.814 3.814 4.535 -0.721 19052 423 1 2 . 1 1 532 532 ILE CA C 532 63.978 63.978 58.602 5.376 19052 424 1 2 . 1 1 532 532 ILE CB C 532 37.291 37.291 38.475 -1.184 19052 425 1 2 . 1 1 532 532 ILE H H 532 7.515 7.515 7.932 -0.417 19052 426 1 2 . 1 1 533 533 PRO HA H 533 4.199 4.199 4.209 -0.010 19052 427 1 2 . 1 1 533 533 PRO C C 533 173.380 173.380 176.998 -3.618 19052 428 1 2 . 1 1 533 533 PRO CA C 533 64.877 64.877 65.131 -0.254 19052 429 1 2 . 1 1 533 533 PRO CB C 533 31.795 31.795 31.068 0.727 19052 430 1 2 . 1 1 534 534 TYR N N 534 114.701 114.701 117.549 -2.848 19052 431 1 2 . 1 1 534 534 TYR HA H 534 4.127 4.127 4.174 -0.047 19052 432 1 2 . 1 1 534 534 TYR C C 534 174.356 174.356 176.763 -2.407 19052 433 1 2 . 1 1 534 534 TYR CA C 534 60.153 60.153 60.023 0.130 19052 434 1 2 . 1 1 534 534 TYR CB C 534 38.665 38.665 37.891 0.774 19052 435 1 2 . 1 1 534 534 TYR H H 534 7.558 7.558 8.030 -0.472 19052 436 1 2 . 1 1 535 535 PHE N N 535 116.978 116.978 112.632 4.346 19052 437 1 2 . 1 1 535 535 PHE HA H 535 4.381 4.381 4.964 -0.583 19052 438 1 2 . 1 1 535 535 PHE C C 535 174.160 174.160 176.204 -2.044 19052 439 1 2 . 1 1 535 535 PHE CA C 535 59.095 59.095 55.206 3.889 19052 440 1 2 . 1 1 535 535 PHE CB C 535 40.607 40.607 38.520 2.087 19052 441 1 2 . 1 1 535 535 PHE H H 535 8.003 8.003 6.977 1.026 19052 442 1 2 . 1 1 536 536 GLY N N 536 107.091 107.091 112.310 -5.219 19052 443 1 2 . 1 1 536 536 GLY CA C 536 47.335 47.335 46.723 0.612 19052 444 1 2 . 1 1 536 536 GLY H H 536 8.130 8.130 8.851 -0.721 19052 445 1 2 . 1 1 537 537 PRO HA H 537 4.244 4.244 4.725 -0.481 19052 446 1 2 . 1 1 537 537 PRO C C 537 171.319 171.319 176.052 -4.733 19052 447 1 2 . 1 1 537 537 PRO CA C 537 65.023 65.023 63.290 1.733 19052 448 1 2 . 1 1 537 537 PRO CB C 537 31.842 31.842 31.152 0.690 19052 449 1 2 . 1 1 538 538 ALA N N 538 120.335 120.335 118.768 1.567 19052 450 1 2 . 1 1 538 538 ALA HA H 538 4.104 4.104 4.582 -0.478 19052 451 1 2 . 1 1 538 538 ALA C C 538 171.431 171.431 176.325 -4.894 19052 452 1 2 . 1 1 538 538 ALA CA C 538 54.534 54.534 52.117 2.417 19052 453 1 2 . 1 1 538 538 ALA CB C 538 18.866 18.866 20.553 -1.687 19052 454 1 2 . 1 1 538 538 ALA H H 538 7.913 7.913 7.930 -0.017 19052 455 1 2 . 1 1 539 539 ALA N N 539 120.016 120.016 119.296 0.720 19052 456 1 2 . 1 1 539 539 ALA HA H 539 3.916 3.916 4.741 -0.825 19052 457 1 2 . 1 1 539 539 ALA C C 539 171.593 171.593 177.011 -5.418 19052 458 1 2 . 1 1 539 539 ALA CA C 539 54.669 54.669 52.768 1.901 19052 459 1 2 . 1 1 539 539 ALA CB C 539 18.929 18.929 20.354 -1.425 19052 460 1 2 . 1 1 539 539 ALA H H 539 8.105 8.105 7.515 0.590 19052 461 1 2 . 1 1 540 540 GLU N N 540 116.288 116.288 120.814 -4.526 19052 462 1 2 . 1 1 540 540 GLU HA H 540 3.922 3.922 4.299 -0.377 19052 463 1 2 . 1 1 540 540 GLU C C 540 171.649 171.649 176.994 -5.345 19052 464 1 2 . 1 1 540 540 GLU CA C 540 59.055 59.055 56.325 2.729 19052 465 1 2 . 1 1 540 540 GLU CB C 540 29.335 29.335 27.734 1.601 19052 466 1 2 . 1 1 540 540 GLU H H 540 8.081 8.081 8.533 -0.452 19052 467 1 2 . 1 1 541 541 GLY N N 541 107.262 107.262 108.998 -1.736 19052 468 1 2 . 1 1 541 541 GLY C C 541 174.868 174.868 175.180 -0.312 19052 469 1 2 . 1 1 541 541 GLY CA C 541 46.506 46.506 45.807 0.699 19052 470 1 2 . 1 1 541 541 GLY H H 541 8.063 8.063 9.088 -1.025 19052 471 1 2 . 1 1 542 542 ILE N N 542 120.614 120.614 122.055 -1.441 19052 472 1 2 . 1 1 542 542 ILE HA H 542 3.760 3.760 3.547 0.213 19052 473 1 2 . 1 1 542 542 ILE C C 542 173.000 173.000 176.316 -3.316 19052 474 1 2 . 1 1 542 542 ILE CA C 542 64.103 64.103 64.417 -0.314 19052 475 1 2 . 1 1 542 542 ILE CB C 542 38.394 38.394 37.735 0.659 19052 476 1 2 . 1 1 542 542 ILE H H 542 7.843 7.843 8.133 -0.290 19052 477 1 2 . 1 1 543 543 TYR N N 543 120.210 120.210 117.520 2.690 19052 478 1 2 . 1 1 543 543 TYR HA H 543 4.178 4.178 4.104 0.074 19052 479 1 2 . 1 1 543 543 TYR C C 543 173.268 173.268 176.822 -3.554 19052 480 1 2 . 1 1 543 543 TYR CA C 543 60.547 60.547 59.308 1.239 19052 481 1 2 . 1 1 543 543 TYR CB C 543 38.923 38.923 35.932 2.991 19052 482 1 2 . 1 1 543 543 TYR H H 543 8.027 8.027 8.520 -0.493 19052 483 1 2 . 1 1 544 544 ALA N N 544 121.025 121.025 121.042 -0.017 19052 484 1 2 . 1 1 544 544 ALA HA H 544 3.953 3.953 3.602 0.351 19052 485 1 2 . 1 1 544 544 ALA C C 544 171.072 171.072 179.120 -8.048 19052 486 1 2 . 1 1 544 544 ALA CA C 544 54.440 54.440 53.713 0.727 19052 487 1 2 . 1 1 544 544 ALA CB C 544 19.028 19.028 17.631 1.397 19052 488 1 2 . 1 1 544 544 ALA H H 544 8.079 8.079 6.975 1.104 19052 489 1 2 . 1 1 545 545 GLU N N 545 116.132 116.132 118.783 -2.651 19052 490 1 2 . 1 1 545 545 GLU HA H 545 4.096 4.096 4.014 0.082 19052 491 1 2 . 1 1 545 545 GLU C C 545 172.525 172.525 178.128 -5.603 19052 492 1 2 . 1 1 545 545 GLU CA C 545 57.355 57.355 57.258 0.097 19052 493 1 2 . 1 1 545 545 GLU CB C 545 29.517 29.517 29.555 -0.038 19052 494 1 2 . 1 1 545 545 GLU H H 545 7.880 7.880 8.335 -0.455 19052 495 1 2 . 1 1 546 546 GLY N N 546 107.283 107.283 109.968 -2.685 19052 496 1 2 . 1 1 546 546 GLY C C 546 175.638 175.638 174.047 1.591 19052 497 1 2 . 1 1 546 546 GLY CA C 546 46.241 46.241 45.901 0.340 19052 498 1 2 . 1 1 546 546 GLY H H 546 8.028 8.028 8.143 -0.115 19052 499 1 2 . 1 1 547 547 LEU N N 547 119.944 119.944 116.370 3.574 19052 500 1 2 . 1 1 547 547 LEU HA H 547 4.127 4.127 4.634 -0.507 19052 501 1 2 . 1 1 547 547 LEU C C 547 172.747 172.747 176.637 -3.890 19052 502 1 2 . 1 1 547 547 LEU CA C 547 56.418 56.418 55.855 0.563 19052 503 1 2 . 1 1 547 547 LEU CB C 547 42.717 42.717 42.623 0.094 19052 504 1 2 . 1 1 547 547 LEU H H 547 7.865 7.865 8.442 -0.577 19052 505 1 2 . 1 1 548 548 MET N N 548 115.796 115.796 112.019 3.777 19052 506 1 2 . 1 1 548 548 MET HA H 548 4.231 4.231 4.671 -0.440 19052 507 1 2 . 1 1 548 548 MET C C 548 173.854 173.854 176.721 -2.867 19052 508 1 2 . 1 1 548 548 MET CA C 548 55.914 55.914 56.849 -0.935 19052 509 1 2 . 1 1 548 548 MET CB C 548 32.474 32.474 33.279 -0.805 19052 510 1 2 . 1 1 548 548 MET H H 548 7.958 7.958 8.607 -0.649 19052 511 1 2 . 1 1 549 549 HIS N N 549 116.928 116.928 120.249 -3.321 19052 512 1 2 . 1 1 549 549 HIS HA H 549 4.572 4.572 4.587 -0.015 19052 513 1 2 . 1 1 549 549 HIS C C 549 175.817 175.817 176.065 -0.248 19052 514 1 2 . 1 1 549 549 HIS CA C 549 55.746 55.746 58.583 -2.837 19052 515 1 2 . 1 1 549 549 HIS CB C 549 28.918 28.918 29.125 -0.207 19052 516 1 2 . 1 1 549 549 HIS H H 549 8.059 8.059 8.418 -0.359 19052 517 1 2 . 1 1 550 550 ASN N N 550 118.413 118.413 115.152 3.261 19052 518 1 2 . 1 1 550 550 ASN HA H 550 4.554 4.554 4.622 -0.068 19052 519 1 2 . 1 1 550 550 ASN C C 550 174.738 174.738 176.105 -1.367 19052 520 1 2 . 1 1 550 550 ASN CA C 550 53.874 53.874 53.045 0.828 19052 521 1 2 . 1 1 550 550 ASN CB C 550 38.883 38.883 37.801 1.082 19052 522 1 2 . 1 1 550 550 ASN H H 550 8.222 8.222 8.336 -0.114 19052 523 1 2 . 1 1 551 551 GLN N N 551 119.844 119.844 119.035 0.809 19052 524 1 2 . 1 1 551 551 GLN HA H 551 4.217 4.217 4.144 0.073 19052 525 1 2 . 1 1 551 551 GLN C C 551 173.745 173.745 175.438 -1.693 19052 526 1 2 . 1 1 551 551 GLN CA C 551 56.477 56.477 57.071 -0.594 19052 527 1 2 . 1 1 551 551 GLN CB C 551 29.046 29.046 29.330 -0.284 19052 528 1 2 . 1 1 551 551 GLN H H 551 8.336 8.336 7.848 0.488 19052 529 1 2 . 1 1 552 552 ASP N N 552 119.497 119.497 116.695 2.802 19052 530 1 2 . 1 1 552 552 ASP HA H 552 4.434 4.434 4.756 -0.322 19052 531 1 2 . 1 1 552 552 ASP C C 552 173.446 173.446 176.403 -2.957 19052 532 1 2 . 1 1 552 552 ASP CA C 552 55.146 55.146 54.117 1.029 19052 533 1 2 . 1 1 552 552 ASP CB C 552 41.174 41.174 43.163 -1.989 19052 534 1 2 . 1 1 552 552 ASP H H 552 8.192 8.192 8.463 -0.271 19052 535 1 2 . 1 1 553 553 GLY N N 553 107.920 107.920 107.664 0.256 19052 536 1 2 . 1 1 553 553 GLY C C 553 175.627 175.627 174.840 0.787 19052 537 1 2 . 1 1 553 553 GLY CA C 553 45.791 45.791 45.279 0.512 19052 538 1 2 . 1 1 553 553 GLY H H 553 8.114 8.114 8.225 -0.111 19052 539 1 2 . 1 1 554 554 LEU N N 554 121.436 121.436 118.685 2.751 19052 540 1 2 . 1 1 554 554 LEU HA H 554 4.150 4.150 4.054 0.096 19052 541 1 2 . 1 1 554 554 LEU C C 554 172.742 172.742 177.484 -4.742 19052 542 1 2 . 1 1 554 554 LEU CA C 554 56.520 56.520 57.146 -0.626 19052 543 1 2 . 1 1 554 554 LEU CB C 554 42.857 42.857 41.712 1.145 19052 544 1 2 . 1 1 554 554 LEU H H 554 8.055 8.055 7.573 0.482 19052 545 1 2 . 1 1 555 555 ILE N N 555 117.147 117.147 114.917 2.230 19052 546 1 2 . 1 1 555 555 ILE HA H 555 3.947 3.947 3.908 0.039 19052 547 1 2 . 1 1 555 555 ILE C C 555 174.354 174.354 176.439 -2.085 19052 548 1 2 . 1 1 555 555 ILE CA C 555 62.214 62.214 61.198 1.016 19052 549 1 2 . 1 1 555 555 ILE CB C 555 38.447 38.447 35.340 3.107 19052 550 1 2 . 1 1 555 555 ILE H H 555 7.946 7.946 7.981 -0.035 19052 551 1 2 . 1 1 556 556 CYS N N 556 119.354 119.354 124.815 -5.461 19052 552 1 2 . 1 1 556 556 CYS HA H 556 4.439 4.439 4.257 0.182 19052 553 1 2 . 1 1 556 556 CYS C C 556 174.864 174.864 176.394 -1.530 19052 554 1 2 . 1 1 556 556 CYS CA C 556 55.915 55.915 61.067 -5.152 19052 555 1 2 . 1 1 556 556 CYS CB C 556 40.902 40.902 27.555 13.347 19052 556 1 2 . 1 1 556 556 CYS H H 556 8.193 8.193 8.758 -0.566 19052 557 1 2 . 1 1 557 557 GLY N N 557 108.370 108.370 108.518 -0.148 19052 558 1 2 . 1 1 557 557 GLY C C 557 176.365 176.365 174.515 1.850 19052 559 1 2 . 1 1 557 557 GLY CA C 557 45.923 45.923 46.080 -0.157 19052 560 1 2 . 1 1 557 557 GLY H H 557 8.112 8.112 8.305 -0.193 19052 561 1 2 . 1 1 558 558 LEU N N 558 120.302 120.302 113.031 7.271 19052 562 1 2 . 1 1 558 558 LEU HA H 558 4.209 4.209 4.665 -0.456 19052 563 1 2 . 1 1 558 558 LEU C C 558 173.387 173.387 174.809 -1.422 19052 564 1 2 . 1 1 558 558 LEU CA C 558 55.568 55.568 55.040 0.528 19052 565 1 2 . 1 1 558 558 LEU CB C 558 42.943 42.943 43.583 -0.640 19052 566 1 2 . 1 1 558 558 LEU H H 558 7.816 7.816 7.490 0.326 19052 567 1 2 . 1 1 559 559 ARG N N 559 119.826 119.826 118.201 1.625 19052 568 1 2 . 1 1 559 559 ARG HA H 559 4.246 4.246 4.321 -0.075 19052 569 1 2 . 1 1 559 559 ARG C C 559 175.047 175.047 174.369 0.678 19052 570 1 2 . 1 1 559 559 ARG CA C 559 55.858 55.858 56.066 -0.208 19052 571 1 2 . 1 1 559 559 ARG CB C 559 30.806 30.806 29.430 1.376 19052 572 1 2 . 1 1 559 559 ARG H H 559 7.996 7.996 8.075 -0.079 19052 573 1 3 . 1 1 508 508 GLN N N 508 120.688 120.688 119.649 1.039 19052 574 1 3 . 1 1 508 508 GLN HA H 508 4.590 4.590 4.539 0.051 19052 575 1 3 . 1 1 508 508 GLN CA C 508 53.781 53.781 54.283 -0.502 19052 576 1 3 . 1 1 508 508 GLN CB C 508 29.074 29.074 28.993 0.081 19052 577 1 3 . 1 1 508 508 GLN H H 508 8.558 8.558 8.060 0.498 19052 578 1 3 . 1 1 509 509 PRO HA H 509 4.322 4.322 4.533 -0.211 19052 579 1 3 . 1 1 509 509 PRO C C 509 173.716 173.716 175.658 -1.942 19052 580 1 3 . 1 1 509 509 PRO CA C 509 63.284 63.284 62.892 0.392 19052 581 1 3 . 1 1 509 509 PRO CB C 509 32.273 32.273 31.950 0.323 19052 582 1 3 . 1 1 510 510 LYS N N 510 121.212 121.212 118.611 2.601 19052 583 1 3 . 1 1 510 510 LYS HA H 510 4.205 4.205 4.137 0.068 19052 584 1 3 . 1 1 510 510 LYS C C 510 173.988 173.988 175.952 -1.964 19052 585 1 3 . 1 1 510 510 LYS CA C 510 56.301 56.301 56.400 -0.099 19052 586 1 3 . 1 1 510 510 LYS CB C 510 33.419 33.419 31.412 2.007 19052 587 1 3 . 1 1 510 510 LYS H H 510 8.322 8.322 8.067 0.255 19052 588 1 3 . 1 1 511 511 CYS N N 511 119.342 119.342 115.577 3.765 19052 589 1 3 . 1 1 511 511 CYS HA H 511 4.558 4.558 4.595 -0.037 19052 590 1 3 . 1 1 511 511 CYS C C 511 176.901 176.901 173.654 3.247 19052 591 1 3 . 1 1 511 511 CYS CA C 511 55.516 55.516 56.438 -0.922 19052 592 1 3 . 1 1 511 511 CYS CB C 511 41.836 41.836 27.941 13.895 19052 593 1 3 . 1 1 511 511 CYS H H 511 8.269 8.269 8.130 0.139 19052 594 1 3 . 1 1 512 512 ASN N N 512 122.311 122.311 119.668 2.643 19052 595 1 3 . 1 1 512 512 ASN HA H 512 4.890 4.890 4.883 0.007 19052 596 1 3 . 1 1 512 512 ASN CA C 512 51.259 51.259 51.716 -0.457 19052 597 1 3 . 1 1 512 512 ASN CB C 512 39.388 39.388 37.950 1.438 19052 598 1 3 . 1 1 512 512 ASN H H 512 8.605 8.605 7.962 0.643 19052 599 1 3 . 1 1 513 513 PRO HA H 513 4.295 4.295 4.370 -0.075 19052 600 1 3 . 1 1 513 513 PRO C C 513 173.951 173.951 176.419 -2.468 19052 601 1 3 . 1 1 513 513 PRO CA C 513 63.657 63.657 64.096 -0.439 19052 602 1 3 . 1 1 513 513 PRO CB C 513 32.188 32.188 32.647 -0.459 19052 603 1 3 . 1 1 514 514 ASN N N 514 117.512 117.512 114.205 3.307 19052 604 1 3 . 1 1 514 514 ASN HA H 514 4.539 4.539 4.675 -0.136 19052 605 1 3 . 1 1 514 514 ASN C C 514 175.348 175.348 173.814 1.534 19052 606 1 3 . 1 1 514 514 ASN CA C 514 53.557 53.557 53.281 0.276 19052 607 1 3 . 1 1 514 514 ASN CB C 514 39.195 39.195 40.290 -1.095 19052 608 1 3 . 1 1 514 514 ASN H H 514 8.288 8.288 8.141 0.147 19052 609 1 3 . 1 1 515 515 LEU N N 515 121.066 121.066 116.475 4.591 19052 610 1 3 . 1 1 515 515 LEU HA H 515 4.157 4.157 4.180 -0.023 19052 611 1 3 . 1 1 515 515 LEU C C 515 173.686 173.686 175.563 -1.877 19052 612 1 3 . 1 1 515 515 LEU CA C 515 55.344 55.344 55.441 -0.097 19052 613 1 3 . 1 1 515 515 LEU CB C 515 42.525 42.525 39.685 2.840 19052 614 1 3 . 1 1 515 515 LEU H H 515 7.773 7.773 8.156 -0.383 19052 615 1 3 . 1 1 516 516 HIS N N 516 117.512 117.512 115.941 1.571 19052 616 1 3 . 1 1 516 516 HIS HA H 516 4.438 4.438 4.629 -0.191 19052 617 1 3 . 1 1 516 516 HIS C C 516 175.736 175.736 175.994 -0.258 19052 618 1 3 . 1 1 516 516 HIS CA C 516 55.806 55.806 56.019 -0.213 19052 619 1 3 . 1 1 516 516 HIS CB C 516 28.903 28.903 30.365 -1.462 19052 620 1 3 . 1 1 516 516 HIS H H 516 8.109 8.109 8.198 -0.089 19052 621 1 3 . 1 1 517 517 TYR N N 517 120.068 120.068 117.052 3.016 19052 622 1 3 . 1 1 517 517 TYR HA H 517 4.206 4.206 4.450 -0.244 19052 623 1 3 . 1 1 517 517 TYR C C 517 174.847 174.847 175.478 -0.631 19052 624 1 3 . 1 1 517 517 TYR CA C 517 59.252 59.252 57.051 2.201 19052 625 1 3 . 1 1 517 517 TYR CB C 517 39.066 39.066 37.533 1.533 19052 626 1 3 . 1 1 517 517 TYR H H 517 8.070 8.070 7.314 0.756 19052 627 1 3 . 1 1 518 518 TRP N N 518 118.503 118.503 122.301 -3.798 19052 628 1 3 . 1 1 518 518 TRP HA H 518 4.549 4.549 4.818 -0.269 19052 629 1 3 . 1 1 518 518 TRP C C 518 174.443 174.443 176.766 -2.323 19052 630 1 3 . 1 1 518 518 TRP CA C 518 57.822 57.822 56.282 1.540 19052 631 1 3 . 1 1 518 518 TRP CB C 518 29.912 29.912 31.505 -1.593 19052 632 1 3 . 1 1 518 518 TRP H H 518 7.641 7.641 7.284 0.357 19052 633 1 3 . 1 1 519 519 THR N N 519 112.242 112.242 118.745 -6.503 19052 634 1 3 . 1 1 519 519 THR HA H 519 4.340 4.340 3.762 0.578 19052 635 1 3 . 1 1 519 519 THR C C 519 175.579 175.579 175.016 0.563 19052 636 1 3 . 1 1 519 519 THR CA C 519 61.791 61.791 64.775 -2.984 19052 637 1 3 . 1 1 519 519 THR CB C 519 70.049 70.049 68.744 1.305 19052 638 1 3 . 1 1 519 519 THR H H 519 7.887 7.887 8.250 -0.363 19052 639 1 3 . 1 1 520 520 THR N N 520 114.383 114.383 110.433 3.950 19052 640 1 3 . 1 1 520 520 THR HA H 520 4.245 4.245 4.267 -0.022 19052 641 1 3 . 1 1 520 520 THR C C 520 175.402 175.402 173.117 2.285 19052 642 1 3 . 1 1 520 520 THR CA C 520 62.140 62.140 62.567 -0.427 19052 643 1 3 . 1 1 520 520 THR CB C 520 69.994 69.994 68.980 1.014 19052 644 1 3 . 1 1 520 520 THR H H 520 7.936 7.936 7.694 0.242 19052 645 1 3 . 1 1 521 521 GLN N N 521 121.482 121.482 122.128 -0.646 19052 646 1 3 . 1 1 521 521 GLN HA H 521 4.167 4.167 4.245 -0.078 19052 647 1 3 . 1 1 521 521 GLN C C 521 174.280 174.280 175.106 -0.826 19052 648 1 3 . 1 1 521 521 GLN CA C 521 56.569 56.569 56.432 0.137 19052 649 1 3 . 1 1 521 521 GLN CB C 521 29.357 29.357 29.169 0.188 19052 650 1 3 . 1 1 521 521 GLN H H 521 8.238 8.238 7.970 0.268 19052 651 1 3 . 1 1 522 522 ASP N N 522 120.331 120.331 121.648 -1.317 19052 652 1 3 . 1 1 522 522 ASP HA H 522 4.436 4.436 4.372 0.064 19052 653 1 3 . 1 1 522 522 ASP C C 522 173.622 173.622 176.339 -2.717 19052 654 1 3 . 1 1 522 522 ASP CA C 522 55.067 55.067 55.430 -0.363 19052 655 1 3 . 1 1 522 522 ASP CB C 522 41.079 41.079 40.266 0.813 19052 656 1 3 . 1 1 522 522 ASP H H 522 8.151 8.151 8.653 -0.502 19052 657 1 3 . 1 1 523 523 GLU N N 523 120.580 120.580 123.319 -2.739 19052 658 1 3 . 1 1 523 523 GLU HA H 523 4.086 4.086 4.112 -0.026 19052 659 1 3 . 1 1 523 523 GLU C C 523 173.037 173.037 176.156 -3.119 19052 660 1 3 . 1 1 523 523 GLU CA C 523 57.580 57.580 55.089 2.491 19052 661 1 3 . 1 1 523 523 GLU CB C 523 29.542 29.542 27.384 2.159 19052 662 1 3 . 1 1 523 523 GLU H H 523 8.261 8.261 8.203 0.058 19052 663 1 3 . 1 1 524 524 GLY N N 524 108.383 108.383 107.555 0.828 19052 664 1 3 . 1 1 524 524 GLY C C 524 175.981 175.981 174.383 1.598 19052 665 1 3 . 1 1 524 524 GLY CA C 524 45.936 45.936 44.615 1.321 19052 666 1 3 . 1 1 524 524 GLY H H 524 8.287 8.287 7.628 0.659 19052 667 1 3 . 1 1 525 525 ALA N N 525 122.951 122.951 123.485 -0.534 19052 668 1 3 . 1 1 525 525 ALA HA H 525 4.150 4.150 4.375 -0.225 19052 669 1 3 . 1 1 525 525 ALA C C 525 172.507 172.507 177.072 -4.565 19052 670 1 3 . 1 1 525 525 ALA CA C 525 53.068 53.068 51.503 1.565 19052 671 1 3 . 1 1 525 525 ALA CB C 525 19.406 19.406 16.597 2.809 19052 672 1 3 . 1 1 525 525 ALA H H 525 7.846 7.846 8.082 -0.236 19052 673 1 3 . 1 1 526 526 ALA N N 526 122.022 122.022 121.661 0.361 19052 674 1 3 . 1 1 526 526 ALA HA H 526 4.181 4.181 3.874 0.307 19052 675 1 3 . 1 1 526 526 ALA C C 526 172.070 172.070 176.343 -4.273 19052 676 1 3 . 1 1 526 526 ALA CA C 526 53.158 53.158 52.957 0.201 19052 677 1 3 . 1 1 526 526 ALA CB C 526 19.271 19.271 17.832 1.439 19052 678 1 3 . 1 1 526 526 ALA H H 526 8.014 8.014 8.426 -0.412 19052 679 1 3 . 1 1 527 527 ILE N N 527 118.520 118.520 119.465 -0.945 19052 680 1 3 . 1 1 527 527 ILE HA H 527 3.887 3.887 4.085 -0.198 19052 681 1 3 . 1 1 527 527 ILE C C 527 173.664 173.664 176.659 -2.995 19052 682 1 3 . 1 1 527 527 ILE CA C 527 62.221 62.221 61.856 0.365 19052 683 1 3 . 1 1 527 527 ILE CB C 527 38.735 38.735 37.925 0.810 19052 684 1 3 . 1 1 527 527 ILE H H 527 7.907 7.907 8.048 -0.141 19052 685 1 3 . 1 1 528 528 GLY N N 528 109.901 109.901 109.221 0.680 19052 686 1 3 . 1 1 528 528 GLY C C 528 175.853 175.853 174.597 1.256 19052 687 1 3 . 1 1 528 528 GLY CA C 528 46.143 46.143 46.133 0.010 19052 688 1 3 . 1 1 528 528 GLY H H 528 8.251 8.251 8.246 0.005 19052 689 1 3 . 1 1 529 529 ALA N N 529 122.244 122.244 121.163 1.081 19052 690 1 3 . 1 1 529 529 ALA HA H 529 3.997 3.997 3.894 0.103 19052 691 1 3 . 1 1 529 529 ALA C C 529 171.603 171.603 176.480 -4.877 19052 692 1 3 . 1 1 529 529 ALA CA C 529 54.036 54.036 53.021 1.015 19052 693 1 3 . 1 1 529 529 ALA CB C 529 19.173 19.173 17.598 1.575 19052 694 1 3 . 1 1 529 529 ALA H H 529 7.968 7.968 7.455 0.513 19052 695 1 3 . 1 1 530 530 ALA N N 530 119.150 119.150 118.186 0.964 19052 696 1 3 . 1 1 530 530 ALA HA H 530 4.055 4.055 3.740 0.315 19052 697 1 3 . 1 1 530 530 ALA C C 530 172.413 172.413 175.987 -3.574 19052 698 1 3 . 1 1 530 530 ALA CA C 530 53.591 53.591 51.438 2.153 19052 699 1 3 . 1 1 530 530 ALA CB C 530 19.102 19.102 18.693 0.409 19052 700 1 3 . 1 1 530 530 ALA H H 530 8.161 8.161 7.559 0.602 19052 701 1 3 . 1 1 531 531 TRP N N 531 115.703 115.703 115.646 0.057 19052 702 1 3 . 1 1 531 531 TRP HA H 531 4.525 4.525 4.274 0.251 19052 703 1 3 . 1 1 531 531 TRP C C 531 173.708 173.708 175.002 -1.294 19052 704 1 3 . 1 1 531 531 TRP CA C 531 57.449 57.449 56.973 0.476 19052 705 1 3 . 1 1 531 531 TRP CB C 531 30.079 30.079 26.318 3.761 19052 706 1 3 . 1 1 531 531 TRP H H 531 7.758 7.758 8.010 -0.252 19052 707 1 3 . 1 1 532 532 ILE N N 532 120.648 120.648 118.277 2.371 19052 708 1 3 . 1 1 532 532 ILE HA H 532 3.814 3.814 4.775 -0.961 19052 709 1 3 . 1 1 532 532 ILE CA C 532 63.978 63.978 58.775 5.203 19052 710 1 3 . 1 1 532 532 ILE CB C 532 37.291 37.291 38.482 -1.191 19052 711 1 3 . 1 1 532 532 ILE H H 532 7.515 7.515 7.987 -0.472 19052 712 1 3 . 1 1 533 533 PRO HA H 533 4.199 4.199 4.232 -0.033 19052 713 1 3 . 1 1 533 533 PRO C C 533 173.380 173.380 177.120 -3.740 19052 714 1 3 . 1 1 533 533 PRO CA C 533 64.877 64.877 65.199 -0.322 19052 715 1 3 . 1 1 533 533 PRO CB C 533 31.795 31.795 31.081 0.715 19052 716 1 3 . 1 1 534 534 TYR N N 534 114.701 114.701 117.258 -2.557 19052 717 1 3 . 1 1 534 534 TYR HA H 534 4.127 4.127 4.040 0.087 19052 718 1 3 . 1 1 534 534 TYR C C 534 174.356 174.356 176.417 -2.061 19052 719 1 3 . 1 1 534 534 TYR CA C 534 60.153 60.153 60.116 0.037 19052 720 1 3 . 1 1 534 534 TYR CB C 534 38.665 38.665 37.909 0.756 19052 721 1 3 . 1 1 534 534 TYR H H 534 7.558 7.558 8.135 -0.577 19052 722 1 3 . 1 1 535 535 PHE N N 535 116.978 116.978 114.266 2.712 19052 723 1 3 . 1 1 535 535 PHE HA H 535 4.381 4.381 4.800 -0.419 19052 724 1 3 . 1 1 535 535 PHE C C 535 174.160 174.160 176.718 -2.558 19052 725 1 3 . 1 1 535 535 PHE CA C 535 59.095 59.095 56.803 2.292 19052 726 1 3 . 1 1 535 535 PHE CB C 535 40.607 40.607 39.906 0.701 19052 727 1 3 . 1 1 535 535 PHE H H 535 8.003 8.003 7.689 0.314 19052 728 1 3 . 1 1 536 536 GLY N N 536 107.091 107.091 111.358 -4.267 19052 729 1 3 . 1 1 536 536 GLY CA C 536 47.335 47.335 47.282 0.053 19052 730 1 3 . 1 1 536 536 GLY H H 536 8.130 8.130 8.962 -0.832 19052 731 1 3 . 1 1 537 537 PRO HA H 537 4.244 4.244 4.627 -0.383 19052 732 1 3 . 1 1 537 537 PRO C C 537 171.319 171.319 175.736 -4.417 19052 733 1 3 . 1 1 537 537 PRO CA C 537 65.023 65.023 63.428 1.595 19052 734 1 3 . 1 1 537 537 PRO CB C 537 31.842 31.842 30.808 1.034 19052 735 1 3 . 1 1 538 538 ALA N N 538 120.335 120.335 119.200 1.135 19052 736 1 3 . 1 1 538 538 ALA HA H 538 4.104 4.104 4.660 -0.556 19052 737 1 3 . 1 1 538 538 ALA C C 538 171.431 171.431 176.399 -4.968 19052 738 1 3 . 1 1 538 538 ALA CA C 538 54.534 54.534 52.185 2.349 19052 739 1 3 . 1 1 538 538 ALA CB C 538 18.866 18.866 20.648 -1.782 19052 740 1 3 . 1 1 538 538 ALA H H 538 7.913 7.913 8.023 -0.110 19052 741 1 3 . 1 1 539 539 ALA N N 539 120.016 120.016 119.474 0.542 19052 742 1 3 . 1 1 539 539 ALA HA H 539 3.916 3.916 4.846 -0.930 19052 743 1 3 . 1 1 539 539 ALA C C 539 171.593 171.593 177.098 -5.505 19052 744 1 3 . 1 1 539 539 ALA CA C 539 54.669 54.669 52.815 1.854 19052 745 1 3 . 1 1 539 539 ALA CB C 539 18.929 18.929 20.464 -1.535 19052 746 1 3 . 1 1 539 539 ALA H H 539 8.105 8.105 7.548 0.557 19052 747 1 3 . 1 1 540 540 GLU N N 540 116.288 116.288 120.094 -3.806 19052 748 1 3 . 1 1 540 540 GLU HA H 540 3.922 3.922 4.344 -0.422 19052 749 1 3 . 1 1 540 540 GLU C C 540 171.649 171.649 177.353 -5.704 19052 750 1 3 . 1 1 540 540 GLU CA C 540 59.055 59.055 55.720 3.335 19052 751 1 3 . 1 1 540 540 GLU CB C 540 29.335 29.335 27.729 1.606 19052 752 1 3 . 1 1 540 540 GLU H H 540 8.081 8.081 8.622 -0.541 19052 753 1 3 . 1 1 541 541 GLY N N 541 107.262 107.262 108.934 -1.672 19052 754 1 3 . 1 1 541 541 GLY C C 541 174.868 174.868 174.826 0.042 19052 755 1 3 . 1 1 541 541 GLY CA C 541 46.506 46.506 45.577 0.929 19052 756 1 3 . 1 1 541 541 GLY H H 541 8.063 8.063 9.062 -1.000 19052 757 1 3 . 1 1 542 542 ILE N N 542 120.614 120.614 121.087 -0.473 19052 758 1 3 . 1 1 542 542 ILE HA H 542 3.760 3.760 3.604 0.156 19052 759 1 3 . 1 1 542 542 ILE C C 542 173.000 173.000 176.409 -3.409 19052 760 1 3 . 1 1 542 542 ILE CA C 542 64.103 64.103 63.891 0.212 19052 761 1 3 . 1 1 542 542 ILE CB C 542 38.394 38.394 37.935 0.459 19052 762 1 3 . 1 1 542 542 ILE H H 542 7.843 7.843 7.974 -0.131 19052 763 1 3 . 1 1 543 543 TYR N N 543 120.210 120.210 117.325 2.885 19052 764 1 3 . 1 1 543 543 TYR HA H 543 4.178 4.178 4.138 0.040 19052 765 1 3 . 1 1 543 543 TYR C C 543 173.268 173.268 176.870 -3.602 19052 766 1 3 . 1 1 543 543 TYR CA C 543 60.547 60.547 59.550 0.997 19052 767 1 3 . 1 1 543 543 TYR CB C 543 38.923 38.923 35.962 2.961 19052 768 1 3 . 1 1 543 543 TYR H H 543 8.027 8.027 8.457 -0.430 19052 769 1 3 . 1 1 544 544 ALA N N 544 121.025 121.025 121.179 -0.154 19052 770 1 3 . 1 1 544 544 ALA HA H 544 3.953 3.953 3.821 0.132 19052 771 1 3 . 1 1 544 544 ALA C C 544 171.072 171.072 179.182 -8.110 19052 772 1 3 . 1 1 544 544 ALA CA C 544 54.440 54.440 53.912 0.528 19052 773 1 3 . 1 1 544 544 ALA CB C 544 19.028 19.028 17.683 1.345 19052 774 1 3 . 1 1 544 544 ALA H H 544 8.079 8.079 7.190 0.889 19052 775 1 3 . 1 1 545 545 GLU N N 545 116.132 116.132 118.805 -2.673 19052 776 1 3 . 1 1 545 545 GLU HA H 545 4.096 4.096 4.035 0.061 19052 777 1 3 . 1 1 545 545 GLU C C 545 172.525 172.525 178.198 -5.673 19052 778 1 3 . 1 1 545 545 GLU CA C 545 57.355 57.355 57.290 0.065 19052 779 1 3 . 1 1 545 545 GLU CB C 545 29.517 29.517 29.604 -0.087 19052 780 1 3 . 1 1 545 545 GLU H H 545 7.880 7.880 8.296 -0.416 19052 781 1 3 . 1 1 546 546 GLY N N 546 107.283 107.283 109.929 -2.646 19052 782 1 3 . 1 1 546 546 GLY C C 546 175.638 175.638 174.325 1.313 19052 783 1 3 . 1 1 546 546 GLY CA C 546 46.241 46.241 45.838 0.403 19052 784 1 3 . 1 1 546 546 GLY H H 546 8.028 8.028 8.282 -0.254 19052 785 1 3 . 1 1 547 547 LEU N N 547 119.944 119.944 113.454 6.490 19052 786 1 3 . 1 1 547 547 LEU HA H 547 4.127 4.127 4.657 -0.530 19052 787 1 3 . 1 1 547 547 LEU C C 547 172.747 172.747 176.048 -3.301 19052 788 1 3 . 1 1 547 547 LEU CA C 547 56.418 56.418 55.524 0.894 19052 789 1 3 . 1 1 547 547 LEU CB C 547 42.717 42.717 42.979 -0.262 19052 790 1 3 . 1 1 547 547 LEU H H 547 7.865 7.865 8.040 -0.175 19052 791 1 3 . 1 1 548 548 MET N N 548 115.796 115.796 115.730 0.066 19052 792 1 3 . 1 1 548 548 MET HA H 548 4.231 4.231 4.542 -0.311 19052 793 1 3 . 1 1 548 548 MET C C 548 173.854 173.854 177.098 -3.244 19052 794 1 3 . 1 1 548 548 MET CA C 548 55.914 55.914 56.452 -0.537 19052 795 1 3 . 1 1 548 548 MET CB C 548 32.474 32.474 33.109 -0.635 19052 796 1 3 . 1 1 548 548 MET H H 548 7.958 7.958 8.555 -0.597 19052 797 1 3 . 1 1 549 549 HIS N N 549 116.928 116.928 118.413 -1.485 19052 798 1 3 . 1 1 549 549 HIS HA H 549 4.572 4.572 4.625 -0.053 19052 799 1 3 . 1 1 549 549 HIS C C 549 175.817 175.817 176.123 -0.306 19052 800 1 3 . 1 1 549 549 HIS CA C 549 55.746 55.746 58.698 -2.952 19052 801 1 3 . 1 1 549 549 HIS CB C 549 28.918 28.918 29.433 -0.515 19052 802 1 3 . 1 1 549 549 HIS H H 549 8.059 8.059 8.406 -0.347 19052 803 1 3 . 1 1 550 550 ASN N N 550 118.413 118.413 115.548 2.865 19052 804 1 3 . 1 1 550 550 ASN HA H 550 4.554 4.554 4.676 -0.122 19052 805 1 3 . 1 1 550 550 ASN C C 550 174.738 174.738 176.106 -1.368 19052 806 1 3 . 1 1 550 550 ASN CA C 550 53.874 53.874 53.040 0.834 19052 807 1 3 . 1 1 550 550 ASN CB C 550 38.883 38.883 37.709 1.174 19052 808 1 3 . 1 1 550 550 ASN H H 550 8.222 8.222 8.572 -0.350 19052 809 1 3 . 1 1 551 551 GLN N N 551 119.844 119.844 119.035 0.809 19052 810 1 3 . 1 1 551 551 GLN HA H 551 4.217 4.217 4.168 0.049 19052 811 1 3 . 1 1 551 551 GLN C C 551 173.745 173.745 175.524 -1.779 19052 812 1 3 . 1 1 551 551 GLN CA C 551 56.477 56.477 57.041 -0.564 19052 813 1 3 . 1 1 551 551 GLN CB C 551 29.046 29.046 29.343 -0.297 19052 814 1 3 . 1 1 551 551 GLN H H 551 8.336 8.336 7.828 0.508 19052 815 1 3 . 1 1 552 552 ASP N N 552 119.497 119.497 117.313 2.184 19052 816 1 3 . 1 1 552 552 ASP HA H 552 4.434 4.434 4.727 -0.293 19052 817 1 3 . 1 1 552 552 ASP C C 552 173.446 173.446 176.308 -2.862 19052 818 1 3 . 1 1 552 552 ASP CA C 552 55.146 55.146 54.424 0.722 19052 819 1 3 . 1 1 552 552 ASP CB C 552 41.174 41.174 43.748 -2.574 19052 820 1 3 . 1 1 552 552 ASP H H 552 8.192 8.192 8.475 -0.283 19052 821 1 3 . 1 1 553 553 GLY N N 553 107.920 107.920 107.684 0.236 19052 822 1 3 . 1 1 553 553 GLY C C 553 175.627 175.627 174.821 0.806 19052 823 1 3 . 1 1 553 553 GLY CA C 553 45.791 45.791 45.036 0.755 19052 824 1 3 . 1 1 553 553 GLY H H 553 8.114 8.114 7.784 0.330 19052 825 1 3 . 1 1 554 554 LEU N N 554 121.436 121.436 119.177 2.259 19052 826 1 3 . 1 1 554 554 LEU HA H 554 4.150 4.150 4.051 0.099 19052 827 1 3 . 1 1 554 554 LEU C C 554 172.742 172.742 177.158 -4.416 19052 828 1 3 . 1 1 554 554 LEU CA C 554 56.520 56.520 57.080 -0.560 19052 829 1 3 . 1 1 554 554 LEU CB C 554 42.857 42.857 41.586 1.271 19052 830 1 3 . 1 1 554 554 LEU H H 554 8.055 8.055 7.679 0.376 19052 831 1 3 . 1 1 555 555 ILE N N 555 117.147 117.147 114.234 2.913 19052 832 1 3 . 1 1 555 555 ILE HA H 555 3.947 3.947 3.712 0.235 19052 833 1 3 . 1 1 555 555 ILE C C 555 174.354 174.354 176.635 -2.281 19052 834 1 3 . 1 1 555 555 ILE CA C 555 62.214 62.214 61.394 0.820 19052 835 1 3 . 1 1 555 555 ILE CB C 555 38.447 38.447 35.928 2.519 19052 836 1 3 . 1 1 555 555 ILE H H 555 7.946 7.946 7.954 -0.008 19052 837 1 3 . 1 1 556 556 CYS N N 556 119.354 119.354 123.918 -4.564 19052 838 1 3 . 1 1 556 556 CYS HA H 556 4.439 4.439 4.309 0.130 19052 839 1 3 . 1 1 556 556 CYS C C 556 174.864 174.864 175.789 -0.925 19052 840 1 3 . 1 1 556 556 CYS CA C 556 55.915 55.915 59.794 -3.880 19052 841 1 3 . 1 1 556 556 CYS CB C 556 40.902 40.902 27.550 13.352 19052 842 1 3 . 1 1 556 556 CYS H H 556 8.193 8.193 8.825 -0.632 19052 843 1 3 . 1 1 557 557 GLY N N 557 108.370 108.370 106.361 2.009 19052 844 1 3 . 1 1 557 557 GLY C C 557 176.365 176.365 175.170 1.195 19052 845 1 3 . 1 1 557 557 GLY CA C 557 45.923 45.923 45.389 0.534 19052 846 1 3 . 1 1 557 557 GLY H H 557 8.112 8.112 8.074 0.038 19052 847 1 3 . 1 1 558 558 LEU N N 558 120.302 120.302 113.611 6.691 19052 848 1 3 . 1 1 558 558 LEU HA H 558 4.209 4.209 3.847 0.362 19052 849 1 3 . 1 1 558 558 LEU C C 558 173.387 173.387 175.582 -2.195 19052 850 1 3 . 1 1 558 558 LEU CA C 558 55.568 55.568 56.244 -0.676 19052 851 1 3 . 1 1 558 558 LEU CB C 558 42.943 42.943 40.379 2.564 19052 852 1 3 . 1 1 558 558 LEU H H 558 7.816 7.816 8.168 -0.352 19052 853 1 3 . 1 1 559 559 ARG N N 559 119.826 119.826 115.748 4.078 19052 854 1 3 . 1 1 559 559 ARG HA H 559 4.246 4.246 3.960 0.286 19052 855 1 3 . 1 1 559 559 ARG C C 559 175.047 175.047 175.054 -0.007 19052 856 1 3 . 1 1 559 559 ARG CA C 559 55.858 55.858 57.422 -1.563 19052 857 1 3 . 1 1 559 559 ARG CB C 559 30.806 30.806 29.765 1.040 19052 858 1 3 . 1 1 559 559 ARG H H 559 7.996 7.996 7.651 0.345 19052 859 1 4 . 1 1 508 508 GLN N N 508 120.688 120.688 121.098 -0.410 19052 860 1 4 . 1 1 508 508 GLN HA H 508 4.590 4.590 4.559 0.031 19052 861 1 4 . 1 1 508 508 GLN CA C 508 53.781 53.781 54.353 -0.573 19052 862 1 4 . 1 1 508 508 GLN CB C 508 29.074 29.074 29.369 -0.295 19052 863 1 4 . 1 1 508 508 GLN H H 508 8.558 8.558 8.273 0.285 19052 864 1 4 . 1 1 509 509 PRO HA H 509 4.322 4.322 4.517 -0.195 19052 865 1 4 . 1 1 509 509 PRO C C 509 173.716 173.716 175.814 -2.098 19052 866 1 4 . 1 1 509 509 PRO CA C 509 63.284 63.284 62.777 0.507 19052 867 1 4 . 1 1 509 509 PRO CB C 509 32.273 32.273 31.990 0.283 19052 868 1 4 . 1 1 510 510 LYS N N 510 121.212 121.212 116.497 4.715 19052 869 1 4 . 1 1 510 510 LYS HA H 510 4.205 4.205 4.025 0.180 19052 870 1 4 . 1 1 510 510 LYS C C 510 173.988 173.988 175.054 -1.066 19052 871 1 4 . 1 1 510 510 LYS CA C 510 56.301 56.301 57.116 -0.815 19052 872 1 4 . 1 1 510 510 LYS CB C 510 33.419 33.419 30.786 2.633 19052 873 1 4 . 1 1 510 510 LYS H H 510 8.322 8.322 8.173 0.149 19052 874 1 4 . 1 1 511 511 CYS N N 511 119.342 119.342 112.522 6.820 19052 875 1 4 . 1 1 511 511 CYS HA H 511 4.558 4.558 4.581 -0.023 19052 876 1 4 . 1 1 511 511 CYS C C 511 176.901 176.901 172.833 4.068 19052 877 1 4 . 1 1 511 511 CYS CA C 511 55.516 55.516 57.624 -2.108 19052 878 1 4 . 1 1 511 511 CYS CB C 511 41.836 41.836 27.664 14.172 19052 879 1 4 . 1 1 511 511 CYS H H 511 8.269 8.269 8.186 0.083 19052 880 1 4 . 1 1 512 512 ASN N N 512 122.311 122.311 119.801 2.510 19052 881 1 4 . 1 1 512 512 ASN HA H 512 4.890 4.890 5.221 -0.331 19052 882 1 4 . 1 1 512 512 ASN CA C 512 51.259 51.259 51.047 0.212 19052 883 1 4 . 1 1 512 512 ASN CB C 512 39.388 39.388 39.547 -0.159 19052 884 1 4 . 1 1 512 512 ASN H H 512 8.605 8.605 8.111 0.494 19052 885 1 4 . 1 1 513 513 PRO HA H 513 4.295 4.295 4.640 -0.345 19052 886 1 4 . 1 1 513 513 PRO C C 513 173.951 173.951 176.322 -2.371 19052 887 1 4 . 1 1 513 513 PRO CA C 513 63.657 63.657 61.961 1.696 19052 888 1 4 . 1 1 513 513 PRO CB C 513 32.188 32.188 32.621 -0.433 19052 889 1 4 . 1 1 514 514 ASN N N 514 117.512 117.512 116.961 0.551 19052 890 1 4 . 1 1 514 514 ASN HA H 514 4.539 4.539 4.426 0.113 19052 891 1 4 . 1 1 514 514 ASN C C 514 175.348 175.348 175.537 -0.189 19052 892 1 4 . 1 1 514 514 ASN CA C 514 53.557 53.557 55.723 -2.166 19052 893 1 4 . 1 1 514 514 ASN CB C 514 39.195 39.195 38.674 0.521 19052 894 1 4 . 1 1 514 514 ASN H H 514 8.288 8.288 8.579 -0.291 19052 895 1 4 . 1 1 515 515 LEU N N 515 121.066 121.066 113.089 7.977 19052 896 1 4 . 1 1 515 515 LEU HA H 515 4.157 4.157 4.066 0.091 19052 897 1 4 . 1 1 515 515 LEU C C 515 173.686 173.686 175.779 -2.093 19052 898 1 4 . 1 1 515 515 LEU CA C 515 55.344 55.344 55.781 -0.437 19052 899 1 4 . 1 1 515 515 LEU CB C 515 42.525 42.525 39.716 2.809 19052 900 1 4 . 1 1 515 515 LEU H H 515 7.773 7.773 8.324 -0.551 19052 901 1 4 . 1 1 516 516 HIS N N 516 117.512 117.512 115.201 2.311 19052 902 1 4 . 1 1 516 516 HIS HA H 516 4.438 4.438 4.679 -0.241 19052 903 1 4 . 1 1 516 516 HIS C C 516 175.736 175.736 175.978 -0.242 19052 904 1 4 . 1 1 516 516 HIS CA C 516 55.806 55.806 56.225 -0.419 19052 905 1 4 . 1 1 516 516 HIS CB C 516 28.903 28.903 31.128 -2.225 19052 906 1 4 . 1 1 516 516 HIS H H 516 8.109 8.109 8.487 -0.378 19052 907 1 4 . 1 1 517 517 TYR N N 517 120.068 120.068 117.455 2.613 19052 908 1 4 . 1 1 517 517 TYR HA H 517 4.206 4.206 4.319 -0.113 19052 909 1 4 . 1 1 517 517 TYR C C 517 174.847 174.847 175.514 -0.667 19052 910 1 4 . 1 1 517 517 TYR CA C 517 59.252 59.252 56.684 2.567 19052 911 1 4 . 1 1 517 517 TYR CB C 517 39.066 39.066 37.457 1.609 19052 912 1 4 . 1 1 517 517 TYR H H 517 8.070 8.070 7.673 0.397 19052 913 1 4 . 1 1 518 518 TRP N N 518 118.503 118.503 122.478 -3.975 19052 914 1 4 . 1 1 518 518 TRP HA H 518 4.549 4.549 4.724 -0.175 19052 915 1 4 . 1 1 518 518 TRP C C 518 174.443 174.443 176.390 -1.947 19052 916 1 4 . 1 1 518 518 TRP CA C 518 57.822 57.822 56.052 1.770 19052 917 1 4 . 1 1 518 518 TRP CB C 518 29.912 29.912 31.172 -1.260 19052 918 1 4 . 1 1 518 518 TRP H H 518 7.641 7.641 7.191 0.450 19052 919 1 4 . 1 1 519 519 THR N N 519 112.242 112.242 120.103 -7.861 19052 920 1 4 . 1 1 519 519 THR HA H 519 4.340 4.340 3.733 0.607 19052 921 1 4 . 1 1 519 519 THR C C 519 175.579 175.579 174.522 1.057 19052 922 1 4 . 1 1 519 519 THR CA C 519 61.791 61.791 65.374 -3.583 19052 923 1 4 . 1 1 519 519 THR CB C 519 70.049 70.049 68.635 1.415 19052 924 1 4 . 1 1 519 519 THR H H 519 7.887 7.887 8.347 -0.460 19052 925 1 4 . 1 1 520 520 THR N N 520 114.383 114.383 110.321 4.062 19052 926 1 4 . 1 1 520 520 THR HA H 520 4.245 4.245 4.313 -0.068 19052 927 1 4 . 1 1 520 520 THR C C 520 175.402 175.402 172.710 2.692 19052 928 1 4 . 1 1 520 520 THR CA C 520 62.140 62.140 62.761 -0.621 19052 929 1 4 . 1 1 520 520 THR CB C 520 69.994 69.994 69.018 0.976 19052 930 1 4 . 1 1 520 520 THR H H 520 7.936 7.936 7.650 0.286 19052 931 1 4 . 1 1 521 521 GLN N N 521 121.482 121.482 122.031 -0.549 19052 932 1 4 . 1 1 521 521 GLN HA H 521 4.167 4.167 4.215 -0.048 19052 933 1 4 . 1 1 521 521 GLN C C 521 174.280 174.280 175.409 -1.129 19052 934 1 4 . 1 1 521 521 GLN CA C 521 56.569 56.569 56.473 0.096 19052 935 1 4 . 1 1 521 521 GLN CB C 521 29.357 29.357 29.211 0.146 19052 936 1 4 . 1 1 521 521 GLN H H 521 8.238 8.238 7.999 0.239 19052 937 1 4 . 1 1 522 522 ASP N N 522 120.331 120.331 119.354 0.977 19052 938 1 4 . 1 1 522 522 ASP HA H 522 4.436 4.436 4.351 0.085 19052 939 1 4 . 1 1 522 522 ASP C C 522 173.622 173.622 176.434 -2.812 19052 940 1 4 . 1 1 522 522 ASP CA C 522 55.067 55.067 54.664 0.403 19052 941 1 4 . 1 1 522 522 ASP CB C 522 41.079 41.079 39.600 1.478 19052 942 1 4 . 1 1 522 522 ASP H H 522 8.151 8.151 8.697 -0.546 19052 943 1 4 . 1 1 523 523 GLU N N 523 120.580 120.580 122.654 -2.074 19052 944 1 4 . 1 1 523 523 GLU HA H 523 4.086 4.086 4.117 -0.031 19052 945 1 4 . 1 1 523 523 GLU C C 523 173.037 173.037 176.330 -3.293 19052 946 1 4 . 1 1 523 523 GLU CA C 523 57.580 57.580 54.968 2.612 19052 947 1 4 . 1 1 523 523 GLU CB C 523 29.542 29.542 27.218 2.324 19052 948 1 4 . 1 1 523 523 GLU H H 523 8.261 8.261 8.260 0.001 19052 949 1 4 . 1 1 524 524 GLY N N 524 108.383 108.383 108.778 -0.395 19052 950 1 4 . 1 1 524 524 GLY C C 524 175.981 175.981 174.136 1.845 19052 951 1 4 . 1 1 524 524 GLY CA C 524 45.936 45.936 45.135 0.801 19052 952 1 4 . 1 1 524 524 GLY H H 524 8.287 8.287 8.009 0.278 19052 953 1 4 . 1 1 525 525 ALA N N 525 122.951 122.951 123.612 -0.661 19052 954 1 4 . 1 1 525 525 ALA HA H 525 4.150 4.150 4.350 -0.200 19052 955 1 4 . 1 1 525 525 ALA C C 525 172.507 172.507 177.319 -4.812 19052 956 1 4 . 1 1 525 525 ALA CA C 525 53.068 53.068 51.250 1.818 19052 957 1 4 . 1 1 525 525 ALA CB C 525 19.406 19.406 16.797 2.609 19052 958 1 4 . 1 1 525 525 ALA H H 525 7.846 7.846 7.916 -0.070 19052 959 1 4 . 1 1 526 526 ALA N N 526 122.022 122.022 121.857 0.165 19052 960 1 4 . 1 1 526 526 ALA HA H 526 4.181 4.181 3.876 0.305 19052 961 1 4 . 1 1 526 526 ALA C C 526 172.070 172.070 176.350 -4.280 19052 962 1 4 . 1 1 526 526 ALA CA C 526 53.158 53.158 52.986 0.173 19052 963 1 4 . 1 1 526 526 ALA CB C 526 19.271 19.271 17.883 1.389 19052 964 1 4 . 1 1 526 526 ALA H H 526 8.014 8.014 8.379 -0.365 19052 965 1 4 . 1 1 527 527 ILE N N 527 118.520 118.520 119.502 -0.982 19052 966 1 4 . 1 1 527 527 ILE HA H 527 3.887 3.887 4.058 -0.171 19052 967 1 4 . 1 1 527 527 ILE C C 527 173.664 173.664 176.645 -2.981 19052 968 1 4 . 1 1 527 527 ILE CA C 527 62.221 62.221 61.841 0.380 19052 969 1 4 . 1 1 527 527 ILE CB C 527 38.735 38.735 37.841 0.894 19052 970 1 4 . 1 1 527 527 ILE H H 527 7.907 7.907 8.020 -0.113 19052 971 1 4 . 1 1 528 528 GLY N N 528 109.901 109.901 108.862 1.039 19052 972 1 4 . 1 1 528 528 GLY C C 528 175.853 175.853 174.610 1.243 19052 973 1 4 . 1 1 528 528 GLY CA C 528 46.143 46.143 46.139 0.005 19052 974 1 4 . 1 1 528 528 GLY H H 528 8.251 8.251 8.321 -0.070 19052 975 1 4 . 1 1 529 529 ALA N N 529 122.244 122.244 121.440 0.804 19052 976 1 4 . 1 1 529 529 ALA HA H 529 3.997 3.997 3.874 0.123 19052 977 1 4 . 1 1 529 529 ALA C C 529 171.603 171.603 176.495 -4.892 19052 978 1 4 . 1 1 529 529 ALA CA C 529 54.036 54.036 53.014 1.022 19052 979 1 4 . 1 1 529 529 ALA CB C 529 19.173 19.173 17.689 1.484 19052 980 1 4 . 1 1 529 529 ALA H H 529 7.968 7.968 7.636 0.332 19052 981 1 4 . 1 1 530 530 ALA N N 530 119.150 119.150 118.129 1.021 19052 982 1 4 . 1 1 530 530 ALA HA H 530 4.055 4.055 3.728 0.327 19052 983 1 4 . 1 1 530 530 ALA C C 530 172.413 172.413 175.964 -3.551 19052 984 1 4 . 1 1 530 530 ALA CA C 530 53.591 53.591 51.413 2.178 19052 985 1 4 . 1 1 530 530 ALA CB C 530 19.102 19.102 18.665 0.437 19052 986 1 4 . 1 1 530 530 ALA H H 530 8.161 8.161 7.527 0.634 19052 987 1 4 . 1 1 531 531 TRP N N 531 115.703 115.703 115.651 0.052 19052 988 1 4 . 1 1 531 531 TRP HA H 531 4.525 4.525 4.229 0.296 19052 989 1 4 . 1 1 531 531 TRP C C 531 173.708 173.708 174.898 -1.190 19052 990 1 4 . 1 1 531 531 TRP CA C 531 57.449 57.449 56.936 0.513 19052 991 1 4 . 1 1 531 531 TRP CB C 531 30.079 30.079 26.318 3.761 19052 992 1 4 . 1 1 531 531 TRP H H 531 7.758 7.758 7.990 -0.232 19052 993 1 4 . 1 1 532 532 ILE N N 532 120.648 120.648 118.131 2.517 19052 994 1 4 . 1 1 532 532 ILE HA H 532 3.814 3.814 4.414 -0.600 19052 995 1 4 . 1 1 532 532 ILE CA C 532 63.978 63.978 58.493 5.485 19052 996 1 4 . 1 1 532 532 ILE CB C 532 37.291 37.291 38.353 -1.062 19052 997 1 4 . 1 1 532 532 ILE H H 532 7.515 7.515 7.887 -0.372 19052 998 1 4 . 1 1 533 533 PRO HA H 533 4.199 4.199 4.230 -0.031 19052 999 1 4 . 1 1 533 533 PRO C C 533 173.380 173.380 177.343 -3.963 19052 1000 1 4 . 1 1 533 533 PRO CA C 533 64.877 64.877 64.665 0.212 19052 1001 1 4 . 1 1 533 533 PRO CB C 533 31.795 31.795 30.875 0.920 19052 1002 1 4 . 1 1 534 534 TYR N N 534 114.701 114.701 117.250 -2.549 19052 1003 1 4 . 1 1 534 534 TYR HA H 534 4.127 4.127 4.210 -0.083 19052 1004 1 4 . 1 1 534 534 TYR C C 534 174.356 174.356 177.154 -2.798 19052 1005 1 4 . 1 1 534 534 TYR CA C 534 60.153 60.153 60.451 -0.298 19052 1006 1 4 . 1 1 534 534 TYR CB C 534 38.665 38.665 38.014 0.652 19052 1007 1 4 . 1 1 534 534 TYR H H 534 7.558 7.558 7.888 -0.330 19052 1008 1 4 . 1 1 535 535 PHE N N 535 116.978 116.978 112.393 4.585 19052 1009 1 4 . 1 1 535 535 PHE HA H 535 4.381 4.381 4.961 -0.580 19052 1010 1 4 . 1 1 535 535 PHE C C 535 174.160 174.160 176.100 -1.940 19052 1011 1 4 . 1 1 535 535 PHE CA C 535 59.095 59.095 55.772 3.323 19052 1012 1 4 . 1 1 535 535 PHE CB C 535 40.607 40.607 38.947 1.660 19052 1013 1 4 . 1 1 535 535 PHE H H 535 8.003 8.003 6.881 1.122 19052 1014 1 4 . 1 1 536 536 GLY N N 536 107.091 107.091 111.932 -4.841 19052 1015 1 4 . 1 1 536 536 GLY CA C 536 47.335 47.335 46.420 0.915 19052 1016 1 4 . 1 1 536 536 GLY H H 536 8.130 8.130 8.740 -0.610 19052 1017 1 4 . 1 1 537 537 PRO HA H 537 4.244 4.244 4.732 -0.488 19052 1018 1 4 . 1 1 537 537 PRO C C 537 171.319 171.319 175.646 -4.327 19052 1019 1 4 . 1 1 537 537 PRO CA C 537 65.023 65.023 63.217 1.806 19052 1020 1 4 . 1 1 537 537 PRO CB C 537 31.842 31.842 31.190 0.652 19052 1021 1 4 . 1 1 538 538 ALA N N 538 120.335 120.335 117.552 2.783 19052 1022 1 4 . 1 1 538 538 ALA HA H 538 4.104 4.104 4.566 -0.462 19052 1023 1 4 . 1 1 538 538 ALA C C 538 171.431 171.431 176.207 -4.776 19052 1024 1 4 . 1 1 538 538 ALA CA C 538 54.534 54.534 52.184 2.349 19052 1025 1 4 . 1 1 538 538 ALA CB C 538 18.866 18.866 20.835 -1.970 19052 1026 1 4 . 1 1 538 538 ALA H H 538 7.913 7.913 7.853 0.060 19052 1027 1 4 . 1 1 539 539 ALA N N 539 120.016 120.016 119.354 0.662 19052 1028 1 4 . 1 1 539 539 ALA HA H 539 3.916 3.916 4.761 -0.845 19052 1029 1 4 . 1 1 539 539 ALA C C 539 171.593 171.593 177.016 -5.423 19052 1030 1 4 . 1 1 539 539 ALA CA C 539 54.669 54.669 52.761 1.908 19052 1031 1 4 . 1 1 539 539 ALA CB C 539 18.929 18.929 20.350 -1.421 19052 1032 1 4 . 1 1 539 539 ALA H H 539 8.105 8.105 7.499 0.606 19052 1033 1 4 . 1 1 540 540 GLU N N 540 116.288 116.288 120.845 -4.557 19052 1034 1 4 . 1 1 540 540 GLU HA H 540 3.922 3.922 4.351 -0.429 19052 1035 1 4 . 1 1 540 540 GLU C C 540 171.649 171.649 177.013 -5.364 19052 1036 1 4 . 1 1 540 540 GLU CA C 540 59.055 59.055 56.322 2.733 19052 1037 1 4 . 1 1 540 540 GLU CB C 540 29.335 29.335 27.778 1.557 19052 1038 1 4 . 1 1 540 540 GLU H H 540 8.081 8.081 8.521 -0.440 19052 1039 1 4 . 1 1 541 541 GLY N N 541 107.262 107.262 109.053 -1.791 19052 1040 1 4 . 1 1 541 541 GLY C C 541 174.868 174.868 175.153 -0.285 19052 1041 1 4 . 1 1 541 541 GLY CA C 541 46.506 46.506 45.792 0.714 19052 1042 1 4 . 1 1 541 541 GLY H H 541 8.063 8.063 9.110 -1.047 19052 1043 1 4 . 1 1 542 542 ILE N N 542 120.614 120.614 121.984 -1.370 19052 1044 1 4 . 1 1 542 542 ILE HA H 542 3.760 3.760 3.548 0.212 19052 1045 1 4 . 1 1 542 542 ILE C C 542 173.000 173.000 176.278 -3.278 19052 1046 1 4 . 1 1 542 542 ILE CA C 542 64.103 64.103 64.317 -0.214 19052 1047 1 4 . 1 1 542 542 ILE CB C 542 38.394 38.394 37.727 0.667 19052 1048 1 4 . 1 1 542 542 ILE H H 542 7.843 7.843 8.148 -0.305 19052 1049 1 4 . 1 1 543 543 TYR N N 543 120.210 120.210 117.497 2.713 19052 1050 1 4 . 1 1 543 543 TYR HA H 543 4.178 4.178 4.097 0.081 19052 1051 1 4 . 1 1 543 543 TYR C C 543 173.268 173.268 176.886 -3.618 19052 1052 1 4 . 1 1 543 543 TYR CA C 543 60.547 60.547 59.300 1.247 19052 1053 1 4 . 1 1 543 543 TYR CB C 543 38.923 38.923 35.878 3.045 19052 1054 1 4 . 1 1 543 543 TYR H H 543 8.027 8.027 8.512 -0.485 19052 1055 1 4 . 1 1 544 544 ALA N N 544 121.025 121.025 121.078 -0.053 19052 1056 1 4 . 1 1 544 544 ALA HA H 544 3.953 3.953 3.628 0.325 19052 1057 1 4 . 1 1 544 544 ALA C C 544 171.072 171.072 179.165 -8.093 19052 1058 1 4 . 1 1 544 544 ALA CA C 544 54.440 54.440 53.767 0.673 19052 1059 1 4 . 1 1 544 544 ALA CB C 544 19.028 19.028 17.667 1.361 19052 1060 1 4 . 1 1 544 544 ALA H H 544 8.079 8.079 7.053 1.026 19052 1061 1 4 . 1 1 545 545 GLU N N 545 116.132 116.132 118.779 -2.647 19052 1062 1 4 . 1 1 545 545 GLU HA H 545 4.096 4.096 4.013 0.083 19052 1063 1 4 . 1 1 545 545 GLU C C 545 172.525 172.525 178.165 -5.640 19052 1064 1 4 . 1 1 545 545 GLU CA C 545 57.355 57.355 57.241 0.114 19052 1065 1 4 . 1 1 545 545 GLU CB C 545 29.517 29.517 29.544 -0.027 19052 1066 1 4 . 1 1 545 545 GLU H H 545 7.880 7.880 8.344 -0.464 19052 1067 1 4 . 1 1 546 546 GLY N N 546 107.283 107.283 109.957 -2.674 19052 1068 1 4 . 1 1 546 546 GLY C C 546 175.638 175.638 174.123 1.515 19052 1069 1 4 . 1 1 546 546 GLY CA C 546 46.241 46.241 45.828 0.413 19052 1070 1 4 . 1 1 546 546 GLY H H 546 8.028 8.028 8.176 -0.148 19052 1071 1 4 . 1 1 547 547 LEU N N 547 119.944 119.944 114.422 5.522 19052 1072 1 4 . 1 1 547 547 LEU HA H 547 4.127 4.127 4.612 -0.485 19052 1073 1 4 . 1 1 547 547 LEU C C 547 172.747 172.747 176.207 -3.460 19052 1074 1 4 . 1 1 547 547 LEU CA C 547 56.418 56.418 55.561 0.857 19052 1075 1 4 . 1 1 547 547 LEU CB C 547 42.717 42.717 43.199 -0.482 19052 1076 1 4 . 1 1 547 547 LEU H H 547 7.865 7.865 8.396 -0.531 19052 1077 1 4 . 1 1 548 548 MET N N 548 115.796 115.796 115.387 0.409 19052 1078 1 4 . 1 1 548 548 MET HA H 548 4.231 4.231 4.556 -0.325 19052 1079 1 4 . 1 1 548 548 MET C C 548 173.854 173.854 177.113 -3.259 19052 1080 1 4 . 1 1 548 548 MET CA C 548 55.914 55.914 57.022 -1.108 19052 1081 1 4 . 1 1 548 548 MET CB C 548 32.474 32.474 34.254 -1.780 19052 1082 1 4 . 1 1 548 548 MET H H 548 7.958 7.958 8.870 -0.912 19052 1083 1 4 . 1 1 549 549 HIS N N 549 116.928 116.928 119.616 -2.688 19052 1084 1 4 . 1 1 549 549 HIS HA H 549 4.572 4.572 4.513 0.059 19052 1085 1 4 . 1 1 549 549 HIS C C 549 175.817 175.817 176.011 -0.194 19052 1086 1 4 . 1 1 549 549 HIS CA C 549 55.746 55.746 57.994 -2.248 19052 1087 1 4 . 1 1 549 549 HIS CB C 549 28.918 28.918 29.327 -0.409 19052 1088 1 4 . 1 1 549 549 HIS H H 549 8.059 8.059 8.364 -0.305 19052 1089 1 4 . 1 1 550 550 ASN N N 550 118.413 118.413 115.354 3.059 19052 1090 1 4 . 1 1 550 550 ASN HA H 550 4.554 4.554 4.644 -0.090 19052 1091 1 4 . 1 1 550 550 ASN C C 550 174.738 174.738 175.802 -1.064 19052 1092 1 4 . 1 1 550 550 ASN CA C 550 53.874 53.874 52.861 1.013 19052 1093 1 4 . 1 1 550 550 ASN CB C 550 38.883 38.883 37.834 1.049 19052 1094 1 4 . 1 1 550 550 ASN H H 550 8.222 8.222 8.403 -0.181 19052 1095 1 4 . 1 1 551 551 GLN N N 551 119.844 119.844 119.045 0.799 19052 1096 1 4 . 1 1 551 551 GLN HA H 551 4.217 4.217 4.107 0.110 19052 1097 1 4 . 1 1 551 551 GLN C C 551 173.745 173.745 175.728 -1.983 19052 1098 1 4 . 1 1 551 551 GLN CA C 551 56.477 56.477 56.587 -0.110 19052 1099 1 4 . 1 1 551 551 GLN CB C 551 29.046 29.046 29.067 -0.021 19052 1100 1 4 . 1 1 551 551 GLN H H 551 8.336 8.336 7.712 0.624 19052 1101 1 4 . 1 1 552 552 ASP N N 552 119.497 119.497 117.038 2.459 19052 1102 1 4 . 1 1 552 552 ASP HA H 552 4.434 4.434 4.743 -0.309 19052 1103 1 4 . 1 1 552 552 ASP C C 552 173.446 173.446 176.738 -3.292 19052 1104 1 4 . 1 1 552 552 ASP CA C 552 55.146 55.146 54.333 0.813 19052 1105 1 4 . 1 1 552 552 ASP CB C 552 41.174 41.174 43.140 -1.966 19052 1106 1 4 . 1 1 552 552 ASP H H 552 8.192 8.192 8.477 -0.285 19052 1107 1 4 . 1 1 553 553 GLY N N 553 107.920 107.920 107.669 0.251 19052 1108 1 4 . 1 1 553 553 GLY C C 553 175.627 175.627 174.770 0.857 19052 1109 1 4 . 1 1 553 553 GLY CA C 553 45.791 45.791 44.993 0.798 19052 1110 1 4 . 1 1 553 553 GLY H H 553 8.114 8.114 7.876 0.238 19052 1111 1 4 . 1 1 554 554 LEU N N 554 121.436 121.436 117.803 3.633 19052 1112 1 4 . 1 1 554 554 LEU HA H 554 4.150 4.150 4.085 0.065 19052 1113 1 4 . 1 1 554 554 LEU C C 554 172.742 172.742 177.566 -4.824 19052 1114 1 4 . 1 1 554 554 LEU CA C 554 56.520 56.520 56.607 -0.087 19052 1115 1 4 . 1 1 554 554 LEU CB C 554 42.857 42.857 41.473 1.384 19052 1116 1 4 . 1 1 554 554 LEU H H 554 8.055 8.055 7.724 0.331 19052 1117 1 4 . 1 1 555 555 ILE N N 555 117.147 117.147 115.515 1.632 19052 1118 1 4 . 1 1 555 555 ILE HA H 555 3.947 3.947 3.964 -0.017 19052 1119 1 4 . 1 1 555 555 ILE C C 555 174.354 174.354 176.638 -2.284 19052 1120 1 4 . 1 1 555 555 ILE CA C 555 62.214 62.214 62.078 0.136 19052 1121 1 4 . 1 1 555 555 ILE CB C 555 38.447 38.447 36.020 2.427 19052 1122 1 4 . 1 1 555 555 ILE H H 555 7.946 7.946 7.799 0.147 19052 1123 1 4 . 1 1 556 556 CYS N N 556 119.354 119.354 125.524 -6.170 19052 1124 1 4 . 1 1 556 556 CYS HA H 556 4.439 4.439 4.357 0.082 19052 1125 1 4 . 1 1 556 556 CYS C C 556 174.864 174.864 175.993 -1.129 19052 1126 1 4 . 1 1 556 556 CYS CA C 556 55.915 55.915 60.349 -4.434 19052 1127 1 4 . 1 1 556 556 CYS CB C 556 40.902 40.902 28.058 12.844 19052 1128 1 4 . 1 1 556 556 CYS H H 556 8.193 8.193 9.227 -1.034 19052 1129 1 4 . 1 1 557 557 GLY N N 557 108.370 108.370 107.832 0.538 19052 1130 1 4 . 1 1 557 557 GLY C C 557 176.365 176.365 173.926 2.439 19052 1131 1 4 . 1 1 557 557 GLY CA C 557 45.923 45.923 45.564 0.359 19052 1132 1 4 . 1 1 557 557 GLY H H 557 8.112 8.112 8.407 -0.295 19052 1133 1 4 . 1 1 558 558 LEU N N 558 120.302 120.302 116.011 4.291 19052 1134 1 4 . 1 1 558 558 LEU HA H 558 4.209 4.209 4.514 -0.305 19052 1135 1 4 . 1 1 558 558 LEU C C 558 173.387 173.387 174.909 -1.522 19052 1136 1 4 . 1 1 558 558 LEU CA C 558 55.568 55.568 54.249 1.319 19052 1137 1 4 . 1 1 558 558 LEU CB C 558 42.943 42.943 42.007 0.936 19052 1138 1 4 . 1 1 558 558 LEU H H 558 7.816 7.816 7.577 0.239 19052 1139 1 4 . 1 1 559 559 ARG N N 559 119.826 119.826 117.208 2.618 19052 1140 1 4 . 1 1 559 559 ARG HA H 559 4.246 4.246 3.951 0.295 19052 1141 1 4 . 1 1 559 559 ARG C C 559 175.047 175.047 174.373 0.674 19052 1142 1 4 . 1 1 559 559 ARG CA C 559 55.858 55.858 57.009 -1.151 19052 1143 1 4 . 1 1 559 559 ARG CB C 559 30.806 30.806 28.718 2.088 19052 1144 1 4 . 1 1 559 559 ARG H H 559 7.996 7.996 8.194 -0.198 19052 1145 1 5 . 1 1 508 508 GLN N N 508 120.688 120.688 117.651 3.037 19052 1146 1 5 . 1 1 508 508 GLN HA H 508 4.590 4.590 4.794 -0.204 19052 1147 1 5 . 1 1 508 508 GLN CA C 508 53.781 53.781 53.537 0.244 19052 1148 1 5 . 1 1 508 508 GLN CB C 508 29.074 29.074 29.882 -0.808 19052 1149 1 5 . 1 1 508 508 GLN H H 508 8.558 8.558 8.365 0.193 19052 1150 1 5 . 1 1 509 509 PRO HA H 509 4.322 4.322 4.510 -0.188 19052 1151 1 5 . 1 1 509 509 PRO C C 509 173.716 173.716 175.791 -2.075 19052 1152 1 5 . 1 1 509 509 PRO CA C 509 63.284 63.284 62.861 0.423 19052 1153 1 5 . 1 1 509 509 PRO CB C 509 32.273 32.273 31.610 0.663 19052 1154 1 5 . 1 1 510 510 LYS N N 510 121.212 121.212 117.679 3.533 19052 1155 1 5 . 1 1 510 510 LYS HA H 510 4.205 4.205 4.149 0.056 19052 1156 1 5 . 1 1 510 510 LYS C C 510 173.988 173.988 175.900 -1.912 19052 1157 1 5 . 1 1 510 510 LYS CA C 510 56.301 56.301 56.473 -0.172 19052 1158 1 5 . 1 1 510 510 LYS CB C 510 33.419 33.419 30.713 2.706 19052 1159 1 5 . 1 1 510 510 LYS H H 510 8.322 8.322 8.121 0.201 19052 1160 1 5 . 1 1 511 511 CYS N N 511 119.342 119.342 114.449 4.893 19052 1161 1 5 . 1 1 511 511 CYS HA H 511 4.558 4.558 4.646 -0.088 19052 1162 1 5 . 1 1 511 511 CYS C C 511 176.901 176.901 173.622 3.279 19052 1163 1 5 . 1 1 511 511 CYS CA C 511 55.516 55.516 56.046 -0.530 19052 1164 1 5 . 1 1 511 511 CYS CB C 511 41.836 41.836 27.108 14.728 19052 1165 1 5 . 1 1 511 511 CYS H H 511 8.269 8.269 8.081 0.188 19052 1166 1 5 . 1 1 512 512 ASN N N 512 122.311 122.311 118.742 3.569 19052 1167 1 5 . 1 1 512 512 ASN HA H 512 4.890 4.890 5.042 -0.152 19052 1168 1 5 . 1 1 512 512 ASN CA C 512 51.259 51.259 51.216 0.043 19052 1169 1 5 . 1 1 512 512 ASN CB C 512 39.388 39.388 38.915 0.473 19052 1170 1 5 . 1 1 512 512 ASN H H 512 8.605 8.605 7.801 0.804 19052 1171 1 5 . 1 1 513 513 PRO HA H 513 4.295 4.295 4.377 -0.082 19052 1172 1 5 . 1 1 513 513 PRO C C 513 173.951 173.951 176.370 -2.419 19052 1173 1 5 . 1 1 513 513 PRO CA C 513 63.657 63.657 64.191 -0.534 19052 1174 1 5 . 1 1 513 513 PRO CB C 513 32.188 32.188 32.362 -0.174 19052 1175 1 5 . 1 1 514 514 ASN N N 514 117.512 117.512 113.386 4.126 19052 1176 1 5 . 1 1 514 514 ASN HA H 514 4.539 4.539 4.801 -0.262 19052 1177 1 5 . 1 1 514 514 ASN C C 514 175.348 175.348 174.206 1.142 19052 1178 1 5 . 1 1 514 514 ASN CA C 514 53.557 53.557 53.251 0.306 19052 1179 1 5 . 1 1 514 514 ASN CB C 514 39.195 39.195 41.374 -2.179 19052 1180 1 5 . 1 1 514 514 ASN H H 514 8.288 8.288 8.145 0.143 19052 1181 1 5 . 1 1 515 515 LEU N N 515 121.066 121.066 117.376 3.690 19052 1182 1 5 . 1 1 515 515 LEU HA H 515 4.157 4.157 3.820 0.337 19052 1183 1 5 . 1 1 515 515 LEU C C 515 173.686 173.686 175.434 -1.748 19052 1184 1 5 . 1 1 515 515 LEU CA C 515 55.344 55.344 55.560 -0.216 19052 1185 1 5 . 1 1 515 515 LEU CB C 515 42.525 42.525 39.998 2.527 19052 1186 1 5 . 1 1 515 515 LEU H H 515 7.773 7.773 8.331 -0.558 19052 1187 1 5 . 1 1 516 516 HIS N N 516 117.512 117.512 116.887 0.625 19052 1188 1 5 . 1 1 516 516 HIS HA H 516 4.438 4.438 4.464 -0.026 19052 1189 1 5 . 1 1 516 516 HIS C C 516 175.736 175.736 175.545 0.191 19052 1190 1 5 . 1 1 516 516 HIS CA C 516 55.806 55.806 56.708 -0.902 19052 1191 1 5 . 1 1 516 516 HIS CB C 516 28.903 28.903 30.511 -1.608 19052 1192 1 5 . 1 1 516 516 HIS H H 516 8.109 8.109 8.516 -0.407 19052 1193 1 5 . 1 1 517 517 TYR N N 517 120.068 120.068 114.307 5.761 19052 1194 1 5 . 1 1 517 517 TYR HA H 517 4.206 4.206 4.437 -0.231 19052 1195 1 5 . 1 1 517 517 TYR C C 517 174.847 174.847 175.240 -0.393 19052 1196 1 5 . 1 1 517 517 TYR CA C 517 59.252 59.252 57.111 2.141 19052 1197 1 5 . 1 1 517 517 TYR CB C 517 39.066 39.066 37.240 1.826 19052 1198 1 5 . 1 1 517 517 TYR H H 517 8.070 8.070 7.549 0.521 19052 1199 1 5 . 1 1 518 518 TRP N N 518 118.503 118.503 121.111 -2.608 19052 1200 1 5 . 1 1 518 518 TRP HA H 518 4.549 4.549 4.888 -0.339 19052 1201 1 5 . 1 1 518 518 TRP C C 518 174.443 174.443 176.379 -1.936 19052 1202 1 5 . 1 1 518 518 TRP CA C 518 57.822 57.822 56.542 1.280 19052 1203 1 5 . 1 1 518 518 TRP CB C 518 29.912 29.912 31.297 -1.385 19052 1204 1 5 . 1 1 518 518 TRP H H 518 7.641 7.641 7.149 0.492 19052 1205 1 5 . 1 1 519 519 THR N N 519 112.242 112.242 111.045 1.197 19052 1206 1 5 . 1 1 519 519 THR HA H 519 4.340 4.340 4.497 -0.157 19052 1207 1 5 . 1 1 519 519 THR C C 519 175.579 175.579 175.125 0.454 19052 1208 1 5 . 1 1 519 519 THR CA C 519 61.791 61.791 62.761 -0.970 19052 1209 1 5 . 1 1 519 519 THR CB C 519 70.049 70.049 69.874 0.175 19052 1210 1 5 . 1 1 519 519 THR H H 519 7.887 7.887 8.208 -0.321 19052 1211 1 5 . 1 1 520 520 THR N N 520 114.383 114.383 114.947 -0.564 19052 1212 1 5 . 1 1 520 520 THR HA H 520 4.245 4.245 4.332 -0.087 19052 1213 1 5 . 1 1 520 520 THR C C 520 175.402 175.402 173.243 2.159 19052 1214 1 5 . 1 1 520 520 THR CA C 520 62.140 62.140 63.374 -1.234 19052 1215 1 5 . 1 1 520 520 THR CB C 520 69.994 69.994 69.120 0.874 19052 1216 1 5 . 1 1 520 520 THR H H 520 7.936 7.936 8.173 -0.237 19052 1217 1 5 . 1 1 521 521 GLN N N 521 121.482 121.482 122.051 -0.569 19052 1218 1 5 . 1 1 521 521 GLN HA H 521 4.167 4.167 4.284 -0.117 19052 1219 1 5 . 1 1 521 521 GLN C C 521 174.280 174.280 175.189 -0.909 19052 1220 1 5 . 1 1 521 521 GLN CA C 521 56.569 56.569 56.710 -0.141 19052 1221 1 5 . 1 1 521 521 GLN CB C 521 29.357 29.357 29.839 -0.482 19052 1222 1 5 . 1 1 521 521 GLN H H 521 8.238 8.238 8.156 0.082 19052 1223 1 5 . 1 1 522 522 ASP N N 522 120.331 120.331 122.174 -1.843 19052 1224 1 5 . 1 1 522 522 ASP HA H 522 4.436 4.436 4.323 0.113 19052 1225 1 5 . 1 1 522 522 ASP C C 522 173.622 173.622 176.668 -3.046 19052 1226 1 5 . 1 1 522 522 ASP CA C 522 55.067 55.067 55.150 -0.083 19052 1227 1 5 . 1 1 522 522 ASP CB C 522 41.079 41.079 39.878 1.201 19052 1228 1 5 . 1 1 522 522 ASP H H 522 8.151 8.151 8.690 -0.539 19052 1229 1 5 . 1 1 523 523 GLU N N 523 120.580 120.580 123.672 -3.092 19052 1230 1 5 . 1 1 523 523 GLU HA H 523 4.086 4.086 3.759 0.327 19052 1231 1 5 . 1 1 523 523 GLU C C 523 173.037 173.037 176.324 -3.287 19052 1232 1 5 . 1 1 523 523 GLU CA C 523 57.580 57.580 54.758 2.822 19052 1233 1 5 . 1 1 523 523 GLU CB C 523 29.542 29.542 26.740 2.802 19052 1234 1 5 . 1 1 523 523 GLU H H 523 8.261 8.261 8.120 0.141 19052 1235 1 5 . 1 1 524 524 GLY N N 524 108.383 108.383 107.914 0.469 19052 1236 1 5 . 1 1 524 524 GLY C C 524 175.981 175.981 174.229 1.752 19052 1237 1 5 . 1 1 524 524 GLY CA C 524 45.936 45.936 45.057 0.879 19052 1238 1 5 . 1 1 524 524 GLY H H 524 8.287 8.287 8.233 0.054 19052 1239 1 5 . 1 1 525 525 ALA N N 525 122.951 122.951 123.786 -0.835 19052 1240 1 5 . 1 1 525 525 ALA HA H 525 4.150 4.150 4.128 0.022 19052 1241 1 5 . 1 1 525 525 ALA C C 525 172.507 172.507 177.275 -4.768 19052 1242 1 5 . 1 1 525 525 ALA CA C 525 53.068 53.068 51.288 1.780 19052 1243 1 5 . 1 1 525 525 ALA CB C 525 19.406 19.406 16.541 2.865 19052 1244 1 5 . 1 1 525 525 ALA H H 525 7.846 7.846 8.054 -0.208 19052 1245 1 5 . 1 1 526 526 ALA N N 526 122.022 122.022 121.837 0.185 19052 1246 1 5 . 1 1 526 526 ALA HA H 526 4.181 4.181 3.864 0.317 19052 1247 1 5 . 1 1 526 526 ALA C C 526 172.070 172.070 176.368 -4.298 19052 1248 1 5 . 1 1 526 526 ALA CA C 526 53.158 53.158 53.013 0.145 19052 1249 1 5 . 1 1 526 526 ALA CB C 526 19.271 19.271 17.910 1.361 19052 1250 1 5 . 1 1 526 526 ALA H H 526 8.014 8.014 8.358 -0.344 19052 1251 1 5 . 1 1 527 527 ILE N N 527 118.520 118.520 119.148 -0.628 19052 1252 1 5 . 1 1 527 527 ILE HA H 527 3.887 3.887 3.996 -0.109 19052 1253 1 5 . 1 1 527 527 ILE C C 527 173.664 173.664 176.167 -2.503 19052 1254 1 5 . 1 1 527 527 ILE CA C 527 62.221 62.221 62.124 0.097 19052 1255 1 5 . 1 1 527 527 ILE CB C 527 38.735 38.735 38.220 0.515 19052 1256 1 5 . 1 1 527 527 ILE H H 527 7.907 7.907 7.889 0.018 19052 1257 1 5 . 1 1 528 528 GLY N N 528 109.901 109.901 109.438 0.463 19052 1258 1 5 . 1 1 528 528 GLY C C 528 175.853 175.853 174.842 1.011 19052 1259 1 5 . 1 1 528 528 GLY CA C 528 46.143 46.143 45.950 0.193 19052 1260 1 5 . 1 1 528 528 GLY H H 528 8.251 8.251 8.548 -0.297 19052 1261 1 5 . 1 1 529 529 ALA N N 529 122.244 122.244 121.240 1.004 19052 1262 1 5 . 1 1 529 529 ALA HA H 529 3.997 3.997 3.876 0.121 19052 1263 1 5 . 1 1 529 529 ALA C C 529 171.603 171.603 176.485 -4.882 19052 1264 1 5 . 1 1 529 529 ALA CA C 529 54.036 54.036 53.005 1.031 19052 1265 1 5 . 1 1 529 529 ALA CB C 529 19.173 19.173 17.687 1.486 19052 1266 1 5 . 1 1 529 529 ALA H H 529 7.968 7.968 7.540 0.428 19052 1267 1 5 . 1 1 530 530 ALA N N 530 119.150 119.150 118.125 1.025 19052 1268 1 5 . 1 1 530 530 ALA HA H 530 4.055 4.055 3.721 0.334 19052 1269 1 5 . 1 1 530 530 ALA C C 530 172.413 172.413 175.980 -3.567 19052 1270 1 5 . 1 1 530 530 ALA CA C 530 53.591 53.591 51.403 2.188 19052 1271 1 5 . 1 1 530 530 ALA CB C 530 19.102 19.102 18.707 0.395 19052 1272 1 5 . 1 1 530 530 ALA H H 530 8.161 8.161 7.504 0.657 19052 1273 1 5 . 1 1 531 531 TRP N N 531 115.703 115.703 115.608 0.095 19052 1274 1 5 . 1 1 531 531 TRP HA H 531 4.525 4.525 4.231 0.294 19052 1275 1 5 . 1 1 531 531 TRP C C 531 173.708 173.708 174.937 -1.229 19052 1276 1 5 . 1 1 531 531 TRP CA C 531 57.449 57.449 56.950 0.499 19052 1277 1 5 . 1 1 531 531 TRP CB C 531 30.079 30.079 26.293 3.786 19052 1278 1 5 . 1 1 531 531 TRP H H 531 7.758 7.758 8.015 -0.257 19052 1279 1 5 . 1 1 532 532 ILE N N 532 120.648 120.648 118.171 2.477 19052 1280 1 5 . 1 1 532 532 ILE HA H 532 3.814 3.814 4.414 -0.600 19052 1281 1 5 . 1 1 532 532 ILE CA C 532 63.978 63.978 58.504 5.474 19052 1282 1 5 . 1 1 532 532 ILE CB C 532 37.291 37.291 38.380 -1.089 19052 1283 1 5 . 1 1 532 532 ILE H H 532 7.515 7.515 7.896 -0.381 19052 1284 1 5 . 1 1 533 533 PRO HA H 533 4.199 4.199 4.238 -0.039 19052 1285 1 5 . 1 1 533 533 PRO C C 533 173.380 173.380 177.339 -3.959 19052 1286 1 5 . 1 1 533 533 PRO CA C 533 64.877 64.877 64.652 0.225 19052 1287 1 5 . 1 1 533 533 PRO CB C 533 31.795 31.795 30.883 0.912 19052 1288 1 5 . 1 1 534 534 TYR N N 534 114.701 114.701 117.703 -3.002 19052 1289 1 5 . 1 1 534 534 TYR HA H 534 4.127 4.127 4.228 -0.101 19052 1290 1 5 . 1 1 534 534 TYR C C 534 174.356 174.356 176.826 -2.470 19052 1291 1 5 . 1 1 534 534 TYR CA C 534 60.153 60.153 60.392 -0.239 19052 1292 1 5 . 1 1 534 534 TYR CB C 534 38.665 38.665 38.076 0.589 19052 1293 1 5 . 1 1 534 534 TYR H H 534 7.558 7.558 8.008 -0.450 19052 1294 1 5 . 1 1 535 535 PHE N N 535 116.978 116.978 112.563 4.415 19052 1295 1 5 . 1 1 535 535 PHE HA H 535 4.381 4.381 5.001 -0.620 19052 1296 1 5 . 1 1 535 535 PHE C C 535 174.160 174.160 176.292 -2.132 19052 1297 1 5 . 1 1 535 535 PHE CA C 535 59.095 59.095 55.592 3.503 19052 1298 1 5 . 1 1 535 535 PHE CB C 535 40.607 40.607 38.882 1.725 19052 1299 1 5 . 1 1 535 535 PHE H H 535 8.003 8.003 6.934 1.069 19052 1300 1 5 . 1 1 536 536 GLY N N 536 107.091 107.091 112.245 -5.154 19052 1301 1 5 . 1 1 536 536 GLY CA C 536 47.335 47.335 46.692 0.643 19052 1302 1 5 . 1 1 536 536 GLY H H 536 8.130 8.130 8.775 -0.645 19052 1303 1 5 . 1 1 537 537 PRO HA H 537 4.244 4.244 4.505 -0.261 19052 1304 1 5 . 1 1 537 537 PRO C C 537 171.319 171.319 175.913 -4.594 19052 1305 1 5 . 1 1 537 537 PRO CA C 537 65.023 65.023 63.343 1.680 19052 1306 1 5 . 1 1 537 537 PRO CB C 537 31.842 31.842 30.784 1.058 19052 1307 1 5 . 1 1 538 538 ALA N N 538 120.335 120.335 119.856 0.479 19052 1308 1 5 . 1 1 538 538 ALA HA H 538 4.104 4.104 4.660 -0.556 19052 1309 1 5 . 1 1 538 538 ALA C C 538 171.431 171.431 176.149 -4.718 19052 1310 1 5 . 1 1 538 538 ALA CA C 538 54.534 54.534 52.117 2.417 19052 1311 1 5 . 1 1 538 538 ALA CB C 538 18.866 18.866 20.831 -1.965 19052 1312 1 5 . 1 1 538 538 ALA H H 538 7.913 7.913 8.171 -0.258 19052 1313 1 5 . 1 1 539 539 ALA N N 539 120.016 120.016 119.521 0.495 19052 1314 1 5 . 1 1 539 539 ALA HA H 539 3.916 3.916 4.815 -0.899 19052 1315 1 5 . 1 1 539 539 ALA C C 539 171.593 171.593 176.947 -5.354 19052 1316 1 5 . 1 1 539 539 ALA CA C 539 54.669 54.669 52.837 1.832 19052 1317 1 5 . 1 1 539 539 ALA CB C 539 18.929 18.929 20.395 -1.466 19052 1318 1 5 . 1 1 539 539 ALA H H 539 8.105 8.105 7.538 0.567 19052 1319 1 5 . 1 1 540 540 GLU N N 540 116.288 116.288 121.036 -4.748 19052 1320 1 5 . 1 1 540 540 GLU HA H 540 3.922 3.922 4.381 -0.459 19052 1321 1 5 . 1 1 540 540 GLU C C 540 171.649 171.649 177.127 -5.478 19052 1322 1 5 . 1 1 540 540 GLU CA C 540 59.055 59.055 55.901 3.154 19052 1323 1 5 . 1 1 540 540 GLU CB C 540 29.335 29.335 27.369 1.966 19052 1324 1 5 . 1 1 540 540 GLU H H 540 8.081 8.081 8.493 -0.412 19052 1325 1 5 . 1 1 541 541 GLY N N 541 107.262 107.262 109.550 -2.288 19052 1326 1 5 . 1 1 541 541 GLY C C 541 174.868 174.868 174.695 0.173 19052 1327 1 5 . 1 1 541 541 GLY CA C 541 46.506 46.506 45.613 0.893 19052 1328 1 5 . 1 1 541 541 GLY H H 541 8.063 8.063 9.087 -1.024 19052 1329 1 5 . 1 1 542 542 ILE N N 542 120.614 120.614 119.636 0.978 19052 1330 1 5 . 1 1 542 542 ILE HA H 542 3.760 3.760 3.719 0.041 19052 1331 1 5 . 1 1 542 542 ILE C C 542 173.000 173.000 176.649 -3.649 19052 1332 1 5 . 1 1 542 542 ILE CA C 542 64.103 64.103 63.248 0.855 19052 1333 1 5 . 1 1 542 542 ILE CB C 542 38.394 38.394 38.146 0.248 19052 1334 1 5 . 1 1 542 542 ILE H H 542 7.843 7.843 7.918 -0.075 19052 1335 1 5 . 1 1 543 543 TYR N N 543 120.210 120.210 117.850 2.360 19052 1336 1 5 . 1 1 543 543 TYR HA H 543 4.178 4.178 4.149 0.029 19052 1337 1 5 . 1 1 543 543 TYR C C 543 173.268 173.268 176.960 -3.692 19052 1338 1 5 . 1 1 543 543 TYR CA C 543 60.547 60.547 59.595 0.952 19052 1339 1 5 . 1 1 543 543 TYR CB C 543 38.923 38.923 36.034 2.889 19052 1340 1 5 . 1 1 543 543 TYR H H 543 8.027 8.027 8.369 -0.342 19052 1341 1 5 . 1 1 544 544 ALA N N 544 121.025 121.025 121.239 -0.214 19052 1342 1 5 . 1 1 544 544 ALA HA H 544 3.953 3.953 3.910 0.043 19052 1343 1 5 . 1 1 544 544 ALA C C 544 171.072 171.072 179.248 -8.176 19052 1344 1 5 . 1 1 544 544 ALA CA C 544 54.440 54.440 54.043 0.397 19052 1345 1 5 . 1 1 544 544 ALA CB C 544 19.028 19.028 17.692 1.337 19052 1346 1 5 . 1 1 544 544 ALA H H 544 8.079 8.079 7.516 0.563 19052 1347 1 5 . 1 1 545 545 GLU N N 545 116.132 116.132 119.255 -3.123 19052 1348 1 5 . 1 1 545 545 GLU HA H 545 4.096 4.096 4.035 0.061 19052 1349 1 5 . 1 1 545 545 GLU C C 545 172.525 172.525 178.437 -5.912 19052 1350 1 5 . 1 1 545 545 GLU CA C 545 57.355 57.355 57.681 -0.326 19052 1351 1 5 . 1 1 545 545 GLU CB C 545 29.517 29.517 29.846 -0.329 19052 1352 1 5 . 1 1 545 545 GLU H H 545 7.880 7.880 8.203 -0.323 19052 1353 1 5 . 1 1 546 546 GLY N N 546 107.283 107.283 108.346 -1.063 19052 1354 1 5 . 1 1 546 546 GLY C C 546 175.638 175.638 174.396 1.242 19052 1355 1 5 . 1 1 546 546 GLY CA C 546 46.241 46.241 46.564 -0.323 19052 1356 1 5 . 1 1 546 546 GLY H H 546 8.028 8.028 8.390 -0.362 19052 1357 1 5 . 1 1 547 547 LEU N N 547 119.944 119.944 112.293 7.651 19052 1358 1 5 . 1 1 547 547 LEU HA H 547 4.127 4.127 4.895 -0.768 19052 1359 1 5 . 1 1 547 547 LEU C C 547 172.747 172.747 176.123 -3.376 19052 1360 1 5 . 1 1 547 547 LEU CA C 547 56.418 56.418 55.486 0.932 19052 1361 1 5 . 1 1 547 547 LEU CB C 547 42.717 42.717 43.706 -0.989 19052 1362 1 5 . 1 1 547 547 LEU H H 547 7.865 7.865 8.108 -0.243 19052 1363 1 5 . 1 1 548 548 MET N N 548 115.796 115.796 115.911 -0.115 19052 1364 1 5 . 1 1 548 548 MET HA H 548 4.231 4.231 4.632 -0.401 19052 1365 1 5 . 1 1 548 548 MET C C 548 173.854 173.854 176.590 -2.736 19052 1366 1 5 . 1 1 548 548 MET CA C 548 55.914 55.914 56.311 -0.397 19052 1367 1 5 . 1 1 548 548 MET CB C 548 32.474 32.474 32.780 -0.306 19052 1368 1 5 . 1 1 548 548 MET H H 548 7.958 7.958 8.363 -0.405 19052 1369 1 5 . 1 1 549 549 HIS N N 549 116.928 116.928 119.395 -2.467 19052 1370 1 5 . 1 1 549 549 HIS HA H 549 4.572 4.572 4.445 0.127 19052 1371 1 5 . 1 1 549 549 HIS C C 549 175.817 175.817 175.909 -0.092 19052 1372 1 5 . 1 1 549 549 HIS CA C 549 55.746 55.746 59.268 -3.522 19052 1373 1 5 . 1 1 549 549 HIS CB C 549 28.918 28.918 29.502 -0.584 19052 1374 1 5 . 1 1 549 549 HIS H H 549 8.059 8.059 8.768 -0.709 19052 1375 1 5 . 1 1 550 550 ASN N N 550 118.413 118.413 116.115 2.298 19052 1376 1 5 . 1 1 550 550 ASN HA H 550 4.554 4.554 4.691 -0.137 19052 1377 1 5 . 1 1 550 550 ASN C C 550 174.738 174.738 175.770 -1.032 19052 1378 1 5 . 1 1 550 550 ASN CA C 550 53.874 53.874 53.112 0.762 19052 1379 1 5 . 1 1 550 550 ASN CB C 550 38.883 38.883 37.855 1.028 19052 1380 1 5 . 1 1 550 550 ASN H H 550 8.222 8.222 8.884 -0.662 19052 1381 1 5 . 1 1 551 551 GLN N N 551 119.844 119.844 119.789 0.055 19052 1382 1 5 . 1 1 551 551 GLN HA H 551 4.217 4.217 4.107 0.110 19052 1383 1 5 . 1 1 551 551 GLN C C 551 173.745 173.745 175.836 -2.091 19052 1384 1 5 . 1 1 551 551 GLN CA C 551 56.477 56.477 56.503 -0.026 19052 1385 1 5 . 1 1 551 551 GLN CB C 551 29.046 29.046 29.161 -0.115 19052 1386 1 5 . 1 1 551 551 GLN H H 551 8.336 8.336 7.779 0.557 19052 1387 1 5 . 1 1 552 552 ASP N N 552 119.497 119.497 119.592 -0.095 19052 1388 1 5 . 1 1 552 552 ASP HA H 552 4.434 4.434 4.555 -0.121 19052 1389 1 5 . 1 1 552 552 ASP C C 552 173.446 173.446 175.963 -2.517 19052 1390 1 5 . 1 1 552 552 ASP CA C 552 55.146 55.146 54.859 0.287 19052 1391 1 5 . 1 1 552 552 ASP CB C 552 41.174 41.174 42.325 -1.151 19052 1392 1 5 . 1 1 552 552 ASP H H 552 8.192 8.192 8.461 -0.269 19052 1393 1 5 . 1 1 553 553 GLY N N 553 107.920 107.920 106.942 0.978 19052 1394 1 5 . 1 1 553 553 GLY C C 553 175.627 175.627 175.276 0.351 19052 1395 1 5 . 1 1 553 553 GLY CA C 553 45.791 45.791 44.995 0.796 19052 1396 1 5 . 1 1 553 553 GLY H H 553 8.114 8.114 7.842 0.272 19052 1397 1 5 . 1 1 554 554 LEU N N 554 121.436 121.436 118.468 2.968 19052 1398 1 5 . 1 1 554 554 LEU HA H 554 4.150 4.150 4.065 0.085 19052 1399 1 5 . 1 1 554 554 LEU C C 554 172.742 172.742 176.835 -4.093 19052 1400 1 5 . 1 1 554 554 LEU CA C 554 56.520 56.520 56.976 -0.456 19052 1401 1 5 . 1 1 554 554 LEU CB C 554 42.857 42.857 41.907 0.950 19052 1402 1 5 . 1 1 554 554 LEU H H 554 8.055 8.055 7.766 0.289 19052 1403 1 5 . 1 1 555 555 ILE N N 555 117.147 117.147 114.534 2.613 19052 1404 1 5 . 1 1 555 555 ILE HA H 555 3.947 3.947 3.852 0.095 19052 1405 1 5 . 1 1 555 555 ILE C C 555 174.354 174.354 177.426 -3.072 19052 1406 1 5 . 1 1 555 555 ILE CA C 555 62.214 62.214 60.443 1.771 19052 1407 1 5 . 1 1 555 555 ILE CB C 555 38.447 38.447 35.792 2.655 19052 1408 1 5 . 1 1 555 555 ILE H H 555 7.946 7.946 7.703 0.243 19052 1409 1 5 . 1 1 556 556 CYS N N 556 119.354 119.354 125.332 -5.978 19052 1410 1 5 . 1 1 556 556 CYS HA H 556 4.439 4.439 4.270 0.169 19052 1411 1 5 . 1 1 556 556 CYS C C 556 174.864 174.864 176.141 -1.277 19052 1412 1 5 . 1 1 556 556 CYS CA C 556 55.915 55.915 60.646 -4.731 19052 1413 1 5 . 1 1 556 556 CYS CB C 556 40.902 40.902 27.821 13.081 19052 1414 1 5 . 1 1 556 556 CYS H H 556 8.193 8.193 8.986 -0.793 19052 1415 1 5 . 1 1 557 557 GLY N N 557 108.370 108.370 107.336 1.034 19052 1416 1 5 . 1 1 557 557 GLY C C 557 176.365 176.365 174.126 2.239 19052 1417 1 5 . 1 1 557 557 GLY CA C 557 45.923 45.923 45.578 0.345 19052 1418 1 5 . 1 1 557 557 GLY H H 557 8.112 8.112 8.437 -0.325 19052 1419 1 5 . 1 1 558 558 LEU N N 558 120.302 120.302 116.145 4.157 19052 1420 1 5 . 1 1 558 558 LEU HA H 558 4.209 4.209 4.678 -0.469 19052 1421 1 5 . 1 1 558 558 LEU C C 558 173.387 173.387 175.336 -1.949 19052 1422 1 5 . 1 1 558 558 LEU CA C 558 55.568 55.568 54.686 0.882 19052 1423 1 5 . 1 1 558 558 LEU CB C 558 42.943 42.943 42.014 0.929 19052 1424 1 5 . 1 1 558 558 LEU H H 558 7.816 7.816 7.629 0.187 19052 1425 1 5 . 1 1 559 559 ARG N N 559 119.826 119.826 117.049 2.777 19052 1426 1 5 . 1 1 559 559 ARG HA H 559 4.246 4.246 4.013 0.233 19052 1427 1 5 . 1 1 559 559 ARG C C 559 175.047 175.047 174.373 0.674 19052 1428 1 5 . 1 1 559 559 ARG CA C 559 55.858 55.858 56.921 -1.063 19052 1429 1 5 . 1 1 559 559 ARG CB C 559 30.806 30.806 29.432 1.374 19052 1430 1 5 . 1 1 559 559 ARG H H 559 7.996 7.996 7.837 0.159 19052 1431 1 6 . 1 1 508 508 GLN N N 508 120.688 120.688 123.303 -2.615 19052 1432 1 6 . 1 1 508 508 GLN HA H 508 4.590 4.590 4.552 0.038 19052 1433 1 6 . 1 1 508 508 GLN CA C 508 53.781 53.781 53.808 -0.027 19052 1434 1 6 . 1 1 508 508 GLN CB C 508 29.074 29.074 29.024 0.050 19052 1435 1 6 . 1 1 508 508 GLN H H 508 8.558 8.558 8.380 0.178 19052 1436 1 6 . 1 1 509 509 PRO HA H 509 4.322 4.322 4.534 -0.212 19052 1437 1 6 . 1 1 509 509 PRO C C 509 173.716 173.716 175.787 -2.071 19052 1438 1 6 . 1 1 509 509 PRO CA C 509 63.284 63.284 62.427 0.857 19052 1439 1 6 . 1 1 509 509 PRO CB C 509 32.273 32.273 31.895 0.378 19052 1440 1 6 . 1 1 510 510 LYS N N 510 121.212 121.212 117.600 3.612 19052 1441 1 6 . 1 1 510 510 LYS HA H 510 4.205 4.205 3.928 0.277 19052 1442 1 6 . 1 1 510 510 LYS C C 510 173.988 173.988 175.322 -1.334 19052 1443 1 6 . 1 1 510 510 LYS CA C 510 56.301 56.301 57.277 -0.976 19052 1444 1 6 . 1 1 510 510 LYS CB C 510 33.419 33.419 30.121 3.298 19052 1445 1 6 . 1 1 510 510 LYS H H 510 8.322 8.322 8.496 -0.174 19052 1446 1 6 . 1 1 511 511 CYS N N 511 119.342 119.342 115.010 4.332 19052 1447 1 6 . 1 1 511 511 CYS HA H 511 4.558 4.558 4.753 -0.195 19052 1448 1 6 . 1 1 511 511 CYS C C 511 176.901 176.901 173.837 3.064 19052 1449 1 6 . 1 1 511 511 CYS CA C 511 55.516 55.516 55.810 -0.294 19052 1450 1 6 . 1 1 511 511 CYS CB C 511 41.836 41.836 27.796 14.040 19052 1451 1 6 . 1 1 511 511 CYS H H 511 8.269 8.269 8.399 -0.130 19052 1452 1 6 . 1 1 512 512 ASN N N 512 122.311 122.311 120.523 1.788 19052 1453 1 6 . 1 1 512 512 ASN HA H 512 4.890 4.890 5.105 -0.215 19052 1454 1 6 . 1 1 512 512 ASN CA C 512 51.259 51.259 50.991 0.268 19052 1455 1 6 . 1 1 512 512 ASN CB C 512 39.388 39.388 39.321 0.067 19052 1456 1 6 . 1 1 512 512 ASN H H 512 8.605 8.605 8.046 0.559 19052 1457 1 6 . 1 1 513 513 PRO HA H 513 4.295 4.295 4.516 -0.221 19052 1458 1 6 . 1 1 513 513 PRO C C 513 173.951 173.951 176.032 -2.081 19052 1459 1 6 . 1 1 513 513 PRO CA C 513 63.657 63.657 63.838 -0.181 19052 1460 1 6 . 1 1 513 513 PRO CB C 513 32.188 32.188 32.276 -0.089 19052 1461 1 6 . 1 1 514 514 ASN N N 514 117.512 117.512 114.706 2.806 19052 1462 1 6 . 1 1 514 514 ASN HA H 514 4.539 4.539 4.683 -0.144 19052 1463 1 6 . 1 1 514 514 ASN C C 514 175.348 175.348 174.352 0.996 19052 1464 1 6 . 1 1 514 514 ASN CA C 514 53.557 53.557 52.997 0.560 19052 1465 1 6 . 1 1 514 514 ASN CB C 514 39.195 39.195 39.818 -0.623 19052 1466 1 6 . 1 1 514 514 ASN H H 514 8.288 8.288 8.106 0.182 19052 1467 1 6 . 1 1 515 515 LEU N N 515 121.066 121.066 116.876 4.190 19052 1468 1 6 . 1 1 515 515 LEU HA H 515 4.157 4.157 4.308 -0.151 19052 1469 1 6 . 1 1 515 515 LEU C C 515 173.686 173.686 175.680 -1.994 19052 1470 1 6 . 1 1 515 515 LEU CA C 515 55.344 55.344 55.929 -0.585 19052 1471 1 6 . 1 1 515 515 LEU CB C 515 42.525 42.525 39.890 2.635 19052 1472 1 6 . 1 1 515 515 LEU H H 515 7.773 7.773 8.307 -0.534 19052 1473 1 6 . 1 1 516 516 HIS N N 516 117.512 117.512 115.898 1.614 19052 1474 1 6 . 1 1 516 516 HIS HA H 516 4.438 4.438 4.649 -0.211 19052 1475 1 6 . 1 1 516 516 HIS C C 516 175.736 175.736 175.399 0.337 19052 1476 1 6 . 1 1 516 516 HIS CA C 516 55.806 55.806 55.435 0.371 19052 1477 1 6 . 1 1 516 516 HIS CB C 516 28.903 28.903 30.757 -1.854 19052 1478 1 6 . 1 1 516 516 HIS H H 516 8.109 8.109 8.264 -0.155 19052 1479 1 6 . 1 1 517 517 TYR N N 517 120.068 120.068 117.017 3.051 19052 1480 1 6 . 1 1 517 517 TYR HA H 517 4.206 4.206 3.972 0.234 19052 1481 1 6 . 1 1 517 517 TYR C C 517 174.847 174.847 175.324 -0.477 19052 1482 1 6 . 1 1 517 517 TYR CA C 517 59.252 59.252 58.154 1.098 19052 1483 1 6 . 1 1 517 517 TYR CB C 517 39.066 39.066 37.012 2.054 19052 1484 1 6 . 1 1 517 517 TYR H H 517 8.070 8.070 7.606 0.464 19052 1485 1 6 . 1 1 518 518 TRP N N 518 118.503 118.503 119.291 -0.788 19052 1486 1 6 . 1 1 518 518 TRP HA H 518 4.549 4.549 4.639 -0.090 19052 1487 1 6 . 1 1 518 518 TRP C C 518 174.443 174.443 175.947 -1.504 19052 1488 1 6 . 1 1 518 518 TRP CA C 518 57.822 57.822 56.608 1.214 19052 1489 1 6 . 1 1 518 518 TRP CB C 518 29.912 29.912 31.144 -1.232 19052 1490 1 6 . 1 1 518 518 TRP H H 518 7.641 7.641 7.194 0.447 19052 1491 1 6 . 1 1 519 519 THR N N 519 112.242 112.242 111.276 0.966 19052 1492 1 6 . 1 1 519 519 THR HA H 519 4.340 4.340 4.432 -0.092 19052 1493 1 6 . 1 1 519 519 THR C C 519 175.579 175.579 173.974 1.605 19052 1494 1 6 . 1 1 519 519 THR CA C 519 61.791 61.791 62.723 -0.932 19052 1495 1 6 . 1 1 519 519 THR CB C 519 70.049 70.049 69.080 0.969 19052 1496 1 6 . 1 1 519 519 THR H H 519 7.887 7.887 7.726 0.161 19052 1497 1 6 . 1 1 520 520 THR N N 520 114.383 114.383 114.521 -0.138 19052 1498 1 6 . 1 1 520 520 THR HA H 520 4.245 4.245 4.467 -0.222 19052 1499 1 6 . 1 1 520 520 THR C C 520 175.402 175.402 173.197 2.205 19052 1500 1 6 . 1 1 520 520 THR CA C 520 62.140 62.140 62.904 -0.764 19052 1501 1 6 . 1 1 520 520 THR CB C 520 69.994 69.994 69.484 0.510 19052 1502 1 6 . 1 1 520 520 THR H H 520 7.936 7.936 7.808 0.128 19052 1503 1 6 . 1 1 521 521 GLN N N 521 121.482 121.482 121.458 0.024 19052 1504 1 6 . 1 1 521 521 GLN HA H 521 4.167 4.167 4.423 -0.256 19052 1505 1 6 . 1 1 521 521 GLN C C 521 174.280 174.280 175.521 -1.241 19052 1506 1 6 . 1 1 521 521 GLN CA C 521 56.569 56.569 55.902 0.667 19052 1507 1 6 . 1 1 521 521 GLN CB C 521 29.357 29.357 29.185 0.172 19052 1508 1 6 . 1 1 521 521 GLN H H 521 8.238 8.238 8.160 0.078 19052 1509 1 6 . 1 1 522 522 ASP N N 522 120.331 120.331 119.186 1.145 19052 1510 1 6 . 1 1 522 522 ASP HA H 522 4.436 4.436 4.362 0.074 19052 1511 1 6 . 1 1 522 522 ASP C C 522 173.622 173.622 176.699 -3.077 19052 1512 1 6 . 1 1 522 522 ASP CA C 522 55.067 55.067 55.921 -0.854 19052 1513 1 6 . 1 1 522 522 ASP CB C 522 41.079 41.079 40.758 0.321 19052 1514 1 6 . 1 1 522 522 ASP H H 522 8.151 8.151 8.707 -0.556 19052 1515 1 6 . 1 1 523 523 GLU N N 523 120.580 120.580 115.297 5.283 19052 1516 1 6 . 1 1 523 523 GLU HA H 523 4.086 4.086 3.745 0.341 19052 1517 1 6 . 1 1 523 523 GLU C C 523 173.037 173.037 175.769 -2.732 19052 1518 1 6 . 1 1 523 523 GLU CA C 523 57.580 57.580 57.150 0.430 19052 1519 1 6 . 1 1 523 523 GLU CB C 523 29.542 29.542 26.578 2.964 19052 1520 1 6 . 1 1 523 523 GLU H H 523 8.261 8.261 7.882 0.379 19052 1521 1 6 . 1 1 524 524 GLY N N 524 108.383 108.383 101.463 6.920 19052 1522 1 6 . 1 1 524 524 GLY C C 524 175.981 175.981 174.534 1.447 19052 1523 1 6 . 1 1 524 524 GLY CA C 524 45.936 45.936 44.440 1.496 19052 1524 1 6 . 1 1 524 524 GLY H H 524 8.287 8.287 8.269 0.018 19052 1525 1 6 . 1 1 525 525 ALA N N 525 122.951 122.951 124.646 -1.695 19052 1526 1 6 . 1 1 525 525 ALA HA H 525 4.150 4.150 4.275 -0.125 19052 1527 1 6 . 1 1 525 525 ALA C C 525 172.507 172.507 177.203 -4.696 19052 1528 1 6 . 1 1 525 525 ALA CA C 525 53.068 53.068 51.127 1.941 19052 1529 1 6 . 1 1 525 525 ALA CB C 525 19.406 19.406 16.912 2.494 19052 1530 1 6 . 1 1 525 525 ALA H H 525 7.846 7.846 7.673 0.173 19052 1531 1 6 . 1 1 526 526 ALA N N 526 122.022 122.022 121.706 0.316 19052 1532 1 6 . 1 1 526 526 ALA HA H 526 4.181 4.181 3.883 0.298 19052 1533 1 6 . 1 1 526 526 ALA C C 526 172.070 172.070 176.342 -4.272 19052 1534 1 6 . 1 1 526 526 ALA CA C 526 53.158 53.158 53.043 0.115 19052 1535 1 6 . 1 1 526 526 ALA CB C 526 19.271 19.271 17.871 1.400 19052 1536 1 6 . 1 1 526 526 ALA H H 526 8.014 8.014 8.366 -0.352 19052 1537 1 6 . 1 1 527 527 ILE N N 527 118.520 118.520 119.469 -0.949 19052 1538 1 6 . 1 1 527 527 ILE HA H 527 3.887 3.887 4.057 -0.170 19052 1539 1 6 . 1 1 527 527 ILE C C 527 173.664 173.664 176.661 -2.997 19052 1540 1 6 . 1 1 527 527 ILE CA C 527 62.221 62.221 61.871 0.350 19052 1541 1 6 . 1 1 527 527 ILE CB C 527 38.735 38.735 37.841 0.894 19052 1542 1 6 . 1 1 527 527 ILE H H 527 7.907 7.907 7.980 -0.073 19052 1543 1 6 . 1 1 528 528 GLY N N 528 109.901 109.901 108.998 0.903 19052 1544 1 6 . 1 1 528 528 GLY C C 528 175.853 175.853 174.597 1.256 19052 1545 1 6 . 1 1 528 528 GLY CA C 528 46.143 46.143 46.115 0.028 19052 1546 1 6 . 1 1 528 528 GLY H H 528 8.251 8.251 8.290 -0.039 19052 1547 1 6 . 1 1 529 529 ALA N N 529 122.244 122.244 121.313 0.931 19052 1548 1 6 . 1 1 529 529 ALA HA H 529 3.997 3.997 3.866 0.131 19052 1549 1 6 . 1 1 529 529 ALA C C 529 171.603 171.603 176.481 -4.878 19052 1550 1 6 . 1 1 529 529 ALA CA C 529 54.036 54.036 53.007 1.029 19052 1551 1 6 . 1 1 529 529 ALA CB C 529 19.173 19.173 17.662 1.512 19052 1552 1 6 . 1 1 529 529 ALA H H 529 7.968 7.968 7.559 0.409 19052 1553 1 6 . 1 1 530 530 ALA N N 530 119.150 119.150 118.122 1.028 19052 1554 1 6 . 1 1 530 530 ALA HA H 530 4.055 4.055 3.715 0.340 19052 1555 1 6 . 1 1 530 530 ALA C C 530 172.413 172.413 175.937 -3.524 19052 1556 1 6 . 1 1 530 530 ALA CA C 530 53.591 53.591 51.397 2.194 19052 1557 1 6 . 1 1 530 530 ALA CB C 530 19.102 19.102 18.657 0.445 19052 1558 1 6 . 1 1 530 530 ALA H H 530 8.161 8.161 7.517 0.644 19052 1559 1 6 . 1 1 531 531 TRP N N 531 115.703 115.703 115.622 0.081 19052 1560 1 6 . 1 1 531 531 TRP HA H 531 4.525 4.525 4.240 0.285 19052 1561 1 6 . 1 1 531 531 TRP C C 531 173.708 173.708 174.899 -1.191 19052 1562 1 6 . 1 1 531 531 TRP CA C 531 57.449 57.449 56.940 0.509 19052 1563 1 6 . 1 1 531 531 TRP CB C 531 30.079 30.079 26.312 3.767 19052 1564 1 6 . 1 1 531 531 TRP H H 531 7.758 7.758 7.982 -0.224 19052 1565 1 6 . 1 1 532 532 ILE N N 532 120.648 120.648 118.115 2.533 19052 1566 1 6 . 1 1 532 532 ILE HA H 532 3.814 3.814 4.385 -0.571 19052 1567 1 6 . 1 1 532 532 ILE CA C 532 63.978 63.978 58.443 5.535 19052 1568 1 6 . 1 1 532 532 ILE CB C 532 37.291 37.291 38.251 -0.960 19052 1569 1 6 . 1 1 532 532 ILE H H 532 7.515 7.515 7.876 -0.361 19052 1570 1 6 . 1 1 533 533 PRO HA H 533 4.199 4.199 4.243 -0.044 19052 1571 1 6 . 1 1 533 533 PRO C C 533 173.380 173.380 177.333 -3.953 19052 1572 1 6 . 1 1 533 533 PRO CA C 533 64.877 64.877 64.696 0.181 19052 1573 1 6 . 1 1 533 533 PRO CB C 533 31.795 31.795 30.897 0.898 19052 1574 1 6 . 1 1 534 534 TYR N N 534 114.701 114.701 116.936 -2.235 19052 1575 1 6 . 1 1 534 534 TYR HA H 534 4.127 4.127 4.333 -0.206 19052 1576 1 6 . 1 1 534 534 TYR C C 534 174.356 174.356 177.382 -3.026 19052 1577 1 6 . 1 1 534 534 TYR CA C 534 60.153 60.153 60.600 -0.447 19052 1578 1 6 . 1 1 534 534 TYR CB C 534 38.665 38.665 38.409 0.256 19052 1579 1 6 . 1 1 534 534 TYR H H 534 7.558 7.558 7.978 -0.420 19052 1580 1 6 . 1 1 535 535 PHE N N 535 116.978 116.978 112.497 4.481 19052 1581 1 6 . 1 1 535 535 PHE HA H 535 4.381 4.381 4.989 -0.608 19052 1582 1 6 . 1 1 535 535 PHE C C 535 174.160 174.160 176.225 -2.065 19052 1583 1 6 . 1 1 535 535 PHE CA C 535 59.095 59.095 55.606 3.489 19052 1584 1 6 . 1 1 535 535 PHE CB C 535 40.607 40.607 38.826 1.781 19052 1585 1 6 . 1 1 535 535 PHE H H 535 8.003 8.003 7.077 0.926 19052 1586 1 6 . 1 1 536 536 GLY N N 536 107.091 107.091 112.019 -4.928 19052 1587 1 6 . 1 1 536 536 GLY CA C 536 47.335 47.335 46.508 0.827 19052 1588 1 6 . 1 1 536 536 GLY H H 536 8.130 8.130 8.715 -0.585 19052 1589 1 6 . 1 1 537 537 PRO HA H 537 4.244 4.244 4.725 -0.481 19052 1590 1 6 . 1 1 537 537 PRO C C 537 171.319 171.319 175.897 -4.578 19052 1591 1 6 . 1 1 537 537 PRO CA C 537 65.023 65.023 63.389 1.634 19052 1592 1 6 . 1 1 537 537 PRO CB C 537 31.842 31.842 31.033 0.809 19052 1593 1 6 . 1 1 538 538 ALA N N 538 120.335 120.335 118.703 1.632 19052 1594 1 6 . 1 1 538 538 ALA HA H 538 4.104 4.104 4.599 -0.495 19052 1595 1 6 . 1 1 538 538 ALA C C 538 171.431 171.431 176.318 -4.887 19052 1596 1 6 . 1 1 538 538 ALA CA C 538 54.534 54.534 52.224 2.309 19052 1597 1 6 . 1 1 538 538 ALA CB C 538 18.866 18.866 20.567 -1.702 19052 1598 1 6 . 1 1 538 538 ALA H H 538 7.913 7.913 7.963 -0.050 19052 1599 1 6 . 1 1 539 539 ALA N N 539 120.016 120.016 119.319 0.697 19052 1600 1 6 . 1 1 539 539 ALA HA H 539 3.916 3.916 4.764 -0.848 19052 1601 1 6 . 1 1 539 539 ALA C C 539 171.593 171.593 177.115 -5.522 19052 1602 1 6 . 1 1 539 539 ALA CA C 539 54.669 54.669 52.741 1.928 19052 1603 1 6 . 1 1 539 539 ALA CB C 539 18.929 18.929 20.455 -1.526 19052 1604 1 6 . 1 1 539 539 ALA H H 539 8.105 8.105 7.515 0.590 19052 1605 1 6 . 1 1 540 540 GLU N N 540 116.288 116.288 120.841 -4.553 19052 1606 1 6 . 1 1 540 540 GLU HA H 540 3.922 3.922 4.404 -0.482 19052 1607 1 6 . 1 1 540 540 GLU C C 540 171.649 171.649 177.026 -5.377 19052 1608 1 6 . 1 1 540 540 GLU CA C 540 59.055 59.055 56.272 2.783 19052 1609 1 6 . 1 1 540 540 GLU CB C 540 29.335 29.335 27.763 1.572 19052 1610 1 6 . 1 1 540 540 GLU H H 540 8.081 8.081 8.579 -0.498 19052 1611 1 6 . 1 1 541 541 GLY N N 541 107.262 107.262 109.110 -1.848 19052 1612 1 6 . 1 1 541 541 GLY C C 541 174.868 174.868 175.006 -0.138 19052 1613 1 6 . 1 1 541 541 GLY CA C 541 46.506 46.506 45.703 0.803 19052 1614 1 6 . 1 1 541 541 GLY H H 541 8.063 8.063 9.173 -1.110 19052 1615 1 6 . 1 1 542 542 ILE N N 542 120.614 120.614 121.787 -1.173 19052 1616 1 6 . 1 1 542 542 ILE HA H 542 3.760 3.760 3.548 0.212 19052 1617 1 6 . 1 1 542 542 ILE C C 542 173.000 173.000 176.162 -3.162 19052 1618 1 6 . 1 1 542 542 ILE CA C 542 64.103 64.103 64.019 0.084 19052 1619 1 6 . 1 1 542 542 ILE CB C 542 38.394 38.394 37.750 0.644 19052 1620 1 6 . 1 1 542 542 ILE H H 542 7.843 7.843 8.158 -0.315 19052 1621 1 6 . 1 1 543 543 TYR N N 543 120.210 120.210 117.162 3.048 19052 1622 1 6 . 1 1 543 543 TYR HA H 543 4.178 4.178 4.147 0.031 19052 1623 1 6 . 1 1 543 543 TYR C C 543 173.268 173.268 177.014 -3.746 19052 1624 1 6 . 1 1 543 543 TYR CA C 543 60.547 60.547 59.110 1.437 19052 1625 1 6 . 1 1 543 543 TYR CB C 543 38.923 38.923 35.779 3.144 19052 1626 1 6 . 1 1 543 543 TYR H H 543 8.027 8.027 8.397 -0.370 19052 1627 1 6 . 1 1 544 544 ALA N N 544 121.025 121.025 121.346 -0.321 19052 1628 1 6 . 1 1 544 544 ALA HA H 544 3.953 3.953 3.738 0.215 19052 1629 1 6 . 1 1 544 544 ALA C C 544 171.072 171.072 179.289 -8.217 19052 1630 1 6 . 1 1 544 544 ALA CA C 544 54.440 54.440 53.998 0.442 19052 1631 1 6 . 1 1 544 544 ALA CB C 544 19.028 19.028 17.720 1.308 19052 1632 1 6 . 1 1 544 544 ALA H H 544 8.079 8.079 7.072 1.007 19052 1633 1 6 . 1 1 545 545 GLU N N 545 116.132 116.132 118.731 -2.599 19052 1634 1 6 . 1 1 545 545 GLU HA H 545 4.096 4.096 4.028 0.068 19052 1635 1 6 . 1 1 545 545 GLU C C 545 172.525 172.525 178.189 -5.664 19052 1636 1 6 . 1 1 545 545 GLU CA C 545 57.355 57.355 57.259 0.096 19052 1637 1 6 . 1 1 545 545 GLU CB C 545 29.517 29.517 29.585 -0.068 19052 1638 1 6 . 1 1 545 545 GLU H H 545 7.880 7.880 8.264 -0.384 19052 1639 1 6 . 1 1 546 546 GLY N N 546 107.283 107.283 109.965 -2.682 19052 1640 1 6 . 1 1 546 546 GLY C C 546 175.638 175.638 174.234 1.404 19052 1641 1 6 . 1 1 546 546 GLY CA C 546 46.241 46.241 45.902 0.339 19052 1642 1 6 . 1 1 546 546 GLY H H 546 8.028 8.028 8.180 -0.152 19052 1643 1 6 . 1 1 547 547 LEU N N 547 119.944 119.944 115.872 4.072 19052 1644 1 6 . 1 1 547 547 LEU HA H 547 4.127 4.127 4.684 -0.557 19052 1645 1 6 . 1 1 547 547 LEU C C 547 172.747 172.747 176.399 -3.652 19052 1646 1 6 . 1 1 547 547 LEU CA C 547 56.418 56.418 55.522 0.896 19052 1647 1 6 . 1 1 547 547 LEU CB C 547 42.717 42.717 43.024 -0.307 19052 1648 1 6 . 1 1 547 547 LEU H H 547 7.865 7.865 8.725 -0.860 19052 1649 1 6 . 1 1 548 548 MET N N 548 115.796 115.796 111.839 3.957 19052 1650 1 6 . 1 1 548 548 MET HA H 548 4.231 4.231 4.676 -0.445 19052 1651 1 6 . 1 1 548 548 MET C C 548 173.854 173.854 176.687 -2.833 19052 1652 1 6 . 1 1 548 548 MET CA C 548 55.914 55.914 56.861 -0.947 19052 1653 1 6 . 1 1 548 548 MET CB C 548 32.474 32.474 33.431 -0.957 19052 1654 1 6 . 1 1 548 548 MET H H 548 7.958 7.958 9.132 -1.174 19052 1655 1 6 . 1 1 549 549 HIS N N 549 116.928 116.928 119.635 -2.707 19052 1656 1 6 . 1 1 549 549 HIS HA H 549 4.572 4.572 4.443 0.129 19052 1657 1 6 . 1 1 549 549 HIS C C 549 175.817 175.817 175.813 0.004 19052 1658 1 6 . 1 1 549 549 HIS CA C 549 55.746 55.746 58.832 -3.086 19052 1659 1 6 . 1 1 549 549 HIS CB C 549 28.918 28.918 29.463 -0.545 19052 1660 1 6 . 1 1 549 549 HIS H H 549 8.059 8.059 8.373 -0.314 19052 1661 1 6 . 1 1 550 550 ASN N N 550 118.413 118.413 115.288 3.125 19052 1662 1 6 . 1 1 550 550 ASN HA H 550 4.554 4.554 4.587 -0.033 19052 1663 1 6 . 1 1 550 550 ASN C C 550 174.738 174.738 175.842 -1.104 19052 1664 1 6 . 1 1 550 550 ASN CA C 550 53.874 53.874 53.321 0.554 19052 1665 1 6 . 1 1 550 550 ASN CB C 550 38.883 38.883 38.132 0.751 19052 1666 1 6 . 1 1 550 550 ASN H H 550 8.222 8.222 7.982 0.240 19052 1667 1 6 . 1 1 551 551 GLN N N 551 119.844 119.844 120.003 -0.159 19052 1668 1 6 . 1 1 551 551 GLN HA H 551 4.217 4.217 4.184 0.033 19052 1669 1 6 . 1 1 551 551 GLN C C 551 173.745 173.745 175.257 -1.512 19052 1670 1 6 . 1 1 551 551 GLN CA C 551 56.477 56.477 57.074 -0.597 19052 1671 1 6 . 1 1 551 551 GLN CB C 551 29.046 29.046 29.289 -0.243 19052 1672 1 6 . 1 1 551 551 GLN H H 551 8.336 8.336 7.725 0.611 19052 1673 1 6 . 1 1 552 552 ASP N N 552 119.497 119.497 118.603 0.894 19052 1674 1 6 . 1 1 552 552 ASP HA H 552 4.434 4.434 4.702 -0.268 19052 1675 1 6 . 1 1 552 552 ASP C C 552 173.446 173.446 176.668 -3.222 19052 1676 1 6 . 1 1 552 552 ASP CA C 552 55.146 55.146 54.271 0.875 19052 1677 1 6 . 1 1 552 552 ASP CB C 552 41.174 41.174 42.763 -1.589 19052 1678 1 6 . 1 1 552 552 ASP H H 552 8.192 8.192 8.517 -0.325 19052 1679 1 6 . 1 1 553 553 GLY N N 553 107.920 107.920 107.626 0.294 19052 1680 1 6 . 1 1 553 553 GLY C C 553 175.627 175.627 174.514 1.113 19052 1681 1 6 . 1 1 553 553 GLY CA C 553 45.791 45.791 45.102 0.689 19052 1682 1 6 . 1 1 553 553 GLY H H 553 8.114 8.114 7.929 0.185 19052 1683 1 6 . 1 1 554 554 LEU N N 554 121.436 121.436 118.819 2.617 19052 1684 1 6 . 1 1 554 554 LEU HA H 554 4.150 4.150 4.012 0.138 19052 1685 1 6 . 1 1 554 554 LEU C C 554 172.742 172.742 177.106 -4.364 19052 1686 1 6 . 1 1 554 554 LEU CA C 554 56.520 56.520 57.202 -0.682 19052 1687 1 6 . 1 1 554 554 LEU CB C 554 42.857 42.857 41.590 1.267 19052 1688 1 6 . 1 1 554 554 LEU H H 554 8.055 8.055 7.697 0.358 19052 1689 1 6 . 1 1 555 555 ILE N N 555 117.147 117.147 114.699 2.448 19052 1690 1 6 . 1 1 555 555 ILE HA H 555 3.947 3.947 3.943 0.004 19052 1691 1 6 . 1 1 555 555 ILE C C 555 174.354 174.354 177.270 -2.916 19052 1692 1 6 . 1 1 555 555 ILE CA C 555 62.214 62.214 61.147 1.067 19052 1693 1 6 . 1 1 555 555 ILE CB C 555 38.447 38.447 35.783 2.663 19052 1694 1 6 . 1 1 555 555 ILE H H 555 7.946 7.946 7.812 0.134 19052 1695 1 6 . 1 1 556 556 CYS N N 556 119.354 119.354 124.676 -5.322 19052 1696 1 6 . 1 1 556 556 CYS HA H 556 4.439 4.439 4.316 0.123 19052 1697 1 6 . 1 1 556 556 CYS C C 556 174.864 174.864 176.360 -1.496 19052 1698 1 6 . 1 1 556 556 CYS CA C 556 55.915 55.915 59.994 -4.079 19052 1699 1 6 . 1 1 556 556 CYS CB C 556 40.902 40.902 27.750 13.152 19052 1700 1 6 . 1 1 556 556 CYS H H 556 8.193 8.193 9.068 -0.875 19052 1701 1 6 . 1 1 557 557 GLY N N 557 108.370 108.370 107.526 0.844 19052 1702 1 6 . 1 1 557 557 GLY C C 557 176.365 176.365 174.401 1.964 19052 1703 1 6 . 1 1 557 557 GLY CA C 557 45.923 45.923 46.365 -0.443 19052 1704 1 6 . 1 1 557 557 GLY H H 557 8.112 8.112 8.506 -0.394 19052 1705 1 6 . 1 1 558 558 LEU N N 558 120.302 120.302 113.996 6.306 19052 1706 1 6 . 1 1 558 558 LEU HA H 558 4.209 4.209 4.596 -0.387 19052 1707 1 6 . 1 1 558 558 LEU C C 558 173.387 173.387 174.908 -1.521 19052 1708 1 6 . 1 1 558 558 LEU CA C 558 55.568 55.568 55.197 0.371 19052 1709 1 6 . 1 1 558 558 LEU CB C 558 42.943 42.943 43.479 -0.536 19052 1710 1 6 . 1 1 558 558 LEU H H 558 7.816 7.816 7.901 -0.085 19052 1711 1 6 . 1 1 559 559 ARG N N 559 119.826 119.826 116.813 3.013 19052 1712 1 6 . 1 1 559 559 ARG HA H 559 4.246 4.246 4.347 -0.101 19052 1713 1 6 . 1 1 559 559 ARG C C 559 175.047 175.047 173.953 1.094 19052 1714 1 6 . 1 1 559 559 ARG CA C 559 55.858 55.858 55.899 -0.041 19052 1715 1 6 . 1 1 559 559 ARG CB C 559 30.806 30.806 29.720 1.086 19052 1716 1 6 . 1 1 559 559 ARG H H 559 7.996 7.996 7.904 0.092 19052 1717 1 7 . 1 1 508 508 GLN N N 508 120.688 120.688 120.766 -0.078 19052 1718 1 7 . 1 1 508 508 GLN HA H 508 4.590 4.590 4.657 -0.067 19052 1719 1 7 . 1 1 508 508 GLN CA C 508 53.781 53.781 53.581 0.200 19052 1720 1 7 . 1 1 508 508 GLN CB C 508 29.074 29.074 29.215 -0.141 19052 1721 1 7 . 1 1 508 508 GLN H H 508 8.558 8.558 8.234 0.324 19052 1722 1 7 . 1 1 509 509 PRO HA H 509 4.322 4.322 4.424 -0.102 19052 1723 1 7 . 1 1 509 509 PRO C C 509 173.716 173.716 176.086 -2.370 19052 1724 1 7 . 1 1 509 509 PRO CA C 509 63.284 63.284 62.568 0.716 19052 1725 1 7 . 1 1 509 509 PRO CB C 509 32.273 32.273 31.931 0.342 19052 1726 1 7 . 1 1 510 510 LYS N N 510 121.212 121.212 117.624 3.588 19052 1727 1 7 . 1 1 510 510 LYS HA H 510 4.205 4.205 4.069 0.136 19052 1728 1 7 . 1 1 510 510 LYS C C 510 173.988 173.988 175.420 -1.432 19052 1729 1 7 . 1 1 510 510 LYS CA C 510 56.301 56.301 57.299 -0.998 19052 1730 1 7 . 1 1 510 510 LYS CB C 510 33.419 33.419 30.354 3.065 19052 1731 1 7 . 1 1 510 510 LYS H H 510 8.322 8.322 8.199 0.123 19052 1732 1 7 . 1 1 511 511 CYS N N 511 119.342 119.342 113.679 5.663 19052 1733 1 7 . 1 1 511 511 CYS HA H 511 4.558 4.558 4.529 0.029 19052 1734 1 7 . 1 1 511 511 CYS C C 511 176.901 176.901 173.756 3.145 19052 1735 1 7 . 1 1 511 511 CYS CA C 511 55.516 55.516 57.232 -1.716 19052 1736 1 7 . 1 1 511 511 CYS CB C 511 41.836 41.836 27.268 14.568 19052 1737 1 7 . 1 1 511 511 CYS H H 511 8.269 8.269 8.196 0.073 19052 1738 1 7 . 1 1 512 512 ASN N N 512 122.311 122.311 120.690 1.621 19052 1739 1 7 . 1 1 512 512 ASN HA H 512 4.890 4.890 5.063 -0.173 19052 1740 1 7 . 1 1 512 512 ASN CA C 512 51.259 51.259 51.372 -0.113 19052 1741 1 7 . 1 1 512 512 ASN CB C 512 39.388 39.388 38.563 0.825 19052 1742 1 7 . 1 1 512 512 ASN H H 512 8.605 8.605 8.090 0.515 19052 1743 1 7 . 1 1 513 513 PRO HA H 513 4.295 4.295 4.400 -0.105 19052 1744 1 7 . 1 1 513 513 PRO C C 513 173.951 173.951 176.312 -2.361 19052 1745 1 7 . 1 1 513 513 PRO CA C 513 63.657 63.657 64.180 -0.523 19052 1746 1 7 . 1 1 513 513 PRO CB C 513 32.188 32.188 32.345 -0.157 19052 1747 1 7 . 1 1 514 514 ASN N N 514 117.512 117.512 114.447 3.065 19052 1748 1 7 . 1 1 514 514 ASN HA H 514 4.539 4.539 4.784 -0.245 19052 1749 1 7 . 1 1 514 514 ASN C C 514 175.348 175.348 174.400 0.948 19052 1750 1 7 . 1 1 514 514 ASN CA C 514 53.557 53.557 52.849 0.708 19052 1751 1 7 . 1 1 514 514 ASN CB C 514 39.195 39.195 41.075 -1.880 19052 1752 1 7 . 1 1 514 514 ASN H H 514 8.288 8.288 8.326 -0.038 19052 1753 1 7 . 1 1 515 515 LEU N N 515 121.066 121.066 115.575 5.491 19052 1754 1 7 . 1 1 515 515 LEU HA H 515 4.157 4.157 3.879 0.278 19052 1755 1 7 . 1 1 515 515 LEU C C 515 173.686 173.686 175.349 -1.663 19052 1756 1 7 . 1 1 515 515 LEU CA C 515 55.344 55.344 55.733 -0.389 19052 1757 1 7 . 1 1 515 515 LEU CB C 515 42.525 42.525 39.837 2.688 19052 1758 1 7 . 1 1 515 515 LEU H H 515 7.773 7.773 8.450 -0.677 19052 1759 1 7 . 1 1 516 516 HIS N N 516 117.512 117.512 116.595 0.917 19052 1760 1 7 . 1 1 516 516 HIS HA H 516 4.438 4.438 4.590 -0.152 19052 1761 1 7 . 1 1 516 516 HIS C C 516 175.736 175.736 175.590 0.146 19052 1762 1 7 . 1 1 516 516 HIS CA C 516 55.806 55.806 56.636 -0.830 19052 1763 1 7 . 1 1 516 516 HIS CB C 516 28.903 28.903 30.297 -1.394 19052 1764 1 7 . 1 1 516 516 HIS H H 516 8.109 8.109 8.575 -0.466 19052 1765 1 7 . 1 1 517 517 TYR N N 517 120.068 120.068 116.596 3.472 19052 1766 1 7 . 1 1 517 517 TYR HA H 517 4.206 4.206 4.562 -0.356 19052 1767 1 7 . 1 1 517 517 TYR C C 517 174.847 174.847 175.125 -0.278 19052 1768 1 7 . 1 1 517 517 TYR CA C 517 59.252 59.252 57.042 2.210 19052 1769 1 7 . 1 1 517 517 TYR CB C 517 39.066 39.066 37.974 1.092 19052 1770 1 7 . 1 1 517 517 TYR H H 517 8.070 8.070 7.514 0.556 19052 1771 1 7 . 1 1 518 518 TRP N N 518 118.503 118.503 122.416 -3.913 19052 1772 1 7 . 1 1 518 518 TRP HA H 518 4.549 4.549 4.750 -0.201 19052 1773 1 7 . 1 1 518 518 TRP C C 518 174.443 174.443 176.444 -2.001 19052 1774 1 7 . 1 1 518 518 TRP CA C 518 57.822 57.822 56.045 1.777 19052 1775 1 7 . 1 1 518 518 TRP CB C 518 29.912 29.912 31.457 -1.545 19052 1776 1 7 . 1 1 518 518 TRP H H 518 7.641 7.641 7.220 0.421 19052 1777 1 7 . 1 1 519 519 THR N N 519 112.242 112.242 119.500 -7.258 19052 1778 1 7 . 1 1 519 519 THR HA H 519 4.340 4.340 3.791 0.549 19052 1779 1 7 . 1 1 519 519 THR C C 519 175.579 175.579 174.568 1.011 19052 1780 1 7 . 1 1 519 519 THR CA C 519 61.791 61.791 65.421 -3.630 19052 1781 1 7 . 1 1 519 519 THR CB C 519 70.049 70.049 68.765 1.284 19052 1782 1 7 . 1 1 519 519 THR H H 519 7.887 7.887 8.283 -0.396 19052 1783 1 7 . 1 1 520 520 THR N N 520 114.383 114.383 109.361 5.022 19052 1784 1 7 . 1 1 520 520 THR HA H 520 4.245 4.245 4.297 -0.052 19052 1785 1 7 . 1 1 520 520 THR C C 520 175.402 175.402 172.694 2.708 19052 1786 1 7 . 1 1 520 520 THR CA C 520 62.140 62.140 62.764 -0.624 19052 1787 1 7 . 1 1 520 520 THR CB C 520 69.994 69.994 69.237 0.756 19052 1788 1 7 . 1 1 520 520 THR H H 520 7.936 7.936 7.535 0.401 19052 1789 1 7 . 1 1 521 521 GLN N N 521 121.482 121.482 121.987 -0.505 19052 1790 1 7 . 1 1 521 521 GLN HA H 521 4.167 4.167 4.196 -0.029 19052 1791 1 7 . 1 1 521 521 GLN C C 521 174.280 174.280 175.321 -1.041 19052 1792 1 7 . 1 1 521 521 GLN CA C 521 56.569 56.569 56.682 -0.113 19052 1793 1 7 . 1 1 521 521 GLN CB C 521 29.357 29.357 29.703 -0.346 19052 1794 1 7 . 1 1 521 521 GLN H H 521 8.238 8.238 8.139 0.099 19052 1795 1 7 . 1 1 522 522 ASP N N 522 120.331 120.331 119.954 0.377 19052 1796 1 7 . 1 1 522 522 ASP HA H 522 4.436 4.436 4.353 0.083 19052 1797 1 7 . 1 1 522 522 ASP C C 522 173.622 173.622 176.376 -2.754 19052 1798 1 7 . 1 1 522 522 ASP CA C 522 55.067 55.067 54.716 0.351 19052 1799 1 7 . 1 1 522 522 ASP CB C 522 41.079 41.079 39.469 1.610 19052 1800 1 7 . 1 1 522 522 ASP H H 522 8.151 8.151 8.637 -0.486 19052 1801 1 7 . 1 1 523 523 GLU N N 523 120.580 120.580 121.907 -1.327 19052 1802 1 7 . 1 1 523 523 GLU HA H 523 4.086 4.086 4.030 0.056 19052 1803 1 7 . 1 1 523 523 GLU C C 523 173.037 173.037 175.895 -2.858 19052 1804 1 7 . 1 1 523 523 GLU CA C 523 57.580 57.580 54.978 2.602 19052 1805 1 7 . 1 1 523 523 GLU CB C 523 29.542 29.542 27.100 2.442 19052 1806 1 7 . 1 1 523 523 GLU H H 523 8.261 8.261 8.140 0.121 19052 1807 1 7 . 1 1 524 524 GLY N N 524 108.383 108.383 107.231 1.152 19052 1808 1 7 . 1 1 524 524 GLY C C 524 175.981 175.981 174.290 1.691 19052 1809 1 7 . 1 1 524 524 GLY CA C 524 45.936 45.936 45.016 0.920 19052 1810 1 7 . 1 1 524 524 GLY H H 524 8.287 8.287 7.689 0.598 19052 1811 1 7 . 1 1 525 525 ALA N N 525 122.951 122.951 124.257 -1.306 19052 1812 1 7 . 1 1 525 525 ALA HA H 525 4.150 4.150 4.264 -0.114 19052 1813 1 7 . 1 1 525 525 ALA C C 525 172.507 172.507 177.688 -5.181 19052 1814 1 7 . 1 1 525 525 ALA CA C 525 53.068 53.068 51.445 1.623 19052 1815 1 7 . 1 1 525 525 ALA CB C 525 19.406 19.406 16.833 2.573 19052 1816 1 7 . 1 1 525 525 ALA H H 525 7.846 7.846 8.028 -0.182 19052 1817 1 7 . 1 1 526 526 ALA N N 526 122.022 122.022 121.717 0.305 19052 1818 1 7 . 1 1 526 526 ALA HA H 526 4.181 4.181 3.870 0.311 19052 1819 1 7 . 1 1 526 526 ALA C C 526 172.070 172.070 176.284 -4.214 19052 1820 1 7 . 1 1 526 526 ALA CA C 526 53.158 53.158 52.914 0.244 19052 1821 1 7 . 1 1 526 526 ALA CB C 526 19.271 19.271 17.735 1.536 19052 1822 1 7 . 1 1 526 526 ALA H H 526 8.014 8.014 8.556 -0.542 19052 1823 1 7 . 1 1 527 527 ILE N N 527 118.520 118.520 118.552 -0.032 19052 1824 1 7 . 1 1 527 527 ILE HA H 527 3.887 3.887 4.015 -0.128 19052 1825 1 7 . 1 1 527 527 ILE C C 527 173.664 173.664 175.843 -2.179 19052 1826 1 7 . 1 1 527 527 ILE CA C 527 62.221 62.221 62.182 0.039 19052 1827 1 7 . 1 1 527 527 ILE CB C 527 38.735 38.735 38.403 0.333 19052 1828 1 7 . 1 1 527 527 ILE H H 527 7.907 7.907 7.904 0.003 19052 1829 1 7 . 1 1 528 528 GLY N N 528 109.901 109.901 109.695 0.206 19052 1830 1 7 . 1 1 528 528 GLY C C 528 175.853 175.853 174.837 1.016 19052 1831 1 7 . 1 1 528 528 GLY CA C 528 46.143 46.143 45.844 0.299 19052 1832 1 7 . 1 1 528 528 GLY H H 528 8.251 8.251 8.490 -0.239 19052 1833 1 7 . 1 1 529 529 ALA N N 529 122.244 122.244 121.048 1.196 19052 1834 1 7 . 1 1 529 529 ALA HA H 529 3.997 3.997 3.883 0.114 19052 1835 1 7 . 1 1 529 529 ALA C C 529 171.603 171.603 176.458 -4.855 19052 1836 1 7 . 1 1 529 529 ALA CA C 529 54.036 54.036 53.034 1.002 19052 1837 1 7 . 1 1 529 529 ALA CB C 529 19.173 19.173 17.564 1.609 19052 1838 1 7 . 1 1 529 529 ALA H H 529 7.968 7.968 7.395 0.573 19052 1839 1 7 . 1 1 530 530 ALA N N 530 119.150 119.150 118.155 0.995 19052 1840 1 7 . 1 1 530 530 ALA HA H 530 4.055 4.055 3.739 0.316 19052 1841 1 7 . 1 1 530 530 ALA C C 530 172.413 172.413 175.913 -3.500 19052 1842 1 7 . 1 1 530 530 ALA CA C 530 53.591 53.591 51.415 2.176 19052 1843 1 7 . 1 1 530 530 ALA CB C 530 19.102 19.102 18.675 0.427 19052 1844 1 7 . 1 1 530 530 ALA H H 530 8.161 8.161 7.531 0.630 19052 1845 1 7 . 1 1 531 531 TRP N N 531 115.703 115.703 115.661 0.042 19052 1846 1 7 . 1 1 531 531 TRP HA H 531 4.525 4.525 4.223 0.302 19052 1847 1 7 . 1 1 531 531 TRP C C 531 173.708 173.708 174.847 -1.139 19052 1848 1 7 . 1 1 531 531 TRP CA C 531 57.449 57.449 56.871 0.578 19052 1849 1 7 . 1 1 531 531 TRP CB C 531 30.079 30.079 26.282 3.797 19052 1850 1 7 . 1 1 531 531 TRP H H 531 7.758 7.758 7.960 -0.202 19052 1851 1 7 . 1 1 532 532 ILE N N 532 120.648 120.648 118.154 2.494 19052 1852 1 7 . 1 1 532 532 ILE HA H 532 3.814 3.814 4.386 -0.572 19052 1853 1 7 . 1 1 532 532 ILE CA C 532 63.978 63.978 58.487 5.491 19052 1854 1 7 . 1 1 532 532 ILE CB C 532 37.291 37.291 38.304 -1.013 19052 1855 1 7 . 1 1 532 532 ILE H H 532 7.515 7.515 7.877 -0.362 19052 1856 1 7 . 1 1 533 533 PRO HA H 533 4.199 4.199 4.164 0.035 19052 1857 1 7 . 1 1 533 533 PRO C C 533 173.380 173.380 176.928 -3.548 19052 1858 1 7 . 1 1 533 533 PRO CA C 533 64.877 64.877 65.109 -0.232 19052 1859 1 7 . 1 1 533 533 PRO CB C 533 31.795 31.795 31.033 0.762 19052 1860 1 7 . 1 1 534 534 TYR N N 534 114.701 114.701 117.352 -2.651 19052 1861 1 7 . 1 1 534 534 TYR HA H 534 4.127 4.127 4.200 -0.073 19052 1862 1 7 . 1 1 534 534 TYR C C 534 174.356 174.356 176.952 -2.596 19052 1863 1 7 . 1 1 534 534 TYR CA C 534 60.153 60.153 59.848 0.305 19052 1864 1 7 . 1 1 534 534 TYR CB C 534 38.665 38.665 37.915 0.750 19052 1865 1 7 . 1 1 534 534 TYR H H 534 7.558 7.558 7.962 -0.404 19052 1866 1 7 . 1 1 535 535 PHE N N 535 116.978 116.978 112.614 4.364 19052 1867 1 7 . 1 1 535 535 PHE HA H 535 4.381 4.381 4.947 -0.566 19052 1868 1 7 . 1 1 535 535 PHE C C 535 174.160 174.160 176.208 -2.048 19052 1869 1 7 . 1 1 535 535 PHE CA C 535 59.095 59.095 55.755 3.340 19052 1870 1 7 . 1 1 535 535 PHE CB C 535 40.607 40.607 38.856 1.751 19052 1871 1 7 . 1 1 535 535 PHE H H 535 8.003 8.003 6.912 1.091 19052 1872 1 7 . 1 1 536 536 GLY N N 536 107.091 107.091 112.139 -5.048 19052 1873 1 7 . 1 1 536 536 GLY CA C 536 47.335 47.335 46.651 0.684 19052 1874 1 7 . 1 1 536 536 GLY H H 536 8.130 8.130 8.731 -0.601 19052 1875 1 7 . 1 1 537 537 PRO HA H 537 4.244 4.244 4.358 -0.114 19052 1876 1 7 . 1 1 537 537 PRO C C 537 171.319 171.319 175.621 -4.302 19052 1877 1 7 . 1 1 537 537 PRO CA C 537 65.023 65.023 63.474 1.549 19052 1878 1 7 . 1 1 537 537 PRO CB C 537 31.842 31.842 30.504 1.338 19052 1879 1 7 . 1 1 538 538 ALA N N 538 120.335 120.335 120.953 -0.618 19052 1880 1 7 . 1 1 538 538 ALA HA H 538 4.104 4.104 4.709 -0.605 19052 1881 1 7 . 1 1 538 538 ALA C C 538 171.431 171.431 175.994 -4.563 19052 1882 1 7 . 1 1 538 538 ALA CA C 538 54.534 54.534 52.399 2.135 19052 1883 1 7 . 1 1 538 538 ALA CB C 538 18.866 18.866 21.019 -2.153 19052 1884 1 7 . 1 1 538 538 ALA H H 538 7.913 7.913 8.176 -0.263 19052 1885 1 7 . 1 1 539 539 ALA N N 539 120.016 120.016 119.264 0.752 19052 1886 1 7 . 1 1 539 539 ALA HA H 539 3.916 3.916 4.817 -0.901 19052 1887 1 7 . 1 1 539 539 ALA C C 539 171.593 171.593 176.857 -5.264 19052 1888 1 7 . 1 1 539 539 ALA CA C 539 54.669 54.669 52.797 1.871 19052 1889 1 7 . 1 1 539 539 ALA CB C 539 18.929 18.929 20.265 -1.336 19052 1890 1 7 . 1 1 539 539 ALA H H 539 8.105 8.105 7.503 0.602 19052 1891 1 7 . 1 1 540 540 GLU N N 540 116.288 116.288 120.900 -4.612 19052 1892 1 7 . 1 1 540 540 GLU HA H 540 3.922 3.922 4.295 -0.373 19052 1893 1 7 . 1 1 540 540 GLU C C 540 171.649 171.649 177.078 -5.429 19052 1894 1 7 . 1 1 540 540 GLU CA C 540 59.055 59.055 56.104 2.951 19052 1895 1 7 . 1 1 540 540 GLU CB C 540 29.335 29.335 27.366 1.969 19052 1896 1 7 . 1 1 540 540 GLU H H 540 8.081 8.081 8.432 -0.351 19052 1897 1 7 . 1 1 541 541 GLY N N 541 107.262 107.262 109.067 -1.805 19052 1898 1 7 . 1 1 541 541 GLY C C 541 174.868 174.868 174.854 0.014 19052 1899 1 7 . 1 1 541 541 GLY CA C 541 46.506 46.506 45.772 0.734 19052 1900 1 7 . 1 1 541 541 GLY H H 541 8.063 8.063 8.979 -0.916 19052 1901 1 7 . 1 1 542 542 ILE N N 542 120.614 120.614 121.295 -0.681 19052 1902 1 7 . 1 1 542 542 ILE HA H 542 3.760 3.760 3.762 -0.002 19052 1903 1 7 . 1 1 542 542 ILE C C 542 173.000 173.000 176.847 -3.847 19052 1904 1 7 . 1 1 542 542 ILE CA C 542 64.103 64.103 64.058 0.045 19052 1905 1 7 . 1 1 542 542 ILE CB C 542 38.394 38.394 38.264 0.130 19052 1906 1 7 . 1 1 542 542 ILE H H 542 7.843 7.843 8.167 -0.324 19052 1907 1 7 . 1 1 543 543 TYR N N 543 120.210 120.210 118.325 1.885 19052 1908 1 7 . 1 1 543 543 TYR HA H 543 4.178 4.178 4.060 0.118 19052 1909 1 7 . 1 1 543 543 TYR C C 543 173.268 173.268 176.733 -3.465 19052 1910 1 7 . 1 1 543 543 TYR CA C 543 60.547 60.547 60.111 0.436 19052 1911 1 7 . 1 1 543 543 TYR CB C 543 38.923 38.923 36.218 2.704 19052 1912 1 7 . 1 1 543 543 TYR H H 543 8.027 8.027 8.668 -0.641 19052 1913 1 7 . 1 1 544 544 ALA N N 544 121.025 121.025 120.487 0.538 19052 1914 1 7 . 1 1 544 544 ALA HA H 544 3.953 3.953 3.513 0.440 19052 1915 1 7 . 1 1 544 544 ALA C C 544 171.072 171.072 179.061 -7.989 19052 1916 1 7 . 1 1 544 544 ALA CA C 544 54.440 54.440 53.895 0.545 19052 1917 1 7 . 1 1 544 544 ALA CB C 544 19.028 19.028 17.760 1.268 19052 1918 1 7 . 1 1 544 544 ALA H H 544 8.079 8.079 7.495 0.584 19052 1919 1 7 . 1 1 545 545 GLU N N 545 116.132 116.132 118.107 -1.975 19052 1920 1 7 . 1 1 545 545 GLU HA H 545 4.096 4.096 4.089 0.007 19052 1921 1 7 . 1 1 545 545 GLU C C 545 172.525 172.525 178.480 -5.955 19052 1922 1 7 . 1 1 545 545 GLU CA C 545 57.355 57.355 57.395 -0.040 19052 1923 1 7 . 1 1 545 545 GLU CB C 545 29.517 29.517 30.044 -0.527 19052 1924 1 7 . 1 1 545 545 GLU H H 545 7.880 7.880 8.099 -0.219 19052 1925 1 7 . 1 1 546 546 GLY N N 546 107.283 107.283 107.823 -0.540 19052 1926 1 7 . 1 1 546 546 GLY C C 546 175.638 175.638 174.921 0.717 19052 1927 1 7 . 1 1 546 546 GLY CA C 546 46.241 46.241 46.579 -0.338 19052 1928 1 7 . 1 1 546 546 GLY H H 546 8.028 8.028 8.175 -0.147 19052 1929 1 7 . 1 1 547 547 LEU N N 547 119.944 119.944 113.340 6.604 19052 1930 1 7 . 1 1 547 547 LEU HA H 547 4.127 4.127 4.514 -0.387 19052 1931 1 7 . 1 1 547 547 LEU C C 547 172.747 172.747 176.927 -4.180 19052 1932 1 7 . 1 1 547 547 LEU CA C 547 56.418 56.418 55.648 0.770 19052 1933 1 7 . 1 1 547 547 LEU CB C 547 42.717 42.717 42.106 0.611 19052 1934 1 7 . 1 1 547 547 LEU H H 547 7.865 7.865 7.854 0.011 19052 1935 1 7 . 1 1 548 548 MET N N 548 115.796 115.796 111.296 4.500 19052 1936 1 7 . 1 1 548 548 MET HA H 548 4.231 4.231 4.499 -0.268 19052 1937 1 7 . 1 1 548 548 MET C C 548 173.854 173.854 177.157 -3.303 19052 1938 1 7 . 1 1 548 548 MET CA C 548 55.914 55.914 57.038 -1.124 19052 1939 1 7 . 1 1 548 548 MET CB C 548 32.474 32.474 32.440 0.034 19052 1940 1 7 . 1 1 548 548 MET H H 548 7.958 7.958 7.747 0.211 19052 1941 1 7 . 1 1 549 549 HIS N N 549 116.928 116.928 120.904 -3.976 19052 1942 1 7 . 1 1 549 549 HIS HA H 549 4.572 4.572 4.572 -0.000 19052 1943 1 7 . 1 1 549 549 HIS C C 549 175.817 175.817 175.991 -0.174 19052 1944 1 7 . 1 1 549 549 HIS CA C 549 55.746 55.746 59.172 -3.426 19052 1945 1 7 . 1 1 549 549 HIS CB C 549 28.918 28.918 29.330 -0.412 19052 1946 1 7 . 1 1 549 549 HIS H H 549 8.059 8.059 8.802 -0.743 19052 1947 1 7 . 1 1 550 550 ASN N N 550 118.413 118.413 114.191 4.222 19052 1948 1 7 . 1 1 550 550 ASN HA H 550 4.554 4.554 4.623 -0.069 19052 1949 1 7 . 1 1 550 550 ASN C C 550 174.738 174.738 175.739 -1.001 19052 1950 1 7 . 1 1 550 550 ASN CA C 550 53.874 53.874 53.497 0.377 19052 1951 1 7 . 1 1 550 550 ASN CB C 550 38.883 38.883 37.217 1.666 19052 1952 1 7 . 1 1 550 550 ASN H H 550 8.222 8.222 8.649 -0.427 19052 1953 1 7 . 1 1 551 551 GLN N N 551 119.844 119.844 119.659 0.185 19052 1954 1 7 . 1 1 551 551 GLN HA H 551 4.217 4.217 4.164 0.053 19052 1955 1 7 . 1 1 551 551 GLN C C 551 173.745 173.745 175.768 -2.023 19052 1956 1 7 . 1 1 551 551 GLN CA C 551 56.477 56.477 56.727 -0.250 19052 1957 1 7 . 1 1 551 551 GLN CB C 551 29.046 29.046 29.029 0.017 19052 1958 1 7 . 1 1 551 551 GLN H H 551 8.336 8.336 7.549 0.787 19052 1959 1 7 . 1 1 552 552 ASP N N 552 119.497 119.497 117.613 1.884 19052 1960 1 7 . 1 1 552 552 ASP HA H 552 4.434 4.434 4.664 -0.230 19052 1961 1 7 . 1 1 552 552 ASP C C 552 173.446 173.446 176.303 -2.857 19052 1962 1 7 . 1 1 552 552 ASP CA C 552 55.146 55.146 53.742 1.404 19052 1963 1 7 . 1 1 552 552 ASP CB C 552 41.174 41.174 42.452 -1.278 19052 1964 1 7 . 1 1 552 552 ASP H H 552 8.192 8.192 8.501 -0.309 19052 1965 1 7 . 1 1 553 553 GLY N N 553 107.920 107.920 108.233 -0.313 19052 1966 1 7 . 1 1 553 553 GLY C C 553 175.627 175.627 175.286 0.341 19052 1967 1 7 . 1 1 553 553 GLY CA C 553 45.791 45.791 45.021 0.770 19052 1968 1 7 . 1 1 553 553 GLY H H 553 8.114 8.114 7.833 0.281 19052 1969 1 7 . 1 1 554 554 LEU N N 554 121.436 121.436 117.612 3.824 19052 1970 1 7 . 1 1 554 554 LEU HA H 554 4.150 4.150 4.070 0.080 19052 1971 1 7 . 1 1 554 554 LEU C C 554 172.742 172.742 177.377 -4.635 19052 1972 1 7 . 1 1 554 554 LEU CA C 554 56.520 56.520 56.333 0.187 19052 1973 1 7 . 1 1 554 554 LEU CB C 554 42.857 42.857 42.005 0.852 19052 1974 1 7 . 1 1 554 554 LEU H H 554 8.055 8.055 7.779 0.276 19052 1975 1 7 . 1 1 555 555 ILE N N 555 117.147 117.147 115.076 2.071 19052 1976 1 7 . 1 1 555 555 ILE HA H 555 3.947 3.947 3.731 0.216 19052 1977 1 7 . 1 1 555 555 ILE C C 555 174.354 174.354 176.748 -2.394 19052 1978 1 7 . 1 1 555 555 ILE CA C 555 62.214 62.214 60.586 1.628 19052 1979 1 7 . 1 1 555 555 ILE CB C 555 38.447 38.447 35.904 2.543 19052 1980 1 7 . 1 1 555 555 ILE H H 555 7.946 7.946 7.890 0.056 19052 1981 1 7 . 1 1 556 556 CYS N N 556 119.354 119.354 124.665 -5.311 19052 1982 1 7 . 1 1 556 556 CYS HA H 556 4.439 4.439 4.265 0.174 19052 1983 1 7 . 1 1 556 556 CYS C C 556 174.864 174.864 176.121 -1.257 19052 1984 1 7 . 1 1 556 556 CYS CA C 556 55.915 55.915 60.713 -4.798 19052 1985 1 7 . 1 1 556 556 CYS CB C 556 40.902 40.902 27.798 13.104 19052 1986 1 7 . 1 1 556 556 CYS H H 556 8.193 8.193 8.900 -0.707 19052 1987 1 7 . 1 1 557 557 GLY N N 557 108.370 108.370 107.152 1.218 19052 1988 1 7 . 1 1 557 557 GLY C C 557 176.365 176.365 173.988 2.377 19052 1989 1 7 . 1 1 557 557 GLY CA C 557 45.923 45.923 45.517 0.406 19052 1990 1 7 . 1 1 557 557 GLY H H 557 8.112 8.112 8.385 -0.273 19052 1991 1 7 . 1 1 558 558 LEU N N 558 120.302 120.302 116.018 4.284 19052 1992 1 7 . 1 1 558 558 LEU HA H 558 4.209 4.209 4.492 -0.283 19052 1993 1 7 . 1 1 558 558 LEU C C 558 173.387 173.387 175.056 -1.669 19052 1994 1 7 . 1 1 558 558 LEU CA C 558 55.568 55.568 54.894 0.674 19052 1995 1 7 . 1 1 558 558 LEU CB C 558 42.943 42.943 42.085 0.858 19052 1996 1 7 . 1 1 558 558 LEU H H 558 7.816 7.816 7.717 0.099 19052 1997 1 7 . 1 1 559 559 ARG N N 559 119.826 119.826 116.992 2.834 19052 1998 1 7 . 1 1 559 559 ARG HA H 559 4.246 4.246 4.042 0.204 19052 1999 1 7 . 1 1 559 559 ARG C C 559 175.047 175.047 175.054 -0.007 19052 2000 1 7 . 1 1 559 559 ARG CA C 559 55.858 55.858 57.155 -1.297 19052 2001 1 7 . 1 1 559 559 ARG CB C 559 30.806 30.806 29.280 1.526 19052 2002 1 7 . 1 1 559 559 ARG H H 559 7.996 7.996 8.214 -0.218 19052 2003 1 8 . 1 1 508 508 GLN N N 508 120.688 120.688 122.790 -2.102 19052 2004 1 8 . 1 1 508 508 GLN HA H 508 4.590 4.590 4.612 -0.022 19052 2005 1 8 . 1 1 508 508 GLN CA C 508 53.781 53.781 54.285 -0.504 19052 2006 1 8 . 1 1 508 508 GLN CB C 508 29.074 29.074 29.862 -0.788 19052 2007 1 8 . 1 1 508 508 GLN H H 508 8.558 8.558 8.317 0.241 19052 2008 1 8 . 1 1 509 509 PRO HA H 509 4.322 4.322 4.495 -0.173 19052 2009 1 8 . 1 1 509 509 PRO C C 509 173.716 173.716 175.829 -2.113 19052 2010 1 8 . 1 1 509 509 PRO CA C 509 63.284 63.284 62.848 0.436 19052 2011 1 8 . 1 1 509 509 PRO CB C 509 32.273 32.273 32.008 0.265 19052 2012 1 8 . 1 1 510 510 LYS N N 510 121.212 121.212 117.820 3.392 19052 2013 1 8 . 1 1 510 510 LYS HA H 510 4.205 4.205 4.120 0.085 19052 2014 1 8 . 1 1 510 510 LYS C C 510 173.988 173.988 175.475 -1.487 19052 2015 1 8 . 1 1 510 510 LYS CA C 510 56.301 56.301 56.959 -0.658 19052 2016 1 8 . 1 1 510 510 LYS CB C 510 33.419 33.419 30.931 2.488 19052 2017 1 8 . 1 1 510 510 LYS H H 510 8.322 8.322 8.155 0.167 19052 2018 1 8 . 1 1 511 511 CYS N N 511 119.342 119.342 113.209 6.133 19052 2019 1 8 . 1 1 511 511 CYS HA H 511 4.558 4.558 4.566 -0.008 19052 2020 1 8 . 1 1 511 511 CYS C C 511 176.901 176.901 173.168 3.733 19052 2021 1 8 . 1 1 511 511 CYS CA C 511 55.516 55.516 57.748 -2.232 19052 2022 1 8 . 1 1 511 511 CYS CB C 511 41.836 41.836 27.457 14.379 19052 2023 1 8 . 1 1 511 511 CYS H H 511 8.269 8.269 8.228 0.041 19052 2024 1 8 . 1 1 512 512 ASN N N 512 122.311 122.311 120.338 1.973 19052 2025 1 8 . 1 1 512 512 ASN HA H 512 4.890 4.890 5.144 -0.254 19052 2026 1 8 . 1 1 512 512 ASN CA C 512 51.259 51.259 51.754 -0.495 19052 2027 1 8 . 1 1 512 512 ASN CB C 512 39.388 39.388 40.023 -0.635 19052 2028 1 8 . 1 1 512 512 ASN H H 512 8.605 8.605 8.105 0.500 19052 2029 1 8 . 1 1 513 513 PRO HA H 513 4.295 4.295 4.453 -0.158 19052 2030 1 8 . 1 1 513 513 PRO C C 513 173.951 173.951 176.164 -2.213 19052 2031 1 8 . 1 1 513 513 PRO CA C 513 63.657 63.657 63.734 -0.077 19052 2032 1 8 . 1 1 513 513 PRO CB C 513 32.188 32.188 32.261 -0.073 19052 2033 1 8 . 1 1 514 514 ASN N N 514 117.512 117.512 115.124 2.388 19052 2034 1 8 . 1 1 514 514 ASN HA H 514 4.539 4.539 4.656 -0.117 19052 2035 1 8 . 1 1 514 514 ASN C C 514 175.348 175.348 174.239 1.109 19052 2036 1 8 . 1 1 514 514 ASN CA C 514 53.557 53.557 52.850 0.707 19052 2037 1 8 . 1 1 514 514 ASN CB C 514 39.195 39.195 40.440 -1.245 19052 2038 1 8 . 1 1 514 514 ASN H H 514 8.288 8.288 7.885 0.403 19052 2039 1 8 . 1 1 515 515 LEU N N 515 121.066 121.066 116.142 4.924 19052 2040 1 8 . 1 1 515 515 LEU HA H 515 4.157 4.157 3.811 0.346 19052 2041 1 8 . 1 1 515 515 LEU C C 515 173.686 173.686 175.398 -1.712 19052 2042 1 8 . 1 1 515 515 LEU CA C 515 55.344 55.344 55.583 -0.239 19052 2043 1 8 . 1 1 515 515 LEU CB C 515 42.525 42.525 39.898 2.627 19052 2044 1 8 . 1 1 515 515 LEU H H 515 7.773 7.773 8.189 -0.416 19052 2045 1 8 . 1 1 516 516 HIS N N 516 117.512 117.512 115.044 2.468 19052 2046 1 8 . 1 1 516 516 HIS HA H 516 4.438 4.438 4.599 -0.161 19052 2047 1 8 . 1 1 516 516 HIS C C 516 175.736 175.736 175.704 0.032 19052 2048 1 8 . 1 1 516 516 HIS CA C 516 55.806 55.806 56.793 -0.987 19052 2049 1 8 . 1 1 516 516 HIS CB C 516 28.903 28.903 30.269 -1.366 19052 2050 1 8 . 1 1 516 516 HIS H H 516 8.109 8.109 8.401 -0.292 19052 2051 1 8 . 1 1 517 517 TYR N N 517 120.068 120.068 116.492 3.576 19052 2052 1 8 . 1 1 517 517 TYR HA H 517 4.206 4.206 4.453 -0.247 19052 2053 1 8 . 1 1 517 517 TYR C C 517 174.847 174.847 175.279 -0.432 19052 2054 1 8 . 1 1 517 517 TYR CA C 517 59.252 59.252 56.873 2.379 19052 2055 1 8 . 1 1 517 517 TYR CB C 517 39.066 39.066 37.303 1.763 19052 2056 1 8 . 1 1 517 517 TYR H H 517 8.070 8.070 7.559 0.511 19052 2057 1 8 . 1 1 518 518 TRP N N 518 118.503 118.503 122.093 -3.590 19052 2058 1 8 . 1 1 518 518 TRP HA H 518 4.549 4.549 4.861 -0.312 19052 2059 1 8 . 1 1 518 518 TRP C C 518 174.443 174.443 176.146 -1.703 19052 2060 1 8 . 1 1 518 518 TRP CA C 518 57.822 57.822 56.302 1.520 19052 2061 1 8 . 1 1 518 518 TRP CB C 518 29.912 29.912 32.022 -2.110 19052 2062 1 8 . 1 1 518 518 TRP H H 518 7.641 7.641 7.164 0.477 19052 2063 1 8 . 1 1 519 519 THR N N 519 112.242 112.242 119.781 -7.539 19052 2064 1 8 . 1 1 519 519 THR HA H 519 4.340 4.340 3.777 0.563 19052 2065 1 8 . 1 1 519 519 THR C C 519 175.579 175.579 174.555 1.024 19052 2066 1 8 . 1 1 519 519 THR CA C 519 61.791 61.791 65.449 -3.658 19052 2067 1 8 . 1 1 519 519 THR CB C 519 70.049 70.049 68.785 1.264 19052 2068 1 8 . 1 1 519 519 THR H H 519 7.887 7.887 8.358 -0.471 19052 2069 1 8 . 1 1 520 520 THR N N 520 114.383 114.383 109.588 4.795 19052 2070 1 8 . 1 1 520 520 THR HA H 520 4.245 4.245 4.309 -0.064 19052 2071 1 8 . 1 1 520 520 THR C C 520 175.402 175.402 172.527 2.875 19052 2072 1 8 . 1 1 520 520 THR CA C 520 62.140 62.140 62.858 -0.718 19052 2073 1 8 . 1 1 520 520 THR CB C 520 69.994 69.994 69.317 0.677 19052 2074 1 8 . 1 1 520 520 THR H H 520 7.936 7.936 7.540 0.396 19052 2075 1 8 . 1 1 521 521 GLN N N 521 121.482 121.482 121.701 -0.219 19052 2076 1 8 . 1 1 521 521 GLN HA H 521 4.167 4.167 4.200 -0.033 19052 2077 1 8 . 1 1 521 521 GLN C C 521 174.280 174.280 175.332 -1.052 19052 2078 1 8 . 1 1 521 521 GLN CA C 521 56.569 56.569 56.367 0.202 19052 2079 1 8 . 1 1 521 521 GLN CB C 521 29.357 29.357 29.338 0.019 19052 2080 1 8 . 1 1 521 521 GLN H H 521 8.238 8.238 8.013 0.225 19052 2081 1 8 . 1 1 522 522 ASP N N 522 120.331 120.331 119.229 1.102 19052 2082 1 8 . 1 1 522 522 ASP HA H 522 4.436 4.436 4.326 0.110 19052 2083 1 8 . 1 1 522 522 ASP C C 522 173.622 173.622 176.317 -2.695 19052 2084 1 8 . 1 1 522 522 ASP CA C 522 55.067 55.067 54.783 0.284 19052 2085 1 8 . 1 1 522 522 ASP CB C 522 41.079 41.079 39.560 1.519 19052 2086 1 8 . 1 1 522 522 ASP H H 522 8.151 8.151 8.684 -0.533 19052 2087 1 8 . 1 1 523 523 GLU N N 523 120.580 120.580 121.925 -1.345 19052 2088 1 8 . 1 1 523 523 GLU HA H 523 4.086 4.086 4.113 -0.027 19052 2089 1 8 . 1 1 523 523 GLU C C 523 173.037 173.037 176.171 -3.134 19052 2090 1 8 . 1 1 523 523 GLU CA C 523 57.580 57.580 54.793 2.787 19052 2091 1 8 . 1 1 523 523 GLU CB C 523 29.542 29.542 27.198 2.344 19052 2092 1 8 . 1 1 523 523 GLU H H 523 8.261 8.261 8.216 0.045 19052 2093 1 8 . 1 1 524 524 GLY N N 524 108.383 108.383 108.305 0.078 19052 2094 1 8 . 1 1 524 524 GLY C C 524 175.981 175.981 174.138 1.843 19052 2095 1 8 . 1 1 524 524 GLY CA C 524 45.936 45.936 45.054 0.882 19052 2096 1 8 . 1 1 524 524 GLY H H 524 8.287 8.287 7.750 0.537 19052 2097 1 8 . 1 1 525 525 ALA N N 525 122.951 122.951 123.593 -0.642 19052 2098 1 8 . 1 1 525 525 ALA HA H 525 4.150 4.150 4.233 -0.083 19052 2099 1 8 . 1 1 525 525 ALA C C 525 172.507 172.507 177.271 -4.764 19052 2100 1 8 . 1 1 525 525 ALA CA C 525 53.068 53.068 51.285 1.783 19052 2101 1 8 . 1 1 525 525 ALA CB C 525 19.406 19.406 16.783 2.623 19052 2102 1 8 . 1 1 525 525 ALA H H 525 7.846 7.846 8.081 -0.235 19052 2103 1 8 . 1 1 526 526 ALA N N 526 122.022 122.022 121.684 0.338 19052 2104 1 8 . 1 1 526 526 ALA HA H 526 4.181 4.181 3.846 0.335 19052 2105 1 8 . 1 1 526 526 ALA C C 526 172.070 172.070 176.437 -4.367 19052 2106 1 8 . 1 1 526 526 ALA CA C 526 53.158 53.158 52.910 0.248 19052 2107 1 8 . 1 1 526 526 ALA CB C 526 19.271 19.271 17.854 1.417 19052 2108 1 8 . 1 1 526 526 ALA H H 526 8.014 8.014 8.532 -0.518 19052 2109 1 8 . 1 1 527 527 ILE N N 527 118.520 118.520 119.438 -0.918 19052 2110 1 8 . 1 1 527 527 ILE HA H 527 3.887 3.887 4.077 -0.190 19052 2111 1 8 . 1 1 527 527 ILE C C 527 173.664 173.664 176.653 -2.989 19052 2112 1 8 . 1 1 527 527 ILE CA C 527 62.221 62.221 61.858 0.363 19052 2113 1 8 . 1 1 527 527 ILE CB C 527 38.735 38.735 37.912 0.823 19052 2114 1 8 . 1 1 527 527 ILE H H 527 7.907 7.907 8.046 -0.139 19052 2115 1 8 . 1 1 528 528 GLY N N 528 109.901 109.901 109.211 0.690 19052 2116 1 8 . 1 1 528 528 GLY C C 528 175.853 175.853 174.585 1.268 19052 2117 1 8 . 1 1 528 528 GLY CA C 528 46.143 46.143 46.091 0.052 19052 2118 1 8 . 1 1 528 528 GLY H H 528 8.251 8.251 8.240 0.011 19052 2119 1 8 . 1 1 529 529 ALA N N 529 122.244 122.244 121.147 1.097 19052 2120 1 8 . 1 1 529 529 ALA HA H 529 3.997 3.997 3.871 0.126 19052 2121 1 8 . 1 1 529 529 ALA C C 529 171.603 171.603 176.466 -4.863 19052 2122 1 8 . 1 1 529 529 ALA CA C 529 54.036 54.036 53.019 1.017 19052 2123 1 8 . 1 1 529 529 ALA CB C 529 19.173 19.173 17.641 1.532 19052 2124 1 8 . 1 1 529 529 ALA H H 529 7.968 7.968 7.474 0.494 19052 2125 1 8 . 1 1 530 530 ALA N N 530 119.150 119.150 118.108 1.042 19052 2126 1 8 . 1 1 530 530 ALA HA H 530 4.055 4.055 3.714 0.341 19052 2127 1 8 . 1 1 530 530 ALA C C 530 172.413 172.413 175.925 -3.512 19052 2128 1 8 . 1 1 530 530 ALA CA C 530 53.591 53.591 51.387 2.204 19052 2129 1 8 . 1 1 530 530 ALA CB C 530 19.102 19.102 18.674 0.428 19052 2130 1 8 . 1 1 530 530 ALA H H 530 8.161 8.161 7.506 0.655 19052 2131 1 8 . 1 1 531 531 TRP N N 531 115.703 115.703 115.632 0.071 19052 2132 1 8 . 1 1 531 531 TRP HA H 531 4.525 4.525 4.233 0.292 19052 2133 1 8 . 1 1 531 531 TRP C C 531 173.708 173.708 174.891 -1.183 19052 2134 1 8 . 1 1 531 531 TRP CA C 531 57.449 57.449 56.923 0.526 19052 2135 1 8 . 1 1 531 531 TRP CB C 531 30.079 30.079 26.289 3.790 19052 2136 1 8 . 1 1 531 531 TRP H H 531 7.758 7.758 7.979 -0.221 19052 2137 1 8 . 1 1 532 532 ILE N N 532 120.648 120.648 118.118 2.530 19052 2138 1 8 . 1 1 532 532 ILE HA H 532 3.814 3.814 4.368 -0.554 19052 2139 1 8 . 1 1 532 532 ILE CA C 532 63.978 63.978 58.441 5.537 19052 2140 1 8 . 1 1 532 532 ILE CB C 532 37.291 37.291 38.249 -0.958 19052 2141 1 8 . 1 1 532 532 ILE H H 532 7.515 7.515 7.866 -0.351 19052 2142 1 8 . 1 1 533 533 PRO HA H 533 4.199 4.199 4.228 -0.029 19052 2143 1 8 . 1 1 533 533 PRO C C 533 173.380 173.380 177.325 -3.945 19052 2144 1 8 . 1 1 533 533 PRO CA C 533 64.877 64.877 64.651 0.226 19052 2145 1 8 . 1 1 533 533 PRO CB C 533 31.795 31.795 30.888 0.907 19052 2146 1 8 . 1 1 534 534 TYR N N 534 114.701 114.701 117.422 -2.721 19052 2147 1 8 . 1 1 534 534 TYR HA H 534 4.127 4.127 4.288 -0.161 19052 2148 1 8 . 1 1 534 534 TYR C C 534 174.356 174.356 177.092 -2.736 19052 2149 1 8 . 1 1 534 534 TYR CA C 534 60.153 60.153 60.541 -0.388 19052 2150 1 8 . 1 1 534 534 TYR CB C 534 38.665 38.665 38.253 0.412 19052 2151 1 8 . 1 1 534 534 TYR H H 534 7.558 7.558 7.978 -0.420 19052 2152 1 8 . 1 1 535 535 PHE N N 535 116.978 116.978 112.482 4.496 19052 2153 1 8 . 1 1 535 535 PHE HA H 535 4.381 4.381 4.955 -0.574 19052 2154 1 8 . 1 1 535 535 PHE C C 535 174.160 174.160 176.139 -1.979 19052 2155 1 8 . 1 1 535 535 PHE CA C 535 59.095 59.095 55.715 3.380 19052 2156 1 8 . 1 1 535 535 PHE CB C 535 40.607 40.607 38.904 1.703 19052 2157 1 8 . 1 1 535 535 PHE H H 535 8.003 8.003 7.029 0.974 19052 2158 1 8 . 1 1 536 536 GLY N N 536 107.091 107.091 111.977 -4.886 19052 2159 1 8 . 1 1 536 536 GLY CA C 536 47.335 47.335 46.465 0.870 19052 2160 1 8 . 1 1 536 536 GLY H H 536 8.130 8.130 8.674 -0.544 19052 2161 1 8 . 1 1 537 537 PRO HA H 537 4.244 4.244 4.344 -0.100 19052 2162 1 8 . 1 1 537 537 PRO C C 537 171.319 171.319 175.083 -3.764 19052 2163 1 8 . 1 1 537 537 PRO CA C 537 65.023 65.023 63.351 1.672 19052 2164 1 8 . 1 1 537 537 PRO CB C 537 31.842 31.842 30.854 0.988 19052 2165 1 8 . 1 1 538 538 ALA N N 538 120.335 120.335 119.276 1.059 19052 2166 1 8 . 1 1 538 538 ALA HA H 538 4.104 4.104 4.635 -0.531 19052 2167 1 8 . 1 1 538 538 ALA C C 538 171.431 171.431 176.115 -4.684 19052 2168 1 8 . 1 1 538 538 ALA CA C 538 54.534 54.534 52.164 2.370 19052 2169 1 8 . 1 1 538 538 ALA CB C 538 18.866 18.866 20.886 -2.020 19052 2170 1 8 . 1 1 538 538 ALA H H 538 7.913 7.913 8.044 -0.131 19052 2171 1 8 . 1 1 539 539 ALA N N 539 120.016 120.016 119.313 0.703 19052 2172 1 8 . 1 1 539 539 ALA HA H 539 3.916 3.916 4.776 -0.860 19052 2173 1 8 . 1 1 539 539 ALA C C 539 171.593 171.593 176.930 -5.337 19052 2174 1 8 . 1 1 539 539 ALA CA C 539 54.669 54.669 52.848 1.821 19052 2175 1 8 . 1 1 539 539 ALA CB C 539 18.929 18.929 20.363 -1.434 19052 2176 1 8 . 1 1 539 539 ALA H H 539 8.105 8.105 7.554 0.551 19052 2177 1 8 . 1 1 540 540 GLU N N 540 116.288 116.288 121.023 -4.735 19052 2178 1 8 . 1 1 540 540 GLU HA H 540 3.922 3.922 4.331 -0.409 19052 2179 1 8 . 1 1 540 540 GLU C C 540 171.649 171.649 177.110 -5.461 19052 2180 1 8 . 1 1 540 540 GLU CA C 540 59.055 59.055 56.178 2.877 19052 2181 1 8 . 1 1 540 540 GLU CB C 540 29.335 29.335 27.404 1.931 19052 2182 1 8 . 1 1 540 540 GLU H H 540 8.081 8.081 8.488 -0.407 19052 2183 1 8 . 1 1 541 541 GLY N N 541 107.262 107.262 109.014 -1.752 19052 2184 1 8 . 1 1 541 541 GLY C C 541 174.868 174.868 175.311 -0.443 19052 2185 1 8 . 1 1 541 541 GLY CA C 541 46.506 46.506 45.827 0.679 19052 2186 1 8 . 1 1 541 541 GLY H H 541 8.063 8.063 9.114 -1.051 19052 2187 1 8 . 1 1 542 542 ILE N N 542 120.614 120.614 121.993 -1.379 19052 2188 1 8 . 1 1 542 542 ILE HA H 542 3.760 3.760 3.611 0.149 19052 2189 1 8 . 1 1 542 542 ILE C C 542 173.000 173.000 176.706 -3.706 19052 2190 1 8 . 1 1 542 542 ILE CA C 542 64.103 64.103 64.128 -0.025 19052 2191 1 8 . 1 1 542 542 ILE CB C 542 38.394 38.394 38.079 0.315 19052 2192 1 8 . 1 1 542 542 ILE H H 542 7.843 7.843 8.144 -0.301 19052 2193 1 8 . 1 1 543 543 TYR N N 543 120.210 120.210 117.655 2.555 19052 2194 1 8 . 1 1 543 543 TYR HA H 543 4.178 4.178 4.118 0.060 19052 2195 1 8 . 1 1 543 543 TYR C C 543 173.268 173.268 176.713 -3.445 19052 2196 1 8 . 1 1 543 543 TYR CA C 543 60.547 60.547 59.192 1.355 19052 2197 1 8 . 1 1 543 543 TYR CB C 543 38.923 38.923 35.933 2.990 19052 2198 1 8 . 1 1 543 543 TYR H H 543 8.027 8.027 8.576 -0.549 19052 2199 1 8 . 1 1 544 544 ALA N N 544 121.025 121.025 121.090 -0.065 19052 2200 1 8 . 1 1 544 544 ALA HA H 544 3.953 3.953 3.596 0.357 19052 2201 1 8 . 1 1 544 544 ALA C C 544 171.072 171.072 179.113 -8.041 19052 2202 1 8 . 1 1 544 544 ALA CA C 544 54.440 54.440 53.742 0.698 19052 2203 1 8 . 1 1 544 544 ALA CB C 544 19.028 19.028 17.668 1.360 19052 2204 1 8 . 1 1 544 544 ALA H H 544 8.079 8.079 7.154 0.925 19052 2205 1 8 . 1 1 545 545 GLU N N 545 116.132 116.132 118.648 -2.516 19052 2206 1 8 . 1 1 545 545 GLU HA H 545 4.096 4.096 4.013 0.083 19052 2207 1 8 . 1 1 545 545 GLU C C 545 172.525 172.525 178.360 -5.835 19052 2208 1 8 . 1 1 545 545 GLU CA C 545 57.355 57.355 57.499 -0.144 19052 2209 1 8 . 1 1 545 545 GLU CB C 545 29.517 29.517 29.509 0.008 19052 2210 1 8 . 1 1 545 545 GLU H H 545 7.880 7.880 8.314 -0.434 19052 2211 1 8 . 1 1 546 546 GLY N N 546 107.283 107.283 108.286 -1.003 19052 2212 1 8 . 1 1 546 546 GLY C C 546 175.638 175.638 174.367 1.271 19052 2213 1 8 . 1 1 546 546 GLY CA C 546 46.241 46.241 46.520 -0.279 19052 2214 1 8 . 1 1 546 546 GLY H H 546 8.028 8.028 8.368 -0.340 19052 2215 1 8 . 1 1 547 547 LEU N N 547 119.944 119.944 112.307 7.637 19052 2216 1 8 . 1 1 547 547 LEU HA H 547 4.127 4.127 4.850 -0.723 19052 2217 1 8 . 1 1 547 547 LEU C C 547 172.747 172.747 176.135 -3.388 19052 2218 1 8 . 1 1 547 547 LEU CA C 547 56.418 56.418 55.372 1.046 19052 2219 1 8 . 1 1 547 547 LEU CB C 547 42.717 42.717 43.643 -0.926 19052 2220 1 8 . 1 1 547 547 LEU H H 547 7.865 7.865 8.112 -0.247 19052 2221 1 8 . 1 1 548 548 MET N N 548 115.796 115.796 115.739 0.057 19052 2222 1 8 . 1 1 548 548 MET HA H 548 4.231 4.231 4.628 -0.397 19052 2223 1 8 . 1 1 548 548 MET C C 548 173.854 173.854 176.402 -2.548 19052 2224 1 8 . 1 1 548 548 MET CA C 548 55.914 55.914 56.404 -0.490 19052 2225 1 8 . 1 1 548 548 MET CB C 548 32.474 32.474 33.663 -1.189 19052 2226 1 8 . 1 1 548 548 MET H H 548 7.958 7.958 8.316 -0.358 19052 2227 1 8 . 1 1 549 549 HIS N N 549 116.928 116.928 119.404 -2.476 19052 2228 1 8 . 1 1 549 549 HIS HA H 549 4.572 4.572 4.595 -0.023 19052 2229 1 8 . 1 1 549 549 HIS C C 549 175.817 175.817 176.151 -0.334 19052 2230 1 8 . 1 1 549 549 HIS CA C 549 55.746 55.746 58.929 -3.183 19052 2231 1 8 . 1 1 549 549 HIS CB C 549 28.918 28.918 29.076 -0.159 19052 2232 1 8 . 1 1 549 549 HIS H H 549 8.059 8.059 8.752 -0.693 19052 2233 1 8 . 1 1 550 550 ASN N N 550 118.413 118.413 115.284 3.129 19052 2234 1 8 . 1 1 550 550 ASN HA H 550 4.554 4.554 4.611 -0.057 19052 2235 1 8 . 1 1 550 550 ASN C C 550 174.738 174.738 176.106 -1.368 19052 2236 1 8 . 1 1 550 550 ASN CA C 550 53.874 53.874 53.115 0.759 19052 2237 1 8 . 1 1 550 550 ASN CB C 550 38.883 38.883 37.768 1.115 19052 2238 1 8 . 1 1 550 550 ASN H H 550 8.222 8.222 8.672 -0.450 19052 2239 1 8 . 1 1 551 551 GLN N N 551 119.844 119.844 119.394 0.450 19052 2240 1 8 . 1 1 551 551 GLN HA H 551 4.217 4.217 4.189 0.028 19052 2241 1 8 . 1 1 551 551 GLN C C 551 173.745 173.745 175.453 -1.708 19052 2242 1 8 . 1 1 551 551 GLN CA C 551 56.477 56.477 57.027 -0.550 19052 2243 1 8 . 1 1 551 551 GLN CB C 551 29.046 29.046 29.301 -0.255 19052 2244 1 8 . 1 1 551 551 GLN H H 551 8.336 8.336 7.876 0.460 19052 2245 1 8 . 1 1 552 552 ASP N N 552 119.497 119.497 117.131 2.366 19052 2246 1 8 . 1 1 552 552 ASP HA H 552 4.434 4.434 4.739 -0.305 19052 2247 1 8 . 1 1 552 552 ASP C C 552 173.446 173.446 175.915 -2.469 19052 2248 1 8 . 1 1 552 552 ASP CA C 552 55.146 55.146 54.288 0.858 19052 2249 1 8 . 1 1 552 552 ASP CB C 552 41.174 41.174 43.154 -1.980 19052 2250 1 8 . 1 1 552 552 ASP H H 552 8.192 8.192 8.463 -0.271 19052 2251 1 8 . 1 1 553 553 GLY N N 553 107.920 107.920 107.220 0.700 19052 2252 1 8 . 1 1 553 553 GLY C C 553 175.627 175.627 174.668 0.959 19052 2253 1 8 . 1 1 553 553 GLY CA C 553 45.791 45.791 45.016 0.775 19052 2254 1 8 . 1 1 553 553 GLY H H 553 8.114 8.114 7.802 0.312 19052 2255 1 8 . 1 1 554 554 LEU N N 554 121.436 121.436 118.227 3.209 19052 2256 1 8 . 1 1 554 554 LEU HA H 554 4.150 4.150 4.093 0.057 19052 2257 1 8 . 1 1 554 554 LEU C C 554 172.742 172.742 177.340 -4.598 19052 2258 1 8 . 1 1 554 554 LEU CA C 554 56.520 56.520 56.721 -0.201 19052 2259 1 8 . 1 1 554 554 LEU CB C 554 42.857 42.857 41.544 1.313 19052 2260 1 8 . 1 1 554 554 LEU H H 554 8.055 8.055 7.740 0.315 19052 2261 1 8 . 1 1 555 555 ILE N N 555 117.147 117.147 114.974 2.173 19052 2262 1 8 . 1 1 555 555 ILE HA H 555 3.947 3.947 3.800 0.147 19052 2263 1 8 . 1 1 555 555 ILE C C 555 174.354 174.354 176.972 -2.618 19052 2264 1 8 . 1 1 555 555 ILE CA C 555 62.214 62.214 61.398 0.816 19052 2265 1 8 . 1 1 555 555 ILE CB C 555 38.447 38.447 35.525 2.922 19052 2266 1 8 . 1 1 555 555 ILE H H 555 7.946 7.946 7.790 0.156 19052 2267 1 8 . 1 1 556 556 CYS N N 556 119.354 119.354 125.319 -5.965 19052 2268 1 8 . 1 1 556 556 CYS HA H 556 4.439 4.439 4.299 0.140 19052 2269 1 8 . 1 1 556 556 CYS C C 556 174.864 174.864 176.063 -1.199 19052 2270 1 8 . 1 1 556 556 CYS CA C 556 55.915 55.915 60.593 -4.678 19052 2271 1 8 . 1 1 556 556 CYS CB C 556 40.902 40.902 27.919 12.983 19052 2272 1 8 . 1 1 556 556 CYS H H 556 8.193 8.193 9.054 -0.861 19052 2273 1 8 . 1 1 557 557 GLY N N 557 108.370 108.370 107.375 0.995 19052 2274 1 8 . 1 1 557 557 GLY C C 557 176.365 176.365 174.029 2.336 19052 2275 1 8 . 1 1 557 557 GLY CA C 557 45.923 45.923 45.462 0.461 19052 2276 1 8 . 1 1 557 557 GLY H H 557 8.112 8.112 8.381 -0.269 19052 2277 1 8 . 1 1 558 558 LEU N N 558 120.302 120.302 115.665 4.637 19052 2278 1 8 . 1 1 558 558 LEU HA H 558 4.209 4.209 4.546 -0.337 19052 2279 1 8 . 1 1 558 558 LEU C C 558 173.387 173.387 175.111 -1.724 19052 2280 1 8 . 1 1 558 558 LEU CA C 558 55.568 55.568 54.542 1.026 19052 2281 1 8 . 1 1 558 558 LEU CB C 558 42.943 42.943 42.155 0.788 19052 2282 1 8 . 1 1 558 558 LEU H H 558 7.816 7.816 7.644 0.172 19052 2283 1 8 . 1 1 559 559 ARG N N 559 119.826 119.826 117.559 2.267 19052 2284 1 8 . 1 1 559 559 ARG HA H 559 4.246 4.246 3.971 0.275 19052 2285 1 8 . 1 1 559 559 ARG C C 559 175.047 175.047 174.435 0.612 19052 2286 1 8 . 1 1 559 559 ARG CA C 559 55.858 55.858 57.113 -1.255 19052 2287 1 8 . 1 1 559 559 ARG CB C 559 30.806 30.806 29.077 1.729 19052 2288 1 8 . 1 1 559 559 ARG H H 559 7.996 7.996 8.025 -0.029 19052 2289 1 9 . 1 1 508 508 GLN N N 508 120.688 120.688 122.009 -1.321 19052 2290 1 9 . 1 1 508 508 GLN HA H 508 4.590 4.590 4.585 0.005 19052 2291 1 9 . 1 1 508 508 GLN CA C 508 53.781 53.781 54.379 -0.598 19052 2292 1 9 . 1 1 508 508 GLN CB C 508 29.074 29.074 29.024 0.050 19052 2293 1 9 . 1 1 508 508 GLN H H 508 8.558 8.558 8.258 0.300 19052 2294 1 9 . 1 1 509 509 PRO HA H 509 4.322 4.322 4.504 -0.182 19052 2295 1 9 . 1 1 509 509 PRO C C 509 173.716 173.716 175.480 -1.764 19052 2296 1 9 . 1 1 509 509 PRO CA C 509 63.284 63.284 62.787 0.497 19052 2297 1 9 . 1 1 509 509 PRO CB C 509 32.273 32.273 31.907 0.366 19052 2298 1 9 . 1 1 510 510 LYS N N 510 121.212 121.212 117.159 4.053 19052 2299 1 9 . 1 1 510 510 LYS HA H 510 4.205 4.205 4.107 0.098 19052 2300 1 9 . 1 1 510 510 LYS C C 510 173.988 173.988 176.363 -2.375 19052 2301 1 9 . 1 1 510 510 LYS CA C 510 56.301 56.301 57.299 -0.998 19052 2302 1 9 . 1 1 510 510 LYS CB C 510 33.419 33.419 30.198 3.221 19052 2303 1 9 . 1 1 510 510 LYS H H 510 8.322 8.322 8.204 0.118 19052 2304 1 9 . 1 1 511 511 CYS N N 511 119.342 119.342 114.226 5.116 19052 2305 1 9 . 1 1 511 511 CYS HA H 511 4.558 4.558 4.715 -0.157 19052 2306 1 9 . 1 1 511 511 CYS C C 511 176.901 176.901 175.064 1.837 19052 2307 1 9 . 1 1 511 511 CYS CA C 511 55.516 55.516 56.983 -1.467 19052 2308 1 9 . 1 1 511 511 CYS CB C 511 41.836 41.836 28.609 13.227 19052 2309 1 9 . 1 1 511 511 CYS H H 511 8.269 8.269 8.575 -0.306 19052 2310 1 9 . 1 1 512 512 ASN N N 512 122.311 122.311 122.482 -0.171 19052 2311 1 9 . 1 1 512 512 ASN HA H 512 4.890 4.890 4.963 -0.073 19052 2312 1 9 . 1 1 512 512 ASN CA C 512 51.259 51.259 52.823 -1.564 19052 2313 1 9 . 1 1 512 512 ASN CB C 512 39.388 39.388 38.077 1.311 19052 2314 1 9 . 1 1 512 512 ASN H H 512 8.605 8.605 8.122 0.483 19052 2315 1 9 . 1 1 513 513 PRO HA H 513 4.295 4.295 4.626 -0.331 19052 2316 1 9 . 1 1 513 513 PRO C C 513 173.951 173.951 176.958 -3.007 19052 2317 1 9 . 1 1 513 513 PRO CA C 513 63.657 63.657 61.694 1.963 19052 2318 1 9 . 1 1 513 513 PRO CB C 513 32.188 32.188 32.759 -0.571 19052 2319 1 9 . 1 1 514 514 ASN N N 514 117.512 117.512 117.504 0.008 19052 2320 1 9 . 1 1 514 514 ASN HA H 514 4.539 4.539 4.467 0.072 19052 2321 1 9 . 1 1 514 514 ASN C C 514 175.348 175.348 175.835 -0.487 19052 2322 1 9 . 1 1 514 514 ASN CA C 514 53.557 53.557 55.835 -2.278 19052 2323 1 9 . 1 1 514 514 ASN CB C 514 39.195 39.195 38.515 0.680 19052 2324 1 9 . 1 1 514 514 ASN H H 514 8.288 8.288 8.673 -0.385 19052 2325 1 9 . 1 1 515 515 LEU N N 515 121.066 121.066 112.480 8.586 19052 2326 1 9 . 1 1 515 515 LEU HA H 515 4.157 4.157 3.832 0.325 19052 2327 1 9 . 1 1 515 515 LEU C C 515 173.686 173.686 175.270 -1.584 19052 2328 1 9 . 1 1 515 515 LEU CA C 515 55.344 55.344 55.887 -0.543 19052 2329 1 9 . 1 1 515 515 LEU CB C 515 42.525 42.525 40.192 2.333 19052 2330 1 9 . 1 1 515 515 LEU H H 515 7.773 7.773 8.300 -0.527 19052 2331 1 9 . 1 1 516 516 HIS N N 516 117.512 117.512 114.661 2.851 19052 2332 1 9 . 1 1 516 516 HIS HA H 516 4.438 4.438 4.758 -0.320 19052 2333 1 9 . 1 1 516 516 HIS C C 516 175.736 175.736 175.797 -0.061 19052 2334 1 9 . 1 1 516 516 HIS CA C 516 55.806 55.806 55.410 0.396 19052 2335 1 9 . 1 1 516 516 HIS CB C 516 28.903 28.903 30.807 -1.904 19052 2336 1 9 . 1 1 516 516 HIS H H 516 8.109 8.109 7.855 0.254 19052 2337 1 9 . 1 1 517 517 TYR N N 517 120.068 120.068 117.365 2.703 19052 2338 1 9 . 1 1 517 517 TYR HA H 517 4.206 4.206 4.363 -0.157 19052 2339 1 9 . 1 1 517 517 TYR C C 517 174.847 174.847 175.560 -0.713 19052 2340 1 9 . 1 1 517 517 TYR CA C 517 59.252 59.252 57.016 2.236 19052 2341 1 9 . 1 1 517 517 TYR CB C 517 39.066 39.066 37.244 1.822 19052 2342 1 9 . 1 1 517 517 TYR H H 517 8.070 8.070 7.659 0.411 19052 2343 1 9 . 1 1 518 518 TRP N N 518 118.503 118.503 122.691 -4.188 19052 2344 1 9 . 1 1 518 518 TRP HA H 518 4.549 4.549 4.777 -0.228 19052 2345 1 9 . 1 1 518 518 TRP C C 518 174.443 174.443 176.623 -2.180 19052 2346 1 9 . 1 1 518 518 TRP CA C 518 57.822 57.822 56.446 1.376 19052 2347 1 9 . 1 1 518 518 TRP CB C 518 29.912 29.912 31.320 -1.408 19052 2348 1 9 . 1 1 518 518 TRP H H 518 7.641 7.641 7.355 0.286 19052 2349 1 9 . 1 1 519 519 THR N N 519 112.242 112.242 118.878 -6.636 19052 2350 1 9 . 1 1 519 519 THR HA H 519 4.340 4.340 3.812 0.528 19052 2351 1 9 . 1 1 519 519 THR C C 519 175.579 175.579 174.929 0.650 19052 2352 1 9 . 1 1 519 519 THR CA C 519 61.791 61.791 65.099 -3.308 19052 2353 1 9 . 1 1 519 519 THR CB C 519 70.049 70.049 68.913 1.136 19052 2354 1 9 . 1 1 519 519 THR H H 519 7.887 7.887 8.287 -0.400 19052 2355 1 9 . 1 1 520 520 THR N N 520 114.383 114.383 108.443 5.940 19052 2356 1 9 . 1 1 520 520 THR HA H 520 4.245 4.245 4.305 -0.060 19052 2357 1 9 . 1 1 520 520 THR C C 520 175.402 175.402 172.624 2.778 19052 2358 1 9 . 1 1 520 520 THR CA C 520 62.140 62.140 63.148 -1.008 19052 2359 1 9 . 1 1 520 520 THR CB C 520 69.994 69.994 68.730 1.264 19052 2360 1 9 . 1 1 520 520 THR H H 520 7.936 7.936 7.655 0.281 19052 2361 1 9 . 1 1 521 521 GLN N N 521 121.482 121.482 122.267 -0.785 19052 2362 1 9 . 1 1 521 521 GLN HA H 521 4.167 4.167 4.204 -0.037 19052 2363 1 9 . 1 1 521 521 GLN C C 521 174.280 174.280 175.283 -1.003 19052 2364 1 9 . 1 1 521 521 GLN CA C 521 56.569 56.569 56.305 0.264 19052 2365 1 9 . 1 1 521 521 GLN CB C 521 29.357 29.357 29.302 0.055 19052 2366 1 9 . 1 1 521 521 GLN H H 521 8.238 8.238 8.016 0.222 19052 2367 1 9 . 1 1 522 522 ASP N N 522 120.331 120.331 122.025 -1.694 19052 2368 1 9 . 1 1 522 522 ASP HA H 522 4.436 4.436 4.364 0.072 19052 2369 1 9 . 1 1 522 522 ASP C C 522 173.622 173.622 176.552 -2.930 19052 2370 1 9 . 1 1 522 522 ASP CA C 522 55.067 55.067 55.375 -0.308 19052 2371 1 9 . 1 1 522 522 ASP CB C 522 41.079 41.079 39.829 1.250 19052 2372 1 9 . 1 1 522 522 ASP H H 522 8.151 8.151 8.692 -0.541 19052 2373 1 9 . 1 1 523 523 GLU N N 523 120.580 120.580 124.335 -3.755 19052 2374 1 9 . 1 1 523 523 GLU HA H 523 4.086 4.086 4.125 -0.039 19052 2375 1 9 . 1 1 523 523 GLU C C 523 173.037 173.037 176.237 -3.200 19052 2376 1 9 . 1 1 523 523 GLU CA C 523 57.580 57.580 55.136 2.444 19052 2377 1 9 . 1 1 523 523 GLU CB C 523 29.542 29.542 27.238 2.304 19052 2378 1 9 . 1 1 523 523 GLU H H 523 8.261 8.261 8.269 -0.008 19052 2379 1 9 . 1 1 524 524 GLY N N 524 108.383 108.383 108.972 -0.589 19052 2380 1 9 . 1 1 524 524 GLY C C 524 175.981 175.981 174.114 1.867 19052 2381 1 9 . 1 1 524 524 GLY CA C 524 45.936 45.936 45.114 0.822 19052 2382 1 9 . 1 1 524 524 GLY H H 524 8.287 8.287 7.926 0.361 19052 2383 1 9 . 1 1 525 525 ALA N N 525 122.951 122.951 124.076 -1.125 19052 2384 1 9 . 1 1 525 525 ALA HA H 525 4.150 4.150 4.462 -0.312 19052 2385 1 9 . 1 1 525 525 ALA C C 525 172.507 172.507 177.891 -5.384 19052 2386 1 9 . 1 1 525 525 ALA CA C 525 53.068 53.068 51.171 1.897 19052 2387 1 9 . 1 1 525 525 ALA CB C 525 19.406 19.406 17.058 2.348 19052 2388 1 9 . 1 1 525 525 ALA H H 525 7.846 7.846 7.950 -0.104 19052 2389 1 9 . 1 1 526 526 ALA N N 526 122.022 122.022 121.906 0.116 19052 2390 1 9 . 1 1 526 526 ALA HA H 526 4.181 4.181 3.879 0.302 19052 2391 1 9 . 1 1 526 526 ALA C C 526 172.070 172.070 176.390 -4.320 19052 2392 1 9 . 1 1 526 526 ALA CA C 526 53.158 53.158 53.016 0.142 19052 2393 1 9 . 1 1 526 526 ALA CB C 526 19.271 19.271 17.915 1.356 19052 2394 1 9 . 1 1 526 526 ALA H H 526 8.014 8.014 8.346 -0.332 19052 2395 1 9 . 1 1 527 527 ILE N N 527 118.520 118.520 119.170 -0.650 19052 2396 1 9 . 1 1 527 527 ILE HA H 527 3.887 3.887 4.002 -0.115 19052 2397 1 9 . 1 1 527 527 ILE C C 527 173.664 173.664 176.185 -2.521 19052 2398 1 9 . 1 1 527 527 ILE CA C 527 62.221 62.221 62.157 0.064 19052 2399 1 9 . 1 1 527 527 ILE CB C 527 38.735 38.735 38.179 0.556 19052 2400 1 9 . 1 1 527 527 ILE H H 527 7.907 7.907 7.893 0.014 19052 2401 1 9 . 1 1 528 528 GLY N N 528 109.901 109.901 109.154 0.747 19052 2402 1 9 . 1 1 528 528 GLY C C 528 175.853 175.853 174.940 0.913 19052 2403 1 9 . 1 1 528 528 GLY CA C 528 46.143 46.143 45.964 0.179 19052 2404 1 9 . 1 1 528 528 GLY H H 528 8.251 8.251 8.577 -0.326 19052 2405 1 9 . 1 1 529 529 ALA N N 529 122.244 122.244 121.521 0.723 19052 2406 1 9 . 1 1 529 529 ALA HA H 529 3.997 3.997 3.885 0.112 19052 2407 1 9 . 1 1 529 529 ALA C C 529 171.603 171.603 176.492 -4.889 19052 2408 1 9 . 1 1 529 529 ALA CA C 529 54.036 54.036 53.007 1.030 19052 2409 1 9 . 1 1 529 529 ALA CB C 529 19.173 19.173 17.665 1.508 19052 2410 1 9 . 1 1 529 529 ALA H H 529 7.968 7.968 7.658 0.310 19052 2411 1 9 . 1 1 530 530 ALA N N 530 119.150 119.150 118.181 0.969 19052 2412 1 9 . 1 1 530 530 ALA HA H 530 4.055 4.055 3.737 0.318 19052 2413 1 9 . 1 1 530 530 ALA C C 530 172.413 172.413 175.988 -3.575 19052 2414 1 9 . 1 1 530 530 ALA CA C 530 53.591 53.591 51.434 2.157 19052 2415 1 9 . 1 1 530 530 ALA CB C 530 19.102 19.102 18.646 0.456 19052 2416 1 9 . 1 1 530 530 ALA H H 530 8.161 8.161 7.549 0.612 19052 2417 1 9 . 1 1 531 531 TRP N N 531 115.703 115.703 115.618 0.085 19052 2418 1 9 . 1 1 531 531 TRP HA H 531 4.525 4.525 4.236 0.289 19052 2419 1 9 . 1 1 531 531 TRP C C 531 173.708 173.708 174.915 -1.207 19052 2420 1 9 . 1 1 531 531 TRP CA C 531 57.449 57.449 56.951 0.498 19052 2421 1 9 . 1 1 531 531 TRP CB C 531 30.079 30.079 26.343 3.736 19052 2422 1 9 . 1 1 531 531 TRP H H 531 7.758 7.758 8.006 -0.248 19052 2423 1 9 . 1 1 532 532 ILE N N 532 120.648 120.648 118.194 2.454 19052 2424 1 9 . 1 1 532 532 ILE HA H 532 3.814 3.814 4.518 -0.704 19052 2425 1 9 . 1 1 532 532 ILE CA C 532 63.978 63.978 58.547 5.431 19052 2426 1 9 . 1 1 532 532 ILE CB C 532 37.291 37.291 38.429 -1.138 19052 2427 1 9 . 1 1 532 532 ILE H H 532 7.515 7.515 7.921 -0.406 19052 2428 1 9 . 1 1 533 533 PRO HA H 533 4.199 4.199 4.246 -0.047 19052 2429 1 9 . 1 1 533 533 PRO C C 533 173.380 173.380 177.379 -3.999 19052 2430 1 9 . 1 1 533 533 PRO CA C 533 64.877 64.877 64.708 0.169 19052 2431 1 9 . 1 1 533 533 PRO CB C 533 31.795 31.795 30.865 0.930 19052 2432 1 9 . 1 1 534 534 TYR N N 534 114.701 114.701 117.532 -2.831 19052 2433 1 9 . 1 1 534 534 TYR HA H 534 4.127 4.127 4.153 -0.026 19052 2434 1 9 . 1 1 534 534 TYR C C 534 174.356 174.356 177.016 -2.660 19052 2435 1 9 . 1 1 534 534 TYR CA C 534 60.153 60.153 60.475 -0.322 19052 2436 1 9 . 1 1 534 534 TYR CB C 534 38.665 38.665 37.840 0.825 19052 2437 1 9 . 1 1 534 534 TYR H H 534 7.558 7.558 7.885 -0.327 19052 2438 1 9 . 1 1 535 535 PHE N N 535 116.978 116.978 112.609 4.369 19052 2439 1 9 . 1 1 535 535 PHE HA H 535 4.381 4.381 4.973 -0.592 19052 2440 1 9 . 1 1 535 535 PHE C C 535 174.160 174.160 176.255 -2.095 19052 2441 1 9 . 1 1 535 535 PHE CA C 535 59.095 59.095 55.285 3.810 19052 2442 1 9 . 1 1 535 535 PHE CB C 535 40.607 40.607 38.601 2.006 19052 2443 1 9 . 1 1 535 535 PHE H H 535 8.003 8.003 6.968 1.035 19052 2444 1 9 . 1 1 536 536 GLY N N 536 107.091 107.091 112.256 -5.165 19052 2445 1 9 . 1 1 536 536 GLY CA C 536 47.335 47.335 46.725 0.610 19052 2446 1 9 . 1 1 536 536 GLY H H 536 8.130 8.130 8.870 -0.740 19052 2447 1 9 . 1 1 537 537 PRO HA H 537 4.244 4.244 4.546 -0.302 19052 2448 1 9 . 1 1 537 537 PRO C C 537 171.319 171.319 175.461 -4.142 19052 2449 1 9 . 1 1 537 537 PRO CA C 537 65.023 65.023 63.242 1.781 19052 2450 1 9 . 1 1 537 537 PRO CB C 537 31.842 31.842 30.774 1.068 19052 2451 1 9 . 1 1 538 538 ALA N N 538 120.335 120.335 118.482 1.853 19052 2452 1 9 . 1 1 538 538 ALA HA H 538 4.104 4.104 4.563 -0.459 19052 2453 1 9 . 1 1 538 538 ALA C C 538 171.431 171.431 176.149 -4.718 19052 2454 1 9 . 1 1 538 538 ALA CA C 538 54.534 54.534 52.332 2.202 19052 2455 1 9 . 1 1 538 538 ALA CB C 538 18.866 18.866 20.671 -1.805 19052 2456 1 9 . 1 1 538 538 ALA H H 538 7.913 7.913 7.903 0.010 19052 2457 1 9 . 1 1 539 539 ALA N N 539 120.016 120.016 119.650 0.366 19052 2458 1 9 . 1 1 539 539 ALA HA H 539 3.916 3.916 4.775 -0.859 19052 2459 1 9 . 1 1 539 539 ALA C C 539 171.593 171.593 176.839 -5.246 19052 2460 1 9 . 1 1 539 539 ALA CA C 539 54.669 54.669 52.544 2.125 19052 2461 1 9 . 1 1 539 539 ALA CB C 539 18.929 18.929 20.437 -1.508 19052 2462 1 9 . 1 1 539 539 ALA H H 539 8.105 8.105 7.459 0.646 19052 2463 1 9 . 1 1 540 540 GLU N N 540 116.288 116.288 120.663 -4.375 19052 2464 1 9 . 1 1 540 540 GLU HA H 540 3.922 3.922 4.332 -0.410 19052 2465 1 9 . 1 1 540 540 GLU C C 540 171.649 171.649 176.975 -5.326 19052 2466 1 9 . 1 1 540 540 GLU CA C 540 59.055 59.055 56.267 2.788 19052 2467 1 9 . 1 1 540 540 GLU CB C 540 29.335 29.335 27.736 1.599 19052 2468 1 9 . 1 1 540 540 GLU H H 540 8.081 8.081 8.454 -0.373 19052 2469 1 9 . 1 1 541 541 GLY N N 541 107.262 107.262 109.082 -1.820 19052 2470 1 9 . 1 1 541 541 GLY C C 541 174.868 174.868 175.109 -0.241 19052 2471 1 9 . 1 1 541 541 GLY CA C 541 46.506 46.506 45.765 0.741 19052 2472 1 9 . 1 1 541 541 GLY H H 541 8.063 8.063 9.116 -1.053 19052 2473 1 9 . 1 1 542 542 ILE N N 542 120.614 120.614 122.166 -1.552 19052 2474 1 9 . 1 1 542 542 ILE HA H 542 3.760 3.760 3.526 0.234 19052 2475 1 9 . 1 1 542 542 ILE C C 542 173.000 173.000 176.386 -3.386 19052 2476 1 9 . 1 1 542 542 ILE CA C 542 64.103 64.103 64.459 -0.356 19052 2477 1 9 . 1 1 542 542 ILE CB C 542 38.394 38.394 37.733 0.661 19052 2478 1 9 . 1 1 542 542 ILE H H 542 7.843 7.843 8.433 -0.590 19052 2479 1 9 . 1 1 543 543 TYR N N 543 120.210 120.210 117.830 2.380 19052 2480 1 9 . 1 1 543 543 TYR HA H 543 4.178 4.178 4.097 0.081 19052 2481 1 9 . 1 1 543 543 TYR C C 543 173.268 173.268 176.807 -3.539 19052 2482 1 9 . 1 1 543 543 TYR CA C 543 60.547 60.547 59.032 1.514 19052 2483 1 9 . 1 1 543 543 TYR CB C 543 38.923 38.923 35.490 3.433 19052 2484 1 9 . 1 1 543 543 TYR H H 543 8.027 8.027 8.471 -0.444 19052 2485 1 9 . 1 1 544 544 ALA N N 544 121.025 121.025 121.103 -0.078 19052 2486 1 9 . 1 1 544 544 ALA HA H 544 3.953 3.953 3.691 0.262 19052 2487 1 9 . 1 1 544 544 ALA C C 544 171.072 171.072 179.119 -8.047 19052 2488 1 9 . 1 1 544 544 ALA CA C 544 54.440 54.440 53.740 0.700 19052 2489 1 9 . 1 1 544 544 ALA CB C 544 19.028 19.028 17.633 1.395 19052 2490 1 9 . 1 1 544 544 ALA H H 544 8.079 8.079 6.982 1.097 19052 2491 1 9 . 1 1 545 545 GLU N N 545 116.132 116.132 119.387 -3.255 19052 2492 1 9 . 1 1 545 545 GLU HA H 545 4.096 4.096 4.000 0.096 19052 2493 1 9 . 1 1 545 545 GLU C C 545 172.525 172.525 178.352 -5.827 19052 2494 1 9 . 1 1 545 545 GLU CA C 545 57.355 57.355 57.608 -0.253 19052 2495 1 9 . 1 1 545 545 GLU CB C 545 29.517 29.517 29.768 -0.251 19052 2496 1 9 . 1 1 545 545 GLU H H 545 7.880 7.880 8.226 -0.346 19052 2497 1 9 . 1 1 546 546 GLY N N 546 107.283 107.283 108.280 -0.997 19052 2498 1 9 . 1 1 546 546 GLY C C 546 175.638 175.638 174.364 1.274 19052 2499 1 9 . 1 1 546 546 GLY CA C 546 46.241 46.241 46.507 -0.266 19052 2500 1 9 . 1 1 546 546 GLY H H 546 8.028 8.028 8.325 -0.297 19052 2501 1 9 . 1 1 547 547 LEU N N 547 119.944 119.944 112.313 7.631 19052 2502 1 9 . 1 1 547 547 LEU HA H 547 4.127 4.127 4.863 -0.736 19052 2503 1 9 . 1 1 547 547 LEU C C 547 172.747 172.747 176.177 -3.430 19052 2504 1 9 . 1 1 547 547 LEU CA C 547 56.418 56.418 55.387 1.031 19052 2505 1 9 . 1 1 547 547 LEU CB C 547 42.717 42.717 43.656 -0.939 19052 2506 1 9 . 1 1 547 547 LEU H H 547 7.865 7.865 8.103 -0.238 19052 2507 1 9 . 1 1 548 548 MET N N 548 115.796 115.796 115.582 0.214 19052 2508 1 9 . 1 1 548 548 MET HA H 548 4.231 4.231 4.496 -0.265 19052 2509 1 9 . 1 1 548 548 MET C C 548 173.854 173.854 175.963 -2.109 19052 2510 1 9 . 1 1 548 548 MET CA C 548 55.914 55.914 56.180 -0.266 19052 2511 1 9 . 1 1 548 548 MET CB C 548 32.474 32.474 33.733 -1.258 19052 2512 1 9 . 1 1 548 548 MET H H 548 7.958 7.958 8.519 -0.561 19052 2513 1 9 . 1 1 549 549 HIS N N 549 116.928 116.928 119.161 -2.233 19052 2514 1 9 . 1 1 549 549 HIS HA H 549 4.572 4.572 4.515 0.057 19052 2515 1 9 . 1 1 549 549 HIS C C 549 175.817 175.817 176.435 -0.618 19052 2516 1 9 . 1 1 549 549 HIS CA C 549 55.746 55.746 58.416 -2.670 19052 2517 1 9 . 1 1 549 549 HIS CB C 549 28.918 28.918 29.041 -0.123 19052 2518 1 9 . 1 1 549 549 HIS H H 549 8.059 8.059 8.547 -0.488 19052 2519 1 9 . 1 1 550 550 ASN N N 550 118.413 118.413 116.418 1.995 19052 2520 1 9 . 1 1 550 550 ASN HA H 550 4.554 4.554 4.635 -0.081 19052 2521 1 9 . 1 1 550 550 ASN C C 550 174.738 174.738 175.625 -0.887 19052 2522 1 9 . 1 1 550 550 ASN CA C 550 53.874 53.874 52.797 1.077 19052 2523 1 9 . 1 1 550 550 ASN CB C 550 38.883 38.883 38.478 0.405 19052 2524 1 9 . 1 1 550 550 ASN H H 550 8.222 8.222 8.594 -0.372 19052 2525 1 9 . 1 1 551 551 GLN N N 551 119.844 119.844 118.353 1.491 19052 2526 1 9 . 1 1 551 551 GLN HA H 551 4.217 4.217 4.155 0.062 19052 2527 1 9 . 1 1 551 551 GLN C C 551 173.745 173.745 175.006 -1.261 19052 2528 1 9 . 1 1 551 551 GLN CA C 551 56.477 56.477 56.926 -0.449 19052 2529 1 9 . 1 1 551 551 GLN CB C 551 29.046 29.046 29.143 -0.097 19052 2530 1 9 . 1 1 551 551 GLN H H 551 8.336 8.336 7.605 0.731 19052 2531 1 9 . 1 1 552 552 ASP N N 552 119.497 119.497 116.273 3.224 19052 2532 1 9 . 1 1 552 552 ASP HA H 552 4.434 4.434 4.748 -0.314 19052 2533 1 9 . 1 1 552 552 ASP C C 552 173.446 173.446 175.943 -2.497 19052 2534 1 9 . 1 1 552 552 ASP CA C 552 55.146 55.146 53.673 1.473 19052 2535 1 9 . 1 1 552 552 ASP CB C 552 41.174 41.174 42.166 -0.992 19052 2536 1 9 . 1 1 552 552 ASP H H 552 8.192 8.192 8.399 -0.207 19052 2537 1 9 . 1 1 553 553 GLY N N 553 107.920 107.920 108.581 -0.661 19052 2538 1 9 . 1 1 553 553 GLY C C 553 175.627 175.627 175.275 0.352 19052 2539 1 9 . 1 1 553 553 GLY CA C 553 45.791 45.791 46.255 -0.464 19052 2540 1 9 . 1 1 553 553 GLY H H 553 8.114 8.114 8.704 -0.590 19052 2541 1 9 . 1 1 554 554 LEU N N 554 121.436 121.436 116.514 4.922 19052 2542 1 9 . 1 1 554 554 LEU HA H 554 4.150 4.150 4.108 0.042 19052 2543 1 9 . 1 1 554 554 LEU C C 554 172.742 172.742 177.772 -5.030 19052 2544 1 9 . 1 1 554 554 LEU CA C 554 56.520 56.520 56.863 -0.343 19052 2545 1 9 . 1 1 554 554 LEU CB C 554 42.857 42.857 41.721 1.136 19052 2546 1 9 . 1 1 554 554 LEU H H 554 8.055 8.055 7.872 0.183 19052 2547 1 9 . 1 1 555 555 ILE N N 555 117.147 117.147 115.346 1.801 19052 2548 1 9 . 1 1 555 555 ILE HA H 555 3.947 3.947 3.868 0.079 19052 2549 1 9 . 1 1 555 555 ILE C C 555 174.354 174.354 177.190 -2.836 19052 2550 1 9 . 1 1 555 555 ILE CA C 555 62.214 62.214 62.046 0.168 19052 2551 1 9 . 1 1 555 555 ILE CB C 555 38.447 38.447 37.142 1.304 19052 2552 1 9 . 1 1 555 555 ILE H H 555 7.946 7.946 7.695 0.251 19052 2553 1 9 . 1 1 556 556 CYS N N 556 119.354 119.354 124.724 -5.370 19052 2554 1 9 . 1 1 556 556 CYS HA H 556 4.439 4.439 4.419 0.020 19052 2555 1 9 . 1 1 556 556 CYS C C 556 174.864 174.864 176.441 -1.577 19052 2556 1 9 . 1 1 556 556 CYS CA C 556 55.915 55.915 59.079 -3.164 19052 2557 1 9 . 1 1 556 556 CYS CB C 556 40.902 40.902 27.927 12.975 19052 2558 1 9 . 1 1 556 556 CYS H H 556 8.193 8.193 9.118 -0.925 19052 2559 1 9 . 1 1 557 557 GLY N N 557 108.370 108.370 108.008 0.362 19052 2560 1 9 . 1 1 557 557 GLY C C 557 176.365 176.365 174.369 1.996 19052 2561 1 9 . 1 1 557 557 GLY CA C 557 45.923 45.923 46.534 -0.611 19052 2562 1 9 . 1 1 557 557 GLY H H 557 8.112 8.112 8.594 -0.482 19052 2563 1 9 . 1 1 558 558 LEU N N 558 120.302 120.302 113.857 6.445 19052 2564 1 9 . 1 1 558 558 LEU HA H 558 4.209 4.209 4.584 -0.375 19052 2565 1 9 . 1 1 558 558 LEU C C 558 173.387 173.387 174.793 -1.406 19052 2566 1 9 . 1 1 558 558 LEU CA C 558 55.568 55.568 55.252 0.316 19052 2567 1 9 . 1 1 558 558 LEU CB C 558 42.943 42.943 43.495 -0.552 19052 2568 1 9 . 1 1 558 558 LEU H H 558 7.816 7.816 7.867 -0.051 19052 2569 1 9 . 1 1 559 559 ARG N N 559 119.826 119.826 116.755 3.071 19052 2570 1 9 . 1 1 559 559 ARG HA H 559 4.246 4.246 4.349 -0.103 19052 2571 1 9 . 1 1 559 559 ARG C C 559 175.047 175.047 173.992 1.055 19052 2572 1 9 . 1 1 559 559 ARG CA C 559 55.858 55.858 55.998 -0.140 19052 2573 1 9 . 1 1 559 559 ARG CB C 559 30.806 30.806 29.674 1.132 19052 2574 1 9 . 1 1 559 559 ARG H H 559 7.996 7.996 7.901 0.095 19052 2575 1 10 . 1 1 508 508 GLN N N 508 120.688 120.688 121.016 -0.328 19052 2576 1 10 . 1 1 508 508 GLN HA H 508 4.590 4.590 4.692 -0.102 19052 2577 1 10 . 1 1 508 508 GLN CA C 508 53.781 53.781 54.340 -0.559 19052 2578 1 10 . 1 1 508 508 GLN CB C 508 29.074 29.074 30.297 -1.223 19052 2579 1 10 . 1 1 508 508 GLN H H 508 8.558 8.558 8.469 0.089 19052 2580 1 10 . 1 1 509 509 PRO HA H 509 4.322 4.322 4.543 -0.221 19052 2581 1 10 . 1 1 509 509 PRO C C 509 173.716 173.716 176.074 -2.358 19052 2582 1 10 . 1 1 509 509 PRO CA C 509 63.284 63.284 62.893 0.391 19052 2583 1 10 . 1 1 509 509 PRO CB C 509 32.273 32.273 32.039 0.234 19052 2584 1 10 . 1 1 510 510 LYS N N 510 121.212 121.212 117.657 3.555 19052 2585 1 10 . 1 1 510 510 LYS HA H 510 4.205 4.205 4.125 0.080 19052 2586 1 10 . 1 1 510 510 LYS C C 510 173.988 173.988 175.818 -1.830 19052 2587 1 10 . 1 1 510 510 LYS CA C 510 56.301 56.301 56.970 -0.669 19052 2588 1 10 . 1 1 510 510 LYS CB C 510 33.419 33.419 30.988 2.431 19052 2589 1 10 . 1 1 510 510 LYS H H 510 8.322 8.322 8.233 0.089 19052 2590 1 10 . 1 1 511 511 CYS N N 511 119.342 119.342 112.803 6.539 19052 2591 1 10 . 1 1 511 511 CYS HA H 511 4.558 4.558 4.609 -0.051 19052 2592 1 10 . 1 1 511 511 CYS C C 511 176.901 176.901 173.820 3.081 19052 2593 1 10 . 1 1 511 511 CYS CA C 511 55.516 55.516 56.868 -1.352 19052 2594 1 10 . 1 1 511 511 CYS CB C 511 41.836 41.836 27.020 14.816 19052 2595 1 10 . 1 1 511 511 CYS H H 511 8.269 8.269 8.189 0.080 19052 2596 1 10 . 1 1 512 512 ASN N N 512 122.311 122.311 118.762 3.549 19052 2597 1 10 . 1 1 512 512 ASN HA H 512 4.890 4.890 5.120 -0.230 19052 2598 1 10 . 1 1 512 512 ASN CA C 512 51.259 51.259 51.364 -0.105 19052 2599 1 10 . 1 1 512 512 ASN CB C 512 39.388 39.388 38.795 0.593 19052 2600 1 10 . 1 1 512 512 ASN H H 512 8.605 8.605 7.927 0.678 19052 2601 1 10 . 1 1 513 513 PRO HA H 513 4.295 4.295 4.419 -0.124 19052 2602 1 10 . 1 1 513 513 PRO C C 513 173.951 173.951 176.332 -2.381 19052 2603 1 10 . 1 1 513 513 PRO CA C 513 63.657 63.657 63.994 -0.337 19052 2604 1 10 . 1 1 513 513 PRO CB C 513 32.188 32.188 32.370 -0.182 19052 2605 1 10 . 1 1 514 514 ASN N N 514 117.512 117.512 113.556 3.956 19052 2606 1 10 . 1 1 514 514 ASN HA H 514 4.539 4.539 4.737 -0.198 19052 2607 1 10 . 1 1 514 514 ASN C C 514 175.348 175.348 173.895 1.453 19052 2608 1 10 . 1 1 514 514 ASN CA C 514 53.557 53.557 53.199 0.358 19052 2609 1 10 . 1 1 514 514 ASN CB C 514 39.195 39.195 40.692 -1.497 19052 2610 1 10 . 1 1 514 514 ASN H H 514 8.288 8.288 8.342 -0.054 19052 2611 1 10 . 1 1 515 515 LEU N N 515 121.066 121.066 115.210 5.856 19052 2612 1 10 . 1 1 515 515 LEU HA H 515 4.157 4.157 3.995 0.162 19052 2613 1 10 . 1 1 515 515 LEU C C 515 173.686 173.686 175.412 -1.726 19052 2614 1 10 . 1 1 515 515 LEU CA C 515 55.344 55.344 55.527 -0.183 19052 2615 1 10 . 1 1 515 515 LEU CB C 515 42.525 42.525 40.000 2.525 19052 2616 1 10 . 1 1 515 515 LEU H H 515 7.773 7.773 7.712 0.061 19052 2617 1 10 . 1 1 516 516 HIS N N 516 117.512 117.512 116.009 1.503 19052 2618 1 10 . 1 1 516 516 HIS HA H 516 4.438 4.438 4.588 -0.150 19052 2619 1 10 . 1 1 516 516 HIS C C 516 175.736 175.736 175.495 0.241 19052 2620 1 10 . 1 1 516 516 HIS CA C 516 55.806 55.806 56.095 -0.289 19052 2621 1 10 . 1 1 516 516 HIS CB C 516 28.903 28.903 30.464 -1.561 19052 2622 1 10 . 1 1 516 516 HIS H H 516 8.109 8.109 8.563 -0.454 19052 2623 1 10 . 1 1 517 517 TYR N N 517 120.068 120.068 116.378 3.690 19052 2624 1 10 . 1 1 517 517 TYR HA H 517 4.206 4.206 4.429 -0.223 19052 2625 1 10 . 1 1 517 517 TYR C C 517 174.847 174.847 175.433 -0.586 19052 2626 1 10 . 1 1 517 517 TYR CA C 517 59.252 59.252 56.718 2.534 19052 2627 1 10 . 1 1 517 517 TYR CB C 517 39.066 39.066 37.671 1.395 19052 2628 1 10 . 1 1 517 517 TYR H H 517 8.070 8.070 7.528 0.542 19052 2629 1 10 . 1 1 518 518 TRP N N 518 118.503 118.503 122.174 -3.671 19052 2630 1 10 . 1 1 518 518 TRP HA H 518 4.549 4.549 4.705 -0.156 19052 2631 1 10 . 1 1 518 518 TRP C C 518 174.443 174.443 176.519 -2.076 19052 2632 1 10 . 1 1 518 518 TRP CA C 518 57.822 57.822 56.225 1.597 19052 2633 1 10 . 1 1 518 518 TRP CB C 518 29.912 29.912 31.479 -1.567 19052 2634 1 10 . 1 1 518 518 TRP H H 518 7.641 7.641 7.463 0.178 19052 2635 1 10 . 1 1 519 519 THR N N 519 112.242 112.242 118.796 -6.554 19052 2636 1 10 . 1 1 519 519 THR HA H 519 4.340 4.340 3.782 0.558 19052 2637 1 10 . 1 1 519 519 THR C C 519 175.579 175.579 174.695 0.884 19052 2638 1 10 . 1 1 519 519 THR CA C 519 61.791 61.791 65.299 -3.508 19052 2639 1 10 . 1 1 519 519 THR CB C 519 70.049 70.049 68.844 1.205 19052 2640 1 10 . 1 1 519 519 THR H H 519 7.887 7.887 8.196 -0.309 19052 2641 1 10 . 1 1 520 520 THR N N 520 114.383 114.383 109.509 4.874 19052 2642 1 10 . 1 1 520 520 THR HA H 520 4.245 4.245 4.325 -0.080 19052 2643 1 10 . 1 1 520 520 THR C C 520 175.402 175.402 172.533 2.869 19052 2644 1 10 . 1 1 520 520 THR CA C 520 62.140 62.140 62.920 -0.780 19052 2645 1 10 . 1 1 520 520 THR CB C 520 69.994 69.994 68.919 1.075 19052 2646 1 10 . 1 1 520 520 THR H H 520 7.936 7.936 7.543 0.393 19052 2647 1 10 . 1 1 521 521 GLN N N 521 121.482 121.482 121.679 -0.197 19052 2648 1 10 . 1 1 521 521 GLN HA H 521 4.167 4.167 4.208 -0.041 19052 2649 1 10 . 1 1 521 521 GLN C C 521 174.280 174.280 175.338 -1.058 19052 2650 1 10 . 1 1 521 521 GLN CA C 521 56.569 56.569 56.361 0.208 19052 2651 1 10 . 1 1 521 521 GLN CB C 521 29.357 29.357 29.318 0.039 19052 2652 1 10 . 1 1 521 521 GLN H H 521 8.238 8.238 8.036 0.202 19052 2653 1 10 . 1 1 522 522 ASP N N 522 120.331 120.331 119.103 1.228 19052 2654 1 10 . 1 1 522 522 ASP HA H 522 4.436 4.436 4.335 0.101 19052 2655 1 10 . 1 1 522 522 ASP C C 522 173.622 173.622 176.245 -2.623 19052 2656 1 10 . 1 1 522 522 ASP CA C 522 55.067 55.067 54.713 0.354 19052 2657 1 10 . 1 1 522 522 ASP CB C 522 41.079 41.079 39.496 1.583 19052 2658 1 10 . 1 1 522 522 ASP H H 522 8.151 8.151 8.682 -0.531 19052 2659 1 10 . 1 1 523 523 GLU N N 523 120.580 120.580 121.876 -1.296 19052 2660 1 10 . 1 1 523 523 GLU HA H 523 4.086 4.086 4.162 -0.076 19052 2661 1 10 . 1 1 523 523 GLU C C 523 173.037 173.037 176.221 -3.184 19052 2662 1 10 . 1 1 523 523 GLU CA C 523 57.580 57.580 55.122 2.458 19052 2663 1 10 . 1 1 523 523 GLU CB C 523 29.542 29.542 27.293 2.249 19052 2664 1 10 . 1 1 523 523 GLU H H 523 8.261 8.261 8.277 -0.016 19052 2665 1 10 . 1 1 524 524 GLY N N 524 108.383 108.383 109.452 -1.069 19052 2666 1 10 . 1 1 524 524 GLY C C 524 175.981 175.981 173.965 2.016 19052 2667 1 10 . 1 1 524 524 GLY CA C 524 45.936 45.936 45.204 0.732 19052 2668 1 10 . 1 1 524 524 GLY H H 524 8.287 8.287 7.929 0.358 19052 2669 1 10 . 1 1 525 525 ALA N N 525 122.951 122.951 123.931 -0.980 19052 2670 1 10 . 1 1 525 525 ALA HA H 525 4.150 4.150 4.351 -0.201 19052 2671 1 10 . 1 1 525 525 ALA C C 525 172.507 172.507 177.358 -4.851 19052 2672 1 10 . 1 1 525 525 ALA CA C 525 53.068 53.068 51.344 1.724 19052 2673 1 10 . 1 1 525 525 ALA CB C 525 19.406 19.406 16.707 2.699 19052 2674 1 10 . 1 1 525 525 ALA H H 525 7.846 7.846 7.872 -0.026 19052 2675 1 10 . 1 1 526 526 ALA N N 526 122.022 122.022 121.771 0.251 19052 2676 1 10 . 1 1 526 526 ALA HA H 526 4.181 4.181 3.876 0.305 19052 2677 1 10 . 1 1 526 526 ALA C C 526 172.070 172.070 176.304 -4.234 19052 2678 1 10 . 1 1 526 526 ALA CA C 526 53.158 53.158 52.911 0.247 19052 2679 1 10 . 1 1 526 526 ALA CB C 526 19.271 19.271 17.770 1.501 19052 2680 1 10 . 1 1 526 526 ALA H H 526 8.014 8.014 8.439 -0.425 19052 2681 1 10 . 1 1 527 527 ILE N N 527 118.520 118.520 118.676 -0.156 19052 2682 1 10 . 1 1 527 527 ILE HA H 527 3.887 3.887 4.026 -0.139 19052 2683 1 10 . 1 1 527 527 ILE C C 527 173.664 173.664 176.149 -2.485 19052 2684 1 10 . 1 1 527 527 ILE CA C 527 62.221 62.221 62.064 0.157 19052 2685 1 10 . 1 1 527 527 ILE CB C 527 38.735 38.735 38.334 0.401 19052 2686 1 10 . 1 1 527 527 ILE H H 527 7.907 7.907 7.940 -0.033 19052 2687 1 10 . 1 1 528 528 GLY N N 528 109.901 109.901 109.635 0.266 19052 2688 1 10 . 1 1 528 528 GLY C C 528 175.853 175.853 174.720 1.133 19052 2689 1 10 . 1 1 528 528 GLY CA C 528 46.143 46.143 45.918 0.225 19052 2690 1 10 . 1 1 528 528 GLY H H 528 8.251 8.251 8.501 -0.250 19052 2691 1 10 . 1 1 529 529 ALA N N 529 122.244 122.244 121.020 1.224 19052 2692 1 10 . 1 1 529 529 ALA HA H 529 3.997 3.997 3.884 0.113 19052 2693 1 10 . 1 1 529 529 ALA C C 529 171.603 171.603 176.452 -4.849 19052 2694 1 10 . 1 1 529 529 ALA CA C 529 54.036 54.036 53.030 1.006 19052 2695 1 10 . 1 1 529 529 ALA CB C 529 19.173 19.173 17.547 1.626 19052 2696 1 10 . 1 1 529 529 ALA H H 529 7.968 7.968 7.382 0.586 19052 2697 1 10 . 1 1 530 530 ALA N N 530 119.150 119.150 118.159 0.991 19052 2698 1 10 . 1 1 530 530 ALA HA H 530 4.055 4.055 3.738 0.317 19052 2699 1 10 . 1 1 530 530 ALA C C 530 172.413 172.413 175.913 -3.500 19052 2700 1 10 . 1 1 530 530 ALA CA C 530 53.591 53.591 51.413 2.178 19052 2701 1 10 . 1 1 530 530 ALA CB C 530 19.102 19.102 18.686 0.416 19052 2702 1 10 . 1 1 530 530 ALA H H 530 8.161 8.161 7.530 0.631 19052 2703 1 10 . 1 1 531 531 TRP N N 531 115.703 115.703 115.658 0.045 19052 2704 1 10 . 1 1 531 531 TRP HA H 531 4.525 4.525 4.223 0.302 19052 2705 1 10 . 1 1 531 531 TRP C C 531 173.708 173.708 174.850 -1.142 19052 2706 1 10 . 1 1 531 531 TRP CA C 531 57.449 57.449 56.864 0.585 19052 2707 1 10 . 1 1 531 531 TRP CB C 531 30.079 30.079 26.274 3.805 19052 2708 1 10 . 1 1 531 531 TRP H H 531 7.758 7.758 7.960 -0.202 19052 2709 1 10 . 1 1 532 532 ILE N N 532 120.648 120.648 118.181 2.467 19052 2710 1 10 . 1 1 532 532 ILE HA H 532 3.814 3.814 4.394 -0.580 19052 2711 1 10 . 1 1 532 532 ILE CA C 532 63.978 63.978 58.499 5.479 19052 2712 1 10 . 1 1 532 532 ILE CB C 532 37.291 37.291 38.307 -1.016 19052 2713 1 10 . 1 1 532 532 ILE H H 532 7.515 7.515 7.882 -0.367 19052 2714 1 10 . 1 1 533 533 PRO HA H 533 4.199 4.199 4.165 0.034 19052 2715 1 10 . 1 1 533 533 PRO C C 533 173.380 173.380 176.975 -3.595 19052 2716 1 10 . 1 1 533 533 PRO CA C 533 64.877 64.877 65.116 -0.239 19052 2717 1 10 . 1 1 533 533 PRO CB C 533 31.795 31.795 31.030 0.765 19052 2718 1 10 . 1 1 534 534 TYR N N 534 114.701 114.701 117.247 -2.546 19052 2719 1 10 . 1 1 534 534 TYR HA H 534 4.127 4.127 4.194 -0.067 19052 2720 1 10 . 1 1 534 534 TYR C C 534 174.356 174.356 176.920 -2.564 19052 2721 1 10 . 1 1 534 534 TYR CA C 534 60.153 60.153 59.892 0.261 19052 2722 1 10 . 1 1 534 534 TYR CB C 534 38.665 38.665 37.887 0.778 19052 2723 1 10 . 1 1 534 534 TYR H H 534 7.558 7.558 7.956 -0.398 19052 2724 1 10 . 1 1 535 535 PHE N N 535 116.978 116.978 112.581 4.397 19052 2725 1 10 . 1 1 535 535 PHE HA H 535 4.381 4.381 4.947 -0.566 19052 2726 1 10 . 1 1 535 535 PHE C C 535 174.160 174.160 176.187 -2.027 19052 2727 1 10 . 1 1 535 535 PHE CA C 535 59.095 59.095 55.741 3.354 19052 2728 1 10 . 1 1 535 535 PHE CB C 535 40.607 40.607 38.839 1.768 19052 2729 1 10 . 1 1 535 535 PHE H H 535 8.003 8.003 6.911 1.092 19052 2730 1 10 . 1 1 536 536 GLY N N 536 107.091 107.091 112.100 -5.009 19052 2731 1 10 . 1 1 536 536 GLY CA C 536 47.335 47.335 46.643 0.692 19052 2732 1 10 . 1 1 536 536 GLY H H 536 8.130 8.130 8.738 -0.608 19052 2733 1 10 . 1 1 537 537 PRO HA H 537 4.244 4.244 4.538 -0.294 19052 2734 1 10 . 1 1 537 537 PRO C C 537 171.319 171.319 175.408 -4.089 19052 2735 1 10 . 1 1 537 537 PRO CA C 537 65.023 65.023 63.426 1.597 19052 2736 1 10 . 1 1 537 537 PRO CB C 537 31.842 31.842 31.022 0.820 19052 2737 1 10 . 1 1 538 538 ALA N N 538 120.335 120.335 118.202 2.133 19052 2738 1 10 . 1 1 538 538 ALA HA H 538 4.104 4.104 4.585 -0.481 19052 2739 1 10 . 1 1 538 538 ALA C C 538 171.431 171.431 176.222 -4.791 19052 2740 1 10 . 1 1 538 538 ALA CA C 538 54.534 54.534 52.264 2.270 19052 2741 1 10 . 1 1 538 538 ALA CB C 538 18.866 18.866 20.760 -1.894 19052 2742 1 10 . 1 1 538 538 ALA H H 538 7.913 7.913 7.924 -0.011 19052 2743 1 10 . 1 1 539 539 ALA N N 539 120.016 120.016 119.351 0.665 19052 2744 1 10 . 1 1 539 539 ALA HA H 539 3.916 3.916 4.790 -0.874 19052 2745 1 10 . 1 1 539 539 ALA C C 539 171.593 171.593 176.911 -5.318 19052 2746 1 10 . 1 1 539 539 ALA CA C 539 54.669 54.669 52.758 1.911 19052 2747 1 10 . 1 1 539 539 ALA CB C 539 18.929 18.929 20.342 -1.413 19052 2748 1 10 . 1 1 539 539 ALA H H 539 8.105 8.105 7.478 0.627 19052 2749 1 10 . 1 1 540 540 GLU N N 540 116.288 116.288 120.771 -4.483 19052 2750 1 10 . 1 1 540 540 GLU HA H 540 3.922 3.922 4.298 -0.376 19052 2751 1 10 . 1 1 540 540 GLU C C 540 171.649 171.649 177.002 -5.353 19052 2752 1 10 . 1 1 540 540 GLU CA C 540 59.055 59.055 56.337 2.718 19052 2753 1 10 . 1 1 540 540 GLU CB C 540 29.335 29.335 27.708 1.627 19052 2754 1 10 . 1 1 540 540 GLU H H 540 8.081 8.081 8.473 -0.392 19052 2755 1 10 . 1 1 541 541 GLY N N 541 107.262 107.262 109.146 -1.884 19052 2756 1 10 . 1 1 541 541 GLY C C 541 174.868 174.868 174.728 0.140 19052 2757 1 10 . 1 1 541 541 GLY CA C 541 46.506 46.506 45.769 0.737 19052 2758 1 10 . 1 1 541 541 GLY H H 541 8.063 8.063 9.003 -0.940 19052 2759 1 10 . 1 1 542 542 ILE N N 542 120.614 120.614 121.518 -0.904 19052 2760 1 10 . 1 1 542 542 ILE HA H 542 3.760 3.760 3.761 -0.001 19052 2761 1 10 . 1 1 542 542 ILE C C 542 173.000 173.000 176.812 -3.812 19052 2762 1 10 . 1 1 542 542 ILE CA C 542 64.103 64.103 64.190 -0.087 19052 2763 1 10 . 1 1 542 542 ILE CB C 542 38.394 38.394 38.229 0.165 19052 2764 1 10 . 1 1 542 542 ILE H H 542 7.843 7.843 8.179 -0.336 19052 2765 1 10 . 1 1 543 543 TYR N N 543 120.210 120.210 118.265 1.945 19052 2766 1 10 . 1 1 543 543 TYR HA H 543 4.178 4.178 4.078 0.100 19052 2767 1 10 . 1 1 543 543 TYR C C 543 173.268 173.268 176.590 -3.322 19052 2768 1 10 . 1 1 543 543 TYR CA C 543 60.547 60.547 59.627 0.920 19052 2769 1 10 . 1 1 543 543 TYR CB C 543 38.923 38.923 36.174 2.749 19052 2770 1 10 . 1 1 543 543 TYR H H 543 8.027 8.027 8.598 -0.571 19052 2771 1 10 . 1 1 544 544 ALA N N 544 121.025 121.025 120.402 0.623 19052 2772 1 10 . 1 1 544 544 ALA HA H 544 3.953 3.953 3.546 0.407 19052 2773 1 10 . 1 1 544 544 ALA C C 544 171.072 171.072 179.148 -8.076 19052 2774 1 10 . 1 1 544 544 ALA CA C 544 54.440 54.440 53.927 0.513 19052 2775 1 10 . 1 1 544 544 ALA CB C 544 19.028 19.028 17.712 1.316 19052 2776 1 10 . 1 1 544 544 ALA H H 544 8.079 8.079 7.215 0.864 19052 2777 1 10 . 1 1 545 545 GLU N N 545 116.132 116.132 118.096 -1.964 19052 2778 1 10 . 1 1 545 545 GLU HA H 545 4.096 4.096 4.081 0.015 19052 2779 1 10 . 1 1 545 545 GLU C C 545 172.525 172.525 178.489 -5.964 19052 2780 1 10 . 1 1 545 545 GLU CA C 545 57.355 57.355 57.403 -0.048 19052 2781 1 10 . 1 1 545 545 GLU CB C 545 29.517 29.517 30.023 -0.506 19052 2782 1 10 . 1 1 545 545 GLU H H 545 7.880 7.880 8.089 -0.209 19052 2783 1 10 . 1 1 546 546 GLY N N 546 107.283 107.283 107.876 -0.593 19052 2784 1 10 . 1 1 546 546 GLY C C 546 175.638 175.638 174.941 0.697 19052 2785 1 10 . 1 1 546 546 GLY CA C 546 46.241 46.241 46.592 -0.351 19052 2786 1 10 . 1 1 546 546 GLY H H 546 8.028 8.028 8.184 -0.156 19052 2787 1 10 . 1 1 547 547 LEU N N 547 119.944 119.944 114.012 5.932 19052 2788 1 10 . 1 1 547 547 LEU HA H 547 4.127 4.127 4.504 -0.377 19052 2789 1 10 . 1 1 547 547 LEU C C 547 172.747 172.747 177.056 -4.309 19052 2790 1 10 . 1 1 547 547 LEU CA C 547 56.418 56.418 56.095 0.323 19052 2791 1 10 . 1 1 547 547 LEU CB C 547 42.717 42.717 42.157 0.560 19052 2792 1 10 . 1 1 547 547 LEU H H 547 7.865 7.865 7.879 -0.014 19052 2793 1 10 . 1 1 548 548 MET N N 548 115.796 115.796 112.885 2.911 19052 2794 1 10 . 1 1 548 548 MET HA H 548 4.231 4.231 4.551 -0.320 19052 2795 1 10 . 1 1 548 548 MET C C 548 173.854 173.854 177.586 -3.732 19052 2796 1 10 . 1 1 548 548 MET CA C 548 55.914 55.914 56.807 -0.893 19052 2797 1 10 . 1 1 548 548 MET CB C 548 32.474 32.474 32.550 -0.076 19052 2798 1 10 . 1 1 548 548 MET H H 548 7.958 7.958 7.724 0.234 19052 2799 1 10 . 1 1 549 549 HIS N N 549 116.928 116.928 120.590 -3.662 19052 2800 1 10 . 1 1 549 549 HIS HA H 549 4.572 4.572 4.572 -0.000 19052 2801 1 10 . 1 1 549 549 HIS C C 549 175.817 175.817 176.573 -0.756 19052 2802 1 10 . 1 1 549 549 HIS CA C 549 55.746 55.746 58.719 -2.973 19052 2803 1 10 . 1 1 549 549 HIS CB C 549 28.918 28.918 29.207 -0.289 19052 2804 1 10 . 1 1 549 549 HIS H H 549 8.059 8.059 8.677 -0.618 19052 2805 1 10 . 1 1 550 550 ASN N N 550 118.413 118.413 115.259 3.154 19052 2806 1 10 . 1 1 550 550 ASN HA H 550 4.554 4.554 4.534 0.020 19052 2807 1 10 . 1 1 550 550 ASN C C 550 174.738 174.738 175.541 -0.803 19052 2808 1 10 . 1 1 550 550 ASN CA C 550 53.874 53.874 53.794 0.080 19052 2809 1 10 . 1 1 550 550 ASN CB C 550 38.883 38.883 38.312 0.571 19052 2810 1 10 . 1 1 550 550 ASN H H 550 8.222 8.222 8.536 -0.314 19052 2811 1 10 . 1 1 551 551 GLN N N 551 119.844 119.844 118.274 1.570 19052 2812 1 10 . 1 1 551 551 GLN HA H 551 4.217 4.217 4.186 0.031 19052 2813 1 10 . 1 1 551 551 GLN C C 551 173.745 173.745 175.266 -1.521 19052 2814 1 10 . 1 1 551 551 GLN CA C 551 56.477 56.477 56.664 -0.187 19052 2815 1 10 . 1 1 551 551 GLN CB C 551 29.046 29.046 28.998 0.047 19052 2816 1 10 . 1 1 551 551 GLN H H 551 8.336 8.336 7.559 0.777 19052 2817 1 10 . 1 1 552 552 ASP N N 552 119.497 119.497 117.146 2.351 19052 2818 1 10 . 1 1 552 552 ASP HA H 552 4.434 4.434 4.731 -0.297 19052 2819 1 10 . 1 1 552 552 ASP C C 552 173.446 173.446 176.348 -2.902 19052 2820 1 10 . 1 1 552 552 ASP CA C 552 55.146 55.146 54.244 0.902 19052 2821 1 10 . 1 1 552 552 ASP CB C 552 41.174 41.174 43.187 -2.013 19052 2822 1 10 . 1 1 552 552 ASP H H 552 8.192 8.192 8.515 -0.323 19052 2823 1 10 . 1 1 553 553 GLY N N 553 107.920 107.920 107.530 0.390 19052 2824 1 10 . 1 1 553 553 GLY C C 553 175.627 175.627 174.769 0.858 19052 2825 1 10 . 1 1 553 553 GLY CA C 553 45.791 45.791 45.043 0.748 19052 2826 1 10 . 1 1 553 553 GLY H H 553 8.114 8.114 7.777 0.337 19052 2827 1 10 . 1 1 554 554 LEU N N 554 121.436 121.436 116.780 4.656 19052 2828 1 10 . 1 1 554 554 LEU HA H 554 4.150 4.150 4.116 0.034 19052 2829 1 10 . 1 1 554 554 LEU C C 554 172.742 172.742 176.763 -4.021 19052 2830 1 10 . 1 1 554 554 LEU CA C 554 56.520 56.520 56.573 -0.053 19052 2831 1 10 . 1 1 554 554 LEU CB C 554 42.857 42.857 41.421 1.436 19052 2832 1 10 . 1 1 554 554 LEU H H 554 8.055 8.055 7.759 0.296 19052 2833 1 10 . 1 1 555 555 ILE N N 555 117.147 117.147 114.867 2.280 19052 2834 1 10 . 1 1 555 555 ILE HA H 555 3.947 3.947 3.789 0.158 19052 2835 1 10 . 1 1 555 555 ILE C C 555 174.354 174.354 177.113 -2.759 19052 2836 1 10 . 1 1 555 555 ILE CA C 555 62.214 62.214 61.504 0.710 19052 2837 1 10 . 1 1 555 555 ILE CB C 555 38.447 38.447 35.610 2.837 19052 2838 1 10 . 1 1 555 555 ILE H H 555 7.946 7.946 7.915 0.031 19052 2839 1 10 . 1 1 556 556 CYS N N 556 119.354 119.354 125.131 -5.777 19052 2840 1 10 . 1 1 556 556 CYS HA H 556 4.439 4.439 4.303 0.136 19052 2841 1 10 . 1 1 556 556 CYS C C 556 174.864 174.864 176.094 -1.230 19052 2842 1 10 . 1 1 556 556 CYS CA C 556 55.915 55.915 60.519 -4.604 19052 2843 1 10 . 1 1 556 556 CYS CB C 556 40.902 40.902 27.900 13.002 19052 2844 1 10 . 1 1 556 556 CYS H H 556 8.193 8.193 9.033 -0.840 19052 2845 1 10 . 1 1 557 557 GLY N N 557 108.370 108.370 107.444 0.926 19052 2846 1 10 . 1 1 557 557 GLY C C 557 176.365 176.365 174.034 2.331 19052 2847 1 10 . 1 1 557 557 GLY CA C 557 45.923 45.923 45.522 0.401 19052 2848 1 10 . 1 1 557 557 GLY H H 557 8.112 8.112 8.410 -0.298 19052 2849 1 10 . 1 1 558 558 LEU N N 558 120.302 120.302 116.745 3.557 19052 2850 1 10 . 1 1 558 558 LEU HA H 558 4.209 4.209 4.427 -0.218 19052 2851 1 10 . 1 1 558 558 LEU C C 558 173.387 173.387 175.481 -2.094 19052 2852 1 10 . 1 1 558 558 LEU CA C 558 55.568 55.568 54.843 0.726 19052 2853 1 10 . 1 1 558 558 LEU CB C 558 42.943 42.943 42.312 0.631 19052 2854 1 10 . 1 1 558 558 LEU H H 558 7.816 7.816 7.666 0.150 19052 2855 1 10 . 1 1 559 559 ARG N N 559 119.826 119.826 117.498 2.328 19052 2856 1 10 . 1 1 559 559 ARG HA H 559 4.246 4.246 4.067 0.179 19052 2857 1 10 . 1 1 559 559 ARG C C 559 175.047 175.047 175.156 -0.109 19052 2858 1 10 . 1 1 559 559 ARG CA C 559 55.858 55.858 57.069 -1.211 19052 2859 1 10 . 1 1 559 559 ARG CB C 559 30.806 30.806 29.283 1.523 19052 2860 1 10 . 1 1 559 559 ARG H H 559 7.996 7.996 8.252 -0.256 19052 2861 1 11 . 1 1 508 508 GLN N N 508 120.688 120.688 119.901 0.787 19052 2862 1 11 . 1 1 508 508 GLN HA H 508 4.590 4.590 4.542 0.048 19052 2863 1 11 . 1 1 508 508 GLN CA C 508 53.781 53.781 54.486 -0.705 19052 2864 1 11 . 1 1 508 508 GLN CB C 508 29.074 29.074 28.786 0.288 19052 2865 1 11 . 1 1 508 508 GLN H H 508 8.558 8.558 8.511 0.047 19052 2866 1 11 . 1 1 509 509 PRO HA H 509 4.322 4.322 4.467 -0.145 19052 2867 1 11 . 1 1 509 509 PRO C C 509 173.716 173.716 176.042 -2.326 19052 2868 1 11 . 1 1 509 509 PRO CA C 509 63.284 63.284 62.613 0.671 19052 2869 1 11 . 1 1 509 509 PRO CB C 509 32.273 32.273 31.596 0.677 19052 2870 1 11 . 1 1 510 510 LYS N N 510 121.212 121.212 117.328 3.884 19052 2871 1 11 . 1 1 510 510 LYS HA H 510 4.205 4.205 4.083 0.122 19052 2872 1 11 . 1 1 510 510 LYS C C 510 173.988 173.988 175.635 -1.647 19052 2873 1 11 . 1 1 510 510 LYS CA C 510 56.301 56.301 56.495 -0.195 19052 2874 1 11 . 1 1 510 510 LYS CB C 510 33.419 33.419 31.258 2.161 19052 2875 1 11 . 1 1 510 510 LYS H H 510 8.322 8.322 8.332 -0.010 19052 2876 1 11 . 1 1 511 511 CYS N N 511 119.342 119.342 114.778 4.564 19052 2877 1 11 . 1 1 511 511 CYS HA H 511 4.558 4.558 4.622 -0.064 19052 2878 1 11 . 1 1 511 511 CYS C C 511 176.901 176.901 174.122 2.779 19052 2879 1 11 . 1 1 511 511 CYS CA C 511 55.516 55.516 57.000 -1.484 19052 2880 1 11 . 1 1 511 511 CYS CB C 511 41.836 41.836 27.242 14.594 19052 2881 1 11 . 1 1 511 511 CYS H H 511 8.269 8.269 8.303 -0.034 19052 2882 1 11 . 1 1 512 512 ASN N N 512 122.311 122.311 121.025 1.286 19052 2883 1 11 . 1 1 512 512 ASN HA H 512 4.890 4.890 4.889 0.001 19052 2884 1 11 . 1 1 512 512 ASN CA C 512 51.259 51.259 51.499 -0.240 19052 2885 1 11 . 1 1 512 512 ASN CB C 512 39.388 39.388 38.166 1.222 19052 2886 1 11 . 1 1 512 512 ASN H H 512 8.605 8.605 8.092 0.513 19052 2887 1 11 . 1 1 513 513 PRO HA H 513 4.295 4.295 4.398 -0.103 19052 2888 1 11 . 1 1 513 513 PRO C C 513 173.951 173.951 176.273 -2.322 19052 2889 1 11 . 1 1 513 513 PRO CA C 513 63.657 63.657 64.095 -0.438 19052 2890 1 11 . 1 1 513 513 PRO CB C 513 32.188 32.188 32.498 -0.310 19052 2891 1 11 . 1 1 514 514 ASN N N 514 117.512 117.512 112.983 4.529 19052 2892 1 11 . 1 1 514 514 ASN HA H 514 4.539 4.539 4.757 -0.218 19052 2893 1 11 . 1 1 514 514 ASN C C 514 175.348 175.348 173.914 1.434 19052 2894 1 11 . 1 1 514 514 ASN CA C 514 53.557 53.557 53.130 0.427 19052 2895 1 11 . 1 1 514 514 ASN CB C 514 39.195 39.195 41.512 -2.317 19052 2896 1 11 . 1 1 514 514 ASN H H 514 8.288 8.288 8.083 0.205 19052 2897 1 11 . 1 1 515 515 LEU N N 515 121.066 121.066 116.585 4.481 19052 2898 1 11 . 1 1 515 515 LEU HA H 515 4.157 4.157 3.894 0.263 19052 2899 1 11 . 1 1 515 515 LEU C C 515 173.686 173.686 175.179 -1.493 19052 2900 1 11 . 1 1 515 515 LEU CA C 515 55.344 55.344 55.581 -0.236 19052 2901 1 11 . 1 1 515 515 LEU CB C 515 42.525 42.525 39.874 2.651 19052 2902 1 11 . 1 1 515 515 LEU H H 515 7.773 7.773 8.239 -0.466 19052 2903 1 11 . 1 1 516 516 HIS N N 516 117.512 117.512 115.753 1.759 19052 2904 1 11 . 1 1 516 516 HIS HA H 516 4.438 4.438 4.635 -0.197 19052 2905 1 11 . 1 1 516 516 HIS C C 516 175.736 175.736 176.108 -0.372 19052 2906 1 11 . 1 1 516 516 HIS CA C 516 55.806 55.806 56.849 -1.044 19052 2907 1 11 . 1 1 516 516 HIS CB C 516 28.903 28.903 30.785 -1.882 19052 2908 1 11 . 1 1 516 516 HIS H H 516 8.109 8.109 8.510 -0.401 19052 2909 1 11 . 1 1 517 517 TYR N N 517 120.068 120.068 117.395 2.673 19052 2910 1 11 . 1 1 517 517 TYR HA H 517 4.206 4.206 4.509 -0.303 19052 2911 1 11 . 1 1 517 517 TYR C C 517 174.847 174.847 175.348 -0.501 19052 2912 1 11 . 1 1 517 517 TYR CA C 517 59.252 59.252 56.809 2.443 19052 2913 1 11 . 1 1 517 517 TYR CB C 517 39.066 39.066 37.617 1.449 19052 2914 1 11 . 1 1 517 517 TYR H H 517 8.070 8.070 7.640 0.430 19052 2915 1 11 . 1 1 518 518 TRP N N 518 118.503 118.503 122.555 -4.052 19052 2916 1 11 . 1 1 518 518 TRP HA H 518 4.549 4.549 4.807 -0.258 19052 2917 1 11 . 1 1 518 518 TRP C C 518 174.443 174.443 176.140 -1.697 19052 2918 1 11 . 1 1 518 518 TRP CA C 518 57.822 57.822 56.368 1.454 19052 2919 1 11 . 1 1 518 518 TRP CB C 518 29.912 29.912 31.865 -1.953 19052 2920 1 11 . 1 1 518 518 TRP H H 518 7.641 7.641 7.194 0.447 19052 2921 1 11 . 1 1 519 519 THR N N 519 112.242 112.242 120.092 -7.850 19052 2922 1 11 . 1 1 519 519 THR HA H 519 4.340 4.340 3.780 0.560 19052 2923 1 11 . 1 1 519 519 THR C C 519 175.579 175.579 174.623 0.956 19052 2924 1 11 . 1 1 519 519 THR CA C 519 61.791 61.791 65.089 -3.298 19052 2925 1 11 . 1 1 519 519 THR CB C 519 70.049 70.049 68.819 1.230 19052 2926 1 11 . 1 1 519 519 THR H H 519 7.887 7.887 8.388 -0.501 19052 2927 1 11 . 1 1 520 520 THR N N 520 114.383 114.383 108.473 5.910 19052 2928 1 11 . 1 1 520 520 THR HA H 520 4.245 4.245 4.296 -0.051 19052 2929 1 11 . 1 1 520 520 THR C C 520 175.402 175.402 172.516 2.886 19052 2930 1 11 . 1 1 520 520 THR CA C 520 62.140 62.140 62.183 -0.043 19052 2931 1 11 . 1 1 520 520 THR CB C 520 69.994 69.994 68.924 1.070 19052 2932 1 11 . 1 1 520 520 THR H H 520 7.936 7.936 7.557 0.379 19052 2933 1 11 . 1 1 521 521 GLN N N 521 121.482 121.482 122.141 -0.659 19052 2934 1 11 . 1 1 521 521 GLN HA H 521 4.167 4.167 4.158 0.009 19052 2935 1 11 . 1 1 521 521 GLN C C 521 174.280 174.280 175.055 -0.775 19052 2936 1 11 . 1 1 521 521 GLN CA C 521 56.569 56.569 56.552 0.017 19052 2937 1 11 . 1 1 521 521 GLN CB C 521 29.357 29.357 29.219 0.138 19052 2938 1 11 . 1 1 521 521 GLN H H 521 8.238 8.238 7.959 0.279 19052 2939 1 11 . 1 1 522 522 ASP N N 522 120.331 120.331 121.648 -1.317 19052 2940 1 11 . 1 1 522 522 ASP HA H 522 4.436 4.436 4.326 0.110 19052 2941 1 11 . 1 1 522 522 ASP C C 522 173.622 173.622 176.485 -2.863 19052 2942 1 11 . 1 1 522 522 ASP CA C 522 55.067 55.067 55.669 -0.602 19052 2943 1 11 . 1 1 522 522 ASP CB C 522 41.079 41.079 39.903 1.176 19052 2944 1 11 . 1 1 522 522 ASP H H 522 8.151 8.151 8.734 -0.583 19052 2945 1 11 . 1 1 523 523 GLU N N 523 120.580 120.580 124.122 -3.542 19052 2946 1 11 . 1 1 523 523 GLU HA H 523 4.086 4.086 4.125 -0.039 19052 2947 1 11 . 1 1 523 523 GLU C C 523 173.037 173.037 176.214 -3.177 19052 2948 1 11 . 1 1 523 523 GLU CA C 523 57.580 57.580 54.857 2.723 19052 2949 1 11 . 1 1 523 523 GLU CB C 523 29.542 29.542 27.180 2.362 19052 2950 1 11 . 1 1 523 523 GLU H H 523 8.261 8.261 8.101 0.160 19052 2951 1 11 . 1 1 524 524 GLY N N 524 108.383 108.383 107.603 0.780 19052 2952 1 11 . 1 1 524 524 GLY C C 524 175.981 175.981 174.401 1.580 19052 2953 1 11 . 1 1 524 524 GLY CA C 524 45.936 45.936 45.023 0.913 19052 2954 1 11 . 1 1 524 524 GLY H H 524 8.287 8.287 7.715 0.572 19052 2955 1 11 . 1 1 525 525 ALA N N 525 122.951 122.951 123.632 -0.681 19052 2956 1 11 . 1 1 525 525 ALA HA H 525 4.150 4.150 4.258 -0.108 19052 2957 1 11 . 1 1 525 525 ALA C C 525 172.507 172.507 177.277 -4.770 19052 2958 1 11 . 1 1 525 525 ALA CA C 525 53.068 53.068 51.298 1.770 19052 2959 1 11 . 1 1 525 525 ALA CB C 525 19.406 19.406 16.773 2.632 19052 2960 1 11 . 1 1 525 525 ALA H H 525 7.846 7.846 8.070 -0.224 19052 2961 1 11 . 1 1 526 526 ALA N N 526 122.022 122.022 121.536 0.486 19052 2962 1 11 . 1 1 526 526 ALA HA H 526 4.181 4.181 3.798 0.383 19052 2963 1 11 . 1 1 526 526 ALA C C 526 172.070 172.070 176.413 -4.343 19052 2964 1 11 . 1 1 526 526 ALA CA C 526 53.158 53.158 52.997 0.161 19052 2965 1 11 . 1 1 526 526 ALA CB C 526 19.271 19.271 17.888 1.383 19052 2966 1 11 . 1 1 526 526 ALA H H 526 8.014 8.014 8.518 -0.504 19052 2967 1 11 . 1 1 527 527 ILE N N 527 118.520 118.520 119.275 -0.755 19052 2968 1 11 . 1 1 527 527 ILE HA H 527 3.887 3.887 4.051 -0.164 19052 2969 1 11 . 1 1 527 527 ILE C C 527 173.664 173.664 176.507 -2.843 19052 2970 1 11 . 1 1 527 527 ILE CA C 527 62.221 62.221 61.891 0.330 19052 2971 1 11 . 1 1 527 527 ILE CB C 527 38.735 38.735 38.134 0.601 19052 2972 1 11 . 1 1 527 527 ILE H H 527 7.907 7.907 8.205 -0.298 19052 2973 1 11 . 1 1 528 528 GLY N N 528 109.901 109.901 109.272 0.629 19052 2974 1 11 . 1 1 528 528 GLY C C 528 175.853 175.853 174.579 1.274 19052 2975 1 11 . 1 1 528 528 GLY CA C 528 46.143 46.143 46.094 0.049 19052 2976 1 11 . 1 1 528 528 GLY H H 528 8.251 8.251 8.220 0.031 19052 2977 1 11 . 1 1 529 529 ALA N N 529 122.244 122.244 121.079 1.165 19052 2978 1 11 . 1 1 529 529 ALA HA H 529 3.997 3.997 3.883 0.114 19052 2979 1 11 . 1 1 529 529 ALA C C 529 171.603 171.603 176.470 -4.867 19052 2980 1 11 . 1 1 529 529 ALA CA C 529 54.036 54.036 53.031 1.005 19052 2981 1 11 . 1 1 529 529 ALA CB C 529 19.173 19.173 17.602 1.571 19052 2982 1 11 . 1 1 529 529 ALA H H 529 7.968 7.968 7.428 0.540 19052 2983 1 11 . 1 1 530 530 ALA N N 530 119.150 119.150 118.133 1.017 19052 2984 1 11 . 1 1 530 530 ALA HA H 530 4.055 4.055 3.730 0.325 19052 2985 1 11 . 1 1 530 530 ALA C C 530 172.413 172.413 175.937 -3.524 19052 2986 1 11 . 1 1 530 530 ALA CA C 530 53.591 53.591 51.411 2.180 19052 2987 1 11 . 1 1 530 530 ALA CB C 530 19.102 19.102 18.689 0.413 19052 2988 1 11 . 1 1 530 530 ALA H H 530 8.161 8.161 7.527 0.634 19052 2989 1 11 . 1 1 531 531 TRP N N 531 115.703 115.703 115.624 0.079 19052 2990 1 11 . 1 1 531 531 TRP HA H 531 4.525 4.525 4.229 0.296 19052 2991 1 11 . 1 1 531 531 TRP C C 531 173.708 173.708 174.888 -1.180 19052 2992 1 11 . 1 1 531 531 TRP CA C 531 57.449 57.449 56.916 0.533 19052 2993 1 11 . 1 1 531 531 TRP CB C 531 30.079 30.079 26.283 3.796 19052 2994 1 11 . 1 1 531 531 TRP H H 531 7.758 7.758 7.975 -0.217 19052 2995 1 11 . 1 1 532 532 ILE N N 532 120.648 120.648 118.143 2.505 19052 2996 1 11 . 1 1 532 532 ILE HA H 532 3.814 3.814 4.396 -0.582 19052 2997 1 11 . 1 1 532 532 ILE CA C 532 63.978 63.978 58.484 5.494 19052 2998 1 11 . 1 1 532 532 ILE CB C 532 37.291 37.291 38.324 -1.033 19052 2999 1 11 . 1 1 532 532 ILE H H 532 7.515 7.515 7.885 -0.370 19052 3000 1 11 . 1 1 533 533 PRO HA H 533 4.199 4.199 4.175 0.024 19052 3001 1 11 . 1 1 533 533 PRO C C 533 173.380 173.380 176.921 -3.541 19052 3002 1 11 . 1 1 533 533 PRO CA C 533 64.877 64.877 65.111 -0.234 19052 3003 1 11 . 1 1 533 533 PRO CB C 533 31.795 31.795 31.050 0.745 19052 3004 1 11 . 1 1 534 534 TYR N N 534 114.701 114.701 117.491 -2.790 19052 3005 1 11 . 1 1 534 534 TYR HA H 534 4.127 4.127 4.244 -0.117 19052 3006 1 11 . 1 1 534 534 TYR C C 534 174.356 174.356 176.869 -2.513 19052 3007 1 11 . 1 1 534 534 TYR CA C 534 60.153 60.153 60.071 0.082 19052 3008 1 11 . 1 1 534 534 TYR CB C 534 38.665 38.665 38.134 0.531 19052 3009 1 11 . 1 1 534 534 TYR H H 534 7.558 7.558 8.038 -0.480 19052 3010 1 11 . 1 1 535 535 PHE N N 535 116.978 116.978 112.541 4.437 19052 3011 1 11 . 1 1 535 535 PHE HA H 535 4.381 4.381 4.981 -0.600 19052 3012 1 11 . 1 1 535 535 PHE C C 535 174.160 174.160 176.243 -2.083 19052 3013 1 11 . 1 1 535 535 PHE CA C 535 59.095 59.095 55.712 3.383 19052 3014 1 11 . 1 1 535 535 PHE CB C 535 40.607 40.607 38.915 1.692 19052 3015 1 11 . 1 1 535 535 PHE H H 535 8.003 8.003 6.937 1.066 19052 3016 1 11 . 1 1 536 536 GLY N N 536 107.091 107.091 112.157 -5.066 19052 3017 1 11 . 1 1 536 536 GLY CA C 536 47.335 47.335 46.661 0.674 19052 3018 1 11 . 1 1 536 536 GLY H H 536 8.130 8.130 8.744 -0.614 19052 3019 1 11 . 1 1 537 537 PRO HA H 537 4.244 4.244 4.586 -0.342 19052 3020 1 11 . 1 1 537 537 PRO C C 537 171.319 171.319 175.674 -4.355 19052 3021 1 11 . 1 1 537 537 PRO CA C 537 65.023 65.023 63.350 1.673 19052 3022 1 11 . 1 1 537 537 PRO CB C 537 31.842 31.842 30.781 1.061 19052 3023 1 11 . 1 1 538 538 ALA N N 538 120.335 120.335 119.013 1.322 19052 3024 1 11 . 1 1 538 538 ALA HA H 538 4.104 4.104 4.580 -0.476 19052 3025 1 11 . 1 1 538 538 ALA C C 538 171.431 171.431 176.267 -4.836 19052 3026 1 11 . 1 1 538 538 ALA CA C 538 54.534 54.534 52.260 2.274 19052 3027 1 11 . 1 1 538 538 ALA CB C 538 18.866 18.866 20.640 -1.774 19052 3028 1 11 . 1 1 538 538 ALA H H 538 7.913 7.913 7.995 -0.082 19052 3029 1 11 . 1 1 539 539 ALA N N 539 120.016 120.016 119.346 0.670 19052 3030 1 11 . 1 1 539 539 ALA HA H 539 3.916 3.916 4.760 -0.844 19052 3031 1 11 . 1 1 539 539 ALA C C 539 171.593 171.593 177.023 -5.430 19052 3032 1 11 . 1 1 539 539 ALA CA C 539 54.669 54.669 52.753 1.916 19052 3033 1 11 . 1 1 539 539 ALA CB C 539 18.929 18.929 20.350 -1.421 19052 3034 1 11 . 1 1 539 539 ALA H H 539 8.105 8.105 7.498 0.607 19052 3035 1 11 . 1 1 540 540 GLU N N 540 116.288 116.288 120.819 -4.531 19052 3036 1 11 . 1 1 540 540 GLU HA H 540 3.922 3.922 4.381 -0.459 19052 3037 1 11 . 1 1 540 540 GLU C C 540 171.649 171.649 177.031 -5.382 19052 3038 1 11 . 1 1 540 540 GLU CA C 540 59.055 59.055 56.250 2.805 19052 3039 1 11 . 1 1 540 540 GLU CB C 540 29.335 29.335 27.727 1.608 19052 3040 1 11 . 1 1 540 540 GLU H H 540 8.081 8.081 8.546 -0.465 19052 3041 1 11 . 1 1 541 541 GLY N N 541 107.262 107.262 109.037 -1.775 19052 3042 1 11 . 1 1 541 541 GLY C C 541 174.868 174.868 175.007 -0.139 19052 3043 1 11 . 1 1 541 541 GLY CA C 541 46.506 46.506 45.701 0.805 19052 3044 1 11 . 1 1 541 541 GLY H H 541 8.063 8.063 9.160 -1.097 19052 3045 1 11 . 1 1 542 542 ILE N N 542 120.614 120.614 121.566 -0.952 19052 3046 1 11 . 1 1 542 542 ILE HA H 542 3.760 3.760 3.551 0.209 19052 3047 1 11 . 1 1 542 542 ILE C C 542 173.000 173.000 176.187 -3.187 19052 3048 1 11 . 1 1 542 542 ILE CA C 542 64.103 64.103 63.892 0.211 19052 3049 1 11 . 1 1 542 542 ILE CB C 542 38.394 38.394 37.751 0.643 19052 3050 1 11 . 1 1 542 542 ILE H H 542 7.843 7.843 8.091 -0.248 19052 3051 1 11 . 1 1 543 543 TYR N N 543 120.210 120.210 117.324 2.886 19052 3052 1 11 . 1 1 543 543 TYR HA H 543 4.178 4.178 4.112 0.066 19052 3053 1 11 . 1 1 543 543 TYR C C 543 173.268 173.268 176.787 -3.519 19052 3054 1 11 . 1 1 543 543 TYR CA C 543 60.547 60.547 59.343 1.204 19052 3055 1 11 . 1 1 543 543 TYR CB C 543 38.923 38.923 35.894 3.029 19052 3056 1 11 . 1 1 543 543 TYR H H 543 8.027 8.027 8.430 -0.403 19052 3057 1 11 . 1 1 544 544 ALA N N 544 121.025 121.025 121.171 -0.146 19052 3058 1 11 . 1 1 544 544 ALA HA H 544 3.953 3.953 3.742 0.211 19052 3059 1 11 . 1 1 544 544 ALA C C 544 171.072 171.072 179.180 -8.108 19052 3060 1 11 . 1 1 544 544 ALA CA C 544 54.440 54.440 53.864 0.576 19052 3061 1 11 . 1 1 544 544 ALA CB C 544 19.028 19.028 17.694 1.334 19052 3062 1 11 . 1 1 544 544 ALA H H 544 8.079 8.079 7.064 1.015 19052 3063 1 11 . 1 1 545 545 GLU N N 545 116.132 116.132 119.453 -3.321 19052 3064 1 11 . 1 1 545 545 GLU HA H 545 4.096 4.096 4.039 0.057 19052 3065 1 11 . 1 1 545 545 GLU C C 545 172.525 172.525 178.236 -5.711 19052 3066 1 11 . 1 1 545 545 GLU CA C 545 57.355 57.355 57.431 -0.076 19052 3067 1 11 . 1 1 545 545 GLU CB C 545 29.517 29.517 29.874 -0.357 19052 3068 1 11 . 1 1 545 545 GLU H H 545 7.880 7.880 8.209 -0.329 19052 3069 1 11 . 1 1 546 546 GLY N N 546 107.283 107.283 109.991 -2.708 19052 3070 1 11 . 1 1 546 546 GLY C C 546 175.638 175.638 174.256 1.382 19052 3071 1 11 . 1 1 546 546 GLY CA C 546 46.241 46.241 45.839 0.403 19052 3072 1 11 . 1 1 546 546 GLY H H 546 8.028 8.028 8.254 -0.226 19052 3073 1 11 . 1 1 547 547 LEU N N 547 119.944 119.944 113.876 6.068 19052 3074 1 11 . 1 1 547 547 LEU HA H 547 4.127 4.127 4.667 -0.540 19052 3075 1 11 . 1 1 547 547 LEU C C 547 172.747 172.747 176.101 -3.354 19052 3076 1 11 . 1 1 547 547 LEU CA C 547 56.418 56.418 55.548 0.870 19052 3077 1 11 . 1 1 547 547 LEU CB C 547 42.717 42.717 43.026 -0.309 19052 3078 1 11 . 1 1 547 547 LEU H H 547 7.865 7.865 8.119 -0.254 19052 3079 1 11 . 1 1 548 548 MET N N 548 115.796 115.796 115.925 -0.129 19052 3080 1 11 . 1 1 548 548 MET HA H 548 4.231 4.231 4.547 -0.316 19052 3081 1 11 . 1 1 548 548 MET C C 548 173.854 173.854 177.146 -3.292 19052 3082 1 11 . 1 1 548 548 MET CA C 548 55.914 55.914 56.519 -0.605 19052 3083 1 11 . 1 1 548 548 MET CB C 548 32.474 32.474 33.339 -0.865 19052 3084 1 11 . 1 1 548 548 MET H H 548 7.958 7.958 8.727 -0.769 19052 3085 1 11 . 1 1 549 549 HIS N N 549 116.928 116.928 119.247 -2.319 19052 3086 1 11 . 1 1 549 549 HIS HA H 549 4.572 4.572 4.460 0.112 19052 3087 1 11 . 1 1 549 549 HIS C C 549 175.817 175.817 176.129 -0.312 19052 3088 1 11 . 1 1 549 549 HIS CA C 549 55.746 55.746 58.715 -2.969 19052 3089 1 11 . 1 1 549 549 HIS CB C 549 28.918 28.918 29.460 -0.542 19052 3090 1 11 . 1 1 549 549 HIS H H 549 8.059 8.059 8.231 -0.172 19052 3091 1 11 . 1 1 550 550 ASN N N 550 118.413 118.413 116.523 1.890 19052 3092 1 11 . 1 1 550 550 ASN HA H 550 4.554 4.554 4.610 -0.056 19052 3093 1 11 . 1 1 550 550 ASN C C 550 174.738 174.738 175.488 -0.750 19052 3094 1 11 . 1 1 550 550 ASN CA C 550 53.874 53.874 53.227 0.647 19052 3095 1 11 . 1 1 550 550 ASN CB C 550 38.883 38.883 38.705 0.178 19052 3096 1 11 . 1 1 550 550 ASN H H 550 8.222 8.222 8.541 -0.319 19052 3097 1 11 . 1 1 551 551 GLN N N 551 119.844 119.844 118.950 0.894 19052 3098 1 11 . 1 1 551 551 GLN HA H 551 4.217 4.217 4.146 0.071 19052 3099 1 11 . 1 1 551 551 GLN C C 551 173.745 173.745 175.113 -1.368 19052 3100 1 11 . 1 1 551 551 GLN CA C 551 56.477 56.477 56.627 -0.150 19052 3101 1 11 . 1 1 551 551 GLN CB C 551 29.046 29.046 29.271 -0.225 19052 3102 1 11 . 1 1 551 551 GLN H H 551 8.336 8.336 7.670 0.666 19052 3103 1 11 . 1 1 552 552 ASP N N 552 119.497 119.497 119.088 0.409 19052 3104 1 11 . 1 1 552 552 ASP HA H 552 4.434 4.434 4.649 -0.215 19052 3105 1 11 . 1 1 552 552 ASP C C 552 173.446 173.446 175.667 -2.221 19052 3106 1 11 . 1 1 552 552 ASP CA C 552 55.146 55.146 54.519 0.627 19052 3107 1 11 . 1 1 552 552 ASP CB C 552 41.174 41.174 43.004 -1.830 19052 3108 1 11 . 1 1 552 552 ASP H H 552 8.192 8.192 8.557 -0.365 19052 3109 1 11 . 1 1 553 553 GLY N N 553 107.920 107.920 107.302 0.618 19052 3110 1 11 . 1 1 553 553 GLY C C 553 175.627 175.627 174.719 0.908 19052 3111 1 11 . 1 1 553 553 GLY CA C 553 45.791 45.791 44.996 0.795 19052 3112 1 11 . 1 1 553 553 GLY H H 553 8.114 8.114 7.718 0.396 19052 3113 1 11 . 1 1 554 554 LEU N N 554 121.436 121.436 117.652 3.784 19052 3114 1 11 . 1 1 554 554 LEU HA H 554 4.150 4.150 4.106 0.044 19052 3115 1 11 . 1 1 554 554 LEU C C 554 172.742 172.742 177.598 -4.856 19052 3116 1 11 . 1 1 554 554 LEU CA C 554 56.520 56.520 56.693 -0.173 19052 3117 1 11 . 1 1 554 554 LEU CB C 554 42.857 42.857 41.322 1.535 19052 3118 1 11 . 1 1 554 554 LEU H H 554 8.055 8.055 7.786 0.269 19052 3119 1 11 . 1 1 555 555 ILE N N 555 117.147 117.147 114.309 2.838 19052 3120 1 11 . 1 1 555 555 ILE HA H 555 3.947 3.947 3.707 0.240 19052 3121 1 11 . 1 1 555 555 ILE C C 555 174.354 174.354 176.601 -2.247 19052 3122 1 11 . 1 1 555 555 ILE CA C 555 62.214 62.214 61.338 0.876 19052 3123 1 11 . 1 1 555 555 ILE CB C 555 38.447 38.447 35.421 3.026 19052 3124 1 11 . 1 1 555 555 ILE H H 555 7.946 7.946 7.947 -0.001 19052 3125 1 11 . 1 1 556 556 CYS N N 556 119.354 119.354 123.666 -4.312 19052 3126 1 11 . 1 1 556 556 CYS HA H 556 4.439 4.439 4.285 0.154 19052 3127 1 11 . 1 1 556 556 CYS C C 556 174.864 174.864 176.435 -1.571 19052 3128 1 11 . 1 1 556 556 CYS CA C 556 55.915 55.915 60.140 -4.225 19052 3129 1 11 . 1 1 556 556 CYS CB C 556 40.902 40.902 27.661 13.241 19052 3130 1 11 . 1 1 556 556 CYS H H 556 8.193 8.193 8.982 -0.789 19052 3131 1 11 . 1 1 557 557 GLY N N 557 108.370 108.370 107.384 0.986 19052 3132 1 11 . 1 1 557 557 GLY C C 557 176.365 176.365 174.120 2.245 19052 3133 1 11 . 1 1 557 557 GLY CA C 557 45.923 45.923 46.166 -0.243 19052 3134 1 11 . 1 1 557 557 GLY H H 557 8.112 8.112 8.533 -0.421 19052 3135 1 11 . 1 1 558 558 LEU N N 558 120.302 120.302 112.850 7.452 19052 3136 1 11 . 1 1 558 558 LEU HA H 558 4.209 4.209 4.751 -0.542 19052 3137 1 11 . 1 1 558 558 LEU C C 558 173.387 173.387 174.983 -1.596 19052 3138 1 11 . 1 1 558 558 LEU CA C 558 55.568 55.568 54.823 0.745 19052 3139 1 11 . 1 1 558 558 LEU CB C 558 42.943 42.943 43.956 -1.013 19052 3140 1 11 . 1 1 558 558 LEU H H 558 7.816 7.816 7.689 0.127 19052 3141 1 11 . 1 1 559 559 ARG N N 559 119.826 119.826 117.072 2.754 19052 3142 1 11 . 1 1 559 559 ARG HA H 559 4.246 4.246 4.305 -0.059 19052 3143 1 11 . 1 1 559 559 ARG C C 559 175.047 175.047 174.029 1.018 19052 3144 1 11 . 1 1 559 559 ARG CA C 559 55.858 55.858 55.764 0.094 19052 3145 1 11 . 1 1 559 559 ARG CB C 559 30.806 30.806 29.925 0.881 19052 3146 1 11 . 1 1 559 559 ARG H H 559 7.996 7.996 7.760 0.236 19052 3147 1 12 . 1 1 508 508 GLN N N 508 120.688 120.688 119.927 0.761 19052 3148 1 12 . 1 1 508 508 GLN HA H 508 4.590 4.590 4.641 -0.051 19052 3149 1 12 . 1 1 508 508 GLN CA C 508 53.781 53.781 53.701 0.080 19052 3150 1 12 . 1 1 508 508 GLN CB C 508 29.074 29.074 28.735 0.339 19052 3151 1 12 . 1 1 508 508 GLN H H 508 8.558 8.558 8.083 0.475 19052 3152 1 12 . 1 1 509 509 PRO HA H 509 4.322 4.322 4.630 -0.308 19052 3153 1 12 . 1 1 509 509 PRO C C 509 173.716 173.716 175.458 -1.742 19052 3154 1 12 . 1 1 509 509 PRO CA C 509 63.284 63.284 62.456 0.827 19052 3155 1 12 . 1 1 509 509 PRO CB C 509 32.273 32.273 32.084 0.189 19052 3156 1 12 . 1 1 510 510 LYS N N 510 121.212 121.212 117.396 3.816 19052 3157 1 12 . 1 1 510 510 LYS HA H 510 4.205 4.205 3.991 0.214 19052 3158 1 12 . 1 1 510 510 LYS C C 510 173.988 173.988 175.224 -1.236 19052 3159 1 12 . 1 1 510 510 LYS CA C 510 56.301 56.301 56.857 -0.556 19052 3160 1 12 . 1 1 510 510 LYS CB C 510 33.419 33.419 30.613 2.806 19052 3161 1 12 . 1 1 510 510 LYS H H 510 8.322 8.322 8.332 -0.010 19052 3162 1 12 . 1 1 511 511 CYS N N 511 119.342 119.342 114.812 4.530 19052 3163 1 12 . 1 1 511 511 CYS HA H 511 4.558 4.558 4.606 -0.048 19052 3164 1 12 . 1 1 511 511 CYS C C 511 176.901 176.901 174.194 2.707 19052 3165 1 12 . 1 1 511 511 CYS CA C 511 55.516 55.516 57.083 -1.567 19052 3166 1 12 . 1 1 511 511 CYS CB C 511 41.836 41.836 27.460 14.376 19052 3167 1 12 . 1 1 511 511 CYS H H 511 8.269 8.269 8.293 -0.024 19052 3168 1 12 . 1 1 512 512 ASN N N 512 122.311 122.311 120.491 1.820 19052 3169 1 12 . 1 1 512 512 ASN HA H 512 4.890 4.890 4.932 -0.042 19052 3170 1 12 . 1 1 512 512 ASN CA C 512 51.259 51.259 51.583 -0.324 19052 3171 1 12 . 1 1 512 512 ASN CB C 512 39.388 39.388 38.497 0.891 19052 3172 1 12 . 1 1 512 512 ASN H H 512 8.605 8.605 8.027 0.578 19052 3173 1 12 . 1 1 513 513 PRO HA H 513 4.295 4.295 4.334 -0.039 19052 3174 1 12 . 1 1 513 513 PRO C C 513 173.951 173.951 176.277 -2.326 19052 3175 1 12 . 1 1 513 513 PRO CA C 513 63.657 63.657 64.099 -0.442 19052 3176 1 12 . 1 1 513 513 PRO CB C 513 32.188 32.188 32.349 -0.161 19052 3177 1 12 . 1 1 514 514 ASN N N 514 117.512 117.512 113.208 4.304 19052 3178 1 12 . 1 1 514 514 ASN HA H 514 4.539 4.539 4.434 0.105 19052 3179 1 12 . 1 1 514 514 ASN C C 514 175.348 175.348 173.965 1.383 19052 3180 1 12 . 1 1 514 514 ASN CA C 514 53.557 53.557 53.004 0.553 19052 3181 1 12 . 1 1 514 514 ASN CB C 514 39.195 39.195 42.211 -3.016 19052 3182 1 12 . 1 1 514 514 ASN H H 514 8.288 8.288 7.981 0.307 19052 3183 1 12 . 1 1 515 515 LEU N N 515 121.066 121.066 116.365 4.701 19052 3184 1 12 . 1 1 515 515 LEU HA H 515 4.157 4.157 3.816 0.341 19052 3185 1 12 . 1 1 515 515 LEU C C 515 173.686 173.686 175.447 -1.761 19052 3186 1 12 . 1 1 515 515 LEU CA C 515 55.344 55.344 55.653 -0.309 19052 3187 1 12 . 1 1 515 515 LEU CB C 515 42.525 42.525 39.842 2.683 19052 3188 1 12 . 1 1 515 515 LEU H H 515 7.773 7.773 8.233 -0.460 19052 3189 1 12 . 1 1 516 516 HIS N N 516 117.512 117.512 115.311 2.201 19052 3190 1 12 . 1 1 516 516 HIS HA H 516 4.438 4.438 4.649 -0.211 19052 3191 1 12 . 1 1 516 516 HIS C C 516 175.736 175.736 176.189 -0.453 19052 3192 1 12 . 1 1 516 516 HIS CA C 516 55.806 55.806 56.712 -0.906 19052 3193 1 12 . 1 1 516 516 HIS CB C 516 28.903 28.903 30.456 -1.553 19052 3194 1 12 . 1 1 516 516 HIS H H 516 8.109 8.109 8.508 -0.399 19052 3195 1 12 . 1 1 517 517 TYR N N 517 120.068 120.068 117.049 3.019 19052 3196 1 12 . 1 1 517 517 TYR HA H 517 4.206 4.206 4.451 -0.245 19052 3197 1 12 . 1 1 517 517 TYR C C 517 174.847 174.847 175.247 -0.400 19052 3198 1 12 . 1 1 517 517 TYR CA C 517 59.252 59.252 56.963 2.289 19052 3199 1 12 . 1 1 517 517 TYR CB C 517 39.066 39.066 37.789 1.277 19052 3200 1 12 . 1 1 517 517 TYR H H 517 8.070 8.070 7.631 0.439 19052 3201 1 12 . 1 1 518 518 TRP N N 518 118.503 118.503 122.321 -3.818 19052 3202 1 12 . 1 1 518 518 TRP HA H 518 4.549 4.549 4.712 -0.163 19052 3203 1 12 . 1 1 518 518 TRP C C 518 174.443 174.443 176.531 -2.088 19052 3204 1 12 . 1 1 518 518 TRP CA C 518 57.822 57.822 55.625 2.197 19052 3205 1 12 . 1 1 518 518 TRP CB C 518 29.912 29.912 30.791 -0.879 19052 3206 1 12 . 1 1 518 518 TRP H H 518 7.641 7.641 7.260 0.381 19052 3207 1 12 . 1 1 519 519 THR N N 519 112.242 112.242 120.207 -7.965 19052 3208 1 12 . 1 1 519 519 THR HA H 519 4.340 4.340 3.792 0.548 19052 3209 1 12 . 1 1 519 519 THR C C 519 175.579 175.579 174.572 1.007 19052 3210 1 12 . 1 1 519 519 THR CA C 519 61.791 61.791 64.963 -3.172 19052 3211 1 12 . 1 1 519 519 THR CB C 519 70.049 70.049 68.803 1.246 19052 3212 1 12 . 1 1 519 519 THR H H 519 7.887 7.887 8.428 -0.541 19052 3213 1 12 . 1 1 520 520 THR N N 520 114.383 114.383 108.551 5.832 19052 3214 1 12 . 1 1 520 520 THR HA H 520 4.245 4.245 4.319 -0.074 19052 3215 1 12 . 1 1 520 520 THR C C 520 175.402 175.402 172.816 2.586 19052 3216 1 12 . 1 1 520 520 THR CA C 520 62.140 62.140 62.445 -0.305 19052 3217 1 12 . 1 1 520 520 THR CB C 520 69.994 69.994 69.116 0.878 19052 3218 1 12 . 1 1 520 520 THR H H 520 7.936 7.936 8.146 -0.210 19052 3219 1 12 . 1 1 521 521 GLN N N 521 121.482 121.482 122.355 -0.873 19052 3220 1 12 . 1 1 521 521 GLN HA H 521 4.167 4.167 4.194 -0.027 19052 3221 1 12 . 1 1 521 521 GLN C C 521 174.280 174.280 175.264 -0.984 19052 3222 1 12 . 1 1 521 521 GLN CA C 521 56.569 56.569 56.793 -0.224 19052 3223 1 12 . 1 1 521 521 GLN CB C 521 29.357 29.357 29.650 -0.293 19052 3224 1 12 . 1 1 521 521 GLN H H 521 8.238 8.238 8.164 0.074 19052 3225 1 12 . 1 1 522 522 ASP N N 522 120.331 120.331 121.578 -1.247 19052 3226 1 12 . 1 1 522 522 ASP HA H 522 4.436 4.436 4.335 0.101 19052 3227 1 12 . 1 1 522 522 ASP C C 522 173.622 173.622 176.599 -2.977 19052 3228 1 12 . 1 1 522 522 ASP CA C 522 55.067 55.067 55.336 -0.269 19052 3229 1 12 . 1 1 522 522 ASP CB C 522 41.079 41.079 39.764 1.315 19052 3230 1 12 . 1 1 522 522 ASP H H 522 8.151 8.151 8.666 -0.515 19052 3231 1 12 . 1 1 523 523 GLU N N 523 120.580 120.580 124.448 -3.868 19052 3232 1 12 . 1 1 523 523 GLU HA H 523 4.086 4.086 3.875 0.211 19052 3233 1 12 . 1 1 523 523 GLU C C 523 173.037 173.037 176.126 -3.089 19052 3234 1 12 . 1 1 523 523 GLU CA C 523 57.580 57.580 54.735 2.845 19052 3235 1 12 . 1 1 523 523 GLU CB C 523 29.542 29.542 27.067 2.475 19052 3236 1 12 . 1 1 523 523 GLU H H 523 8.261 8.261 8.143 0.118 19052 3237 1 12 . 1 1 524 524 GLY N N 524 108.383 108.383 106.555 1.828 19052 3238 1 12 . 1 1 524 524 GLY C C 524 175.981 175.981 174.274 1.707 19052 3239 1 12 . 1 1 524 524 GLY CA C 524 45.936 45.936 44.731 1.205 19052 3240 1 12 . 1 1 524 524 GLY H H 524 8.287 8.287 7.535 0.752 19052 3241 1 12 . 1 1 525 525 ALA N N 525 122.951 122.951 124.066 -1.115 19052 3242 1 12 . 1 1 525 525 ALA HA H 525 4.150 4.150 4.183 -0.033 19052 3243 1 12 . 1 1 525 525 ALA C C 525 172.507 172.507 177.235 -4.728 19052 3244 1 12 . 1 1 525 525 ALA CA C 525 53.068 53.068 51.680 1.388 19052 3245 1 12 . 1 1 525 525 ALA CB C 525 19.406 19.406 16.428 2.978 19052 3246 1 12 . 1 1 525 525 ALA H H 525 7.846 7.846 7.964 -0.118 19052 3247 1 12 . 1 1 526 526 ALA N N 526 122.022 122.022 121.734 0.288 19052 3248 1 12 . 1 1 526 526 ALA HA H 526 4.181 4.181 3.887 0.294 19052 3249 1 12 . 1 1 526 526 ALA C C 526 172.070 172.070 176.323 -4.253 19052 3250 1 12 . 1 1 526 526 ALA CA C 526 53.158 53.158 52.926 0.232 19052 3251 1 12 . 1 1 526 526 ALA CB C 526 19.271 19.271 17.812 1.459 19052 3252 1 12 . 1 1 526 526 ALA H H 526 8.014 8.014 8.373 -0.359 19052 3253 1 12 . 1 1 527 527 ILE N N 527 118.520 118.520 119.431 -0.911 19052 3254 1 12 . 1 1 527 527 ILE HA H 527 3.887 3.887 4.090 -0.203 19052 3255 1 12 . 1 1 527 527 ILE C C 527 173.664 173.664 176.647 -2.983 19052 3256 1 12 . 1 1 527 527 ILE CA C 527 62.221 62.221 61.870 0.351 19052 3257 1 12 . 1 1 527 527 ILE CB C 527 38.735 38.735 37.893 0.842 19052 3258 1 12 . 1 1 527 527 ILE H H 527 7.907 7.907 8.061 -0.154 19052 3259 1 12 . 1 1 528 528 GLY N N 528 109.901 109.901 109.144 0.757 19052 3260 1 12 . 1 1 528 528 GLY C C 528 175.853 175.853 174.612 1.241 19052 3261 1 12 . 1 1 528 528 GLY CA C 528 46.143 46.143 46.154 -0.011 19052 3262 1 12 . 1 1 528 528 GLY H H 528 8.251 8.251 8.268 -0.017 19052 3263 1 12 . 1 1 529 529 ALA N N 529 122.244 122.244 121.233 1.011 19052 3264 1 12 . 1 1 529 529 ALA HA H 529 3.997 3.997 3.896 0.101 19052 3265 1 12 . 1 1 529 529 ALA C C 529 171.603 171.603 176.493 -4.890 19052 3266 1 12 . 1 1 529 529 ALA CA C 529 54.036 54.036 53.028 1.008 19052 3267 1 12 . 1 1 529 529 ALA CB C 529 19.173 19.173 17.613 1.560 19052 3268 1 12 . 1 1 529 529 ALA H H 529 7.968 7.968 7.491 0.477 19052 3269 1 12 . 1 1 530 530 ALA N N 530 119.150 119.150 118.181 0.969 19052 3270 1 12 . 1 1 530 530 ALA HA H 530 4.055 4.055 3.746 0.309 19052 3271 1 12 . 1 1 530 530 ALA C C 530 172.413 172.413 175.995 -3.582 19052 3272 1 12 . 1 1 530 530 ALA CA C 530 53.591 53.591 51.442 2.149 19052 3273 1 12 . 1 1 530 530 ALA CB C 530 19.102 19.102 18.686 0.416 19052 3274 1 12 . 1 1 530 530 ALA H H 530 8.161 8.161 7.566 0.595 19052 3275 1 12 . 1 1 531 531 TRP N N 531 115.703 115.703 115.658 0.045 19052 3276 1 12 . 1 1 531 531 TRP HA H 531 4.525 4.525 4.295 0.230 19052 3277 1 12 . 1 1 531 531 TRP C C 531 173.708 173.708 175.018 -1.310 19052 3278 1 12 . 1 1 531 531 TRP CA C 531 57.449 57.449 56.998 0.451 19052 3279 1 12 . 1 1 531 531 TRP CB C 531 30.079 30.079 26.342 3.737 19052 3280 1 12 . 1 1 531 531 TRP H H 531 7.758 7.758 8.023 -0.265 19052 3281 1 12 . 1 1 532 532 ILE N N 532 120.648 120.648 118.301 2.347 19052 3282 1 12 . 1 1 532 532 ILE HA H 532 3.814 3.814 4.813 -0.999 19052 3283 1 12 . 1 1 532 532 ILE CA C 532 63.978 63.978 58.775 5.203 19052 3284 1 12 . 1 1 532 532 ILE CB C 532 37.291 37.291 38.498 -1.207 19052 3285 1 12 . 1 1 532 532 ILE H H 532 7.515 7.515 8.001 -0.486 19052 3286 1 12 . 1 1 533 533 PRO HA H 533 4.199 4.199 4.255 -0.056 19052 3287 1 12 . 1 1 533 533 PRO C C 533 173.380 173.380 177.195 -3.815 19052 3288 1 12 . 1 1 533 533 PRO CA C 533 64.877 64.877 65.234 -0.357 19052 3289 1 12 . 1 1 533 533 PRO CB C 533 31.795 31.795 31.118 0.677 19052 3290 1 12 . 1 1 534 534 TYR N N 534 114.701 114.701 117.534 -2.833 19052 3291 1 12 . 1 1 534 534 TYR HA H 534 4.127 4.127 4.329 -0.202 19052 3292 1 12 . 1 1 534 534 TYR C C 534 174.356 174.356 176.870 -2.514 19052 3293 1 12 . 1 1 534 534 TYR CA C 534 60.153 60.153 60.441 -0.288 19052 3294 1 12 . 1 1 534 534 TYR CB C 534 38.665 38.665 38.384 0.281 19052 3295 1 12 . 1 1 534 534 TYR H H 534 7.558 7.558 8.257 -0.699 19052 3296 1 12 . 1 1 535 535 PHE N N 535 116.978 116.978 114.600 2.378 19052 3297 1 12 . 1 1 535 535 PHE HA H 535 4.381 4.381 4.762 -0.381 19052 3298 1 12 . 1 1 535 535 PHE C C 535 174.160 174.160 176.665 -2.505 19052 3299 1 12 . 1 1 535 535 PHE CA C 535 59.095 59.095 57.151 1.944 19052 3300 1 12 . 1 1 535 535 PHE CB C 535 40.607 40.607 40.173 0.434 19052 3301 1 12 . 1 1 535 535 PHE H H 535 8.003 8.003 7.959 0.044 19052 3302 1 12 . 1 1 536 536 GLY N N 536 107.091 107.091 111.271 -4.180 19052 3303 1 12 . 1 1 536 536 GLY CA C 536 47.335 47.335 47.272 0.063 19052 3304 1 12 . 1 1 536 536 GLY H H 536 8.130 8.130 8.999 -0.869 19052 3305 1 12 . 1 1 537 537 PRO HA H 537 4.244 4.244 4.379 -0.135 19052 3306 1 12 . 1 1 537 537 PRO C C 537 171.319 171.319 175.566 -4.247 19052 3307 1 12 . 1 1 537 537 PRO CA C 537 65.023 65.023 63.346 1.677 19052 3308 1 12 . 1 1 537 537 PRO CB C 537 31.842 31.842 30.560 1.282 19052 3309 1 12 . 1 1 538 538 ALA N N 538 120.335 120.335 120.150 0.185 19052 3310 1 12 . 1 1 538 538 ALA HA H 538 4.104 4.104 4.611 -0.507 19052 3311 1 12 . 1 1 538 538 ALA C C 538 171.431 171.431 176.031 -4.600 19052 3312 1 12 . 1 1 538 538 ALA CA C 538 54.534 54.534 52.096 2.438 19052 3313 1 12 . 1 1 538 538 ALA CB C 538 18.866 18.866 20.744 -1.878 19052 3314 1 12 . 1 1 538 538 ALA H H 538 7.913 7.913 8.122 -0.209 19052 3315 1 12 . 1 1 539 539 ALA N N 539 120.016 120.016 119.467 0.549 19052 3316 1 12 . 1 1 539 539 ALA HA H 539 3.916 3.916 4.927 -1.011 19052 3317 1 12 . 1 1 539 539 ALA C C 539 171.593 171.593 176.633 -5.040 19052 3318 1 12 . 1 1 539 539 ALA CA C 539 54.669 54.669 52.328 2.341 19052 3319 1 12 . 1 1 539 539 ALA CB C 539 18.929 18.929 20.700 -1.771 19052 3320 1 12 . 1 1 539 539 ALA H H 539 8.105 8.105 7.499 0.606 19052 3321 1 12 . 1 1 540 540 GLU N N 540 116.288 116.288 120.281 -3.993 19052 3322 1 12 . 1 1 540 540 GLU HA H 540 3.922 3.922 4.337 -0.415 19052 3323 1 12 . 1 1 540 540 GLU C C 540 171.649 171.649 177.458 -5.809 19052 3324 1 12 . 1 1 540 540 GLU CA C 540 59.055 59.055 55.431 3.624 19052 3325 1 12 . 1 1 540 540 GLU CB C 540 29.335 29.335 27.411 1.924 19052 3326 1 12 . 1 1 540 540 GLU H H 540 8.081 8.081 8.568 -0.487 19052 3327 1 12 . 1 1 541 541 GLY N N 541 107.262 107.262 109.022 -1.760 19052 3328 1 12 . 1 1 541 541 GLY C C 541 174.868 174.868 175.159 -0.291 19052 3329 1 12 . 1 1 541 541 GLY CA C 541 46.506 46.506 45.785 0.721 19052 3330 1 12 . 1 1 541 541 GLY H H 541 8.063 8.063 9.139 -1.076 19052 3331 1 12 . 1 1 542 542 ILE N N 542 120.614 120.614 122.243 -1.629 19052 3332 1 12 . 1 1 542 542 ILE HA H 542 3.760 3.760 3.550 0.210 19052 3333 1 12 . 1 1 542 542 ILE C C 542 173.000 173.000 176.729 -3.729 19052 3334 1 12 . 1 1 542 542 ILE CA C 542 64.103 64.103 64.233 -0.130 19052 3335 1 12 . 1 1 542 542 ILE CB C 542 38.394 38.394 38.019 0.375 19052 3336 1 12 . 1 1 542 542 ILE H H 542 7.843 7.843 8.106 -0.263 19052 3337 1 12 . 1 1 543 543 TYR N N 543 120.210 120.210 117.896 2.314 19052 3338 1 12 . 1 1 543 543 TYR HA H 543 4.178 4.178 4.226 -0.048 19052 3339 1 12 . 1 1 543 543 TYR C C 543 173.268 173.268 176.826 -3.558 19052 3340 1 12 . 1 1 543 543 TYR CA C 543 60.547 60.547 59.270 1.277 19052 3341 1 12 . 1 1 543 543 TYR CB C 543 38.923 38.923 35.657 3.265 19052 3342 1 12 . 1 1 543 543 TYR H H 543 8.027 8.027 8.537 -0.510 19052 3343 1 12 . 1 1 544 544 ALA N N 544 121.025 121.025 121.069 -0.044 19052 3344 1 12 . 1 1 544 544 ALA HA H 544 3.953 3.953 3.690 0.263 19052 3345 1 12 . 1 1 544 544 ALA C C 544 171.072 171.072 179.119 -8.047 19052 3346 1 12 . 1 1 544 544 ALA CA C 544 54.440 54.440 53.783 0.656 19052 3347 1 12 . 1 1 544 544 ALA CB C 544 19.028 19.028 17.653 1.375 19052 3348 1 12 . 1 1 544 544 ALA H H 544 8.079 8.079 7.122 0.957 19052 3349 1 12 . 1 1 545 545 GLU N N 545 116.132 116.132 119.311 -3.179 19052 3350 1 12 . 1 1 545 545 GLU HA H 545 4.096 4.096 4.019 0.077 19052 3351 1 12 . 1 1 545 545 GLU C C 545 172.525 172.525 178.390 -5.865 19052 3352 1 12 . 1 1 545 545 GLU CA C 545 57.355 57.355 57.645 -0.290 19052 3353 1 12 . 1 1 545 545 GLU CB C 545 29.517 29.517 29.806 -0.289 19052 3354 1 12 . 1 1 545 545 GLU H H 545 7.880 7.880 8.219 -0.339 19052 3355 1 12 . 1 1 546 546 GLY N N 546 107.283 107.283 108.310 -1.027 19052 3356 1 12 . 1 1 546 546 GLY C C 546 175.638 175.638 174.371 1.267 19052 3357 1 12 . 1 1 546 546 GLY CA C 546 46.241 46.241 46.532 -0.291 19052 3358 1 12 . 1 1 546 546 GLY H H 546 8.028 8.028 8.379 -0.351 19052 3359 1 12 . 1 1 547 547 LEU N N 547 119.944 119.944 112.355 7.589 19052 3360 1 12 . 1 1 547 547 LEU HA H 547 4.127 4.127 4.855 -0.728 19052 3361 1 12 . 1 1 547 547 LEU C C 547 172.747 172.747 176.155 -3.408 19052 3362 1 12 . 1 1 547 547 LEU CA C 547 56.418 56.418 55.381 1.037 19052 3363 1 12 . 1 1 547 547 LEU CB C 547 42.717 42.717 43.607 -0.890 19052 3364 1 12 . 1 1 547 547 LEU H H 547 7.865 7.865 8.108 -0.243 19052 3365 1 12 . 1 1 548 548 MET N N 548 115.796 115.796 115.801 -0.005 19052 3366 1 12 . 1 1 548 548 MET HA H 548 4.231 4.231 4.519 -0.288 19052 3367 1 12 . 1 1 548 548 MET C C 548 173.854 173.854 176.001 -2.147 19052 3368 1 12 . 1 1 548 548 MET CA C 548 55.914 55.914 56.171 -0.257 19052 3369 1 12 . 1 1 548 548 MET CB C 548 32.474 32.474 33.997 -1.523 19052 3370 1 12 . 1 1 548 548 MET H H 548 7.958 7.958 8.358 -0.400 19052 3371 1 12 . 1 1 549 549 HIS N N 549 116.928 116.928 118.874 -1.946 19052 3372 1 12 . 1 1 549 549 HIS HA H 549 4.572 4.572 4.491 0.081 19052 3373 1 12 . 1 1 549 549 HIS C C 549 175.817 175.817 176.322 -0.505 19052 3374 1 12 . 1 1 549 549 HIS CA C 549 55.746 55.746 58.265 -2.519 19052 3375 1 12 . 1 1 549 549 HIS CB C 549 28.918 28.918 29.075 -0.157 19052 3376 1 12 . 1 1 549 549 HIS H H 549 8.059 8.059 8.575 -0.516 19052 3377 1 12 . 1 1 550 550 ASN N N 550 118.413 118.413 116.025 2.388 19052 3378 1 12 . 1 1 550 550 ASN HA H 550 4.554 4.554 4.689 -0.135 19052 3379 1 12 . 1 1 550 550 ASN C C 550 174.738 174.738 175.440 -0.702 19052 3380 1 12 . 1 1 550 550 ASN CA C 550 53.874 53.874 53.099 0.775 19052 3381 1 12 . 1 1 550 550 ASN CB C 550 38.883 38.883 39.001 -0.118 19052 3382 1 12 . 1 1 550 550 ASN H H 550 8.222 8.222 8.585 -0.363 19052 3383 1 12 . 1 1 551 551 GLN N N 551 119.844 119.844 118.665 1.179 19052 3384 1 12 . 1 1 551 551 GLN HA H 551 4.217 4.217 4.151 0.066 19052 3385 1 12 . 1 1 551 551 GLN C C 551 173.745 173.745 175.657 -1.912 19052 3386 1 12 . 1 1 551 551 GLN CA C 551 56.477 56.477 56.572 -0.095 19052 3387 1 12 . 1 1 551 551 GLN CB C 551 29.046 29.046 29.087 -0.041 19052 3388 1 12 . 1 1 551 551 GLN H H 551 8.336 8.336 7.729 0.607 19052 3389 1 12 . 1 1 552 552 ASP N N 552 119.497 119.497 117.173 2.324 19052 3390 1 12 . 1 1 552 552 ASP HA H 552 4.434 4.434 4.655 -0.221 19052 3391 1 12 . 1 1 552 552 ASP C C 552 173.446 173.446 176.583 -3.137 19052 3392 1 12 . 1 1 552 552 ASP CA C 552 55.146 55.146 54.539 0.606 19052 3393 1 12 . 1 1 552 552 ASP CB C 552 41.174 41.174 43.242 -2.068 19052 3394 1 12 . 1 1 552 552 ASP H H 552 8.192 8.192 8.427 -0.235 19052 3395 1 12 . 1 1 553 553 GLY N N 553 107.920 107.920 107.437 0.483 19052 3396 1 12 . 1 1 553 553 GLY C C 553 175.627 175.627 174.866 0.761 19052 3397 1 12 . 1 1 553 553 GLY CA C 553 45.791 45.791 44.978 0.812 19052 3398 1 12 . 1 1 553 553 GLY H H 553 8.114 8.114 7.801 0.313 19052 3399 1 12 . 1 1 554 554 LEU N N 554 121.436 121.436 116.989 4.447 19052 3400 1 12 . 1 1 554 554 LEU HA H 554 4.150 4.150 4.067 0.083 19052 3401 1 12 . 1 1 554 554 LEU C C 554 172.742 172.742 176.660 -3.918 19052 3402 1 12 . 1 1 554 554 LEU CA C 554 56.520 56.520 56.666 -0.146 19052 3403 1 12 . 1 1 554 554 LEU CB C 554 42.857 42.857 41.446 1.411 19052 3404 1 12 . 1 1 554 554 LEU H H 554 8.055 8.055 7.777 0.278 19052 3405 1 12 . 1 1 555 555 ILE N N 555 117.147 117.147 114.340 2.807 19052 3406 1 12 . 1 1 555 555 ILE HA H 555 3.947 3.947 3.706 0.241 19052 3407 1 12 . 1 1 555 555 ILE C C 555 174.354 174.354 176.569 -2.215 19052 3408 1 12 . 1 1 555 555 ILE CA C 555 62.214 62.214 61.411 0.803 19052 3409 1 12 . 1 1 555 555 ILE CB C 555 38.447 38.447 35.697 2.750 19052 3410 1 12 . 1 1 555 555 ILE H H 555 7.946 7.946 7.990 -0.044 19052 3411 1 12 . 1 1 556 556 CYS N N 556 119.354 119.354 123.701 -4.347 19052 3412 1 12 . 1 1 556 556 CYS HA H 556 4.439 4.439 4.287 0.152 19052 3413 1 12 . 1 1 556 556 CYS C C 556 174.864 174.864 176.373 -1.509 19052 3414 1 12 . 1 1 556 556 CYS CA C 556 55.915 55.915 60.158 -4.243 19052 3415 1 12 . 1 1 556 556 CYS CB C 556 40.902 40.902 27.637 13.265 19052 3416 1 12 . 1 1 556 556 CYS H H 556 8.193 8.193 8.882 -0.689 19052 3417 1 12 . 1 1 557 557 GLY N N 557 108.370 108.370 107.478 0.892 19052 3418 1 12 . 1 1 557 557 GLY C C 557 176.365 176.365 174.375 1.990 19052 3419 1 12 . 1 1 557 557 GLY CA C 557 45.923 45.923 46.349 -0.426 19052 3420 1 12 . 1 1 557 557 GLY H H 557 8.112 8.112 8.524 -0.412 19052 3421 1 12 . 1 1 558 558 LEU N N 558 120.302 120.302 112.738 7.564 19052 3422 1 12 . 1 1 558 558 LEU HA H 558 4.209 4.209 4.647 -0.438 19052 3423 1 12 . 1 1 558 558 LEU C C 558 173.387 173.387 174.790 -1.403 19052 3424 1 12 . 1 1 558 558 LEU CA C 558 55.568 55.568 54.958 0.610 19052 3425 1 12 . 1 1 558 558 LEU CB C 558 42.943 42.943 43.506 -0.563 19052 3426 1 12 . 1 1 558 558 LEU H H 558 7.816 7.816 7.893 -0.077 19052 3427 1 12 . 1 1 559 559 ARG N N 559 119.826 119.826 117.298 2.528 19052 3428 1 12 . 1 1 559 559 ARG HA H 559 4.246 4.246 4.453 -0.207 19052 3429 1 12 . 1 1 559 559 ARG C C 559 175.047 175.047 174.190 0.857 19052 3430 1 12 . 1 1 559 559 ARG CA C 559 55.858 55.858 56.035 -0.177 19052 3431 1 12 . 1 1 559 559 ARG CB C 559 30.806 30.806 30.617 0.189 19052 3432 1 12 . 1 1 559 559 ARG H H 559 7.996 7.996 7.839 0.157 19052 3433 1 13 . 1 1 508 508 GLN N N 508 120.688 120.688 119.944 0.744 19052 3434 1 13 . 1 1 508 508 GLN HA H 508 4.590 4.590 4.579 0.011 19052 3435 1 13 . 1 1 508 508 GLN CA C 508 53.781 53.781 53.994 -0.213 19052 3436 1 13 . 1 1 508 508 GLN CB C 508 29.074 29.074 28.999 0.075 19052 3437 1 13 . 1 1 508 508 GLN H H 508 8.558 8.558 8.095 0.463 19052 3438 1 13 . 1 1 509 509 PRO HA H 509 4.322 4.322 4.606 -0.284 19052 3439 1 13 . 1 1 509 509 PRO C C 509 173.716 173.716 175.559 -1.843 19052 3440 1 13 . 1 1 509 509 PRO CA C 509 63.284 63.284 62.940 0.344 19052 3441 1 13 . 1 1 509 509 PRO CB C 509 32.273 32.273 31.990 0.283 19052 3442 1 13 . 1 1 510 510 LYS N N 510 121.212 121.212 118.037 3.175 19052 3443 1 13 . 1 1 510 510 LYS HA H 510 4.205 4.205 4.079 0.126 19052 3444 1 13 . 1 1 510 510 LYS C C 510 173.988 173.988 175.877 -1.889 19052 3445 1 13 . 1 1 510 510 LYS CA C 510 56.301 56.301 56.959 -0.658 19052 3446 1 13 . 1 1 510 510 LYS CB C 510 33.419 33.419 29.964 3.455 19052 3447 1 13 . 1 1 510 510 LYS H H 510 8.322 8.322 8.234 0.088 19052 3448 1 13 . 1 1 511 511 CYS N N 511 119.342 119.342 119.899 -0.557 19052 3449 1 13 . 1 1 511 511 CYS HA H 511 4.558 4.558 4.676 -0.118 19052 3450 1 13 . 1 1 511 511 CYS C C 511 176.901 176.901 173.334 3.567 19052 3451 1 13 . 1 1 511 511 CYS CA C 511 55.516 55.516 57.063 -1.547 19052 3452 1 13 . 1 1 511 511 CYS CB C 511 41.836 41.836 26.999 14.837 19052 3453 1 13 . 1 1 511 511 CYS H H 511 8.269 8.269 8.745 -0.476 19052 3454 1 13 . 1 1 512 512 ASN N N 512 122.311 122.311 120.282 2.029 19052 3455 1 13 . 1 1 512 512 ASN HA H 512 4.890 4.890 4.904 -0.014 19052 3456 1 13 . 1 1 512 512 ASN CA C 512 51.259 51.259 51.634 -0.375 19052 3457 1 13 . 1 1 512 512 ASN CB C 512 39.388 39.388 39.529 -0.141 19052 3458 1 13 . 1 1 512 512 ASN H H 512 8.605 8.605 7.895 0.710 19052 3459 1 13 . 1 1 513 513 PRO HA H 513 4.295 4.295 4.443 -0.148 19052 3460 1 13 . 1 1 513 513 PRO C C 513 173.951 173.951 176.143 -2.192 19052 3461 1 13 . 1 1 513 513 PRO CA C 513 63.657 63.657 63.931 -0.274 19052 3462 1 13 . 1 1 513 513 PRO CB C 513 32.188 32.188 32.709 -0.521 19052 3463 1 13 . 1 1 514 514 ASN N N 514 117.512 117.512 114.783 2.729 19052 3464 1 13 . 1 1 514 514 ASN HA H 514 4.539 4.539 4.648 -0.109 19052 3465 1 13 . 1 1 514 514 ASN C C 514 175.348 175.348 173.888 1.460 19052 3466 1 13 . 1 1 514 514 ASN CA C 514 53.557 53.557 52.818 0.739 19052 3467 1 13 . 1 1 514 514 ASN CB C 514 39.195 39.195 40.245 -1.050 19052 3468 1 13 . 1 1 514 514 ASN H H 514 8.288 8.288 8.029 0.259 19052 3469 1 13 . 1 1 515 515 LEU N N 515 121.066 121.066 115.295 5.771 19052 3470 1 13 . 1 1 515 515 LEU HA H 515 4.157 4.157 3.850 0.307 19052 3471 1 13 . 1 1 515 515 LEU C C 515 173.686 173.686 175.118 -1.432 19052 3472 1 13 . 1 1 515 515 LEU CA C 515 55.344 55.344 55.842 -0.498 19052 3473 1 13 . 1 1 515 515 LEU CB C 515 42.525 42.525 39.145 3.380 19052 3474 1 13 . 1 1 515 515 LEU H H 515 7.773 7.773 8.116 -0.343 19052 3475 1 13 . 1 1 516 516 HIS N N 516 117.512 117.512 116.222 1.290 19052 3476 1 13 . 1 1 516 516 HIS HA H 516 4.438 4.438 4.717 -0.279 19052 3477 1 13 . 1 1 516 516 HIS C C 516 175.736 175.736 175.638 0.098 19052 3478 1 13 . 1 1 516 516 HIS CA C 516 55.806 55.806 56.185 -0.379 19052 3479 1 13 . 1 1 516 516 HIS CB C 516 28.903 28.903 30.537 -1.634 19052 3480 1 13 . 1 1 516 516 HIS H H 516 8.109 8.109 9.161 -1.052 19052 3481 1 13 . 1 1 517 517 TYR N N 517 120.068 120.068 117.392 2.676 19052 3482 1 13 . 1 1 517 517 TYR HA H 517 4.206 4.206 4.444 -0.238 19052 3483 1 13 . 1 1 517 517 TYR C C 517 174.847 174.847 175.542 -0.695 19052 3484 1 13 . 1 1 517 517 TYR CA C 517 59.252 59.252 58.186 1.066 19052 3485 1 13 . 1 1 517 517 TYR CB C 517 39.066 39.066 37.735 1.331 19052 3486 1 13 . 1 1 517 517 TYR H H 517 8.070 8.070 7.413 0.657 19052 3487 1 13 . 1 1 518 518 TRP N N 518 118.503 118.503 122.001 -3.498 19052 3488 1 13 . 1 1 518 518 TRP HA H 518 4.549 4.549 4.764 -0.215 19052 3489 1 13 . 1 1 518 518 TRP C C 518 174.443 174.443 176.644 -2.201 19052 3490 1 13 . 1 1 518 518 TRP CA C 518 57.822 57.822 56.161 1.661 19052 3491 1 13 . 1 1 518 518 TRP CB C 518 29.912 29.912 31.350 -1.438 19052 3492 1 13 . 1 1 518 518 TRP H H 518 7.641 7.641 7.296 0.344 19052 3493 1 13 . 1 1 519 519 THR N N 519 112.242 112.242 119.597 -7.355 19052 3494 1 13 . 1 1 519 519 THR HA H 519 4.340 4.340 3.774 0.566 19052 3495 1 13 . 1 1 519 519 THR C C 519 175.579 175.579 174.443 1.136 19052 3496 1 13 . 1 1 519 519 THR CA C 519 61.791 61.791 65.412 -3.621 19052 3497 1 13 . 1 1 519 519 THR CB C 519 70.049 70.049 68.681 1.368 19052 3498 1 13 . 1 1 519 519 THR H H 519 7.887 7.887 8.321 -0.434 19052 3499 1 13 . 1 1 520 520 THR N N 520 114.383 114.383 109.014 5.369 19052 3500 1 13 . 1 1 520 520 THR HA H 520 4.245 4.245 4.339 -0.094 19052 3501 1 13 . 1 1 520 520 THR C C 520 175.402 175.402 172.684 2.718 19052 3502 1 13 . 1 1 520 520 THR CA C 520 62.140 62.140 62.292 -0.152 19052 3503 1 13 . 1 1 520 520 THR CB C 520 69.994 69.994 69.089 0.905 19052 3504 1 13 . 1 1 520 520 THR H H 520 7.936 7.936 7.566 0.370 19052 3505 1 13 . 1 1 521 521 GLN N N 521 121.482 121.482 122.193 -0.711 19052 3506 1 13 . 1 1 521 521 GLN HA H 521 4.167 4.167 4.171 -0.004 19052 3507 1 13 . 1 1 521 521 GLN C C 521 174.280 174.280 175.131 -0.851 19052 3508 1 13 . 1 1 521 521 GLN CA C 521 56.569 56.569 56.466 0.103 19052 3509 1 13 . 1 1 521 521 GLN CB C 521 29.357 29.357 29.255 0.102 19052 3510 1 13 . 1 1 521 521 GLN H H 521 8.238 8.238 7.992 0.246 19052 3511 1 13 . 1 1 522 522 ASP N N 522 120.331 120.331 121.891 -1.560 19052 3512 1 13 . 1 1 522 522 ASP HA H 522 4.436 4.436 4.338 0.098 19052 3513 1 13 . 1 1 522 522 ASP C C 522 173.622 173.622 176.583 -2.961 19052 3514 1 13 . 1 1 522 522 ASP CA C 522 55.067 55.067 55.374 -0.307 19052 3515 1 13 . 1 1 522 522 ASP CB C 522 41.079 41.079 39.564 1.515 19052 3516 1 13 . 1 1 522 522 ASP H H 522 8.151 8.151 8.701 -0.550 19052 3517 1 13 . 1 1 523 523 GLU N N 523 120.580 120.580 123.966 -3.386 19052 3518 1 13 . 1 1 523 523 GLU HA H 523 4.086 4.086 4.172 -0.086 19052 3519 1 13 . 1 1 523 523 GLU C C 523 173.037 173.037 176.338 -3.301 19052 3520 1 13 . 1 1 523 523 GLU CA C 523 57.580 57.580 55.066 2.514 19052 3521 1 13 . 1 1 523 523 GLU CB C 523 29.542 29.542 27.324 2.218 19052 3522 1 13 . 1 1 523 523 GLU H H 523 8.261 8.261 8.239 0.022 19052 3523 1 13 . 1 1 524 524 GLY N N 524 108.383 108.383 108.323 0.060 19052 3524 1 13 . 1 1 524 524 GLY C C 524 175.981 175.981 174.089 1.892 19052 3525 1 13 . 1 1 524 524 GLY CA C 524 45.936 45.936 45.082 0.854 19052 3526 1 13 . 1 1 524 524 GLY H H 524 8.287 8.287 7.893 0.394 19052 3527 1 13 . 1 1 525 525 ALA N N 525 122.951 122.951 124.227 -1.276 19052 3528 1 13 . 1 1 525 525 ALA HA H 525 4.150 4.150 4.293 -0.143 19052 3529 1 13 . 1 1 525 525 ALA C C 525 172.507 172.507 177.776 -5.269 19052 3530 1 13 . 1 1 525 525 ALA CA C 525 53.068 53.068 51.477 1.591 19052 3531 1 13 . 1 1 525 525 ALA CB C 525 19.406 19.406 16.811 2.595 19052 3532 1 13 . 1 1 525 525 ALA H H 525 7.846 7.846 8.045 -0.199 19052 3533 1 13 . 1 1 526 526 ALA N N 526 122.022 122.022 121.734 0.288 19052 3534 1 13 . 1 1 526 526 ALA HA H 526 4.181 4.181 3.861 0.320 19052 3535 1 13 . 1 1 526 526 ALA C C 526 172.070 172.070 176.301 -4.231 19052 3536 1 13 . 1 1 526 526 ALA CA C 526 53.158 53.158 52.917 0.241 19052 3537 1 13 . 1 1 526 526 ALA CB C 526 19.271 19.271 17.746 1.525 19052 3538 1 13 . 1 1 526 526 ALA H H 526 8.014 8.014 8.444 -0.430 19052 3539 1 13 . 1 1 527 527 ILE N N 527 118.520 118.520 118.392 0.128 19052 3540 1 13 . 1 1 527 527 ILE HA H 527 3.887 3.887 4.024 -0.137 19052 3541 1 13 . 1 1 527 527 ILE C C 527 173.664 173.664 175.888 -2.224 19052 3542 1 13 . 1 1 527 527 ILE CA C 527 62.221 62.221 62.196 0.025 19052 3543 1 13 . 1 1 527 527 ILE CB C 527 38.735 38.735 38.409 0.326 19052 3544 1 13 . 1 1 527 527 ILE H H 527 7.907 7.907 7.900 0.007 19052 3545 1 13 . 1 1 528 528 GLY N N 528 109.901 109.901 109.579 0.322 19052 3546 1 13 . 1 1 528 528 GLY C C 528 175.853 175.853 174.915 0.938 19052 3547 1 13 . 1 1 528 528 GLY CA C 528 46.143 46.143 45.879 0.265 19052 3548 1 13 . 1 1 528 528 GLY H H 528 8.251 8.251 8.519 -0.268 19052 3549 1 13 . 1 1 529 529 ALA N N 529 122.244 122.244 121.248 0.996 19052 3550 1 13 . 1 1 529 529 ALA HA H 529 3.997 3.997 3.890 0.107 19052 3551 1 13 . 1 1 529 529 ALA C C 529 171.603 171.603 176.493 -4.890 19052 3552 1 13 . 1 1 529 529 ALA CA C 529 54.036 54.036 53.015 1.021 19052 3553 1 13 . 1 1 529 529 ALA CB C 529 19.173 19.173 17.601 1.572 19052 3554 1 13 . 1 1 529 529 ALA H H 529 7.968 7.968 7.478 0.490 19052 3555 1 13 . 1 1 530 530 ALA N N 530 119.150 119.150 118.183 0.967 19052 3556 1 13 . 1 1 530 530 ALA HA H 530 4.055 4.055 3.705 0.350 19052 3557 1 13 . 1 1 530 530 ALA C C 530 172.413 172.413 175.927 -3.514 19052 3558 1 13 . 1 1 530 530 ALA CA C 530 53.591 53.591 51.420 2.171 19052 3559 1 13 . 1 1 530 530 ALA CB C 530 19.102 19.102 18.636 0.466 19052 3560 1 13 . 1 1 530 530 ALA H H 530 8.161 8.161 7.561 0.600 19052 3561 1 13 . 1 1 531 531 TRP N N 531 115.703 115.703 115.296 0.407 19052 3562 1 13 . 1 1 531 531 TRP HA H 531 4.525 4.525 4.297 0.228 19052 3563 1 13 . 1 1 531 531 TRP C C 531 173.708 173.708 174.961 -1.253 19052 3564 1 13 . 1 1 531 531 TRP CA C 531 57.449 57.449 56.899 0.550 19052 3565 1 13 . 1 1 531 531 TRP CB C 531 30.079 30.079 26.343 3.736 19052 3566 1 13 . 1 1 531 531 TRP H H 531 7.758 7.758 8.014 -0.256 19052 3567 1 13 . 1 1 532 532 ILE N N 532 120.648 120.648 118.377 2.271 19052 3568 1 13 . 1 1 532 532 ILE HA H 532 3.814 3.814 4.780 -0.966 19052 3569 1 13 . 1 1 532 532 ILE CA C 532 63.978 63.978 58.684 5.294 19052 3570 1 13 . 1 1 532 532 ILE CB C 532 37.291 37.291 38.447 -1.156 19052 3571 1 13 . 1 1 532 532 ILE H H 532 7.515 7.515 7.951 -0.436 19052 3572 1 13 . 1 1 533 533 PRO HA H 533 4.199 4.199 4.193 0.006 19052 3573 1 13 . 1 1 533 533 PRO C C 533 173.380 173.380 177.136 -3.756 19052 3574 1 13 . 1 1 533 533 PRO CA C 533 64.877 64.877 64.791 0.086 19052 3575 1 13 . 1 1 533 533 PRO CB C 533 31.795 31.795 31.695 0.100 19052 3576 1 13 . 1 1 534 534 TYR N N 534 114.701 114.701 118.041 -3.340 19052 3577 1 13 . 1 1 534 534 TYR HA H 534 4.127 4.127 3.965 0.162 19052 3578 1 13 . 1 1 534 534 TYR C C 534 174.356 174.356 176.338 -1.982 19052 3579 1 13 . 1 1 534 534 TYR CA C 534 60.153 60.153 59.882 0.271 19052 3580 1 13 . 1 1 534 534 TYR CB C 534 38.665 38.665 37.721 0.944 19052 3581 1 13 . 1 1 534 534 TYR H H 534 7.558 7.558 8.184 -0.626 19052 3582 1 13 . 1 1 535 535 PHE N N 535 116.978 116.978 114.125 2.853 19052 3583 1 13 . 1 1 535 535 PHE HA H 535 4.381 4.381 4.797 -0.416 19052 3584 1 13 . 1 1 535 535 PHE C C 535 174.160 174.160 176.599 -2.439 19052 3585 1 13 . 1 1 535 535 PHE CA C 535 59.095 59.095 56.993 2.102 19052 3586 1 13 . 1 1 535 535 PHE CB C 535 40.607 40.607 39.352 1.255 19052 3587 1 13 . 1 1 535 535 PHE H H 535 8.003 8.003 7.620 0.383 19052 3588 1 13 . 1 1 536 536 GLY N N 536 107.091 107.091 111.498 -4.407 19052 3589 1 13 . 1 1 536 536 GLY CA C 536 47.335 47.335 47.028 0.307 19052 3590 1 13 . 1 1 536 536 GLY H H 536 8.130 8.130 8.836 -0.706 19052 3591 1 13 . 1 1 537 537 PRO HA H 537 4.244 4.244 4.471 -0.227 19052 3592 1 13 . 1 1 537 537 PRO C C 537 171.319 171.319 175.385 -4.066 19052 3593 1 13 . 1 1 537 537 PRO CA C 537 65.023 65.023 63.532 1.491 19052 3594 1 13 . 1 1 537 537 PRO CB C 537 31.842 31.842 30.971 0.871 19052 3595 1 13 . 1 1 538 538 ALA N N 538 120.335 120.335 118.894 1.441 19052 3596 1 13 . 1 1 538 538 ALA HA H 538 4.104 4.104 4.655 -0.551 19052 3597 1 13 . 1 1 538 538 ALA C C 538 171.431 171.431 176.161 -4.730 19052 3598 1 13 . 1 1 538 538 ALA CA C 538 54.534 54.534 52.225 2.309 19052 3599 1 13 . 1 1 538 538 ALA CB C 538 18.866 18.866 20.902 -2.037 19052 3600 1 13 . 1 1 538 538 ALA H H 538 7.913 7.913 7.958 -0.045 19052 3601 1 13 . 1 1 539 539 ALA N N 539 120.016 120.016 119.293 0.723 19052 3602 1 13 . 1 1 539 539 ALA HA H 539 3.916 3.916 4.799 -0.883 19052 3603 1 13 . 1 1 539 539 ALA C C 539 171.593 171.593 177.153 -5.560 19052 3604 1 13 . 1 1 539 539 ALA CA C 539 54.669 54.669 52.813 1.855 19052 3605 1 13 . 1 1 539 539 ALA CB C 539 18.929 18.929 20.338 -1.409 19052 3606 1 13 . 1 1 539 539 ALA H H 539 8.105 8.105 7.559 0.546 19052 3607 1 13 . 1 1 540 540 GLU N N 540 116.288 116.288 120.032 -3.744 19052 3608 1 13 . 1 1 540 540 GLU HA H 540 3.922 3.922 4.323 -0.401 19052 3609 1 13 . 1 1 540 540 GLU C C 540 171.649 171.649 177.340 -5.691 19052 3610 1 13 . 1 1 540 540 GLU CA C 540 59.055 59.055 55.750 3.305 19052 3611 1 13 . 1 1 540 540 GLU CB C 540 29.335 29.335 27.775 1.560 19052 3612 1 13 . 1 1 540 540 GLU H H 540 8.081 8.081 8.637 -0.556 19052 3613 1 13 . 1 1 541 541 GLY N N 541 107.262 107.262 108.433 -1.171 19052 3614 1 13 . 1 1 541 541 GLY C C 541 174.868 174.868 175.123 -0.255 19052 3615 1 13 . 1 1 541 541 GLY CA C 541 46.506 46.506 45.625 0.881 19052 3616 1 13 . 1 1 541 541 GLY H H 541 8.063 8.063 9.081 -1.018 19052 3617 1 13 . 1 1 542 542 ILE N N 542 120.614 120.614 122.172 -1.558 19052 3618 1 13 . 1 1 542 542 ILE HA H 542 3.760 3.760 3.537 0.223 19052 3619 1 13 . 1 1 542 542 ILE C C 542 173.000 173.000 176.251 -3.251 19052 3620 1 13 . 1 1 542 542 ILE CA C 542 64.103 64.103 64.356 -0.253 19052 3621 1 13 . 1 1 542 542 ILE CB C 542 38.394 38.394 37.751 0.643 19052 3622 1 13 . 1 1 542 542 ILE H H 542 7.843 7.843 8.150 -0.307 19052 3623 1 13 . 1 1 543 543 TYR N N 543 120.210 120.210 117.356 2.854 19052 3624 1 13 . 1 1 543 543 TYR HA H 543 4.178 4.178 4.121 0.057 19052 3625 1 13 . 1 1 543 543 TYR C C 543 173.268 173.268 176.880 -3.612 19052 3626 1 13 . 1 1 543 543 TYR CA C 543 60.547 60.547 59.324 1.223 19052 3627 1 13 . 1 1 543 543 TYR CB C 543 38.923 38.923 35.911 3.012 19052 3628 1 13 . 1 1 543 543 TYR H H 543 8.027 8.027 8.496 -0.469 19052 3629 1 13 . 1 1 544 544 ALA N N 544 121.025 121.025 121.128 -0.103 19052 3630 1 13 . 1 1 544 544 ALA HA H 544 3.953 3.953 3.677 0.276 19052 3631 1 13 . 1 1 544 544 ALA C C 544 171.072 171.072 179.170 -8.098 19052 3632 1 13 . 1 1 544 544 ALA CA C 544 54.440 54.440 53.800 0.640 19052 3633 1 13 . 1 1 544 544 ALA CB C 544 19.028 19.028 17.653 1.375 19052 3634 1 13 . 1 1 544 544 ALA H H 544 8.079 8.079 6.967 1.112 19052 3635 1 13 . 1 1 545 545 GLU N N 545 116.132 116.132 118.815 -2.683 19052 3636 1 13 . 1 1 545 545 GLU HA H 545 4.096 4.096 4.021 0.075 19052 3637 1 13 . 1 1 545 545 GLU C C 545 172.525 172.525 178.180 -5.655 19052 3638 1 13 . 1 1 545 545 GLU CA C 545 57.355 57.355 57.246 0.109 19052 3639 1 13 . 1 1 545 545 GLU CB C 545 29.517 29.517 29.559 -0.042 19052 3640 1 13 . 1 1 545 545 GLU H H 545 7.880 7.880 8.316 -0.436 19052 3641 1 13 . 1 1 546 546 GLY N N 546 107.283 107.283 109.953 -2.670 19052 3642 1 13 . 1 1 546 546 GLY C C 546 175.638 175.638 174.167 1.471 19052 3643 1 13 . 1 1 546 546 GLY CA C 546 46.241 46.241 45.836 0.405 19052 3644 1 13 . 1 1 546 546 GLY H H 546 8.028 8.028 8.182 -0.154 19052 3645 1 13 . 1 1 547 547 LEU N N 547 119.944 119.944 114.364 5.580 19052 3646 1 13 . 1 1 547 547 LEU HA H 547 4.127 4.127 4.612 -0.485 19052 3647 1 13 . 1 1 547 547 LEU C C 547 172.747 172.747 176.246 -3.499 19052 3648 1 13 . 1 1 547 547 LEU CA C 547 56.418 56.418 55.582 0.836 19052 3649 1 13 . 1 1 547 547 LEU CB C 547 42.717 42.717 43.203 -0.486 19052 3650 1 13 . 1 1 547 547 LEU H H 547 7.865 7.865 8.413 -0.548 19052 3651 1 13 . 1 1 548 548 MET N N 548 115.796 115.796 115.739 0.057 19052 3652 1 13 . 1 1 548 548 MET HA H 548 4.231 4.231 4.580 -0.349 19052 3653 1 13 . 1 1 548 548 MET C C 548 173.854 173.854 177.106 -3.252 19052 3654 1 13 . 1 1 548 548 MET CA C 548 55.914 55.914 56.973 -1.059 19052 3655 1 13 . 1 1 548 548 MET CB C 548 32.474 32.474 34.597 -2.123 19052 3656 1 13 . 1 1 548 548 MET H H 548 7.958 7.958 8.889 -0.931 19052 3657 1 13 . 1 1 549 549 HIS N N 549 116.928 116.928 119.715 -2.787 19052 3658 1 13 . 1 1 549 549 HIS HA H 549 4.572 4.572 4.464 0.108 19052 3659 1 13 . 1 1 549 549 HIS C C 549 175.817 175.817 175.891 -0.074 19052 3660 1 13 . 1 1 549 549 HIS CA C 549 55.746 55.746 58.072 -2.326 19052 3661 1 13 . 1 1 549 549 HIS CB C 549 28.918 28.918 29.257 -0.339 19052 3662 1 13 . 1 1 549 549 HIS H H 549 8.059 8.059 8.387 -0.328 19052 3663 1 13 . 1 1 550 550 ASN N N 550 118.413 118.413 114.952 3.461 19052 3664 1 13 . 1 1 550 550 ASN HA H 550 4.554 4.554 4.585 -0.031 19052 3665 1 13 . 1 1 550 550 ASN C C 550 174.738 174.738 176.105 -1.367 19052 3666 1 13 . 1 1 550 550 ASN CA C 550 53.874 53.874 53.493 0.381 19052 3667 1 13 . 1 1 550 550 ASN CB C 550 38.883 38.883 38.394 0.489 19052 3668 1 13 . 1 1 550 550 ASN H H 550 8.222 8.222 8.213 0.009 19052 3669 1 13 . 1 1 551 551 GLN N N 551 119.844 119.844 118.869 0.975 19052 3670 1 13 . 1 1 551 551 GLN HA H 551 4.217 4.217 4.109 0.108 19052 3671 1 13 . 1 1 551 551 GLN C C 551 173.745 173.745 175.409 -1.664 19052 3672 1 13 . 1 1 551 551 GLN CA C 551 56.477 56.477 57.165 -0.688 19052 3673 1 13 . 1 1 551 551 GLN CB C 551 29.046 29.046 29.502 -0.456 19052 3674 1 13 . 1 1 551 551 GLN H H 551 8.336 8.336 7.737 0.599 19052 3675 1 13 . 1 1 552 552 ASP N N 552 119.497 119.497 116.836 2.661 19052 3676 1 13 . 1 1 552 552 ASP HA H 552 4.434 4.434 4.758 -0.324 19052 3677 1 13 . 1 1 552 552 ASP C C 552 173.446 173.446 176.711 -3.265 19052 3678 1 13 . 1 1 552 552 ASP CA C 552 55.146 55.146 54.646 0.500 19052 3679 1 13 . 1 1 552 552 ASP CB C 552 41.174 41.174 43.703 -2.529 19052 3680 1 13 . 1 1 552 552 ASP H H 552 8.192 8.192 8.532 -0.340 19052 3681 1 13 . 1 1 553 553 GLY N N 553 107.920 107.920 108.053 -0.133 19052 3682 1 13 . 1 1 553 553 GLY C C 553 175.627 175.627 174.879 0.748 19052 3683 1 13 . 1 1 553 553 GLY CA C 553 45.791 45.791 45.123 0.668 19052 3684 1 13 . 1 1 553 553 GLY H H 553 8.114 8.114 7.951 0.163 19052 3685 1 13 . 1 1 554 554 LEU N N 554 121.436 121.436 118.940 2.496 19052 3686 1 13 . 1 1 554 554 LEU HA H 554 4.150 4.150 4.043 0.107 19052 3687 1 13 . 1 1 554 554 LEU C C 554 172.742 172.742 177.454 -4.712 19052 3688 1 13 . 1 1 554 554 LEU CA C 554 56.520 56.520 57.232 -0.712 19052 3689 1 13 . 1 1 554 554 LEU CB C 554 42.857 42.857 41.720 1.137 19052 3690 1 13 . 1 1 554 554 LEU H H 554 8.055 8.055 7.685 0.370 19052 3691 1 13 . 1 1 555 555 ILE N N 555 117.147 117.147 114.756 2.391 19052 3692 1 13 . 1 1 555 555 ILE HA H 555 3.947 3.947 3.892 0.055 19052 3693 1 13 . 1 1 555 555 ILE C C 555 174.354 174.354 176.440 -2.086 19052 3694 1 13 . 1 1 555 555 ILE CA C 555 62.214 62.214 61.904 0.310 19052 3695 1 13 . 1 1 555 555 ILE CB C 555 38.447 38.447 37.181 1.266 19052 3696 1 13 . 1 1 555 555 ILE H H 555 7.946 7.946 7.883 0.063 19052 3697 1 13 . 1 1 556 556 CYS N N 556 119.354 119.354 123.885 -4.531 19052 3698 1 13 . 1 1 556 556 CYS HA H 556 4.439 4.439 4.203 0.236 19052 3699 1 13 . 1 1 556 556 CYS C C 556 174.864 174.864 175.796 -0.932 19052 3700 1 13 . 1 1 556 556 CYS CA C 556 55.915 55.915 59.879 -3.964 19052 3701 1 13 . 1 1 556 556 CYS CB C 556 40.902 40.902 27.530 13.372 19052 3702 1 13 . 1 1 556 556 CYS H H 556 8.193 8.193 8.778 -0.585 19052 3703 1 13 . 1 1 557 557 GLY N N 557 108.370 108.370 107.466 0.904 19052 3704 1 13 . 1 1 557 557 GLY C C 557 176.365 176.365 174.043 2.322 19052 3705 1 13 . 1 1 557 557 GLY CA C 557 45.923 45.923 46.766 -0.843 19052 3706 1 13 . 1 1 557 557 GLY H H 557 8.112 8.112 8.505 -0.393 19052 3707 1 13 . 1 1 558 558 LEU N N 558 120.302 120.302 113.654 6.648 19052 3708 1 13 . 1 1 558 558 LEU HA H 558 4.209 4.209 4.580 -0.371 19052 3709 1 13 . 1 1 558 558 LEU C C 558 173.387 173.387 174.808 -1.421 19052 3710 1 13 . 1 1 558 558 LEU CA C 558 55.568 55.568 54.613 0.955 19052 3711 1 13 . 1 1 558 558 LEU CB C 558 42.943 42.943 42.965 -0.022 19052 3712 1 13 . 1 1 558 558 LEU H H 558 7.816 7.816 7.583 0.233 19052 3713 1 13 . 1 1 559 559 ARG N N 559 119.826 119.826 117.448 2.378 19052 3714 1 13 . 1 1 559 559 ARG HA H 559 4.246 4.246 4.418 -0.172 19052 3715 1 13 . 1 1 559 559 ARG C C 559 175.047 175.047 174.440 0.607 19052 3716 1 13 . 1 1 559 559 ARG CA C 559 55.858 55.858 55.789 0.069 19052 3717 1 13 . 1 1 559 559 ARG CB C 559 30.806 30.806 30.173 0.633 19052 3718 1 13 . 1 1 559 559 ARG H H 559 7.996 7.996 7.849 0.147 19052 3719 1 14 . 1 1 508 508 GLN N N 508 120.688 120.688 123.133 -2.445 19052 3720 1 14 . 1 1 508 508 GLN HA H 508 4.590 4.590 4.871 -0.281 19052 3721 1 14 . 1 1 508 508 GLN CA C 508 53.781 53.781 53.994 -0.213 19052 3722 1 14 . 1 1 508 508 GLN CB C 508 29.074 29.074 29.922 -0.848 19052 3723 1 14 . 1 1 508 508 GLN H H 508 8.558 8.558 8.275 0.283 19052 3724 1 14 . 1 1 509 509 PRO HA H 509 4.322 4.322 4.497 -0.175 19052 3725 1 14 . 1 1 509 509 PRO C C 509 173.716 173.716 175.996 -2.280 19052 3726 1 14 . 1 1 509 509 PRO CA C 509 63.284 63.284 62.919 0.365 19052 3727 1 14 . 1 1 509 509 PRO CB C 509 32.273 32.273 31.623 0.650 19052 3728 1 14 . 1 1 510 510 LYS N N 510 121.212 121.212 117.349 3.863 19052 3729 1 14 . 1 1 510 510 LYS HA H 510 4.205 4.205 4.143 0.062 19052 3730 1 14 . 1 1 510 510 LYS C C 510 173.988 173.988 175.885 -1.897 19052 3731 1 14 . 1 1 510 510 LYS CA C 510 56.301 56.301 56.508 -0.207 19052 3732 1 14 . 1 1 510 510 LYS CB C 510 33.419 33.419 30.934 2.485 19052 3733 1 14 . 1 1 510 510 LYS H H 510 8.322 8.322 8.041 0.281 19052 3734 1 14 . 1 1 511 511 CYS N N 511 119.342 119.342 118.805 0.537 19052 3735 1 14 . 1 1 511 511 CYS HA H 511 4.558 4.558 4.623 -0.065 19052 3736 1 14 . 1 1 511 511 CYS C C 511 176.901 176.901 173.119 3.782 19052 3737 1 14 . 1 1 511 511 CYS CA C 511 55.516 55.516 57.206 -1.690 19052 3738 1 14 . 1 1 511 511 CYS CB C 511 41.836 41.836 26.861 14.975 19052 3739 1 14 . 1 1 511 511 CYS H H 511 8.269 8.269 8.410 -0.141 19052 3740 1 14 . 1 1 512 512 ASN N N 512 122.311 122.311 118.531 3.780 19052 3741 1 14 . 1 1 512 512 ASN HA H 512 4.890 4.890 5.184 -0.294 19052 3742 1 14 . 1 1 512 512 ASN CA C 512 51.259 51.259 50.867 0.391 19052 3743 1 14 . 1 1 512 512 ASN CB C 512 39.388 39.388 39.423 -0.035 19052 3744 1 14 . 1 1 512 512 ASN H H 512 8.605 8.605 7.795 0.810 19052 3745 1 14 . 1 1 513 513 PRO HA H 513 4.295 4.295 4.454 -0.159 19052 3746 1 14 . 1 1 513 513 PRO C C 513 173.951 173.951 176.219 -2.268 19052 3747 1 14 . 1 1 513 513 PRO CA C 513 63.657 63.657 62.079 1.578 19052 3748 1 14 . 1 1 513 513 PRO CB C 513 32.188 32.188 32.557 -0.369 19052 3749 1 14 . 1 1 514 514 ASN N N 514 117.512 117.512 116.366 1.146 19052 3750 1 14 . 1 1 514 514 ASN HA H 514 4.539 4.539 4.052 0.487 19052 3751 1 14 . 1 1 514 514 ASN C C 514 175.348 175.348 175.065 0.283 19052 3752 1 14 . 1 1 514 514 ASN CA C 514 53.557 53.557 54.806 -1.249 19052 3753 1 14 . 1 1 514 514 ASN CB C 514 39.195 39.195 38.395 0.800 19052 3754 1 14 . 1 1 514 514 ASN H H 514 8.288 8.288 8.414 -0.126 19052 3755 1 14 . 1 1 515 515 LEU N N 515 121.066 121.066 111.711 9.355 19052 3756 1 14 . 1 1 515 515 LEU HA H 515 4.157 4.157 4.053 0.104 19052 3757 1 14 . 1 1 515 515 LEU C C 515 173.686 173.686 175.798 -2.112 19052 3758 1 14 . 1 1 515 515 LEU CA C 515 55.344 55.344 55.770 -0.426 19052 3759 1 14 . 1 1 515 515 LEU CB C 515 42.525 42.525 39.446 3.079 19052 3760 1 14 . 1 1 515 515 LEU H H 515 7.773 7.773 8.060 -0.287 19052 3761 1 14 . 1 1 516 516 HIS N N 516 117.512 117.512 114.977 2.535 19052 3762 1 14 . 1 1 516 516 HIS HA H 516 4.438 4.438 4.670 -0.232 19052 3763 1 14 . 1 1 516 516 HIS C C 516 175.736 175.736 176.110 -0.374 19052 3764 1 14 . 1 1 516 516 HIS CA C 516 55.806 55.806 56.245 -0.439 19052 3765 1 14 . 1 1 516 516 HIS CB C 516 28.903 28.903 30.681 -1.778 19052 3766 1 14 . 1 1 516 516 HIS H H 516 8.109 8.109 8.465 -0.356 19052 3767 1 14 . 1 1 517 517 TYR N N 517 120.068 120.068 117.540 2.528 19052 3768 1 14 . 1 1 517 517 TYR HA H 517 4.206 4.206 4.356 -0.150 19052 3769 1 14 . 1 1 517 517 TYR C C 517 174.847 174.847 175.263 -0.416 19052 3770 1 14 . 1 1 517 517 TYR CA C 517 59.252 59.252 56.427 2.825 19052 3771 1 14 . 1 1 517 517 TYR CB C 517 39.066 39.066 37.767 1.299 19052 3772 1 14 . 1 1 517 517 TYR H H 517 8.070 8.070 7.606 0.464 19052 3773 1 14 . 1 1 518 518 TRP N N 518 118.503 118.503 122.785 -4.282 19052 3774 1 14 . 1 1 518 518 TRP HA H 518 4.549 4.549 4.719 -0.170 19052 3775 1 14 . 1 1 518 518 TRP C C 518 174.443 174.443 176.368 -1.925 19052 3776 1 14 . 1 1 518 518 TRP CA C 518 57.822 57.822 56.044 1.778 19052 3777 1 14 . 1 1 518 518 TRP CB C 518 29.912 29.912 31.155 -1.243 19052 3778 1 14 . 1 1 518 518 TRP H H 518 7.641 7.641 7.270 0.371 19052 3779 1 14 . 1 1 519 519 THR N N 519 112.242 112.242 120.511 -8.269 19052 3780 1 14 . 1 1 519 519 THR HA H 519 4.340 4.340 3.787 0.553 19052 3781 1 14 . 1 1 519 519 THR C C 519 175.579 175.579 174.648 0.931 19052 3782 1 14 . 1 1 519 519 THR CA C 519 61.791 61.791 65.024 -3.233 19052 3783 1 14 . 1 1 519 519 THR CB C 519 70.049 70.049 68.809 1.240 19052 3784 1 14 . 1 1 519 519 THR H H 519 7.887 7.887 8.399 -0.512 19052 3785 1 14 . 1 1 520 520 THR N N 520 114.383 114.383 109.702 4.681 19052 3786 1 14 . 1 1 520 520 THR HA H 520 4.245 4.245 4.276 -0.031 19052 3787 1 14 . 1 1 520 520 THR C C 520 175.402 175.402 172.886 2.516 19052 3788 1 14 . 1 1 520 520 THR CA C 520 62.140 62.140 62.340 -0.200 19052 3789 1 14 . 1 1 520 520 THR CB C 520 69.994 69.994 68.928 1.066 19052 3790 1 14 . 1 1 520 520 THR H H 520 7.936 7.936 7.609 0.327 19052 3791 1 14 . 1 1 521 521 GLN N N 521 121.482 121.482 122.169 -0.687 19052 3792 1 14 . 1 1 521 521 GLN HA H 521 4.167 4.167 4.205 -0.038 19052 3793 1 14 . 1 1 521 521 GLN C C 521 174.280 174.280 175.390 -1.110 19052 3794 1 14 . 1 1 521 521 GLN CA C 521 56.569 56.569 57.248 -0.679 19052 3795 1 14 . 1 1 521 521 GLN CB C 521 29.357 29.357 29.677 -0.320 19052 3796 1 14 . 1 1 521 521 GLN H H 521 8.238 8.238 8.018 0.220 19052 3797 1 14 . 1 1 522 522 ASP N N 522 120.331 120.331 121.841 -1.510 19052 3798 1 14 . 1 1 522 522 ASP HA H 522 4.436 4.436 4.330 0.106 19052 3799 1 14 . 1 1 522 522 ASP C C 522 173.622 173.622 176.431 -2.809 19052 3800 1 14 . 1 1 522 522 ASP CA C 522 55.067 55.067 55.362 -0.295 19052 3801 1 14 . 1 1 522 522 ASP CB C 522 41.079 41.079 39.725 1.354 19052 3802 1 14 . 1 1 522 522 ASP H H 522 8.151 8.151 8.664 -0.513 19052 3803 1 14 . 1 1 523 523 GLU N N 523 120.580 120.580 123.330 -2.750 19052 3804 1 14 . 1 1 523 523 GLU HA H 523 4.086 4.086 3.977 0.109 19052 3805 1 14 . 1 1 523 523 GLU C C 523 173.037 173.037 176.210 -3.173 19052 3806 1 14 . 1 1 523 523 GLU CA C 523 57.580 57.580 54.910 2.670 19052 3807 1 14 . 1 1 523 523 GLU CB C 523 29.542 29.542 27.156 2.386 19052 3808 1 14 . 1 1 523 523 GLU H H 523 8.261 8.261 8.079 0.182 19052 3809 1 14 . 1 1 524 524 GLY N N 524 108.383 108.383 107.632 0.751 19052 3810 1 14 . 1 1 524 524 GLY C C 524 175.981 175.981 174.335 1.646 19052 3811 1 14 . 1 1 524 524 GLY CA C 524 45.936 45.936 45.032 0.903 19052 3812 1 14 . 1 1 524 524 GLY H H 524 8.287 8.287 7.747 0.540 19052 3813 1 14 . 1 1 525 525 ALA N N 525 122.951 122.951 123.568 -0.617 19052 3814 1 14 . 1 1 525 525 ALA HA H 525 4.150 4.150 4.289 -0.139 19052 3815 1 14 . 1 1 525 525 ALA C C 525 172.507 172.507 177.287 -4.780 19052 3816 1 14 . 1 1 525 525 ALA CA C 525 53.068 53.068 51.275 1.793 19052 3817 1 14 . 1 1 525 525 ALA CB C 525 19.406 19.406 16.777 2.629 19052 3818 1 14 . 1 1 525 525 ALA H H 525 7.846 7.846 7.952 -0.106 19052 3819 1 14 . 1 1 526 526 ALA N N 526 122.022 122.022 121.721 0.301 19052 3820 1 14 . 1 1 526 526 ALA HA H 526 4.181 4.181 3.867 0.314 19052 3821 1 14 . 1 1 526 526 ALA C C 526 172.070 172.070 176.324 -4.254 19052 3822 1 14 . 1 1 526 526 ALA CA C 526 53.158 53.158 52.954 0.204 19052 3823 1 14 . 1 1 526 526 ALA CB C 526 19.271 19.271 17.841 1.430 19052 3824 1 14 . 1 1 526 526 ALA H H 526 8.014 8.014 8.399 -0.385 19052 3825 1 14 . 1 1 527 527 ILE N N 527 118.520 118.520 119.521 -1.001 19052 3826 1 14 . 1 1 527 527 ILE HA H 527 3.887 3.887 4.064 -0.177 19052 3827 1 14 . 1 1 527 527 ILE C C 527 173.664 173.664 176.653 -2.989 19052 3828 1 14 . 1 1 527 527 ILE CA C 527 62.221 62.221 61.851 0.370 19052 3829 1 14 . 1 1 527 527 ILE CB C 527 38.735 38.735 37.877 0.858 19052 3830 1 14 . 1 1 527 527 ILE H H 527 7.907 7.907 8.050 -0.143 19052 3831 1 14 . 1 1 528 528 GLY N N 528 109.901 109.901 109.101 0.800 19052 3832 1 14 . 1 1 528 528 GLY C C 528 175.853 175.853 174.592 1.261 19052 3833 1 14 . 1 1 528 528 GLY CA C 528 46.143 46.143 46.105 0.038 19052 3834 1 14 . 1 1 528 528 GLY H H 528 8.251 8.251 8.269 -0.018 19052 3835 1 14 . 1 1 529 529 ALA N N 529 122.244 122.244 121.239 1.005 19052 3836 1 14 . 1 1 529 529 ALA HA H 529 3.997 3.997 3.865 0.132 19052 3837 1 14 . 1 1 529 529 ALA C C 529 171.603 171.603 176.472 -4.869 19052 3838 1 14 . 1 1 529 529 ALA CA C 529 54.036 54.036 53.012 1.024 19052 3839 1 14 . 1 1 529 529 ALA CB C 529 19.173 19.173 17.680 1.493 19052 3840 1 14 . 1 1 529 529 ALA H H 529 7.968 7.968 7.533 0.435 19052 3841 1 14 . 1 1 530 530 ALA N N 530 119.150 119.150 118.097 1.053 19052 3842 1 14 . 1 1 530 530 ALA HA H 530 4.055 4.055 3.712 0.343 19052 3843 1 14 . 1 1 530 530 ALA C C 530 172.413 172.413 175.943 -3.530 19052 3844 1 14 . 1 1 530 530 ALA CA C 530 53.591 53.591 51.385 2.206 19052 3845 1 14 . 1 1 530 530 ALA CB C 530 19.102 19.102 18.665 0.438 19052 3846 1 14 . 1 1 530 530 ALA H H 530 8.161 8.161 7.496 0.665 19052 3847 1 14 . 1 1 531 531 TRP N N 531 115.703 115.703 115.644 0.059 19052 3848 1 14 . 1 1 531 531 TRP HA H 531 4.525 4.525 4.230 0.295 19052 3849 1 14 . 1 1 531 531 TRP C C 531 173.708 173.708 174.903 -1.195 19052 3850 1 14 . 1 1 531 531 TRP CA C 531 57.449 57.449 56.941 0.508 19052 3851 1 14 . 1 1 531 531 TRP CB C 531 30.079 30.079 26.304 3.775 19052 3852 1 14 . 1 1 531 531 TRP H H 531 7.758 7.758 7.994 -0.236 19052 3853 1 14 . 1 1 532 532 ILE N N 532 120.648 120.648 118.101 2.547 19052 3854 1 14 . 1 1 532 532 ILE HA H 532 3.814 3.814 4.372 -0.558 19052 3855 1 14 . 1 1 532 532 ILE CA C 532 63.978 63.978 58.441 5.537 19052 3856 1 14 . 1 1 532 532 ILE CB C 532 37.291 37.291 38.272 -0.981 19052 3857 1 14 . 1 1 532 532 ILE H H 532 7.515 7.515 7.868 -0.353 19052 3858 1 14 . 1 1 533 533 PRO HA H 533 4.199 4.199 4.231 -0.032 19052 3859 1 14 . 1 1 533 533 PRO C C 533 173.380 173.380 177.335 -3.955 19052 3860 1 14 . 1 1 533 533 PRO CA C 533 64.877 64.877 64.645 0.232 19052 3861 1 14 . 1 1 533 533 PRO CB C 533 31.795 31.795 30.890 0.905 19052 3862 1 14 . 1 1 534 534 TYR N N 534 114.701 114.701 117.168 -2.467 19052 3863 1 14 . 1 1 534 534 TYR HA H 534 4.127 4.127 4.268 -0.141 19052 3864 1 14 . 1 1 534 534 TYR C C 534 174.356 174.356 177.231 -2.875 19052 3865 1 14 . 1 1 534 534 TYR CA C 534 60.153 60.153 60.488 -0.335 19052 3866 1 14 . 1 1 534 534 TYR CB C 534 38.665 38.665 38.236 0.429 19052 3867 1 14 . 1 1 534 534 TYR H H 534 7.558 7.558 7.951 -0.393 19052 3868 1 14 . 1 1 535 535 PHE N N 535 116.978 116.978 112.440 4.538 19052 3869 1 14 . 1 1 535 535 PHE HA H 535 4.381 4.381 4.987 -0.606 19052 3870 1 14 . 1 1 535 535 PHE C C 535 174.160 174.160 176.213 -2.053 19052 3871 1 14 . 1 1 535 535 PHE CA C 535 59.095 59.095 55.994 3.101 19052 3872 1 14 . 1 1 535 535 PHE CB C 535 40.607 40.607 39.141 1.466 19052 3873 1 14 . 1 1 535 535 PHE H H 535 8.003 8.003 7.007 0.996 19052 3874 1 14 . 1 1 536 536 GLY N N 536 107.091 107.091 112.065 -4.974 19052 3875 1 14 . 1 1 536 536 GLY CA C 536 47.335 47.335 46.588 0.747 19052 3876 1 14 . 1 1 536 536 GLY H H 536 8.130 8.130 8.693 -0.563 19052 3877 1 14 . 1 1 537 537 PRO HA H 537 4.244 4.244 4.607 -0.363 19052 3878 1 14 . 1 1 537 537 PRO C C 537 171.319 171.319 175.682 -4.363 19052 3879 1 14 . 1 1 537 537 PRO CA C 537 65.023 65.023 63.351 1.672 19052 3880 1 14 . 1 1 537 537 PRO CB C 537 31.842 31.842 30.831 1.011 19052 3881 1 14 . 1 1 538 538 ALA N N 538 120.335 120.335 118.795 1.540 19052 3882 1 14 . 1 1 538 538 ALA HA H 538 4.104 4.104 4.598 -0.494 19052 3883 1 14 . 1 1 538 538 ALA C C 538 171.431 171.431 176.311 -4.880 19052 3884 1 14 . 1 1 538 538 ALA CA C 538 54.534 54.534 52.180 2.354 19052 3885 1 14 . 1 1 538 538 ALA CB C 538 18.866 18.866 20.610 -1.744 19052 3886 1 14 . 1 1 538 538 ALA H H 538 7.913 7.913 7.976 -0.063 19052 3887 1 14 . 1 1 539 539 ALA N N 539 120.016 120.016 119.403 0.613 19052 3888 1 14 . 1 1 539 539 ALA HA H 539 3.916 3.916 4.776 -0.860 19052 3889 1 14 . 1 1 539 539 ALA C C 539 171.593 171.593 177.038 -5.445 19052 3890 1 14 . 1 1 539 539 ALA CA C 539 54.669 54.669 52.798 1.871 19052 3891 1 14 . 1 1 539 539 ALA CB C 539 18.929 18.929 20.349 -1.420 19052 3892 1 14 . 1 1 539 539 ALA H H 539 8.105 8.105 7.519 0.586 19052 3893 1 14 . 1 1 540 540 GLU N N 540 116.288 116.288 120.887 -4.599 19052 3894 1 14 . 1 1 540 540 GLU HA H 540 3.922 3.922 4.417 -0.495 19052 3895 1 14 . 1 1 540 540 GLU C C 540 171.649 171.649 177.063 -5.414 19052 3896 1 14 . 1 1 540 540 GLU CA C 540 59.055 59.055 56.224 2.831 19052 3897 1 14 . 1 1 540 540 GLU CB C 540 29.335 29.335 27.741 1.595 19052 3898 1 14 . 1 1 540 540 GLU H H 540 8.081 8.081 8.571 -0.490 19052 3899 1 14 . 1 1 541 541 GLY N N 541 107.262 107.262 108.993 -1.731 19052 3900 1 14 . 1 1 541 541 GLY C C 541 174.868 174.868 174.968 -0.100 19052 3901 1 14 . 1 1 541 541 GLY CA C 541 46.506 46.506 45.699 0.807 19052 3902 1 14 . 1 1 541 541 GLY H H 541 8.063 8.063 9.161 -1.098 19052 3903 1 14 . 1 1 542 542 ILE N N 542 120.614 120.614 121.394 -0.780 19052 3904 1 14 . 1 1 542 542 ILE HA H 542 3.760 3.760 3.591 0.169 19052 3905 1 14 . 1 1 542 542 ILE C C 542 173.000 173.000 176.206 -3.206 19052 3906 1 14 . 1 1 542 542 ILE CA C 542 64.103 64.103 63.833 0.270 19052 3907 1 14 . 1 1 542 542 ILE CB C 542 38.394 38.394 37.813 0.581 19052 3908 1 14 . 1 1 542 542 ILE H H 542 7.843 7.843 8.068 -0.225 19052 3909 1 14 . 1 1 543 543 TYR N N 543 120.210 120.210 117.312 2.898 19052 3910 1 14 . 1 1 543 543 TYR HA H 543 4.178 4.178 4.127 0.051 19052 3911 1 14 . 1 1 543 543 TYR C C 543 173.268 173.268 176.853 -3.585 19052 3912 1 14 . 1 1 543 543 TYR CA C 543 60.547 60.547 59.396 1.151 19052 3913 1 14 . 1 1 543 543 TYR CB C 543 38.923 38.923 35.876 3.047 19052 3914 1 14 . 1 1 543 543 TYR H H 543 8.027 8.027 8.452 -0.425 19052 3915 1 14 . 1 1 544 544 ALA N N 544 121.025 121.025 121.234 -0.209 19052 3916 1 14 . 1 1 544 544 ALA HA H 544 3.953 3.953 3.764 0.189 19052 3917 1 14 . 1 1 544 544 ALA C C 544 171.072 171.072 179.215 -8.143 19052 3918 1 14 . 1 1 544 544 ALA CA C 544 54.440 54.440 53.925 0.515 19052 3919 1 14 . 1 1 544 544 ALA CB C 544 19.028 19.028 17.733 1.295 19052 3920 1 14 . 1 1 544 544 ALA H H 544 8.079 8.079 7.119 0.960 19052 3921 1 14 . 1 1 545 545 GLU N N 545 116.132 116.132 119.487 -3.355 19052 3922 1 14 . 1 1 545 545 GLU HA H 545 4.096 4.096 4.040 0.056 19052 3923 1 14 . 1 1 545 545 GLU C C 545 172.525 172.525 178.239 -5.714 19052 3924 1 14 . 1 1 545 545 GLU CA C 545 57.355 57.355 57.427 -0.072 19052 3925 1 14 . 1 1 545 545 GLU CB C 545 29.517 29.517 29.867 -0.350 19052 3926 1 14 . 1 1 545 545 GLU H H 545 7.880 7.880 8.222 -0.342 19052 3927 1 14 . 1 1 546 546 GLY N N 546 107.283 107.283 110.033 -2.750 19052 3928 1 14 . 1 1 546 546 GLY C C 546 175.638 175.638 174.140 1.498 19052 3929 1 14 . 1 1 546 546 GLY CA C 546 46.241 46.241 45.852 0.389 19052 3930 1 14 . 1 1 546 546 GLY H H 546 8.028 8.028 8.180 -0.152 19052 3931 1 14 . 1 1 547 547 LEU N N 547 119.944 119.944 115.558 4.386 19052 3932 1 14 . 1 1 547 547 LEU HA H 547 4.127 4.127 4.659 -0.532 19052 3933 1 14 . 1 1 547 547 LEU C C 547 172.747 172.747 176.173 -3.426 19052 3934 1 14 . 1 1 547 547 LEU CA C 547 56.418 56.418 55.536 0.882 19052 3935 1 14 . 1 1 547 547 LEU CB C 547 42.717 42.717 42.799 -0.082 19052 3936 1 14 . 1 1 547 547 LEU H H 547 7.865 7.865 8.350 -0.485 19052 3937 1 14 . 1 1 548 548 MET N N 548 115.796 115.796 112.761 3.035 19052 3938 1 14 . 1 1 548 548 MET HA H 548 4.231 4.231 4.666 -0.435 19052 3939 1 14 . 1 1 548 548 MET C C 548 173.854 173.854 176.344 -2.490 19052 3940 1 14 . 1 1 548 548 MET CA C 548 55.914 55.914 56.719 -0.805 19052 3941 1 14 . 1 1 548 548 MET CB C 548 32.474 32.474 33.392 -0.919 19052 3942 1 14 . 1 1 548 548 MET H H 548 7.958 7.958 8.608 -0.650 19052 3943 1 14 . 1 1 549 549 HIS N N 549 116.928 116.928 120.375 -3.447 19052 3944 1 14 . 1 1 549 549 HIS HA H 549 4.572 4.572 4.484 0.088 19052 3945 1 14 . 1 1 549 549 HIS C C 549 175.817 175.817 176.335 -0.518 19052 3946 1 14 . 1 1 549 549 HIS CA C 549 55.746 55.746 58.673 -2.927 19052 3947 1 14 . 1 1 549 549 HIS CB C 549 28.918 28.918 29.090 -0.172 19052 3948 1 14 . 1 1 549 549 HIS H H 549 8.059 8.059 8.480 -0.421 19052 3949 1 14 . 1 1 550 550 ASN N N 550 118.413 118.413 115.531 2.882 19052 3950 1 14 . 1 1 550 550 ASN HA H 550 4.554 4.554 4.665 -0.111 19052 3951 1 14 . 1 1 550 550 ASN C C 550 174.738 174.738 175.751 -1.013 19052 3952 1 14 . 1 1 550 550 ASN CA C 550 53.874 53.874 52.911 0.963 19052 3953 1 14 . 1 1 550 550 ASN CB C 550 38.883 38.883 37.805 1.078 19052 3954 1 14 . 1 1 550 550 ASN H H 550 8.222 8.222 8.568 -0.346 19052 3955 1 14 . 1 1 551 551 GLN N N 551 119.844 119.844 119.922 -0.078 19052 3956 1 14 . 1 1 551 551 GLN HA H 551 4.217 4.217 4.161 0.056 19052 3957 1 14 . 1 1 551 551 GLN C C 551 173.745 173.745 175.830 -2.085 19052 3958 1 14 . 1 1 551 551 GLN CA C 551 56.477 56.477 56.745 -0.268 19052 3959 1 14 . 1 1 551 551 GLN CB C 551 29.046 29.046 28.972 0.074 19052 3960 1 14 . 1 1 551 551 GLN H H 551 8.336 8.336 7.880 0.456 19052 3961 1 14 . 1 1 552 552 ASP N N 552 119.497 119.497 117.203 2.294 19052 3962 1 14 . 1 1 552 552 ASP HA H 552 4.434 4.434 4.706 -0.272 19052 3963 1 14 . 1 1 552 552 ASP C C 552 173.446 173.446 176.419 -2.973 19052 3964 1 14 . 1 1 552 552 ASP CA C 552 55.146 55.146 54.257 0.889 19052 3965 1 14 . 1 1 552 552 ASP CB C 552 41.174 41.174 42.878 -1.704 19052 3966 1 14 . 1 1 552 552 ASP H H 552 8.192 8.192 8.435 -0.243 19052 3967 1 14 . 1 1 553 553 GLY N N 553 107.920 107.920 107.091 0.829 19052 3968 1 14 . 1 1 553 553 GLY C C 553 175.627 175.627 174.782 0.845 19052 3969 1 14 . 1 1 553 553 GLY CA C 553 45.791 45.791 44.950 0.841 19052 3970 1 14 . 1 1 553 553 GLY H H 553 8.114 8.114 7.760 0.354 19052 3971 1 14 . 1 1 554 554 LEU N N 554 121.436 121.436 117.892 3.544 19052 3972 1 14 . 1 1 554 554 LEU HA H 554 4.150 4.150 4.067 0.083 19052 3973 1 14 . 1 1 554 554 LEU C C 554 172.742 172.742 177.427 -4.685 19052 3974 1 14 . 1 1 554 554 LEU CA C 554 56.520 56.520 56.744 -0.224 19052 3975 1 14 . 1 1 554 554 LEU CB C 554 42.857 42.857 41.429 1.427 19052 3976 1 14 . 1 1 554 554 LEU H H 554 8.055 8.055 7.760 0.295 19052 3977 1 14 . 1 1 555 555 ILE N N 555 117.147 117.147 115.178 1.969 19052 3978 1 14 . 1 1 555 555 ILE HA H 555 3.947 3.947 3.868 0.079 19052 3979 1 14 . 1 1 555 555 ILE C C 555 174.354 174.354 176.341 -1.987 19052 3980 1 14 . 1 1 555 555 ILE CA C 555 62.214 62.214 61.627 0.587 19052 3981 1 14 . 1 1 555 555 ILE CB C 555 38.447 38.447 35.377 3.070 19052 3982 1 14 . 1 1 555 555 ILE H H 555 7.946 7.946 7.940 0.006 19052 3983 1 14 . 1 1 556 556 CYS N N 556 119.354 119.354 124.579 -5.225 19052 3984 1 14 . 1 1 556 556 CYS HA H 556 4.439 4.439 4.263 0.176 19052 3985 1 14 . 1 1 556 556 CYS C C 556 174.864 174.864 176.359 -1.495 19052 3986 1 14 . 1 1 556 556 CYS CA C 556 55.915 55.915 61.059 -5.144 19052 3987 1 14 . 1 1 556 556 CYS CB C 556 40.902 40.902 27.513 13.389 19052 3988 1 14 . 1 1 556 556 CYS H H 556 8.193 8.193 8.731 -0.538 19052 3989 1 14 . 1 1 557 557 GLY N N 557 108.370 108.370 108.509 -0.139 19052 3990 1 14 . 1 1 557 557 GLY C C 557 176.365 176.365 174.496 1.869 19052 3991 1 14 . 1 1 557 557 GLY CA C 557 45.923 45.923 45.980 -0.057 19052 3992 1 14 . 1 1 557 557 GLY H H 557 8.112 8.112 8.309 -0.197 19052 3993 1 14 . 1 1 558 558 LEU N N 558 120.302 120.302 113.212 7.090 19052 3994 1 14 . 1 1 558 558 LEU HA H 558 4.209 4.209 4.681 -0.472 19052 3995 1 14 . 1 1 558 558 LEU C C 558 173.387 173.387 174.895 -1.508 19052 3996 1 14 . 1 1 558 558 LEU CA C 558 55.568 55.568 54.975 0.593 19052 3997 1 14 . 1 1 558 558 LEU CB C 558 42.943 42.943 43.626 -0.683 19052 3998 1 14 . 1 1 558 558 LEU H H 558 7.816 7.816 7.522 0.294 19052 3999 1 14 . 1 1 559 559 ARG N N 559 119.826 119.826 117.982 1.844 19052 4000 1 14 . 1 1 559 559 ARG HA H 559 4.246 4.246 4.317 -0.071 19052 4001 1 14 . 1 1 559 559 ARG C C 559 175.047 175.047 174.323 0.724 19052 4002 1 14 . 1 1 559 559 ARG CA C 559 55.858 55.858 55.999 -0.141 19052 4003 1 14 . 1 1 559 559 ARG CB C 559 30.806 30.806 29.401 1.405 19052 4004 1 14 . 1 1 559 559 ARG H H 559 7.996 7.996 8.071 -0.075 19052 4005 1 15 . 1 1 508 508 GLN N N 508 120.688 120.688 122.367 -1.679 19052 4006 1 15 . 1 1 508 508 GLN HA H 508 4.590 4.590 4.650 -0.060 19052 4007 1 15 . 1 1 508 508 GLN CA C 508 53.781 53.781 53.795 -0.014 19052 4008 1 15 . 1 1 508 508 GLN CB C 508 29.074 29.074 29.481 -0.407 19052 4009 1 15 . 1 1 508 508 GLN H H 508 8.558 8.558 8.278 0.280 19052 4010 1 15 . 1 1 509 509 PRO HA H 509 4.322 4.322 4.487 -0.165 19052 4011 1 15 . 1 1 509 509 PRO C C 509 173.716 173.716 176.170 -2.454 19052 4012 1 15 . 1 1 509 509 PRO CA C 509 63.284 63.284 62.669 0.615 19052 4013 1 15 . 1 1 509 509 PRO CB C 509 32.273 32.273 31.878 0.394 19052 4014 1 15 . 1 1 510 510 LYS N N 510 121.212 121.212 115.815 5.397 19052 4015 1 15 . 1 1 510 510 LYS HA H 510 4.205 4.205 4.023 0.182 19052 4016 1 15 . 1 1 510 510 LYS C C 510 173.988 173.988 175.131 -1.143 19052 4017 1 15 . 1 1 510 510 LYS CA C 510 56.301 56.301 57.636 -1.335 19052 4018 1 15 . 1 1 510 510 LYS CB C 510 33.419 33.419 30.514 2.905 19052 4019 1 15 . 1 1 510 510 LYS H H 510 8.322 8.322 8.274 0.048 19052 4020 1 15 . 1 1 511 511 CYS N N 511 119.342 119.342 112.040 7.302 19052 4021 1 15 . 1 1 511 511 CYS HA H 511 4.558 4.558 4.692 -0.134 19052 4022 1 15 . 1 1 511 511 CYS C C 511 176.901 176.901 173.420 3.481 19052 4023 1 15 . 1 1 511 511 CYS CA C 511 55.516 55.516 56.863 -1.347 19052 4024 1 15 . 1 1 511 511 CYS CB C 511 41.836 41.836 26.800 15.036 19052 4025 1 15 . 1 1 511 511 CYS H H 511 8.269 8.269 8.035 0.234 19052 4026 1 15 . 1 1 512 512 ASN N N 512 122.311 122.311 119.871 2.440 19052 4027 1 15 . 1 1 512 512 ASN HA H 512 4.890 4.890 5.192 -0.302 19052 4028 1 15 . 1 1 512 512 ASN CA C 512 51.259 51.259 51.128 0.131 19052 4029 1 15 . 1 1 512 512 ASN CB C 512 39.388 39.388 39.784 -0.396 19052 4030 1 15 . 1 1 512 512 ASN H H 512 8.605 8.605 7.842 0.763 19052 4031 1 15 . 1 1 513 513 PRO HA H 513 4.295 4.295 4.431 -0.136 19052 4032 1 15 . 1 1 513 513 PRO C C 513 173.951 173.951 176.379 -2.428 19052 4033 1 15 . 1 1 513 513 PRO CA C 513 63.657 63.657 64.107 -0.450 19052 4034 1 15 . 1 1 513 513 PRO CB C 513 32.188 32.188 32.546 -0.358 19052 4035 1 15 . 1 1 514 514 ASN N N 514 117.512 117.512 113.156 4.356 19052 4036 1 15 . 1 1 514 514 ASN HA H 514 4.539 4.539 4.812 -0.273 19052 4037 1 15 . 1 1 514 514 ASN C C 514 175.348 175.348 173.765 1.583 19052 4038 1 15 . 1 1 514 514 ASN CA C 514 53.557 53.557 53.386 0.171 19052 4039 1 15 . 1 1 514 514 ASN CB C 514 39.195 39.195 41.267 -2.072 19052 4040 1 15 . 1 1 514 514 ASN H H 514 8.288 8.288 7.977 0.311 19052 4041 1 15 . 1 1 515 515 LEU N N 515 121.066 121.066 115.496 5.570 19052 4042 1 15 . 1 1 515 515 LEU HA H 515 4.157 4.157 3.869 0.288 19052 4043 1 15 . 1 1 515 515 LEU C C 515 173.686 173.686 175.355 -1.669 19052 4044 1 15 . 1 1 515 515 LEU CA C 515 55.344 55.344 55.641 -0.297 19052 4045 1 15 . 1 1 515 515 LEU CB C 515 42.525 42.525 39.775 2.751 19052 4046 1 15 . 1 1 515 515 LEU H H 515 7.773 7.773 7.713 0.060 19052 4047 1 15 . 1 1 516 516 HIS N N 516 117.512 117.512 116.189 1.323 19052 4048 1 15 . 1 1 516 516 HIS HA H 516 4.438 4.438 4.627 -0.189 19052 4049 1 15 . 1 1 516 516 HIS C C 516 175.736 175.736 176.083 -0.347 19052 4050 1 15 . 1 1 516 516 HIS CA C 516 55.806 55.806 57.167 -1.361 19052 4051 1 15 . 1 1 516 516 HIS CB C 516 28.903 28.903 30.959 -2.056 19052 4052 1 15 . 1 1 516 516 HIS H H 516 8.109 8.109 8.479 -0.370 19052 4053 1 15 . 1 1 517 517 TYR N N 517 120.068 120.068 117.496 2.572 19052 4054 1 15 . 1 1 517 517 TYR HA H 517 4.206 4.206 4.454 -0.247 19052 4055 1 15 . 1 1 517 517 TYR C C 517 174.847 174.847 175.193 -0.346 19052 4056 1 15 . 1 1 517 517 TYR CA C 517 59.252 59.252 56.664 2.588 19052 4057 1 15 . 1 1 517 517 TYR CB C 517 39.066 39.066 37.799 1.267 19052 4058 1 15 . 1 1 517 517 TYR H H 517 8.070 8.070 7.515 0.555 19052 4059 1 15 . 1 1 518 518 TRP N N 518 118.503 118.503 122.582 -4.079 19052 4060 1 15 . 1 1 518 518 TRP HA H 518 4.549 4.549 4.737 -0.188 19052 4061 1 15 . 1 1 518 518 TRP C C 518 174.443 174.443 176.374 -1.931 19052 4062 1 15 . 1 1 518 518 TRP CA C 518 57.822 57.822 56.018 1.804 19052 4063 1 15 . 1 1 518 518 TRP CB C 518 29.912 29.912 31.299 -1.387 19052 4064 1 15 . 1 1 518 518 TRP H H 518 7.641 7.641 7.186 0.455 19052 4065 1 15 . 1 1 519 519 THR N N 519 112.242 112.242 120.084 -7.842 19052 4066 1 15 . 1 1 519 519 THR HA H 519 4.340 4.340 3.770 0.570 19052 4067 1 15 . 1 1 519 519 THR C C 519 175.579 175.579 174.408 1.171 19052 4068 1 15 . 1 1 519 519 THR CA C 519 61.791 61.791 65.266 -3.475 19052 4069 1 15 . 1 1 519 519 THR CB C 519 70.049 70.049 68.640 1.409 19052 4070 1 15 . 1 1 519 519 THR H H 519 7.887 7.887 8.372 -0.485 19052 4071 1 15 . 1 1 520 520 THR N N 520 114.383 114.383 109.319 5.064 19052 4072 1 15 . 1 1 520 520 THR HA H 520 4.245 4.245 4.284 -0.039 19052 4073 1 15 . 1 1 520 520 THR C C 520 175.402 175.402 172.588 2.814 19052 4074 1 15 . 1 1 520 520 THR CA C 520 62.140 62.140 62.258 -0.118 19052 4075 1 15 . 1 1 520 520 THR CB C 520 69.994 69.994 69.120 0.874 19052 4076 1 15 . 1 1 520 520 THR H H 520 7.936 7.936 7.529 0.407 19052 4077 1 15 . 1 1 521 521 GLN N N 521 121.482 121.482 122.038 -0.556 19052 4078 1 15 . 1 1 521 521 GLN HA H 521 4.167 4.167 4.157 0.010 19052 4079 1 15 . 1 1 521 521 GLN C C 521 174.280 174.280 175.191 -0.911 19052 4080 1 15 . 1 1 521 521 GLN CA C 521 56.569 56.569 56.562 0.007 19052 4081 1 15 . 1 1 521 521 GLN CB C 521 29.357 29.357 29.243 0.114 19052 4082 1 15 . 1 1 521 521 GLN H H 521 8.238 8.238 7.981 0.257 19052 4083 1 15 . 1 1 522 522 ASP N N 522 120.331 120.331 121.906 -1.575 19052 4084 1 15 . 1 1 522 522 ASP HA H 522 4.436 4.436 4.344 0.092 19052 4085 1 15 . 1 1 522 522 ASP C C 522 173.622 173.622 176.484 -2.862 19052 4086 1 15 . 1 1 522 522 ASP CA C 522 55.067 55.067 55.520 -0.453 19052 4087 1 15 . 1 1 522 522 ASP CB C 522 41.079 41.079 39.668 1.411 19052 4088 1 15 . 1 1 522 522 ASP H H 522 8.151 8.151 8.694 -0.543 19052 4089 1 15 . 1 1 523 523 GLU N N 523 120.580 120.580 123.309 -2.729 19052 4090 1 15 . 1 1 523 523 GLU HA H 523 4.086 4.086 4.116 -0.030 19052 4091 1 15 . 1 1 523 523 GLU C C 523 173.037 173.037 176.515 -3.478 19052 4092 1 15 . 1 1 523 523 GLU CA C 523 57.580 57.580 55.092 2.488 19052 4093 1 15 . 1 1 523 523 GLU CB C 523 29.542 29.542 27.223 2.319 19052 4094 1 15 . 1 1 523 523 GLU H H 523 8.261 8.261 8.147 0.114 19052 4095 1 15 . 1 1 524 524 GLY N N 524 108.383 108.383 109.242 -0.859 19052 4096 1 15 . 1 1 524 524 GLY C C 524 175.981 175.981 174.026 1.955 19052 4097 1 15 . 1 1 524 524 GLY CA C 524 45.936 45.936 45.278 0.658 19052 4098 1 15 . 1 1 524 524 GLY H H 524 8.287 8.287 7.945 0.342 19052 4099 1 15 . 1 1 525 525 ALA N N 525 122.951 122.951 123.453 -0.502 19052 4100 1 15 . 1 1 525 525 ALA HA H 525 4.150 4.150 4.356 -0.206 19052 4101 1 15 . 1 1 525 525 ALA C C 525 172.507 172.507 177.353 -4.846 19052 4102 1 15 . 1 1 525 525 ALA CA C 525 53.068 53.068 50.995 2.074 19052 4103 1 15 . 1 1 525 525 ALA CB C 525 19.406 19.406 16.697 2.709 19052 4104 1 15 . 1 1 525 525 ALA H H 525 7.846 7.846 7.759 0.087 19052 4105 1 15 . 1 1 526 526 ALA N N 526 122.022 122.022 121.788 0.234 19052 4106 1 15 . 1 1 526 526 ALA HA H 526 4.181 4.181 3.897 0.284 19052 4107 1 15 . 1 1 526 526 ALA C C 526 172.070 172.070 176.367 -4.297 19052 4108 1 15 . 1 1 526 526 ALA CA C 526 53.158 53.158 52.982 0.176 19052 4109 1 15 . 1 1 526 526 ALA CB C 526 19.271 19.271 17.870 1.401 19052 4110 1 15 . 1 1 526 526 ALA H H 526 8.014 8.014 8.372 -0.358 19052 4111 1 15 . 1 1 527 527 ILE N N 527 118.520 118.520 119.488 -0.968 19052 4112 1 15 . 1 1 527 527 ILE HA H 527 3.887 3.887 4.095 -0.208 19052 4113 1 15 . 1 1 527 527 ILE C C 527 173.664 173.664 176.681 -3.017 19052 4114 1 15 . 1 1 527 527 ILE CA C 527 62.221 62.221 61.831 0.390 19052 4115 1 15 . 1 1 527 527 ILE CB C 527 38.735 38.735 37.921 0.814 19052 4116 1 15 . 1 1 527 527 ILE H H 527 7.907 7.907 8.017 -0.110 19052 4117 1 15 . 1 1 528 528 GLY N N 528 109.901 109.901 109.056 0.845 19052 4118 1 15 . 1 1 528 528 GLY C C 528 175.853 175.853 174.621 1.232 19052 4119 1 15 . 1 1 528 528 GLY CA C 528 46.143 46.143 46.166 -0.023 19052 4120 1 15 . 1 1 528 528 GLY H H 528 8.251 8.251 8.294 -0.043 19052 4121 1 15 . 1 1 529 529 ALA N N 529 122.244 122.244 121.335 0.909 19052 4122 1 15 . 1 1 529 529 ALA HA H 529 3.997 3.997 3.904 0.093 19052 4123 1 15 . 1 1 529 529 ALA C C 529 171.603 171.603 176.500 -4.897 19052 4124 1 15 . 1 1 529 529 ALA CA C 529 54.036 54.036 53.023 1.013 19052 4125 1 15 . 1 1 529 529 ALA CB C 529 19.173 19.173 17.623 1.550 19052 4126 1 15 . 1 1 529 529 ALA H H 529 7.968 7.968 7.535 0.433 19052 4127 1 15 . 1 1 530 530 ALA N N 530 119.150 119.150 118.211 0.939 19052 4128 1 15 . 1 1 530 530 ALA HA H 530 4.055 4.055 3.751 0.304 19052 4129 1 15 . 1 1 530 530 ALA C C 530 172.413 172.413 176.010 -3.597 19052 4130 1 15 . 1 1 530 530 ALA CA C 530 53.591 53.591 51.451 2.140 19052 4131 1 15 . 1 1 530 530 ALA CB C 530 19.102 19.102 18.682 0.420 19052 4132 1 15 . 1 1 530 530 ALA H H 530 8.161 8.161 7.576 0.585 19052 4133 1 15 . 1 1 531 531 TRP N N 531 115.703 115.703 115.661 0.042 19052 4134 1 15 . 1 1 531 531 TRP HA H 531 4.525 4.525 4.297 0.228 19052 4135 1 15 . 1 1 531 531 TRP C C 531 173.708 173.708 175.019 -1.311 19052 4136 1 15 . 1 1 531 531 TRP CA C 531 57.449 57.449 56.992 0.457 19052 4137 1 15 . 1 1 531 531 TRP CB C 531 30.079 30.079 26.353 3.726 19052 4138 1 15 . 1 1 531 531 TRP H H 531 7.758 7.758 8.031 -0.273 19052 4139 1 15 . 1 1 532 532 ILE N N 532 120.648 120.648 118.327 2.321 19052 4140 1 15 . 1 1 532 532 ILE HA H 532 3.814 3.814 4.817 -1.003 19052 4141 1 15 . 1 1 532 532 ILE CA C 532 63.978 63.978 58.786 5.192 19052 4142 1 15 . 1 1 532 532 ILE CB C 532 37.291 37.291 38.492 -1.201 19052 4143 1 15 . 1 1 532 532 ILE H H 532 7.515 7.515 8.011 -0.496 19052 4144 1 15 . 1 1 533 533 PRO HA H 533 4.199 4.199 4.260 -0.061 19052 4145 1 15 . 1 1 533 533 PRO C C 533 173.380 173.380 177.241 -3.861 19052 4146 1 15 . 1 1 533 533 PRO CA C 533 64.877 64.877 65.259 -0.382 19052 4147 1 15 . 1 1 533 533 PRO CB C 533 31.795 31.795 31.120 0.675 19052 4148 1 15 . 1 1 534 534 TYR N N 534 114.701 114.701 117.489 -2.788 19052 4149 1 15 . 1 1 534 534 TYR HA H 534 4.127 4.127 4.335 -0.208 19052 4150 1 15 . 1 1 534 534 TYR C C 534 174.356 174.356 176.890 -2.534 19052 4151 1 15 . 1 1 534 534 TYR CA C 534 60.153 60.153 60.461 -0.307 19052 4152 1 15 . 1 1 534 534 TYR CB C 534 38.665 38.665 38.379 0.286 19052 4153 1 15 . 1 1 534 534 TYR H H 534 7.558 7.558 8.265 -0.707 19052 4154 1 15 . 1 1 535 535 PHE N N 535 116.978 116.978 114.609 2.369 19052 4155 1 15 . 1 1 535 535 PHE HA H 535 4.381 4.381 4.765 -0.384 19052 4156 1 15 . 1 1 535 535 PHE C C 535 174.160 174.160 176.675 -2.515 19052 4157 1 15 . 1 1 535 535 PHE CA C 535 59.095 59.095 57.197 1.898 19052 4158 1 15 . 1 1 535 535 PHE CB C 535 40.607 40.607 40.264 0.343 19052 4159 1 15 . 1 1 535 535 PHE H H 535 8.003 8.003 7.964 0.039 19052 4160 1 15 . 1 1 536 536 GLY N N 536 107.091 107.091 111.210 -4.119 19052 4161 1 15 . 1 1 536 536 GLY CA C 536 47.335 47.335 47.307 0.028 19052 4162 1 15 . 1 1 536 536 GLY H H 536 8.130 8.130 9.009 -0.879 19052 4163 1 15 . 1 1 537 537 PRO HA H 537 4.244 4.244 4.681 -0.437 19052 4164 1 15 . 1 1 537 537 PRO C C 537 171.319 171.319 175.604 -4.285 19052 4165 1 15 . 1 1 537 537 PRO CA C 537 65.023 65.023 63.260 1.764 19052 4166 1 15 . 1 1 537 537 PRO CB C 537 31.842 31.842 31.177 0.665 19052 4167 1 15 . 1 1 538 538 ALA N N 538 120.335 120.335 117.491 2.844 19052 4168 1 15 . 1 1 538 538 ALA HA H 538 4.104 4.104 4.468 -0.364 19052 4169 1 15 . 1 1 538 538 ALA C C 538 171.431 171.431 176.248 -4.817 19052 4170 1 15 . 1 1 538 538 ALA CA C 538 54.534 54.534 51.963 2.571 19052 4171 1 15 . 1 1 538 538 ALA CB C 538 18.866 18.866 20.514 -1.648 19052 4172 1 15 . 1 1 538 538 ALA H H 538 7.913 7.913 7.843 0.070 19052 4173 1 15 . 1 1 539 539 ALA N N 539 120.016 120.016 119.372 0.644 19052 4174 1 15 . 1 1 539 539 ALA HA H 539 3.916 3.916 4.789 -0.873 19052 4175 1 15 . 1 1 539 539 ALA C C 539 171.593 171.593 177.145 -5.552 19052 4176 1 15 . 1 1 539 539 ALA CA C 539 54.669 54.669 52.688 1.981 19052 4177 1 15 . 1 1 539 539 ALA CB C 539 18.929 18.929 20.449 -1.520 19052 4178 1 15 . 1 1 539 539 ALA H H 539 8.105 8.105 7.429 0.676 19052 4179 1 15 . 1 1 540 540 GLU N N 540 116.288 116.288 120.068 -3.780 19052 4180 1 15 . 1 1 540 540 GLU HA H 540 3.922 3.922 4.349 -0.427 19052 4181 1 15 . 1 1 540 540 GLU C C 540 171.649 171.649 177.353 -5.704 19052 4182 1 15 . 1 1 540 540 GLU CA C 540 59.055 59.055 55.704 3.351 19052 4183 1 15 . 1 1 540 540 GLU CB C 540 29.335 29.335 27.711 1.624 19052 4184 1 15 . 1 1 540 540 GLU H H 540 8.081 8.081 8.550 -0.469 19052 4185 1 15 . 1 1 541 541 GLY N N 541 107.262 107.262 109.060 -1.798 19052 4186 1 15 . 1 1 541 541 GLY C C 541 174.868 174.868 174.788 0.080 19052 4187 1 15 . 1 1 541 541 GLY CA C 541 46.506 46.506 45.616 0.890 19052 4188 1 15 . 1 1 541 541 GLY H H 541 8.063 8.063 9.102 -1.039 19052 4189 1 15 . 1 1 542 542 ILE N N 542 120.614 120.614 120.940 -0.326 19052 4190 1 15 . 1 1 542 542 ILE HA H 542 3.760 3.760 3.558 0.202 19052 4191 1 15 . 1 1 542 542 ILE C C 542 173.000 173.000 176.458 -3.458 19052 4192 1 15 . 1 1 542 542 ILE CA C 542 64.103 64.103 63.882 0.221 19052 4193 1 15 . 1 1 542 542 ILE CB C 542 38.394 38.394 37.867 0.527 19052 4194 1 15 . 1 1 542 542 ILE H H 542 7.843 7.843 7.938 -0.095 19052 4195 1 15 . 1 1 543 543 TYR N N 543 120.210 120.210 117.424 2.786 19052 4196 1 15 . 1 1 543 543 TYR HA H 543 4.178 4.178 4.096 0.082 19052 4197 1 15 . 1 1 543 543 TYR C C 543 173.268 173.268 176.932 -3.664 19052 4198 1 15 . 1 1 543 543 TYR CA C 543 60.547 60.547 59.570 0.977 19052 4199 1 15 . 1 1 543 543 TYR CB C 543 38.923 38.923 35.993 2.930 19052 4200 1 15 . 1 1 543 543 TYR H H 543 8.027 8.027 8.479 -0.452 19052 4201 1 15 . 1 1 544 544 ALA N N 544 121.025 121.025 121.152 -0.127 19052 4202 1 15 . 1 1 544 544 ALA HA H 544 3.953 3.953 3.809 0.144 19052 4203 1 15 . 1 1 544 544 ALA C C 544 171.072 171.072 179.205 -8.133 19052 4204 1 15 . 1 1 544 544 ALA CA C 544 54.440 54.440 53.942 0.498 19052 4205 1 15 . 1 1 544 544 ALA CB C 544 19.028 19.028 17.671 1.357 19052 4206 1 15 . 1 1 544 544 ALA H H 544 8.079 8.079 7.215 0.864 19052 4207 1 15 . 1 1 545 545 GLU N N 545 116.132 116.132 119.421 -3.289 19052 4208 1 15 . 1 1 545 545 GLU HA H 545 4.096 4.096 4.040 0.056 19052 4209 1 15 . 1 1 545 545 GLU C C 545 172.525 172.525 178.234 -5.709 19052 4210 1 15 . 1 1 545 545 GLU CA C 545 57.355 57.355 57.450 -0.095 19052 4211 1 15 . 1 1 545 545 GLU CB C 545 29.517 29.517 29.874 -0.357 19052 4212 1 15 . 1 1 545 545 GLU H H 545 7.880 7.880 8.259 -0.379 19052 4213 1 15 . 1 1 546 546 GLY N N 546 107.283 107.283 109.908 -2.625 19052 4214 1 15 . 1 1 546 546 GLY C C 546 175.638 175.638 174.304 1.334 19052 4215 1 15 . 1 1 546 546 GLY CA C 546 46.241 46.241 45.827 0.414 19052 4216 1 15 . 1 1 546 546 GLY H H 546 8.028 8.028 8.202 -0.174 19052 4217 1 15 . 1 1 547 547 LEU N N 547 119.944 119.944 114.801 5.143 19052 4218 1 15 . 1 1 547 547 LEU HA H 547 4.127 4.127 4.660 -0.533 19052 4219 1 15 . 1 1 547 547 LEU C C 547 172.747 172.747 176.025 -3.278 19052 4220 1 15 . 1 1 547 547 LEU CA C 547 56.418 56.418 55.485 0.933 19052 4221 1 15 . 1 1 547 547 LEU CB C 547 42.717 42.717 42.639 0.078 19052 4222 1 15 . 1 1 547 547 LEU H H 547 7.865 7.865 8.105 -0.240 19052 4223 1 15 . 1 1 548 548 MET N N 548 115.796 115.796 112.740 3.056 19052 4224 1 15 . 1 1 548 548 MET HA H 548 4.231 4.231 4.660 -0.429 19052 4225 1 15 . 1 1 548 548 MET C C 548 173.854 173.854 175.536 -1.682 19052 4226 1 15 . 1 1 548 548 MET CA C 548 55.914 55.914 56.453 -0.539 19052 4227 1 15 . 1 1 548 548 MET CB C 548 32.474 32.474 33.541 -1.067 19052 4228 1 15 . 1 1 548 548 MET H H 548 7.958 7.958 8.624 -0.666 19052 4229 1 15 . 1 1 549 549 HIS N N 549 116.928 116.928 120.547 -3.619 19052 4230 1 15 . 1 1 549 549 HIS HA H 549 4.572 4.572 4.499 0.073 19052 4231 1 15 . 1 1 549 549 HIS C C 549 175.817 175.817 176.269 -0.452 19052 4232 1 15 . 1 1 549 549 HIS CA C 549 55.746 55.746 59.244 -3.498 19052 4233 1 15 . 1 1 549 549 HIS CB C 549 28.918 28.918 28.871 0.047 19052 4234 1 15 . 1 1 549 549 HIS H H 549 8.059 8.059 8.793 -0.734 19052 4235 1 15 . 1 1 550 550 ASN N N 550 118.413 118.413 115.823 2.590 19052 4236 1 15 . 1 1 550 550 ASN HA H 550 4.554 4.554 4.642 -0.088 19052 4237 1 15 . 1 1 550 550 ASN C C 550 174.738 174.738 175.680 -0.942 19052 4238 1 15 . 1 1 550 550 ASN CA C 550 53.874 53.874 52.704 1.170 19052 4239 1 15 . 1 1 550 550 ASN CB C 550 38.883 38.883 37.724 1.159 19052 4240 1 15 . 1 1 550 550 ASN H H 550 8.222 8.222 8.664 -0.442 19052 4241 1 15 . 1 1 551 551 GLN N N 551 119.844 119.844 119.855 -0.011 19052 4242 1 15 . 1 1 551 551 GLN HA H 551 4.217 4.217 4.133 0.084 19052 4243 1 15 . 1 1 551 551 GLN C C 551 173.745 173.745 175.921 -2.176 19052 4244 1 15 . 1 1 551 551 GLN CA C 551 56.477 56.477 56.824 -0.347 19052 4245 1 15 . 1 1 551 551 GLN CB C 551 29.046 29.046 29.151 -0.105 19052 4246 1 15 . 1 1 551 551 GLN H H 551 8.336 8.336 7.914 0.422 19052 4247 1 15 . 1 1 552 552 ASP N N 552 119.497 119.497 117.187 2.310 19052 4248 1 15 . 1 1 552 552 ASP HA H 552 4.434 4.434 4.651 -0.217 19052 4249 1 15 . 1 1 552 552 ASP C C 552 173.446 173.446 176.588 -3.142 19052 4250 1 15 . 1 1 552 552 ASP CA C 552 55.146 55.146 54.654 0.492 19052 4251 1 15 . 1 1 552 552 ASP CB C 552 41.174 41.174 43.070 -1.896 19052 4252 1 15 . 1 1 552 552 ASP H H 552 8.192 8.192 8.434 -0.242 19052 4253 1 15 . 1 1 553 553 GLY N N 553 107.920 107.920 107.647 0.273 19052 4254 1 15 . 1 1 553 553 GLY C C 553 175.627 175.627 175.337 0.290 19052 4255 1 15 . 1 1 553 553 GLY CA C 553 45.791 45.791 44.959 0.832 19052 4256 1 15 . 1 1 553 553 GLY H H 553 8.114 8.114 7.946 0.168 19052 4257 1 15 . 1 1 554 554 LEU N N 554 121.436 121.436 117.904 3.532 19052 4258 1 15 . 1 1 554 554 LEU HA H 554 4.150 4.150 4.099 0.051 19052 4259 1 15 . 1 1 554 554 LEU C C 554 172.742 172.742 177.299 -4.557 19052 4260 1 15 . 1 1 554 554 LEU CA C 554 56.520 56.520 56.445 0.075 19052 4261 1 15 . 1 1 554 554 LEU CB C 554 42.857 42.857 41.949 0.908 19052 4262 1 15 . 1 1 554 554 LEU H H 554 8.055 8.055 7.710 0.345 19052 4263 1 15 . 1 1 555 555 ILE N N 555 117.147 117.147 115.027 2.120 19052 4264 1 15 . 1 1 555 555 ILE HA H 555 3.947 3.947 3.875 0.072 19052 4265 1 15 . 1 1 555 555 ILE C C 555 174.354 174.354 176.698 -2.344 19052 4266 1 15 . 1 1 555 555 ILE CA C 555 62.214 62.214 61.288 0.926 19052 4267 1 15 . 1 1 555 555 ILE CB C 555 38.447 38.447 36.925 1.522 19052 4268 1 15 . 1 1 555 555 ILE H H 555 7.946 7.946 7.745 0.201 19052 4269 1 15 . 1 1 556 556 CYS N N 556 119.354 119.354 125.449 -6.095 19052 4270 1 15 . 1 1 556 556 CYS HA H 556 4.439 4.439 4.288 0.151 19052 4271 1 15 . 1 1 556 556 CYS C C 556 174.864 174.864 176.091 -1.227 19052 4272 1 15 . 1 1 556 556 CYS CA C 556 55.915 55.915 60.289 -4.374 19052 4273 1 15 . 1 1 556 556 CYS CB C 556 40.902 40.902 28.089 12.813 19052 4274 1 15 . 1 1 556 556 CYS H H 556 8.193 8.193 8.898 -0.705 19052 4275 1 15 . 1 1 557 557 GLY N N 557 108.370 108.370 107.045 1.325 19052 4276 1 15 . 1 1 557 557 GLY C C 557 176.365 176.365 173.872 2.493 19052 4277 1 15 . 1 1 557 557 GLY CA C 557 45.923 45.923 45.314 0.609 19052 4278 1 15 . 1 1 557 557 GLY H H 557 8.112 8.112 8.338 -0.226 19052 4279 1 15 . 1 1 558 558 LEU N N 558 120.302 120.302 116.689 3.613 19052 4280 1 15 . 1 1 558 558 LEU HA H 558 4.209 4.209 4.490 -0.281 19052 4281 1 15 . 1 1 558 558 LEU C C 558 173.387 173.387 175.059 -1.672 19052 4282 1 15 . 1 1 558 558 LEU CA C 558 55.568 55.568 54.930 0.638 19052 4283 1 15 . 1 1 558 558 LEU CB C 558 42.943 42.943 42.238 0.705 19052 4284 1 15 . 1 1 558 558 LEU H H 558 7.816 7.816 7.702 0.114 19052 4285 1 15 . 1 1 559 559 ARG N N 559 119.826 119.826 117.341 2.485 19052 4286 1 15 . 1 1 559 559 ARG HA H 559 4.246 4.246 4.018 0.228 19052 4287 1 15 . 1 1 559 559 ARG C C 559 175.047 175.047 175.056 -0.009 19052 4288 1 15 . 1 1 559 559 ARG CA C 559 55.858 55.858 57.203 -1.345 19052 4289 1 15 . 1 1 559 559 ARG CB C 559 30.806 30.806 28.698 2.108 19052 4290 1 15 . 1 1 559 559 ARG H H 559 7.996 7.996 8.178 -0.182 19052 4291 1 16 . 1 1 508 508 GLN N N 508 120.688 120.688 120.006 0.682 19052 4292 1 16 . 1 1 508 508 GLN HA H 508 4.590 4.590 4.570 0.020 19052 4293 1 16 . 1 1 508 508 GLN CA C 508 53.781 53.781 54.033 -0.252 19052 4294 1 16 . 1 1 508 508 GLN CB C 508 29.074 29.074 29.494 -0.420 19052 4295 1 16 . 1 1 508 508 GLN H H 508 8.558 8.558 8.121 0.437 19052 4296 1 16 . 1 1 509 509 PRO HA H 509 4.322 4.322 4.617 -0.295 19052 4297 1 16 . 1 1 509 509 PRO C C 509 173.716 173.716 175.504 -1.788 19052 4298 1 16 . 1 1 509 509 PRO CA C 509 63.284 63.284 62.994 0.290 19052 4299 1 16 . 1 1 509 509 PRO CB C 509 32.273 32.273 32.029 0.244 19052 4300 1 16 . 1 1 510 510 LYS N N 510 121.212 121.212 115.615 5.597 19052 4301 1 16 . 1 1 510 510 LYS HA H 510 4.205 4.205 3.995 0.210 19052 4302 1 16 . 1 1 510 510 LYS C C 510 173.988 173.988 175.517 -1.529 19052 4303 1 16 . 1 1 510 510 LYS CA C 510 56.301 56.301 57.209 -0.908 19052 4304 1 16 . 1 1 510 510 LYS CB C 510 33.419 33.419 30.431 2.988 19052 4305 1 16 . 1 1 510 510 LYS H H 510 8.322 8.322 8.046 0.276 19052 4306 1 16 . 1 1 511 511 CYS N N 511 119.342 119.342 118.456 0.886 19052 4307 1 16 . 1 1 511 511 CYS HA H 511 4.558 4.558 4.522 0.036 19052 4308 1 16 . 1 1 511 511 CYS C C 511 176.901 176.901 173.070 3.831 19052 4309 1 16 . 1 1 511 511 CYS CA C 511 55.516 55.516 57.296 -1.780 19052 4310 1 16 . 1 1 511 511 CYS CB C 511 41.836 41.836 26.259 15.578 19052 4311 1 16 . 1 1 511 511 CYS H H 511 8.269 8.269 8.201 0.068 19052 4312 1 16 . 1 1 512 512 ASN N N 512 122.311 122.311 118.165 4.146 19052 4313 1 16 . 1 1 512 512 ASN HA H 512 4.890 4.890 5.097 -0.207 19052 4314 1 16 . 1 1 512 512 ASN CA C 512 51.259 51.259 50.972 0.287 19052 4315 1 16 . 1 1 512 512 ASN CB C 512 39.388 39.388 39.498 -0.110 19052 4316 1 16 . 1 1 512 512 ASN H H 512 8.605 8.605 7.695 0.910 19052 4317 1 16 . 1 1 513 513 PRO HA H 513 4.295 4.295 4.451 -0.156 19052 4318 1 16 . 1 1 513 513 PRO C C 513 173.951 173.951 176.397 -2.446 19052 4319 1 16 . 1 1 513 513 PRO CA C 513 63.657 63.657 63.736 -0.079 19052 4320 1 16 . 1 1 513 513 PRO CB C 513 32.188 32.188 32.566 -0.378 19052 4321 1 16 . 1 1 514 514 ASN N N 514 117.512 117.512 115.012 2.500 19052 4322 1 16 . 1 1 514 514 ASN HA H 514 4.539 4.539 4.473 0.066 19052 4323 1 16 . 1 1 514 514 ASN C C 514 175.348 175.348 173.852 1.496 19052 4324 1 16 . 1 1 514 514 ASN CA C 514 53.557 53.557 52.965 0.592 19052 4325 1 16 . 1 1 514 514 ASN CB C 514 39.195 39.195 40.189 -0.994 19052 4326 1 16 . 1 1 514 514 ASN H H 514 8.288 8.288 7.978 0.310 19052 4327 1 16 . 1 1 515 515 LEU N N 515 121.066 121.066 116.753 4.313 19052 4328 1 16 . 1 1 515 515 LEU HA H 515 4.157 4.157 3.741 0.416 19052 4329 1 16 . 1 1 515 515 LEU C C 515 173.686 173.686 175.482 -1.796 19052 4330 1 16 . 1 1 515 515 LEU CA C 515 55.344 55.344 55.633 -0.289 19052 4331 1 16 . 1 1 515 515 LEU CB C 515 42.525 42.525 39.981 2.544 19052 4332 1 16 . 1 1 515 515 LEU H H 515 7.773 7.773 8.234 -0.461 19052 4333 1 16 . 1 1 516 516 HIS N N 516 117.512 117.512 114.964 2.548 19052 4334 1 16 . 1 1 516 516 HIS HA H 516 4.438 4.438 4.588 -0.150 19052 4335 1 16 . 1 1 516 516 HIS C C 516 175.736 175.736 175.888 -0.152 19052 4336 1 16 . 1 1 516 516 HIS CA C 516 55.806 55.806 55.841 -0.035 19052 4337 1 16 . 1 1 516 516 HIS CB C 516 28.903 28.903 30.357 -1.454 19052 4338 1 16 . 1 1 516 516 HIS H H 516 8.109 8.109 8.340 -0.231 19052 4339 1 16 . 1 1 517 517 TYR N N 517 120.068 120.068 115.966 4.102 19052 4340 1 16 . 1 1 517 517 TYR HA H 517 4.206 4.206 4.421 -0.215 19052 4341 1 16 . 1 1 517 517 TYR C C 517 174.847 174.847 175.734 -0.887 19052 4342 1 16 . 1 1 517 517 TYR CA C 517 59.252 59.252 57.008 2.244 19052 4343 1 16 . 1 1 517 517 TYR CB C 517 39.066 39.066 36.953 2.113 19052 4344 1 16 . 1 1 517 517 TYR H H 517 8.070 8.070 7.572 0.498 19052 4345 1 16 . 1 1 518 518 TRP N N 518 118.503 118.503 120.495 -1.992 19052 4346 1 16 . 1 1 518 518 TRP HA H 518 4.549 4.549 4.736 -0.187 19052 4347 1 16 . 1 1 518 518 TRP C C 518 174.443 174.443 175.961 -1.518 19052 4348 1 16 . 1 1 518 518 TRP CA C 518 57.822 57.822 57.185 0.637 19052 4349 1 16 . 1 1 518 518 TRP CB C 518 29.912 29.912 31.383 -1.471 19052 4350 1 16 . 1 1 518 518 TRP H H 518 7.641 7.641 7.314 0.327 19052 4351 1 16 . 1 1 519 519 THR N N 519 112.242 112.242 109.052 3.190 19052 4352 1 16 . 1 1 519 519 THR HA H 519 4.340 4.340 4.441 -0.101 19052 4353 1 16 . 1 1 519 519 THR C C 519 175.579 175.579 175.188 0.391 19052 4354 1 16 . 1 1 519 519 THR CA C 519 61.791 61.791 63.083 -1.292 19052 4355 1 16 . 1 1 519 519 THR CB C 519 70.049 70.049 69.371 0.678 19052 4356 1 16 . 1 1 519 519 THR H H 519 7.887 7.887 8.014 -0.127 19052 4357 1 16 . 1 1 520 520 THR N N 520 114.383 114.383 112.076 2.307 19052 4358 1 16 . 1 1 520 520 THR HA H 520 4.245 4.245 4.338 -0.093 19052 4359 1 16 . 1 1 520 520 THR C C 520 175.402 175.402 173.165 2.237 19052 4360 1 16 . 1 1 520 520 THR CA C 520 62.140 62.140 63.070 -0.930 19052 4361 1 16 . 1 1 520 520 THR CB C 520 69.994 69.994 68.711 1.283 19052 4362 1 16 . 1 1 520 520 THR H H 520 7.936 7.936 7.772 0.164 19052 4363 1 16 . 1 1 521 521 GLN N N 521 121.482 121.482 122.371 -0.889 19052 4364 1 16 . 1 1 521 521 GLN HA H 521 4.167 4.167 4.305 -0.138 19052 4365 1 16 . 1 1 521 521 GLN C C 521 174.280 174.280 175.426 -1.146 19052 4366 1 16 . 1 1 521 521 GLN CA C 521 56.569 56.569 56.778 -0.209 19052 4367 1 16 . 1 1 521 521 GLN CB C 521 29.357 29.357 29.750 -0.393 19052 4368 1 16 . 1 1 521 521 GLN H H 521 8.238 8.238 8.223 0.015 19052 4369 1 16 . 1 1 522 522 ASP N N 522 120.331 120.331 123.270 -2.939 19052 4370 1 16 . 1 1 522 522 ASP HA H 522 4.436 4.436 4.352 0.084 19052 4371 1 16 . 1 1 522 522 ASP C C 522 173.622 173.622 176.549 -2.927 19052 4372 1 16 . 1 1 522 522 ASP CA C 522 55.067 55.067 55.149 -0.082 19052 4373 1 16 . 1 1 522 522 ASP CB C 522 41.079 41.079 39.668 1.411 19052 4374 1 16 . 1 1 522 522 ASP H H 522 8.151 8.151 8.719 -0.568 19052 4375 1 16 . 1 1 523 523 GLU N N 523 120.580 120.580 123.281 -2.701 19052 4376 1 16 . 1 1 523 523 GLU HA H 523 4.086 4.086 3.841 0.245 19052 4377 1 16 . 1 1 523 523 GLU C C 523 173.037 173.037 176.215 -3.178 19052 4378 1 16 . 1 1 523 523 GLU CA C 523 57.580 57.580 55.211 2.369 19052 4379 1 16 . 1 1 523 523 GLU CB C 523 29.542 29.542 26.874 2.668 19052 4380 1 16 . 1 1 523 523 GLU H H 523 8.261 8.261 8.203 0.058 19052 4381 1 16 . 1 1 524 524 GLY N N 524 108.383 108.383 107.537 0.846 19052 4382 1 16 . 1 1 524 524 GLY C C 524 175.981 175.981 174.267 1.714 19052 4383 1 16 . 1 1 524 524 GLY CA C 524 45.936 45.936 45.071 0.865 19052 4384 1 16 . 1 1 524 524 GLY H H 524 8.287 8.287 8.210 0.077 19052 4385 1 16 . 1 1 525 525 ALA N N 525 122.951 122.951 123.676 -0.725 19052 4386 1 16 . 1 1 525 525 ALA HA H 525 4.150 4.150 4.273 -0.123 19052 4387 1 16 . 1 1 525 525 ALA C C 525 172.507 172.507 177.226 -4.719 19052 4388 1 16 . 1 1 525 525 ALA CA C 525 53.068 53.068 50.942 2.126 19052 4389 1 16 . 1 1 525 525 ALA CB C 525 19.406 19.406 16.783 2.623 19052 4390 1 16 . 1 1 525 525 ALA H H 525 7.846 7.846 7.848 -0.002 19052 4391 1 16 . 1 1 526 526 ALA N N 526 122.022 122.022 121.912 0.110 19052 4392 1 16 . 1 1 526 526 ALA HA H 526 4.181 4.181 3.866 0.315 19052 4393 1 16 . 1 1 526 526 ALA C C 526 172.070 172.070 176.380 -4.310 19052 4394 1 16 . 1 1 526 526 ALA CA C 526 53.158 53.158 53.046 0.112 19052 4395 1 16 . 1 1 526 526 ALA CB C 526 19.271 19.271 17.952 1.319 19052 4396 1 16 . 1 1 526 526 ALA H H 526 8.014 8.014 8.344 -0.330 19052 4397 1 16 . 1 1 527 527 ILE N N 527 118.520 118.520 119.280 -0.760 19052 4398 1 16 . 1 1 527 527 ILE HA H 527 3.887 3.887 4.003 -0.116 19052 4399 1 16 . 1 1 527 527 ILE C C 527 173.664 173.664 176.234 -2.570 19052 4400 1 16 . 1 1 527 527 ILE CA C 527 62.221 62.221 62.120 0.101 19052 4401 1 16 . 1 1 527 527 ILE CB C 527 38.735 38.735 38.199 0.536 19052 4402 1 16 . 1 1 527 527 ILE H H 527 7.907 7.907 7.900 0.007 19052 4403 1 16 . 1 1 528 528 GLY N N 528 109.901 109.901 109.283 0.618 19052 4404 1 16 . 1 1 528 528 GLY C C 528 175.853 175.853 174.876 0.977 19052 4405 1 16 . 1 1 528 528 GLY CA C 528 46.143 46.143 46.024 0.119 19052 4406 1 16 . 1 1 528 528 GLY H H 528 8.251 8.251 8.605 -0.354 19052 4407 1 16 . 1 1 529 529 ALA N N 529 122.244 122.244 121.365 0.879 19052 4408 1 16 . 1 1 529 529 ALA HA H 529 3.997 3.997 3.883 0.114 19052 4409 1 16 . 1 1 529 529 ALA C C 529 171.603 171.603 176.484 -4.881 19052 4410 1 16 . 1 1 529 529 ALA CA C 529 54.036 54.036 53.007 1.029 19052 4411 1 16 . 1 1 529 529 ALA CB C 529 19.173 19.173 17.731 1.442 19052 4412 1 16 . 1 1 529 529 ALA H H 529 7.968 7.968 7.633 0.335 19052 4413 1 16 . 1 1 530 530 ALA N N 530 119.150 119.150 118.128 1.022 19052 4414 1 16 . 1 1 530 530 ALA HA H 530 4.055 4.055 3.729 0.326 19052 4415 1 16 . 1 1 530 530 ALA C C 530 172.413 172.413 176.035 -3.622 19052 4416 1 16 . 1 1 530 530 ALA CA C 530 53.591 53.591 51.407 2.184 19052 4417 1 16 . 1 1 530 530 ALA CB C 530 19.102 19.102 18.702 0.400 19052 4418 1 16 . 1 1 530 530 ALA H H 530 8.161 8.161 7.501 0.660 19052 4419 1 16 . 1 1 531 531 TRP N N 531 115.703 115.703 115.707 -0.004 19052 4420 1 16 . 1 1 531 531 TRP HA H 531 4.525 4.525 4.263 0.262 19052 4421 1 16 . 1 1 531 531 TRP C C 531 173.708 173.708 175.024 -1.316 19052 4422 1 16 . 1 1 531 531 TRP CA C 531 57.449 57.449 56.989 0.460 19052 4423 1 16 . 1 1 531 531 TRP CB C 531 30.079 30.079 26.336 3.743 19052 4424 1 16 . 1 1 531 531 TRP H H 531 7.758 7.758 8.071 -0.313 19052 4425 1 16 . 1 1 532 532 ILE N N 532 120.648 120.648 118.293 2.355 19052 4426 1 16 . 1 1 532 532 ILE HA H 532 3.814 3.814 4.745 -0.931 19052 4427 1 16 . 1 1 532 532 ILE CA C 532 63.978 63.978 58.709 5.269 19052 4428 1 16 . 1 1 532 532 ILE CB C 532 37.291 37.291 38.494 -1.203 19052 4429 1 16 . 1 1 532 532 ILE H H 532 7.515 7.515 7.967 -0.452 19052 4430 1 16 . 1 1 533 533 PRO HA H 533 4.199 4.199 4.298 -0.099 19052 4431 1 16 . 1 1 533 533 PRO C C 533 173.380 173.380 177.466 -4.086 19052 4432 1 16 . 1 1 533 533 PRO CA C 533 64.877 64.877 64.709 0.168 19052 4433 1 16 . 1 1 533 533 PRO CB C 533 31.795 31.795 30.925 0.870 19052 4434 1 16 . 1 1 534 534 TYR N N 534 114.701 114.701 116.924 -2.223 19052 4435 1 16 . 1 1 534 534 TYR HA H 534 4.127 4.127 4.003 0.124 19052 4436 1 16 . 1 1 534 534 TYR C C 534 174.356 174.356 176.703 -2.347 19052 4437 1 16 . 1 1 534 534 TYR CA C 534 60.153 60.153 60.527 -0.374 19052 4438 1 16 . 1 1 534 534 TYR CB C 534 38.665 38.665 37.760 0.905 19052 4439 1 16 . 1 1 534 534 TYR H H 534 7.558 7.558 8.006 -0.448 19052 4440 1 16 . 1 1 535 535 PHE N N 535 116.978 116.978 114.032 2.946 19052 4441 1 16 . 1 1 535 535 PHE HA H 535 4.381 4.381 4.808 -0.427 19052 4442 1 16 . 1 1 535 535 PHE C C 535 174.160 174.160 176.692 -2.532 19052 4443 1 16 . 1 1 535 535 PHE CA C 535 59.095 59.095 56.310 2.785 19052 4444 1 16 . 1 1 535 535 PHE CB C 535 40.607 40.607 39.564 1.043 19052 4445 1 16 . 1 1 535 535 PHE H H 535 8.003 8.003 7.584 0.419 19052 4446 1 16 . 1 1 536 536 GLY N N 536 107.091 107.091 111.481 -4.390 19052 4447 1 16 . 1 1 536 536 GLY CA C 536 47.335 47.335 47.175 0.160 19052 4448 1 16 . 1 1 536 536 GLY H H 536 8.130 8.130 8.921 -0.791 19052 4449 1 16 . 1 1 537 537 PRO HA H 537 4.244 4.244 4.614 -0.370 19052 4450 1 16 . 1 1 537 537 PRO C C 537 171.319 171.319 175.650 -4.331 19052 4451 1 16 . 1 1 537 537 PRO CA C 537 65.023 65.023 63.543 1.480 19052 4452 1 16 . 1 1 537 537 PRO CB C 537 31.842 31.842 30.866 0.976 19052 4453 1 16 . 1 1 538 538 ALA N N 538 120.335 120.335 119.072 1.263 19052 4454 1 16 . 1 1 538 538 ALA HA H 538 4.104 4.104 4.747 -0.643 19052 4455 1 16 . 1 1 538 538 ALA C C 538 171.431 171.431 176.393 -4.962 19052 4456 1 16 . 1 1 538 538 ALA CA C 538 54.534 54.534 52.196 2.338 19052 4457 1 16 . 1 1 538 538 ALA CB C 538 18.866 18.866 20.894 -2.028 19052 4458 1 16 . 1 1 538 538 ALA H H 538 7.913 7.913 8.049 -0.136 19052 4459 1 16 . 1 1 539 539 ALA N N 539 120.016 120.016 119.645 0.371 19052 4460 1 16 . 1 1 539 539 ALA HA H 539 3.916 3.916 4.925 -1.009 19052 4461 1 16 . 1 1 539 539 ALA C C 539 171.593 171.593 176.764 -5.171 19052 4462 1 16 . 1 1 539 539 ALA CA C 539 54.669 54.669 52.344 2.325 19052 4463 1 16 . 1 1 539 539 ALA CB C 539 18.929 18.929 20.780 -1.851 19052 4464 1 16 . 1 1 539 539 ALA H H 539 8.105 8.105 7.553 0.552 19052 4465 1 16 . 1 1 540 540 GLU N N 540 116.288 116.288 120.111 -3.823 19052 4466 1 16 . 1 1 540 540 GLU HA H 540 3.922 3.922 4.342 -0.420 19052 4467 1 16 . 1 1 540 540 GLU C C 540 171.649 171.649 177.381 -5.732 19052 4468 1 16 . 1 1 540 540 GLU CA C 540 59.055 59.055 55.743 3.312 19052 4469 1 16 . 1 1 540 540 GLU CB C 540 29.335 29.335 27.732 1.603 19052 4470 1 16 . 1 1 540 540 GLU H H 540 8.081 8.081 8.652 -0.571 19052 4471 1 16 . 1 1 541 541 GLY N N 541 107.262 107.262 108.973 -1.711 19052 4472 1 16 . 1 1 541 541 GLY C C 541 174.868 174.868 174.872 -0.004 19052 4473 1 16 . 1 1 541 541 GLY CA C 541 46.506 46.506 45.624 0.882 19052 4474 1 16 . 1 1 541 541 GLY H H 541 8.063 8.063 9.128 -1.065 19052 4475 1 16 . 1 1 542 542 ILE N N 542 120.614 120.614 121.367 -0.753 19052 4476 1 16 . 1 1 542 542 ILE HA H 542 3.760 3.760 3.628 0.132 19052 4477 1 16 . 1 1 542 542 ILE C C 542 173.000 173.000 176.540 -3.540 19052 4478 1 16 . 1 1 542 542 ILE CA C 542 64.103 64.103 63.919 0.184 19052 4479 1 16 . 1 1 542 542 ILE CB C 542 38.394 38.394 37.893 0.501 19052 4480 1 16 . 1 1 542 542 ILE H H 542 7.843 7.843 8.110 -0.267 19052 4481 1 16 . 1 1 543 543 TYR N N 543 120.210 120.210 117.848 2.362 19052 4482 1 16 . 1 1 543 543 TYR HA H 543 4.178 4.178 4.241 -0.063 19052 4483 1 16 . 1 1 543 543 TYR C C 543 173.268 173.268 176.944 -3.676 19052 4484 1 16 . 1 1 543 543 TYR CA C 543 60.547 60.547 59.143 1.404 19052 4485 1 16 . 1 1 543 543 TYR CB C 543 38.923 38.923 35.596 3.326 19052 4486 1 16 . 1 1 543 543 TYR H H 543 8.027 8.027 8.433 -0.406 19052 4487 1 16 . 1 1 544 544 ALA N N 544 121.025 121.025 121.136 -0.111 19052 4488 1 16 . 1 1 544 544 ALA HA H 544 3.953 3.953 3.776 0.177 19052 4489 1 16 . 1 1 544 544 ALA C C 544 171.072 171.072 179.166 -8.094 19052 4490 1 16 . 1 1 544 544 ALA CA C 544 54.440 54.440 53.888 0.552 19052 4491 1 16 . 1 1 544 544 ALA CB C 544 19.028 19.028 17.662 1.366 19052 4492 1 16 . 1 1 544 544 ALA H H 544 8.079 8.079 7.192 0.887 19052 4493 1 16 . 1 1 545 545 GLU N N 545 116.132 116.132 118.798 -2.666 19052 4494 1 16 . 1 1 545 545 GLU HA H 545 4.096 4.096 4.037 0.059 19052 4495 1 16 . 1 1 545 545 GLU C C 545 172.525 172.525 178.191 -5.666 19052 4496 1 16 . 1 1 545 545 GLU CA C 545 57.355 57.355 57.281 0.074 19052 4497 1 16 . 1 1 545 545 GLU CB C 545 29.517 29.517 29.605 -0.088 19052 4498 1 16 . 1 1 545 545 GLU H H 545 7.880 7.880 8.252 -0.372 19052 4499 1 16 . 1 1 546 546 GLY N N 546 107.283 107.283 109.929 -2.646 19052 4500 1 16 . 1 1 546 546 GLY C C 546 175.638 175.638 174.335 1.303 19052 4501 1 16 . 1 1 546 546 GLY CA C 546 46.241 46.241 45.830 0.411 19052 4502 1 16 . 1 1 546 546 GLY H H 546 8.028 8.028 8.265 -0.237 19052 4503 1 16 . 1 1 547 547 LEU N N 547 119.944 119.944 115.193 4.751 19052 4504 1 16 . 1 1 547 547 LEU HA H 547 4.127 4.127 4.668 -0.541 19052 4505 1 16 . 1 1 547 547 LEU C C 547 172.747 172.747 176.061 -3.314 19052 4506 1 16 . 1 1 547 547 LEU CA C 547 56.418 56.418 55.506 0.912 19052 4507 1 16 . 1 1 547 547 LEU CB C 547 42.717 42.717 42.721 -0.004 19052 4508 1 16 . 1 1 547 547 LEU H H 547 7.865 7.865 8.124 -0.259 19052 4509 1 16 . 1 1 548 548 MET N N 548 115.796 115.796 113.756 2.040 19052 4510 1 16 . 1 1 548 548 MET HA H 548 4.231 4.231 4.691 -0.460 19052 4511 1 16 . 1 1 548 548 MET C C 548 173.854 173.854 175.945 -2.091 19052 4512 1 16 . 1 1 548 548 MET CA C 548 55.914 55.914 56.427 -0.513 19052 4513 1 16 . 1 1 548 548 MET CB C 548 32.474 32.474 33.468 -0.994 19052 4514 1 16 . 1 1 548 548 MET H H 548 7.958 7.958 8.712 -0.754 19052 4515 1 16 . 1 1 549 549 HIS N N 549 116.928 116.928 120.011 -3.083 19052 4516 1 16 . 1 1 549 549 HIS HA H 549 4.572 4.572 4.608 -0.036 19052 4517 1 16 . 1 1 549 549 HIS C C 549 175.817 175.817 176.529 -0.712 19052 4518 1 16 . 1 1 549 549 HIS CA C 549 55.746 55.746 58.782 -3.036 19052 4519 1 16 . 1 1 549 549 HIS CB C 549 28.918 28.918 28.858 0.060 19052 4520 1 16 . 1 1 549 549 HIS H H 549 8.059 8.059 8.658 -0.599 19052 4521 1 16 . 1 1 550 550 ASN N N 550 118.413 118.413 115.760 2.653 19052 4522 1 16 . 1 1 550 550 ASN HA H 550 4.554 4.554 4.680 -0.126 19052 4523 1 16 . 1 1 550 550 ASN C C 550 174.738 174.738 175.872 -1.134 19052 4524 1 16 . 1 1 550 550 ASN CA C 550 53.874 53.874 53.603 0.271 19052 4525 1 16 . 1 1 550 550 ASN CB C 550 38.883 38.883 39.005 -0.122 19052 4526 1 16 . 1 1 550 550 ASN H H 550 8.222 8.222 8.457 -0.235 19052 4527 1 16 . 1 1 551 551 GLN N N 551 119.844 119.844 118.048 1.796 19052 4528 1 16 . 1 1 551 551 GLN HA H 551 4.217 4.217 4.179 0.038 19052 4529 1 16 . 1 1 551 551 GLN C C 551 173.745 173.745 175.324 -1.579 19052 4530 1 16 . 1 1 551 551 GLN CA C 551 56.477 56.477 57.069 -0.592 19052 4531 1 16 . 1 1 551 551 GLN CB C 551 29.046 29.046 29.328 -0.282 19052 4532 1 16 . 1 1 551 551 GLN H H 551 8.336 8.336 7.861 0.475 19052 4533 1 16 . 1 1 552 552 ASP N N 552 119.497 119.497 117.440 2.057 19052 4534 1 16 . 1 1 552 552 ASP HA H 552 4.434 4.434 4.795 -0.361 19052 4535 1 16 . 1 1 552 552 ASP C C 552 173.446 173.446 176.126 -2.680 19052 4536 1 16 . 1 1 552 552 ASP CA C 552 55.146 55.146 54.307 0.839 19052 4537 1 16 . 1 1 552 552 ASP CB C 552 41.174 41.174 43.187 -2.013 19052 4538 1 16 . 1 1 552 552 ASP H H 552 8.192 8.192 8.433 -0.241 19052 4539 1 16 . 1 1 553 553 GLY N N 553 107.920 107.920 107.005 0.915 19052 4540 1 16 . 1 1 553 553 GLY C C 553 175.627 175.627 174.689 0.938 19052 4541 1 16 . 1 1 553 553 GLY CA C 553 45.791 45.791 45.044 0.747 19052 4542 1 16 . 1 1 553 553 GLY H H 553 8.114 8.114 7.721 0.393 19052 4543 1 16 . 1 1 554 554 LEU N N 554 121.436 121.436 117.419 4.017 19052 4544 1 16 . 1 1 554 554 LEU HA H 554 4.150 4.150 4.083 0.067 19052 4545 1 16 . 1 1 554 554 LEU C C 554 172.742 172.742 177.333 -4.591 19052 4546 1 16 . 1 1 554 554 LEU CA C 554 56.520 56.520 56.639 -0.118 19052 4547 1 16 . 1 1 554 554 LEU CB C 554 42.857 42.857 41.517 1.340 19052 4548 1 16 . 1 1 554 554 LEU H H 554 8.055 8.055 7.741 0.314 19052 4549 1 16 . 1 1 555 555 ILE N N 555 117.147 117.147 114.748 2.399 19052 4550 1 16 . 1 1 555 555 ILE HA H 555 3.947 3.947 3.896 0.051 19052 4551 1 16 . 1 1 555 555 ILE C C 555 174.354 174.354 176.448 -2.094 19052 4552 1 16 . 1 1 555 555 ILE CA C 555 62.214 62.214 61.309 0.905 19052 4553 1 16 . 1 1 555 555 ILE CB C 555 38.447 38.447 35.344 3.103 19052 4554 1 16 . 1 1 555 555 ILE H H 555 7.946 7.946 7.812 0.134 19052 4555 1 16 . 1 1 556 556 CYS N N 556 119.354 119.354 125.649 -6.295 19052 4556 1 16 . 1 1 556 556 CYS HA H 556 4.439 4.439 4.295 0.144 19052 4557 1 16 . 1 1 556 556 CYS C C 556 174.864 174.864 176.553 -1.689 19052 4558 1 16 . 1 1 556 556 CYS CA C 556 55.915 55.915 60.825 -4.910 19052 4559 1 16 . 1 1 556 556 CYS CB C 556 40.902 40.902 27.436 13.466 19052 4560 1 16 . 1 1 556 556 CYS H H 556 8.193 8.193 8.705 -0.512 19052 4561 1 16 . 1 1 557 557 GLY N N 557 108.370 108.370 107.876 0.494 19052 4562 1 16 . 1 1 557 557 GLY C C 557 176.365 176.365 175.019 1.346 19052 4563 1 16 . 1 1 557 557 GLY CA C 557 45.923 45.923 46.116 -0.193 19052 4564 1 16 . 1 1 557 557 GLY H H 557 8.112 8.112 8.436 -0.324 19052 4565 1 16 . 1 1 558 558 LEU N N 558 120.302 120.302 113.888 6.414 19052 4566 1 16 . 1 1 558 558 LEU HA H 558 4.209 4.209 4.478 -0.269 19052 4567 1 16 . 1 1 558 558 LEU C C 558 173.387 173.387 174.660 -1.273 19052 4568 1 16 . 1 1 558 558 LEU CA C 558 55.568 55.568 54.773 0.795 19052 4569 1 16 . 1 1 558 558 LEU CB C 558 42.943 42.943 42.970 -0.027 19052 4570 1 16 . 1 1 558 558 LEU H H 558 7.816 7.816 7.475 0.341 19052 4571 1 16 . 1 1 559 559 ARG N N 559 119.826 119.826 117.677 2.149 19052 4572 1 16 . 1 1 559 559 ARG HA H 559 4.246 4.246 4.095 0.151 19052 4573 1 16 . 1 1 559 559 ARG C C 559 175.047 175.047 175.042 0.005 19052 4574 1 16 . 1 1 559 559 ARG CA C 559 55.858 55.858 56.885 -1.027 19052 4575 1 16 . 1 1 559 559 ARG CB C 559 30.806 30.806 29.248 1.558 19052 4576 1 16 . 1 1 559 559 ARG H H 559 7.996 7.996 8.306 -0.309 19052 4577 1 17 . 1 1 508 508 GLN N N 508 120.688 120.688 119.741 0.947 19052 4578 1 17 . 1 1 508 508 GLN HA H 508 4.590 4.590 4.733 -0.143 19052 4579 1 17 . 1 1 508 508 GLN CA C 508 53.781 53.781 53.660 0.121 19052 4580 1 17 . 1 1 508 508 GLN CB C 508 29.074 29.074 29.760 -0.686 19052 4581 1 17 . 1 1 508 508 GLN H H 508 8.558 8.558 8.031 0.527 19052 4582 1 17 . 1 1 509 509 PRO HA H 509 4.322 4.322 4.559 -0.236 19052 4583 1 17 . 1 1 509 509 PRO C C 509 173.716 173.716 175.738 -2.022 19052 4584 1 17 . 1 1 509 509 PRO CA C 509 63.284 63.284 62.715 0.569 19052 4585 1 17 . 1 1 509 509 PRO CB C 509 32.273 32.273 32.044 0.229 19052 4586 1 17 . 1 1 510 510 LYS N N 510 121.212 121.212 117.637 3.575 19052 4587 1 17 . 1 1 510 510 LYS HA H 510 4.205 4.205 4.015 0.190 19052 4588 1 17 . 1 1 510 510 LYS C C 510 173.988 173.988 175.274 -1.286 19052 4589 1 17 . 1 1 510 510 LYS CA C 510 56.301 56.301 57.061 -0.760 19052 4590 1 17 . 1 1 510 510 LYS CB C 510 33.419 33.419 31.038 2.381 19052 4591 1 17 . 1 1 510 510 LYS H H 510 8.322 8.322 8.141 0.181 19052 4592 1 17 . 1 1 511 511 CYS N N 511 119.342 119.342 114.404 4.938 19052 4593 1 17 . 1 1 511 511 CYS HA H 511 4.558 4.558 4.562 -0.004 19052 4594 1 17 . 1 1 511 511 CYS C C 511 176.901 176.901 174.733 2.168 19052 4595 1 17 . 1 1 511 511 CYS CA C 511 55.516 55.516 57.151 -1.635 19052 4596 1 17 . 1 1 511 511 CYS CB C 511 41.836 41.836 26.849 14.988 19052 4597 1 17 . 1 1 511 511 CYS H H 511 8.269 8.269 8.359 -0.090 19052 4598 1 17 . 1 1 512 512 ASN N N 512 122.311 122.311 119.345 2.966 19052 4599 1 17 . 1 1 512 512 ASN HA H 512 4.890 4.890 4.943 -0.053 19052 4600 1 17 . 1 1 512 512 ASN CA C 512 51.259 51.259 51.810 -0.551 19052 4601 1 17 . 1 1 512 512 ASN CB C 512 39.388 39.388 38.301 1.087 19052 4602 1 17 . 1 1 512 512 ASN H H 512 8.605 8.605 7.927 0.678 19052 4603 1 17 . 1 1 513 513 PRO HA H 513 4.295 4.295 4.308 -0.013 19052 4604 1 17 . 1 1 513 513 PRO C C 513 173.951 173.951 176.397 -2.446 19052 4605 1 17 . 1 1 513 513 PRO CA C 513 63.657 63.657 64.525 -0.868 19052 4606 1 17 . 1 1 513 513 PRO CB C 513 32.188 32.188 32.376 -0.188 19052 4607 1 17 . 1 1 514 514 ASN N N 514 117.512 117.512 114.225 3.287 19052 4608 1 17 . 1 1 514 514 ASN HA H 514 4.539 4.539 4.410 0.129 19052 4609 1 17 . 1 1 514 514 ASN C C 514 175.348 175.348 173.746 1.602 19052 4610 1 17 . 1 1 514 514 ASN CA C 514 53.557 53.557 52.820 0.737 19052 4611 1 17 . 1 1 514 514 ASN CB C 514 39.195 39.195 39.931 -0.736 19052 4612 1 17 . 1 1 514 514 ASN H H 514 8.288 8.288 8.012 0.276 19052 4613 1 17 . 1 1 515 515 LEU N N 515 121.066 121.066 114.913 6.153 19052 4614 1 17 . 1 1 515 515 LEU HA H 515 4.157 4.157 4.001 0.156 19052 4615 1 17 . 1 1 515 515 LEU C C 515 173.686 173.686 175.787 -2.101 19052 4616 1 17 . 1 1 515 515 LEU CA C 515 55.344 55.344 55.821 -0.477 19052 4617 1 17 . 1 1 515 515 LEU CB C 515 42.525 42.525 39.358 3.167 19052 4618 1 17 . 1 1 515 515 LEU H H 515 7.773 7.773 8.086 -0.313 19052 4619 1 17 . 1 1 516 516 HIS N N 516 117.512 117.512 115.546 1.966 19052 4620 1 17 . 1 1 516 516 HIS HA H 516 4.438 4.438 4.662 -0.224 19052 4621 1 17 . 1 1 516 516 HIS C C 516 175.736 175.736 176.248 -0.512 19052 4622 1 17 . 1 1 516 516 HIS CA C 516 55.806 55.806 56.405 -0.599 19052 4623 1 17 . 1 1 516 516 HIS CB C 516 28.903 28.903 30.616 -1.713 19052 4624 1 17 . 1 1 516 516 HIS H H 516 8.109 8.109 8.445 -0.336 19052 4625 1 17 . 1 1 517 517 TYR N N 517 120.068 120.068 117.775 2.293 19052 4626 1 17 . 1 1 517 517 TYR HA H 517 4.206 4.206 4.437 -0.231 19052 4627 1 17 . 1 1 517 517 TYR C C 517 174.847 174.847 175.257 -0.410 19052 4628 1 17 . 1 1 517 517 TYR CA C 517 59.252 59.252 56.597 2.655 19052 4629 1 17 . 1 1 517 517 TYR CB C 517 39.066 39.066 37.986 1.079 19052 4630 1 17 . 1 1 517 517 TYR H H 517 8.070 8.070 7.494 0.576 19052 4631 1 17 . 1 1 518 518 TRP N N 518 118.503 118.503 122.770 -4.267 19052 4632 1 17 . 1 1 518 518 TRP HA H 518 4.549 4.549 4.694 -0.145 19052 4633 1 17 . 1 1 518 518 TRP C C 518 174.443 174.443 176.290 -1.847 19052 4634 1 17 . 1 1 518 518 TRP CA C 518 57.822 57.822 56.110 1.712 19052 4635 1 17 . 1 1 518 518 TRP CB C 518 29.912 29.912 31.294 -1.382 19052 4636 1 17 . 1 1 518 518 TRP H H 518 7.641 7.641 7.187 0.454 19052 4637 1 17 . 1 1 519 519 THR N N 519 112.242 112.242 119.909 -7.667 19052 4638 1 17 . 1 1 519 519 THR HA H 519 4.340 4.340 3.811 0.529 19052 4639 1 17 . 1 1 519 519 THR C C 519 175.579 175.579 174.643 0.936 19052 4640 1 17 . 1 1 519 519 THR CA C 519 61.791 61.791 65.235 -3.444 19052 4641 1 17 . 1 1 519 519 THR CB C 519 70.049 70.049 68.809 1.240 19052 4642 1 17 . 1 1 519 519 THR H H 519 7.887 7.887 8.380 -0.493 19052 4643 1 17 . 1 1 520 520 THR N N 520 114.383 114.383 109.395 4.988 19052 4644 1 17 . 1 1 520 520 THR HA H 520 4.245 4.245 4.319 -0.074 19052 4645 1 17 . 1 1 520 520 THR C C 520 175.402 175.402 172.531 2.871 19052 4646 1 17 . 1 1 520 520 THR CA C 520 62.140 62.140 62.906 -0.765 19052 4647 1 17 . 1 1 520 520 THR CB C 520 69.994 69.994 68.983 1.011 19052 4648 1 17 . 1 1 520 520 THR H H 520 7.936 7.936 7.527 0.409 19052 4649 1 17 . 1 1 521 521 GLN N N 521 121.482 121.482 122.116 -0.634 19052 4650 1 17 . 1 1 521 521 GLN HA H 521 4.167 4.167 4.173 -0.006 19052 4651 1 17 . 1 1 521 521 GLN C C 521 174.280 174.280 175.281 -1.001 19052 4652 1 17 . 1 1 521 521 GLN CA C 521 56.569 56.569 56.412 0.157 19052 4653 1 17 . 1 1 521 521 GLN CB C 521 29.357 29.357 29.246 0.111 19052 4654 1 17 . 1 1 521 521 GLN H H 521 8.238 8.238 7.981 0.257 19052 4655 1 17 . 1 1 522 522 ASP N N 522 120.331 120.331 121.671 -1.340 19052 4656 1 17 . 1 1 522 522 ASP HA H 522 4.436 4.436 4.351 0.085 19052 4657 1 17 . 1 1 522 522 ASP C C 522 173.622 173.622 176.472 -2.850 19052 4658 1 17 . 1 1 522 522 ASP CA C 522 55.067 55.067 55.406 -0.339 19052 4659 1 17 . 1 1 522 522 ASP CB C 522 41.079 41.079 39.631 1.448 19052 4660 1 17 . 1 1 522 522 ASP H H 522 8.151 8.151 8.718 -0.567 19052 4661 1 17 . 1 1 523 523 GLU N N 523 120.580 120.580 123.842 -3.262 19052 4662 1 17 . 1 1 523 523 GLU HA H 523 4.086 4.086 4.058 0.028 19052 4663 1 17 . 1 1 523 523 GLU C C 523 173.037 173.037 176.294 -3.257 19052 4664 1 17 . 1 1 523 523 GLU CA C 523 57.580 57.580 55.100 2.480 19052 4665 1 17 . 1 1 523 523 GLU CB C 523 29.542 29.542 27.096 2.446 19052 4666 1 17 . 1 1 523 523 GLU H H 523 8.261 8.261 8.076 0.185 19052 4667 1 17 . 1 1 524 524 GLY N N 524 108.383 108.383 108.459 -0.076 19052 4668 1 17 . 1 1 524 524 GLY C C 524 175.981 175.981 174.420 1.561 19052 4669 1 17 . 1 1 524 524 GLY CA C 524 45.936 45.936 45.042 0.894 19052 4670 1 17 . 1 1 524 524 GLY H H 524 8.287 8.287 7.825 0.462 19052 4671 1 17 . 1 1 525 525 ALA N N 525 122.951 122.951 123.811 -0.860 19052 4672 1 17 . 1 1 525 525 ALA HA H 525 4.150 4.150 4.224 -0.074 19052 4673 1 17 . 1 1 525 525 ALA C C 525 172.507 172.507 177.627 -5.120 19052 4674 1 17 . 1 1 525 525 ALA CA C 525 53.068 53.068 51.352 1.716 19052 4675 1 17 . 1 1 525 525 ALA CB C 525 19.406 19.406 16.840 2.566 19052 4676 1 17 . 1 1 525 525 ALA H H 525 7.846 7.846 7.989 -0.143 19052 4677 1 17 . 1 1 526 526 ALA N N 526 122.022 122.022 121.812 0.210 19052 4678 1 17 . 1 1 526 526 ALA HA H 526 4.181 4.181 3.976 0.205 19052 4679 1 17 . 1 1 526 526 ALA C C 526 172.070 172.070 176.404 -4.334 19052 4680 1 17 . 1 1 526 526 ALA CA C 526 53.158 53.158 53.053 0.105 19052 4681 1 17 . 1 1 526 526 ALA CB C 526 19.271 19.271 17.929 1.342 19052 4682 1 17 . 1 1 526 526 ALA H H 526 8.014 8.014 8.448 -0.434 19052 4683 1 17 . 1 1 527 527 ILE N N 527 118.520 118.520 119.575 -1.055 19052 4684 1 17 . 1 1 527 527 ILE HA H 527 3.887 3.887 4.117 -0.230 19052 4685 1 17 . 1 1 527 527 ILE C C 527 173.664 173.664 176.687 -3.023 19052 4686 1 17 . 1 1 527 527 ILE CA C 527 62.221 62.221 61.887 0.334 19052 4687 1 17 . 1 1 527 527 ILE CB C 527 38.735 38.735 37.916 0.820 19052 4688 1 17 . 1 1 527 527 ILE H H 527 7.907 7.907 8.085 -0.178 19052 4689 1 17 . 1 1 528 528 GLY N N 528 109.901 109.901 108.772 1.129 19052 4690 1 17 . 1 1 528 528 GLY C C 528 175.853 175.853 174.667 1.186 19052 4691 1 17 . 1 1 528 528 GLY CA C 528 46.143 46.143 46.139 0.004 19052 4692 1 17 . 1 1 528 528 GLY H H 528 8.251 8.251 8.382 -0.131 19052 4693 1 17 . 1 1 529 529 ALA N N 529 122.244 122.244 121.619 0.625 19052 4694 1 17 . 1 1 529 529 ALA HA H 529 3.997 3.997 3.879 0.118 19052 4695 1 17 . 1 1 529 529 ALA C C 529 171.603 171.603 176.554 -4.951 19052 4696 1 17 . 1 1 529 529 ALA CA C 529 54.036 54.036 52.985 1.051 19052 4697 1 17 . 1 1 529 529 ALA CB C 529 19.173 19.173 17.728 1.445 19052 4698 1 17 . 1 1 529 529 ALA H H 529 7.968 7.968 7.836 0.132 19052 4699 1 17 . 1 1 530 530 ALA N N 530 119.150 119.150 118.574 0.576 19052 4700 1 17 . 1 1 530 530 ALA HA H 530 4.055 4.055 3.711 0.344 19052 4701 1 17 . 1 1 530 530 ALA C C 530 172.413 172.413 175.471 -3.058 19052 4702 1 17 . 1 1 530 530 ALA CA C 530 53.591 53.591 51.605 1.986 19052 4703 1 17 . 1 1 530 530 ALA CB C 530 19.102 19.102 18.368 0.734 19052 4704 1 17 . 1 1 530 530 ALA H H 530 8.161 8.161 7.353 0.808 19052 4705 1 17 . 1 1 531 531 TRP N N 531 115.703 115.703 115.084 0.619 19052 4706 1 17 . 1 1 531 531 TRP HA H 531 4.525 4.525 4.385 0.140 19052 4707 1 17 . 1 1 531 531 TRP C C 531 173.708 173.708 175.165 -1.457 19052 4708 1 17 . 1 1 531 531 TRP CA C 531 57.449 57.449 56.171 1.278 19052 4709 1 17 . 1 1 531 531 TRP CB C 531 30.079 30.079 26.562 3.517 19052 4710 1 17 . 1 1 531 531 TRP H H 531 7.758 7.758 7.979 -0.221 19052 4711 1 17 . 1 1 532 532 ILE N N 532 120.648 120.648 118.225 2.423 19052 4712 1 17 . 1 1 532 532 ILE HA H 532 3.814 3.814 4.466 -0.652 19052 4713 1 17 . 1 1 532 532 ILE CA C 532 63.978 63.978 58.524 5.454 19052 4714 1 17 . 1 1 532 532 ILE CB C 532 37.291 37.291 38.324 -1.033 19052 4715 1 17 . 1 1 532 532 ILE H H 532 7.515 7.515 7.938 -0.423 19052 4716 1 17 . 1 1 533 533 PRO HA H 533 4.199 4.199 4.238 -0.039 19052 4717 1 17 . 1 1 533 533 PRO C C 533 173.380 173.380 176.867 -3.487 19052 4718 1 17 . 1 1 533 533 PRO CA C 533 64.877 64.877 65.265 -0.388 19052 4719 1 17 . 1 1 533 533 PRO CB C 533 31.795 31.795 31.188 0.607 19052 4720 1 17 . 1 1 534 534 TYR N N 534 114.701 114.701 115.280 -0.579 19052 4721 1 17 . 1 1 534 534 TYR HA H 534 4.127 4.127 4.386 -0.259 19052 4722 1 17 . 1 1 534 534 TYR C C 534 174.356 174.356 176.505 -2.149 19052 4723 1 17 . 1 1 534 534 TYR CA C 534 60.153 60.153 59.847 0.306 19052 4724 1 17 . 1 1 534 534 TYR CB C 534 38.665 38.665 37.541 1.124 19052 4725 1 17 . 1 1 534 534 TYR H H 534 7.558 7.558 7.865 -0.307 19052 4726 1 17 . 1 1 535 535 PHE N N 535 116.978 116.978 116.310 0.668 19052 4727 1 17 . 1 1 535 535 PHE HA H 535 4.381 4.381 4.628 -0.247 19052 4728 1 17 . 1 1 535 535 PHE C C 535 174.160 174.160 176.114 -1.954 19052 4729 1 17 . 1 1 535 535 PHE CA C 535 59.095 59.095 56.527 2.568 19052 4730 1 17 . 1 1 535 535 PHE CB C 535 40.607 40.607 40.335 0.272 19052 4731 1 17 . 1 1 535 535 PHE H H 535 8.003 8.003 6.760 1.243 19052 4732 1 17 . 1 1 536 536 GLY N N 536 107.091 107.091 110.701 -3.610 19052 4733 1 17 . 1 1 536 536 GLY CA C 536 47.335 47.335 47.035 0.300 19052 4734 1 17 . 1 1 536 536 GLY H H 536 8.130 8.130 8.415 -0.285 19052 4735 1 17 . 1 1 537 537 PRO HA H 537 4.244 4.244 4.414 -0.170 19052 4736 1 17 . 1 1 537 537 PRO C C 537 171.319 171.319 175.981 -4.662 19052 4737 1 17 . 1 1 537 537 PRO CA C 537 65.023 65.023 63.398 1.625 19052 4738 1 17 . 1 1 537 537 PRO CB C 537 31.842 31.842 30.642 1.200 19052 4739 1 17 . 1 1 538 538 ALA N N 538 120.335 120.335 120.124 0.211 19052 4740 1 17 . 1 1 538 538 ALA HA H 538 4.104 4.104 4.548 -0.444 19052 4741 1 17 . 1 1 538 538 ALA C C 538 171.431 171.431 175.980 -4.549 19052 4742 1 17 . 1 1 538 538 ALA CA C 538 54.534 54.534 51.989 2.545 19052 4743 1 17 . 1 1 538 538 ALA CB C 538 18.866 18.866 20.633 -1.767 19052 4744 1 17 . 1 1 538 538 ALA H H 538 7.913 7.913 8.014 -0.101 19052 4745 1 17 . 1 1 539 539 ALA N N 539 120.016 120.016 119.010 1.006 19052 4746 1 17 . 1 1 539 539 ALA HA H 539 3.916 3.916 4.613 -0.697 19052 4747 1 17 . 1 1 539 539 ALA C C 539 171.593 171.593 176.954 -5.361 19052 4748 1 17 . 1 1 539 539 ALA CA C 539 54.669 54.669 52.549 2.120 19052 4749 1 17 . 1 1 539 539 ALA CB C 539 18.929 18.929 19.935 -1.006 19052 4750 1 17 . 1 1 539 539 ALA H H 539 8.105 8.105 7.388 0.717 19052 4751 1 17 . 1 1 540 540 GLU N N 540 116.288 116.288 120.212 -3.924 19052 4752 1 17 . 1 1 540 540 GLU HA H 540 3.922 3.922 4.291 -0.369 19052 4753 1 17 . 1 1 540 540 GLU C C 540 171.649 171.649 177.409 -5.760 19052 4754 1 17 . 1 1 540 540 GLU CA C 540 59.055 59.055 55.405 3.650 19052 4755 1 17 . 1 1 540 540 GLU CB C 540 29.335 29.335 27.382 1.953 19052 4756 1 17 . 1 1 540 540 GLU H H 540 8.081 8.081 8.529 -0.448 19052 4757 1 17 . 1 1 541 541 GLY N N 541 107.262 107.262 108.840 -1.578 19052 4758 1 17 . 1 1 541 541 GLY C C 541 174.868 174.868 175.178 -0.310 19052 4759 1 17 . 1 1 541 541 GLY CA C 541 46.506 46.506 45.770 0.736 19052 4760 1 17 . 1 1 541 541 GLY H H 541 8.063 8.063 9.090 -1.027 19052 4761 1 17 . 1 1 542 542 ILE N N 542 120.614 120.614 121.938 -1.324 19052 4762 1 17 . 1 1 542 542 ILE HA H 542 3.760 3.760 3.501 0.259 19052 4763 1 17 . 1 1 542 542 ILE C C 542 173.000 173.000 176.227 -3.227 19052 4764 1 17 . 1 1 542 542 ILE CA C 542 64.103 64.103 64.205 -0.102 19052 4765 1 17 . 1 1 542 542 ILE CB C 542 38.394 38.394 37.691 0.702 19052 4766 1 17 . 1 1 542 542 ILE H H 542 7.843 7.843 8.030 -0.187 19052 4767 1 17 . 1 1 543 543 TYR N N 543 120.210 120.210 117.383 2.827 19052 4768 1 17 . 1 1 543 543 TYR HA H 543 4.178 4.178 4.028 0.150 19052 4769 1 17 . 1 1 543 543 TYR C C 543 173.268 173.268 176.774 -3.506 19052 4770 1 17 . 1 1 543 543 TYR CA C 543 60.547 60.547 59.385 1.162 19052 4771 1 17 . 1 1 543 543 TYR CB C 543 38.923 38.923 35.884 3.039 19052 4772 1 17 . 1 1 543 543 TYR H H 543 8.027 8.027 8.452 -0.425 19052 4773 1 17 . 1 1 544 544 ALA N N 544 121.025 121.025 121.055 -0.030 19052 4774 1 17 . 1 1 544 544 ALA HA H 544 3.953 3.953 3.642 0.311 19052 4775 1 17 . 1 1 544 544 ALA C C 544 171.072 171.072 179.138 -8.066 19052 4776 1 17 . 1 1 544 544 ALA CA C 544 54.440 54.440 53.767 0.672 19052 4777 1 17 . 1 1 544 544 ALA CB C 544 19.028 19.028 17.651 1.377 19052 4778 1 17 . 1 1 544 544 ALA H H 544 8.079 8.079 6.925 1.154 19052 4779 1 17 . 1 1 545 545 GLU N N 545 116.132 116.132 119.422 -3.290 19052 4780 1 17 . 1 1 545 545 GLU HA H 545 4.096 4.096 4.017 0.079 19052 4781 1 17 . 1 1 545 545 GLU C C 545 172.525 172.525 178.202 -5.677 19052 4782 1 17 . 1 1 545 545 GLU CA C 545 57.355 57.355 57.421 -0.066 19052 4783 1 17 . 1 1 545 545 GLU CB C 545 29.517 29.517 29.843 -0.326 19052 4784 1 17 . 1 1 545 545 GLU H H 545 7.880 7.880 8.256 -0.376 19052 4785 1 17 . 1 1 546 546 GLY N N 546 107.283 107.283 109.665 -2.382 19052 4786 1 17 . 1 1 546 546 GLY C C 546 175.638 175.638 174.250 1.388 19052 4787 1 17 . 1 1 546 546 GLY CA C 546 46.241 46.241 45.942 0.299 19052 4788 1 17 . 1 1 546 546 GLY H H 546 8.028 8.028 8.100 -0.072 19052 4789 1 17 . 1 1 547 547 LEU N N 547 119.944 119.944 113.871 6.073 19052 4790 1 17 . 1 1 547 547 LEU HA H 547 4.127 4.127 4.671 -0.544 19052 4791 1 17 . 1 1 547 547 LEU C C 547 172.747 172.747 176.053 -3.306 19052 4792 1 17 . 1 1 547 547 LEU CA C 547 56.418 56.418 55.508 0.910 19052 4793 1 17 . 1 1 547 547 LEU CB C 547 42.717 42.717 43.337 -0.620 19052 4794 1 17 . 1 1 547 547 LEU H H 547 7.865 7.865 8.306 -0.441 19052 4795 1 17 . 1 1 548 548 MET N N 548 115.796 115.796 115.406 0.390 19052 4796 1 17 . 1 1 548 548 MET HA H 548 4.231 4.231 4.459 -0.228 19052 4797 1 17 . 1 1 548 548 MET C C 548 173.854 173.854 176.944 -3.090 19052 4798 1 17 . 1 1 548 548 MET CA C 548 55.914 55.914 56.706 -0.792 19052 4799 1 17 . 1 1 548 548 MET CB C 548 32.474 32.474 33.552 -1.078 19052 4800 1 17 . 1 1 548 548 MET H H 548 7.958 7.958 8.557 -0.599 19052 4801 1 17 . 1 1 549 549 HIS N N 549 116.928 116.928 118.910 -1.982 19052 4802 1 17 . 1 1 549 549 HIS HA H 549 4.572 4.572 4.442 0.130 19052 4803 1 17 . 1 1 549 549 HIS C C 549 175.817 175.817 176.364 -0.547 19052 4804 1 17 . 1 1 549 549 HIS CA C 549 55.746 55.746 58.392 -2.647 19052 4805 1 17 . 1 1 549 549 HIS CB C 549 28.918 28.918 29.262 -0.344 19052 4806 1 17 . 1 1 549 549 HIS H H 549 8.059 8.059 8.343 -0.284 19052 4807 1 17 . 1 1 550 550 ASN N N 550 118.413 118.413 115.835 2.578 19052 4808 1 17 . 1 1 550 550 ASN HA H 550 4.554 4.554 4.534 0.020 19052 4809 1 17 . 1 1 550 550 ASN C C 550 174.738 174.738 175.574 -0.836 19052 4810 1 17 . 1 1 550 550 ASN CA C 550 53.874 53.874 53.320 0.554 19052 4811 1 17 . 1 1 550 550 ASN CB C 550 38.883 38.883 38.162 0.721 19052 4812 1 17 . 1 1 550 550 ASN H H 550 8.222 8.222 8.570 -0.348 19052 4813 1 17 . 1 1 551 551 GLN N N 551 119.844 119.844 120.310 -0.466 19052 4814 1 17 . 1 1 551 551 GLN HA H 551 4.217 4.217 4.121 0.096 19052 4815 1 17 . 1 1 551 551 GLN C C 551 173.745 173.745 175.511 -1.766 19052 4816 1 17 . 1 1 551 551 GLN CA C 551 56.477 56.477 56.789 -0.312 19052 4817 1 17 . 1 1 551 551 GLN CB C 551 29.046 29.046 28.924 0.122 19052 4818 1 17 . 1 1 551 551 GLN H H 551 8.336 8.336 7.735 0.601 19052 4819 1 17 . 1 1 552 552 ASP N N 552 119.497 119.497 117.388 2.109 19052 4820 1 17 . 1 1 552 552 ASP HA H 552 4.434 4.434 4.645 -0.211 19052 4821 1 17 . 1 1 552 552 ASP C C 552 173.446 173.446 176.562 -3.116 19052 4822 1 17 . 1 1 552 552 ASP CA C 552 55.146 55.146 54.419 0.727 19052 4823 1 17 . 1 1 552 552 ASP CB C 552 41.174 41.174 42.504 -1.330 19052 4824 1 17 . 1 1 552 552 ASP H H 552 8.192 8.192 8.480 -0.288 19052 4825 1 17 . 1 1 553 553 GLY N N 553 107.920 107.920 107.565 0.355 19052 4826 1 17 . 1 1 553 553 GLY C C 553 175.627 175.627 174.636 0.991 19052 4827 1 17 . 1 1 553 553 GLY CA C 553 45.791 45.791 45.101 0.690 19052 4828 1 17 . 1 1 553 553 GLY H H 553 8.114 8.114 7.902 0.212 19052 4829 1 17 . 1 1 554 554 LEU N N 554 121.436 121.436 119.252 2.184 19052 4830 1 17 . 1 1 554 554 LEU HA H 554 4.150 4.150 4.160 -0.010 19052 4831 1 17 . 1 1 554 554 LEU C C 554 172.742 172.742 176.780 -4.038 19052 4832 1 17 . 1 1 554 554 LEU CA C 554 56.520 56.520 56.926 -0.406 19052 4833 1 17 . 1 1 554 554 LEU CB C 554 42.857 42.857 41.634 1.223 19052 4834 1 17 . 1 1 554 554 LEU H H 554 8.055 8.055 7.838 0.217 19052 4835 1 17 . 1 1 555 555 ILE N N 555 117.147 117.147 113.904 3.243 19052 4836 1 17 . 1 1 555 555 ILE HA H 555 3.947 3.947 3.732 0.215 19052 4837 1 17 . 1 1 555 555 ILE C C 555 174.354 174.354 176.525 -2.171 19052 4838 1 17 . 1 1 555 555 ILE CA C 555 62.214 62.214 61.470 0.744 19052 4839 1 17 . 1 1 555 555 ILE CB C 555 38.447 38.447 36.025 2.422 19052 4840 1 17 . 1 1 555 555 ILE H H 555 7.946 7.946 7.899 0.047 19052 4841 1 17 . 1 1 556 556 CYS N N 556 119.354 119.354 123.228 -3.874 19052 4842 1 17 . 1 1 556 556 CYS HA H 556 4.439 4.439 4.228 0.211 19052 4843 1 17 . 1 1 556 556 CYS C C 556 174.864 174.864 176.109 -1.245 19052 4844 1 17 . 1 1 556 556 CYS CA C 556 55.915 55.915 60.084 -4.169 19052 4845 1 17 . 1 1 556 556 CYS CB C 556 40.902 40.902 27.723 13.179 19052 4846 1 17 . 1 1 556 556 CYS H H 556 8.193 8.193 8.764 -0.571 19052 4847 1 17 . 1 1 557 557 GLY N N 557 108.370 108.370 107.478 0.892 19052 4848 1 17 . 1 1 557 557 GLY C C 557 176.365 176.365 174.393 1.972 19052 4849 1 17 . 1 1 557 557 GLY CA C 557 45.923 45.923 46.279 -0.356 19052 4850 1 17 . 1 1 557 557 GLY H H 557 8.112 8.112 8.509 -0.397 19052 4851 1 17 . 1 1 558 558 LEU N N 558 120.302 120.302 112.647 7.655 19052 4852 1 17 . 1 1 558 558 LEU HA H 558 4.209 4.209 4.823 -0.614 19052 4853 1 17 . 1 1 558 558 LEU C C 558 173.387 173.387 174.867 -1.480 19052 4854 1 17 . 1 1 558 558 LEU CA C 558 55.568 55.568 54.909 0.659 19052 4855 1 17 . 1 1 558 558 LEU CB C 558 42.943 42.943 43.611 -0.668 19052 4856 1 17 . 1 1 558 558 LEU H H 558 7.816 7.816 7.933 -0.117 19052 4857 1 17 . 1 1 559 559 ARG N N 559 119.826 119.826 116.539 3.287 19052 4858 1 17 . 1 1 559 559 ARG HA H 559 4.246 4.246 4.345 -0.099 19052 4859 1 17 . 1 1 559 559 ARG C C 559 175.047 175.047 173.946 1.101 19052 4860 1 17 . 1 1 559 559 ARG CA C 559 55.858 55.858 55.828 0.031 19052 4861 1 17 . 1 1 559 559 ARG CB C 559 30.806 30.806 29.788 1.018 19052 4862 1 17 . 1 1 559 559 ARG H H 559 7.996 7.996 7.886 0.110 19052 4863 1 18 . 1 1 508 508 GLN N N 508 120.688 120.688 119.428 1.260 19052 4864 1 18 . 1 1 508 508 GLN HA H 508 4.590 4.590 4.809 -0.219 19052 4865 1 18 . 1 1 508 508 GLN CA C 508 53.781 53.781 53.955 -0.174 19052 4866 1 18 . 1 1 508 508 GLN CB C 508 29.074 29.074 29.606 -0.532 19052 4867 1 18 . 1 1 508 508 GLN H H 508 8.558 8.558 8.088 0.470 19052 4868 1 18 . 1 1 509 509 PRO HA H 509 4.322 4.322 4.523 -0.201 19052 4869 1 18 . 1 1 509 509 PRO C C 509 173.716 173.716 176.146 -2.430 19052 4870 1 18 . 1 1 509 509 PRO CA C 509 63.284 63.284 62.825 0.459 19052 4871 1 18 . 1 1 509 509 PRO CB C 509 32.273 32.273 31.683 0.590 19052 4872 1 18 . 1 1 510 510 LYS N N 510 121.212 121.212 116.557 4.655 19052 4873 1 18 . 1 1 510 510 LYS HA H 510 4.205 4.205 4.018 0.187 19052 4874 1 18 . 1 1 510 510 LYS C C 510 173.988 173.988 175.576 -1.588 19052 4875 1 18 . 1 1 510 510 LYS CA C 510 56.301 56.301 56.889 -0.589 19052 4876 1 18 . 1 1 510 510 LYS CB C 510 33.419 33.419 30.541 2.878 19052 4877 1 18 . 1 1 510 510 LYS H H 510 8.322 8.322 7.913 0.409 19052 4878 1 18 . 1 1 511 511 CYS N N 511 119.342 119.342 118.906 0.436 19052 4879 1 18 . 1 1 511 511 CYS HA H 511 4.558 4.558 4.620 -0.062 19052 4880 1 18 . 1 1 511 511 CYS C C 511 176.901 176.901 173.157 3.744 19052 4881 1 18 . 1 1 511 511 CYS CA C 511 55.516 55.516 57.288 -1.772 19052 4882 1 18 . 1 1 511 511 CYS CB C 511 41.836 41.836 26.858 14.978 19052 4883 1 18 . 1 1 511 511 CYS H H 511 8.269 8.269 8.317 -0.048 19052 4884 1 18 . 1 1 512 512 ASN N N 512 122.311 122.311 119.501 2.810 19052 4885 1 18 . 1 1 512 512 ASN HA H 512 4.890 4.890 5.049 -0.159 19052 4886 1 18 . 1 1 512 512 ASN CA C 512 51.259 51.259 51.382 -0.123 19052 4887 1 18 . 1 1 512 512 ASN CB C 512 39.388 39.388 39.750 -0.362 19052 4888 1 18 . 1 1 512 512 ASN H H 512 8.605 8.605 7.824 0.781 19052 4889 1 18 . 1 1 513 513 PRO HA H 513 4.295 4.295 4.434 -0.139 19052 4890 1 18 . 1 1 513 513 PRO C C 513 173.951 173.951 176.179 -2.228 19052 4891 1 18 . 1 1 513 513 PRO CA C 513 63.657 63.657 64.185 -0.528 19052 4892 1 18 . 1 1 513 513 PRO CB C 513 32.188 32.188 32.556 -0.368 19052 4893 1 18 . 1 1 514 514 ASN N N 514 117.512 117.512 115.078 2.434 19052 4894 1 18 . 1 1 514 514 ASN HA H 514 4.539 4.539 4.718 -0.179 19052 4895 1 18 . 1 1 514 514 ASN C C 514 175.348 175.348 174.115 1.233 19052 4896 1 18 . 1 1 514 514 ASN CA C 514 53.557 53.557 52.972 0.585 19052 4897 1 18 . 1 1 514 514 ASN CB C 514 39.195 39.195 40.111 -0.916 19052 4898 1 18 . 1 1 514 514 ASN H H 514 8.288 8.288 8.083 0.205 19052 4899 1 18 . 1 1 515 515 LEU N N 515 121.066 121.066 116.080 4.986 19052 4900 1 18 . 1 1 515 515 LEU HA H 515 4.157 4.157 3.861 0.296 19052 4901 1 18 . 1 1 515 515 LEU C C 515 173.686 173.686 175.381 -1.695 19052 4902 1 18 . 1 1 515 515 LEU CA C 515 55.344 55.344 55.722 -0.378 19052 4903 1 18 . 1 1 515 515 LEU CB C 515 42.525 42.525 39.865 2.660 19052 4904 1 18 . 1 1 515 515 LEU H H 515 7.773 7.773 8.240 -0.467 19052 4905 1 18 . 1 1 516 516 HIS N N 516 117.512 117.512 115.944 1.568 19052 4906 1 18 . 1 1 516 516 HIS HA H 516 4.438 4.438 4.616 -0.178 19052 4907 1 18 . 1 1 516 516 HIS C C 516 175.736 175.736 175.742 -0.006 19052 4908 1 18 . 1 1 516 516 HIS CA C 516 55.806 55.806 56.424 -0.618 19052 4909 1 18 . 1 1 516 516 HIS CB C 516 28.903 28.903 30.288 -1.385 19052 4910 1 18 . 1 1 516 516 HIS H H 516 8.109 8.109 8.436 -0.327 19052 4911 1 18 . 1 1 517 517 TYR N N 517 120.068 120.068 116.020 4.048 19052 4912 1 18 . 1 1 517 517 TYR HA H 517 4.206 4.206 4.370 -0.164 19052 4913 1 18 . 1 1 517 517 TYR C C 517 174.847 174.847 174.833 0.014 19052 4914 1 18 . 1 1 517 517 TYR CA C 517 59.252 59.252 57.566 1.685 19052 4915 1 18 . 1 1 517 517 TYR CB C 517 39.066 39.066 37.540 1.526 19052 4916 1 18 . 1 1 517 517 TYR H H 517 8.070 8.070 7.727 0.343 19052 4917 1 18 . 1 1 518 518 TRP N N 518 118.503 118.503 120.932 -2.429 19052 4918 1 18 . 1 1 518 518 TRP HA H 518 4.549 4.549 4.789 -0.240 19052 4919 1 18 . 1 1 518 518 TRP C C 518 174.443 174.443 176.613 -2.170 19052 4920 1 18 . 1 1 518 518 TRP CA C 518 57.822 57.822 56.127 1.694 19052 4921 1 18 . 1 1 518 518 TRP CB C 518 29.912 29.912 31.979 -2.067 19052 4922 1 18 . 1 1 518 518 TRP H H 518 7.641 7.641 6.921 0.720 19052 4923 1 18 . 1 1 519 519 THR N N 519 112.242 112.242 118.129 -5.887 19052 4924 1 18 . 1 1 519 519 THR HA H 519 4.340 4.340 3.807 0.533 19052 4925 1 18 . 1 1 519 519 THR C C 519 175.579 175.579 174.693 0.886 19052 4926 1 18 . 1 1 519 519 THR CA C 519 61.791 61.791 64.913 -3.122 19052 4927 1 18 . 1 1 519 519 THR CB C 519 70.049 70.049 68.690 1.359 19052 4928 1 18 . 1 1 519 519 THR H H 519 7.887 7.887 8.086 -0.199 19052 4929 1 18 . 1 1 520 520 THR N N 520 114.383 114.383 109.232 5.151 19052 4930 1 18 . 1 1 520 520 THR HA H 520 4.245 4.245 4.383 -0.138 19052 4931 1 18 . 1 1 520 520 THR C C 520 175.402 175.402 172.447 2.955 19052 4932 1 18 . 1 1 520 520 THR CA C 520 62.140 62.140 63.133 -0.993 19052 4933 1 18 . 1 1 520 520 THR CB C 520 69.994 69.994 69.650 0.344 19052 4934 1 18 . 1 1 520 520 THR H H 520 7.936 7.936 8.360 -0.424 19052 4935 1 18 . 1 1 521 521 GLN N N 521 121.482 121.482 122.606 -1.124 19052 4936 1 18 . 1 1 521 521 GLN HA H 521 4.167 4.167 4.361 -0.194 19052 4937 1 18 . 1 1 521 521 GLN C C 521 174.280 174.280 174.633 -0.353 19052 4938 1 18 . 1 1 521 521 GLN CA C 521 56.569 56.569 55.919 0.650 19052 4939 1 18 . 1 1 521 521 GLN CB C 521 29.357 29.357 29.957 -0.600 19052 4940 1 18 . 1 1 521 521 GLN H H 521 8.238 8.238 8.074 0.164 19052 4941 1 18 . 1 1 522 522 ASP N N 522 120.331 120.331 122.810 -2.479 19052 4942 1 18 . 1 1 522 522 ASP HA H 522 4.436 4.436 4.335 0.101 19052 4943 1 18 . 1 1 522 522 ASP C C 522 173.622 173.622 175.465 -1.843 19052 4944 1 18 . 1 1 522 522 ASP CA C 522 55.067 55.067 55.790 -0.723 19052 4945 1 18 . 1 1 522 522 ASP CB C 522 41.079 41.079 40.629 0.450 19052 4946 1 18 . 1 1 522 522 ASP H H 522 8.151 8.151 8.775 -0.624 19052 4947 1 18 . 1 1 523 523 GLU N N 523 120.580 120.580 120.541 0.039 19052 4948 1 18 . 1 1 523 523 GLU HA H 523 4.086 4.086 3.922 0.164 19052 4949 1 18 . 1 1 523 523 GLU C C 523 173.037 173.037 175.181 -2.144 19052 4950 1 18 . 1 1 523 523 GLU CA C 523 57.580 57.580 56.207 1.373 19052 4951 1 18 . 1 1 523 523 GLU CB C 523 29.542 29.542 29.035 0.507 19052 4952 1 18 . 1 1 523 523 GLU H H 523 8.261 8.261 8.493 -0.232 19052 4953 1 18 . 1 1 524 524 GLY N N 524 108.383 108.383 106.201 2.182 19052 4954 1 18 . 1 1 524 524 GLY C C 524 175.981 175.981 173.869 2.112 19052 4955 1 18 . 1 1 524 524 GLY CA C 524 45.936 45.936 44.815 1.121 19052 4956 1 18 . 1 1 524 524 GLY H H 524 8.287 8.287 7.963 0.324 19052 4957 1 18 . 1 1 525 525 ALA N N 525 122.951 122.951 123.294 -0.343 19052 4958 1 18 . 1 1 525 525 ALA HA H 525 4.150 4.150 4.315 -0.165 19052 4959 1 18 . 1 1 525 525 ALA C C 525 172.507 172.507 176.981 -4.474 19052 4960 1 18 . 1 1 525 525 ALA CA C 525 53.068 53.068 51.318 1.750 19052 4961 1 18 . 1 1 525 525 ALA CB C 525 19.406 19.406 16.626 2.780 19052 4962 1 18 . 1 1 525 525 ALA H H 525 7.846 7.846 8.125 -0.279 19052 4963 1 18 . 1 1 526 526 ALA N N 526 122.022 122.022 121.752 0.270 19052 4964 1 18 . 1 1 526 526 ALA HA H 526 4.181 4.181 3.878 0.303 19052 4965 1 18 . 1 1 526 526 ALA C C 526 172.070 172.070 176.344 -4.274 19052 4966 1 18 . 1 1 526 526 ALA CA C 526 53.158 53.158 52.995 0.163 19052 4967 1 18 . 1 1 526 526 ALA CB C 526 19.271 19.271 17.848 1.423 19052 4968 1 18 . 1 1 526 526 ALA H H 526 8.014 8.014 8.234 -0.220 19052 4969 1 18 . 1 1 527 527 ILE N N 527 118.520 118.520 119.615 -1.095 19052 4970 1 18 . 1 1 527 527 ILE HA H 527 3.887 3.887 4.067 -0.180 19052 4971 1 18 . 1 1 527 527 ILE C C 527 173.664 173.664 176.702 -3.038 19052 4972 1 18 . 1 1 527 527 ILE CA C 527 62.221 62.221 61.769 0.452 19052 4973 1 18 . 1 1 527 527 ILE CB C 527 38.735 38.735 37.890 0.845 19052 4974 1 18 . 1 1 527 527 ILE H H 527 7.907 7.907 7.932 -0.025 19052 4975 1 18 . 1 1 528 528 GLY N N 528 109.901 109.901 109.061 0.840 19052 4976 1 18 . 1 1 528 528 GLY C C 528 175.853 175.853 174.630 1.223 19052 4977 1 18 . 1 1 528 528 GLY CA C 528 46.143 46.143 46.123 0.020 19052 4978 1 18 . 1 1 528 528 GLY H H 528 8.251 8.251 8.288 -0.037 19052 4979 1 18 . 1 1 529 529 ALA N N 529 122.244 122.244 121.324 0.920 19052 4980 1 18 . 1 1 529 529 ALA HA H 529 3.997 3.997 3.879 0.118 19052 4981 1 18 . 1 1 529 529 ALA C C 529 171.603 171.603 176.505 -4.902 19052 4982 1 18 . 1 1 529 529 ALA CA C 529 54.036 54.036 53.022 1.014 19052 4983 1 18 . 1 1 529 529 ALA CB C 529 19.173 19.173 17.671 1.502 19052 4984 1 18 . 1 1 529 529 ALA H H 529 7.968 7.968 7.562 0.406 19052 4985 1 18 . 1 1 530 530 ALA N N 530 119.150 119.150 118.152 0.998 19052 4986 1 18 . 1 1 530 530 ALA HA H 530 4.055 4.055 3.734 0.321 19052 4987 1 18 . 1 1 530 530 ALA C C 530 172.413 172.413 175.968 -3.555 19052 4988 1 18 . 1 1 530 530 ALA CA C 530 53.591 53.591 51.430 2.161 19052 4989 1 18 . 1 1 530 530 ALA CB C 530 19.102 19.102 18.695 0.407 19052 4990 1 18 . 1 1 530 530 ALA H H 530 8.161 8.161 7.546 0.615 19052 4991 1 18 . 1 1 531 531 TRP N N 531 115.703 115.703 115.598 0.105 19052 4992 1 18 . 1 1 531 531 TRP HA H 531 4.525 4.525 4.243 0.282 19052 4993 1 18 . 1 1 531 531 TRP C C 531 173.708 173.708 174.938 -1.230 19052 4994 1 18 . 1 1 531 531 TRP CA C 531 57.449 57.449 56.958 0.491 19052 4995 1 18 . 1 1 531 531 TRP CB C 531 30.079 30.079 26.308 3.771 19052 4996 1 18 . 1 1 531 531 TRP H H 531 7.758 7.758 7.994 -0.236 19052 4997 1 18 . 1 1 532 532 ILE N N 532 120.648 120.648 118.181 2.467 19052 4998 1 18 . 1 1 532 532 ILE HA H 532 3.814 3.814 4.557 -0.743 19052 4999 1 18 . 1 1 532 532 ILE CA C 532 63.978 63.978 58.601 5.377 19052 5000 1 18 . 1 1 532 532 ILE CB C 532 37.291 37.291 38.470 -1.179 19052 5001 1 18 . 1 1 532 532 ILE H H 532 7.515 7.515 7.929 -0.414 19052 5002 1 18 . 1 1 533 533 PRO HA H 533 4.199 4.199 4.200 -0.001 19052 5003 1 18 . 1 1 533 533 PRO C C 533 173.380 173.380 176.982 -3.602 19052 5004 1 18 . 1 1 533 533 PRO CA C 533 64.877 64.877 65.138 -0.261 19052 5005 1 18 . 1 1 533 533 PRO CB C 533 31.795 31.795 31.060 0.735 19052 5006 1 18 . 1 1 534 534 TYR N N 534 114.701 114.701 117.448 -2.747 19052 5007 1 18 . 1 1 534 534 TYR HA H 534 4.127 4.127 4.165 -0.038 19052 5008 1 18 . 1 1 534 534 TYR C C 534 174.356 174.356 176.724 -2.368 19052 5009 1 18 . 1 1 534 534 TYR CA C 534 60.153 60.153 60.002 0.151 19052 5010 1 18 . 1 1 534 534 TYR CB C 534 38.665 38.665 37.853 0.812 19052 5011 1 18 . 1 1 534 534 TYR H H 534 7.558 7.558 8.020 -0.462 19052 5012 1 18 . 1 1 535 535 PHE N N 535 116.978 116.978 112.560 4.418 19052 5013 1 18 . 1 1 535 535 PHE HA H 535 4.381 4.381 4.975 -0.594 19052 5014 1 18 . 1 1 535 535 PHE C C 535 174.160 174.160 176.326 -2.166 19052 5015 1 18 . 1 1 535 535 PHE CA C 535 59.095 59.095 55.320 3.775 19052 5016 1 18 . 1 1 535 535 PHE CB C 535 40.607 40.607 38.565 2.042 19052 5017 1 18 . 1 1 535 535 PHE H H 535 8.003 8.003 6.963 1.040 19052 5018 1 18 . 1 1 536 536 GLY N N 536 107.091 107.091 112.336 -5.245 19052 5019 1 18 . 1 1 536 536 GLY CA C 536 47.335 47.335 46.825 0.509 19052 5020 1 18 . 1 1 536 536 GLY H H 536 8.130 8.130 8.864 -0.734 19052 5021 1 18 . 1 1 537 537 PRO HA H 537 4.244 4.244 4.635 -0.391 19052 5022 1 18 . 1 1 537 537 PRO C C 537 171.319 171.319 175.759 -4.440 19052 5023 1 18 . 1 1 537 537 PRO CA C 537 65.023 65.023 63.568 1.455 19052 5024 1 18 . 1 1 537 537 PRO CB C 537 31.842 31.842 30.810 1.032 19052 5025 1 18 . 1 1 538 538 ALA N N 538 120.335 120.335 119.293 1.042 19052 5026 1 18 . 1 1 538 538 ALA HA H 538 4.104 4.104 4.719 -0.615 19052 5027 1 18 . 1 1 538 538 ALA C C 538 171.431 171.431 176.290 -4.859 19052 5028 1 18 . 1 1 538 538 ALA CA C 538 54.534 54.534 52.234 2.300 19052 5029 1 18 . 1 1 538 538 ALA CB C 538 18.866 18.866 20.834 -1.968 19052 5030 1 18 . 1 1 538 538 ALA H H 538 7.913 7.913 8.091 -0.178 19052 5031 1 18 . 1 1 539 539 ALA N N 539 120.016 120.016 119.462 0.554 19052 5032 1 18 . 1 1 539 539 ALA HA H 539 3.916 3.916 4.751 -0.835 19052 5033 1 18 . 1 1 539 539 ALA C C 539 171.593 171.593 176.994 -5.401 19052 5034 1 18 . 1 1 539 539 ALA CA C 539 54.669 54.669 52.782 1.887 19052 5035 1 18 . 1 1 539 539 ALA CB C 539 18.929 18.929 20.435 -1.506 19052 5036 1 18 . 1 1 539 539 ALA H H 539 8.105 8.105 7.538 0.567 19052 5037 1 18 . 1 1 540 540 GLU N N 540 116.288 116.288 120.802 -4.514 19052 5038 1 18 . 1 1 540 540 GLU HA H 540 3.922 3.922 4.337 -0.415 19052 5039 1 18 . 1 1 540 540 GLU C C 540 171.649 171.649 177.030 -5.381 19052 5040 1 18 . 1 1 540 540 GLU CA C 540 59.055 59.055 56.287 2.768 19052 5041 1 18 . 1 1 540 540 GLU CB C 540 29.335 29.335 27.719 1.616 19052 5042 1 18 . 1 1 540 540 GLU H H 540 8.081 8.081 8.548 -0.467 19052 5043 1 18 . 1 1 541 541 GLY N N 541 107.262 107.262 109.174 -1.912 19052 5044 1 18 . 1 1 541 541 GLY C C 541 174.868 174.868 175.060 -0.192 19052 5045 1 18 . 1 1 541 541 GLY CA C 541 46.506 46.506 45.764 0.742 19052 5046 1 18 . 1 1 541 541 GLY H H 541 8.063 8.063 9.160 -1.097 19052 5047 1 18 . 1 1 542 542 ILE N N 542 120.614 120.614 121.803 -1.189 19052 5048 1 18 . 1 1 542 542 ILE HA H 542 3.760 3.760 3.592 0.168 19052 5049 1 18 . 1 1 542 542 ILE C C 542 173.000 173.000 176.226 -3.226 19052 5050 1 18 . 1 1 542 542 ILE CA C 542 64.103 64.103 64.015 0.088 19052 5051 1 18 . 1 1 542 542 ILE CB C 542 38.394 38.394 37.784 0.610 19052 5052 1 18 . 1 1 542 542 ILE H H 542 7.843 7.843 8.108 -0.265 19052 5053 1 18 . 1 1 543 543 TYR N N 543 120.210 120.210 117.423 2.787 19052 5054 1 18 . 1 1 543 543 TYR HA H 543 4.178 4.178 4.115 0.063 19052 5055 1 18 . 1 1 543 543 TYR C C 543 173.268 173.268 176.854 -3.586 19052 5056 1 18 . 1 1 543 543 TYR CA C 543 60.547 60.547 59.345 1.202 19052 5057 1 18 . 1 1 543 543 TYR CB C 543 38.923 38.923 35.871 3.052 19052 5058 1 18 . 1 1 543 543 TYR H H 543 8.027 8.027 8.501 -0.474 19052 5059 1 18 . 1 1 544 544 ALA N N 544 121.025 121.025 121.157 -0.132 19052 5060 1 18 . 1 1 544 544 ALA HA H 544 3.953 3.953 3.686 0.267 19052 5061 1 18 . 1 1 544 544 ALA C C 544 171.072 171.072 179.214 -8.142 19052 5062 1 18 . 1 1 544 544 ALA CA C 544 54.440 54.440 53.868 0.572 19052 5063 1 18 . 1 1 544 544 ALA CB C 544 19.028 19.028 17.681 1.347 19052 5064 1 18 . 1 1 544 544 ALA H H 544 8.079 8.079 7.052 1.027 19052 5065 1 18 . 1 1 545 545 GLU N N 545 116.132 116.132 118.742 -2.610 19052 5066 1 18 . 1 1 545 545 GLU HA H 545 4.096 4.096 4.033 0.063 19052 5067 1 18 . 1 1 545 545 GLU C C 545 172.525 172.525 178.179 -5.654 19052 5068 1 18 . 1 1 545 545 GLU CA C 545 57.355 57.355 57.276 0.079 19052 5069 1 18 . 1 1 545 545 GLU CB C 545 29.517 29.517 29.605 -0.088 19052 5070 1 18 . 1 1 545 545 GLU H H 545 7.880 7.880 8.289 -0.409 19052 5071 1 18 . 1 1 546 546 GLY N N 546 107.283 107.283 110.023 -2.740 19052 5072 1 18 . 1 1 546 546 GLY C C 546 175.638 175.638 174.055 1.583 19052 5073 1 18 . 1 1 546 546 GLY CA C 546 46.241 46.241 45.930 0.311 19052 5074 1 18 . 1 1 546 546 GLY H H 546 8.028 8.028 8.153 -0.125 19052 5075 1 18 . 1 1 547 547 LEU N N 547 119.944 119.944 116.367 3.577 19052 5076 1 18 . 1 1 547 547 LEU HA H 547 4.127 4.127 4.656 -0.529 19052 5077 1 18 . 1 1 547 547 LEU C C 547 172.747 172.747 176.560 -3.813 19052 5078 1 18 . 1 1 547 547 LEU CA C 547 56.418 56.418 55.936 0.482 19052 5079 1 18 . 1 1 547 547 LEU CB C 547 42.717 42.717 42.549 0.168 19052 5080 1 18 . 1 1 547 547 LEU H H 547 7.865 7.865 8.401 -0.536 19052 5081 1 18 . 1 1 548 548 MET N N 548 115.796 115.796 113.334 2.462 19052 5082 1 18 . 1 1 548 548 MET HA H 548 4.231 4.231 4.714 -0.483 19052 5083 1 18 . 1 1 548 548 MET C C 548 173.854 173.854 176.802 -2.948 19052 5084 1 18 . 1 1 548 548 MET CA C 548 55.914 55.914 56.976 -1.062 19052 5085 1 18 . 1 1 548 548 MET CB C 548 32.474 32.474 33.171 -0.697 19052 5086 1 18 . 1 1 548 548 MET H H 548 7.958 7.958 8.622 -0.664 19052 5087 1 18 . 1 1 549 549 HIS N N 549 116.928 116.928 120.908 -3.980 19052 5088 1 18 . 1 1 549 549 HIS HA H 549 4.572 4.572 4.532 0.040 19052 5089 1 18 . 1 1 549 549 HIS C C 549 175.817 175.817 176.215 -0.398 19052 5090 1 18 . 1 1 549 549 HIS CA C 549 55.746 55.746 59.368 -3.622 19052 5091 1 18 . 1 1 549 549 HIS CB C 549 28.918 28.918 29.127 -0.209 19052 5092 1 18 . 1 1 549 549 HIS H H 549 8.059 8.059 8.397 -0.338 19052 5093 1 18 . 1 1 550 550 ASN N N 550 118.413 118.413 115.437 2.976 19052 5094 1 18 . 1 1 550 550 ASN HA H 550 4.554 4.554 4.579 -0.025 19052 5095 1 18 . 1 1 550 550 ASN C C 550 174.738 174.738 175.975 -1.237 19052 5096 1 18 . 1 1 550 550 ASN CA C 550 53.874 53.874 53.176 0.698 19052 5097 1 18 . 1 1 550 550 ASN CB C 550 38.883 38.883 37.852 1.031 19052 5098 1 18 . 1 1 550 550 ASN H H 550 8.222 8.222 8.425 -0.203 19052 5099 1 18 . 1 1 551 551 GLN N N 551 119.844 119.844 119.256 0.588 19052 5100 1 18 . 1 1 551 551 GLN HA H 551 4.217 4.217 4.205 0.012 19052 5101 1 18 . 1 1 551 551 GLN C C 551 173.745 173.745 175.409 -1.664 19052 5102 1 18 . 1 1 551 551 GLN CA C 551 56.477 56.477 57.080 -0.603 19052 5103 1 18 . 1 1 551 551 GLN CB C 551 29.046 29.046 29.404 -0.358 19052 5104 1 18 . 1 1 551 551 GLN H H 551 8.336 8.336 7.932 0.404 19052 5105 1 18 . 1 1 552 552 ASP N N 552 119.497 119.497 116.992 2.505 19052 5106 1 18 . 1 1 552 552 ASP HA H 552 4.434 4.434 4.746 -0.312 19052 5107 1 18 . 1 1 552 552 ASP C C 552 173.446 173.446 176.316 -2.870 19052 5108 1 18 . 1 1 552 552 ASP CA C 552 55.146 55.146 54.410 0.736 19052 5109 1 18 . 1 1 552 552 ASP CB C 552 41.174 41.174 43.499 -2.325 19052 5110 1 18 . 1 1 552 552 ASP H H 552 8.192 8.192 8.467 -0.275 19052 5111 1 18 . 1 1 553 553 GLY N N 553 107.920 107.920 107.593 0.327 19052 5112 1 18 . 1 1 553 553 GLY C C 553 175.627 175.627 174.748 0.879 19052 5113 1 18 . 1 1 553 553 GLY CA C 553 45.791 45.791 45.033 0.758 19052 5114 1 18 . 1 1 553 553 GLY H H 553 8.114 8.114 7.806 0.308 19052 5115 1 18 . 1 1 554 554 LEU N N 554 121.436 121.436 119.143 2.293 19052 5116 1 18 . 1 1 554 554 LEU HA H 554 4.150 4.150 4.051 0.099 19052 5117 1 18 . 1 1 554 554 LEU C C 554 172.742 172.742 177.046 -4.304 19052 5118 1 18 . 1 1 554 554 LEU CA C 554 56.520 56.520 57.145 -0.625 19052 5119 1 18 . 1 1 554 554 LEU CB C 554 42.857 42.857 41.650 1.208 19052 5120 1 18 . 1 1 554 554 LEU H H 554 8.055 8.055 7.697 0.358 19052 5121 1 18 . 1 1 555 555 ILE N N 555 117.147 117.147 114.898 2.249 19052 5122 1 18 . 1 1 555 555 ILE HA H 555 3.947 3.947 3.873 0.074 19052 5123 1 18 . 1 1 555 555 ILE C C 555 174.354 174.354 176.371 -2.017 19052 5124 1 18 . 1 1 555 555 ILE CA C 555 62.214 62.214 61.164 1.050 19052 5125 1 18 . 1 1 555 555 ILE CB C 555 38.447 38.447 35.268 3.179 19052 5126 1 18 . 1 1 555 555 ILE H H 555 7.946 7.946 7.916 0.030 19052 5127 1 18 . 1 1 556 556 CYS N N 556 119.354 119.354 124.729 -5.375 19052 5128 1 18 . 1 1 556 556 CYS HA H 556 4.439 4.439 4.266 0.173 19052 5129 1 18 . 1 1 556 556 CYS C C 556 174.864 174.864 176.264 -1.400 19052 5130 1 18 . 1 1 556 556 CYS CA C 556 55.915 55.915 60.926 -5.011 19052 5131 1 18 . 1 1 556 556 CYS CB C 556 40.902 40.902 27.502 13.400 19052 5132 1 18 . 1 1 556 556 CYS H H 556 8.193 8.193 8.761 -0.568 19052 5133 1 18 . 1 1 557 557 GLY N N 557 108.370 108.370 108.453 -0.083 19052 5134 1 18 . 1 1 557 557 GLY C C 557 176.365 176.365 174.454 1.911 19052 5135 1 18 . 1 1 557 557 GLY CA C 557 45.923 45.923 45.762 0.161 19052 5136 1 18 . 1 1 557 557 GLY H H 557 8.112 8.112 8.308 -0.196 19052 5137 1 18 . 1 1 558 558 LEU N N 558 120.302 120.302 113.120 7.182 19052 5138 1 18 . 1 1 558 558 LEU HA H 558 4.209 4.209 4.653 -0.444 19052 5139 1 18 . 1 1 558 558 LEU C C 558 173.387 173.387 174.740 -1.353 19052 5140 1 18 . 1 1 558 558 LEU CA C 558 55.568 55.568 55.089 0.479 19052 5141 1 18 . 1 1 558 558 LEU CB C 558 42.943 42.943 43.512 -0.569 19052 5142 1 18 . 1 1 558 558 LEU H H 558 7.816 7.816 7.498 0.318 19052 5143 1 18 . 1 1 559 559 ARG N N 559 119.826 119.826 117.562 2.264 19052 5144 1 18 . 1 1 559 559 ARG HA H 559 4.246 4.246 4.301 -0.055 19052 5145 1 18 . 1 1 559 559 ARG C C 559 175.047 175.047 174.341 0.706 19052 5146 1 18 . 1 1 559 559 ARG CA C 559 55.858 55.858 55.956 -0.098 19052 5147 1 18 . 1 1 559 559 ARG CB C 559 30.806 30.806 29.405 1.401 19052 5148 1 18 . 1 1 559 559 ARG H H 559 7.996 7.996 8.031 -0.035 19052 5149 1 19 . 1 1 508 508 GLN N N 508 120.688 120.688 120.902 -0.214 19052 5150 1 19 . 1 1 508 508 GLN HA H 508 4.590 4.590 4.626 -0.036 19052 5151 1 19 . 1 1 508 508 GLN CA C 508 53.781 53.781 54.601 -0.820 19052 5152 1 19 . 1 1 508 508 GLN CB C 508 29.074 29.074 28.613 0.461 19052 5153 1 19 . 1 1 508 508 GLN H H 508 8.558 8.558 8.377 0.181 19052 5154 1 19 . 1 1 509 509 PRO HA H 509 4.322 4.322 4.637 -0.315 19052 5155 1 19 . 1 1 509 509 PRO C C 509 173.716 173.716 175.444 -1.728 19052 5156 1 19 . 1 1 509 509 PRO CA C 509 63.284 63.284 62.450 0.834 19052 5157 1 19 . 1 1 509 509 PRO CB C 509 32.273 32.273 32.020 0.253 19052 5158 1 19 . 1 1 510 510 LYS N N 510 121.212 121.212 118.022 3.190 19052 5159 1 19 . 1 1 510 510 LYS HA H 510 4.205 4.205 4.087 0.118 19052 5160 1 19 . 1 1 510 510 LYS C C 510 173.988 173.988 175.725 -1.737 19052 5161 1 19 . 1 1 510 510 LYS CA C 510 56.301 56.301 57.181 -0.880 19052 5162 1 19 . 1 1 510 510 LYS CB C 510 33.419 33.419 30.099 3.320 19052 5163 1 19 . 1 1 510 510 LYS H H 510 8.322 8.322 8.337 -0.015 19052 5164 1 19 . 1 1 511 511 CYS N N 511 119.342 119.342 114.035 5.307 19052 5165 1 19 . 1 1 511 511 CYS HA H 511 4.558 4.558 4.622 -0.064 19052 5166 1 19 . 1 1 511 511 CYS C C 511 176.901 176.901 173.779 3.122 19052 5167 1 19 . 1 1 511 511 CYS CA C 511 55.516 55.516 56.691 -1.175 19052 5168 1 19 . 1 1 511 511 CYS CB C 511 41.836 41.836 27.055 14.781 19052 5169 1 19 . 1 1 511 511 CYS H H 511 8.269 8.269 8.299 -0.030 19052 5170 1 19 . 1 1 512 512 ASN N N 512 122.311 122.311 118.543 3.768 19052 5171 1 19 . 1 1 512 512 ASN HA H 512 4.890 4.890 5.846 -0.956 19052 5172 1 19 . 1 1 512 512 ASN CA C 512 51.259 51.259 50.802 0.457 19052 5173 1 19 . 1 1 512 512 ASN CB C 512 39.388 39.388 39.358 0.030 19052 5174 1 19 . 1 1 512 512 ASN H H 512 8.605 8.605 7.810 0.795 19052 5175 1 19 . 1 1 513 513 PRO HA H 513 4.295 4.295 4.462 -0.167 19052 5176 1 19 . 1 1 513 513 PRO C C 513 173.951 173.951 176.128 -2.177 19052 5177 1 19 . 1 1 513 513 PRO CA C 513 63.657 63.657 63.741 -0.084 19052 5178 1 19 . 1 1 513 513 PRO CB C 513 32.188 32.188 32.239 -0.051 19052 5179 1 19 . 1 1 514 514 ASN N N 514 117.512 117.512 113.785 3.727 19052 5180 1 19 . 1 1 514 514 ASN HA H 514 4.539 4.539 4.511 0.028 19052 5181 1 19 . 1 1 514 514 ASN C C 514 175.348 175.348 173.778 1.570 19052 5182 1 19 . 1 1 514 514 ASN CA C 514 53.557 53.557 52.943 0.614 19052 5183 1 19 . 1 1 514 514 ASN CB C 514 39.195 39.195 40.030 -0.835 19052 5184 1 19 . 1 1 514 514 ASN H H 514 8.288 8.288 8.270 0.018 19052 5185 1 19 . 1 1 515 515 LEU N N 515 121.066 121.066 116.107 4.959 19052 5186 1 19 . 1 1 515 515 LEU HA H 515 4.157 4.157 4.136 0.021 19052 5187 1 19 . 1 1 515 515 LEU C C 515 173.686 173.686 175.874 -2.188 19052 5188 1 19 . 1 1 515 515 LEU CA C 515 55.344 55.344 55.798 -0.454 19052 5189 1 19 . 1 1 515 515 LEU CB C 515 42.525 42.525 39.231 3.294 19052 5190 1 19 . 1 1 515 515 LEU H H 515 7.773 7.773 8.168 -0.395 19052 5191 1 19 . 1 1 516 516 HIS N N 516 117.512 117.512 115.654 1.858 19052 5192 1 19 . 1 1 516 516 HIS HA H 516 4.438 4.438 4.733 -0.295 19052 5193 1 19 . 1 1 516 516 HIS C C 516 175.736 175.736 176.071 -0.335 19052 5194 1 19 . 1 1 516 516 HIS CA C 516 55.806 55.806 55.594 0.211 19052 5195 1 19 . 1 1 516 516 HIS CB C 516 28.903 28.903 30.719 -1.816 19052 5196 1 19 . 1 1 516 516 HIS H H 516 8.109 8.109 9.087 -0.978 19052 5197 1 19 . 1 1 517 517 TYR N N 517 120.068 120.068 116.282 3.786 19052 5198 1 19 . 1 1 517 517 TYR HA H 517 4.206 4.206 4.464 -0.258 19052 5199 1 19 . 1 1 517 517 TYR C C 517 174.847 174.847 175.405 -0.558 19052 5200 1 19 . 1 1 517 517 TYR CA C 517 59.252 59.252 58.825 0.427 19052 5201 1 19 . 1 1 517 517 TYR CB C 517 39.066 39.066 37.690 1.376 19052 5202 1 19 . 1 1 517 517 TYR H H 517 8.070 8.070 7.682 0.388 19052 5203 1 19 . 1 1 518 518 TRP N N 518 118.503 118.503 120.659 -2.156 19052 5204 1 19 . 1 1 518 518 TRP HA H 518 4.549 4.549 4.749 -0.200 19052 5205 1 19 . 1 1 518 518 TRP C C 518 174.443 174.443 176.637 -2.194 19052 5206 1 19 . 1 1 518 518 TRP CA C 518 57.822 57.822 56.810 1.012 19052 5207 1 19 . 1 1 518 518 TRP CB C 518 29.912 29.912 30.370 -0.458 19052 5208 1 19 . 1 1 518 518 TRP H H 518 7.641 7.641 7.367 0.274 19052 5209 1 19 . 1 1 519 519 THR N N 519 112.242 112.242 111.856 0.386 19052 5210 1 19 . 1 1 519 519 THR HA H 519 4.340 4.340 4.386 -0.046 19052 5211 1 19 . 1 1 519 519 THR C C 519 175.579 175.579 174.351 1.228 19052 5212 1 19 . 1 1 519 519 THR CA C 519 61.791 61.791 62.751 -0.960 19052 5213 1 19 . 1 1 519 519 THR CB C 519 70.049 70.049 69.753 0.296 19052 5214 1 19 . 1 1 519 519 THR H H 519 7.887 7.887 7.660 0.227 19052 5215 1 19 . 1 1 520 520 THR N N 520 114.383 114.383 113.320 1.063 19052 5216 1 19 . 1 1 520 520 THR HA H 520 4.245 4.245 4.293 -0.048 19052 5217 1 19 . 1 1 520 520 THR C C 520 175.402 175.402 173.589 1.813 19052 5218 1 19 . 1 1 520 520 THR CA C 520 62.140 62.140 62.975 -0.835 19052 5219 1 19 . 1 1 520 520 THR CB C 520 69.994 69.994 68.847 1.147 19052 5220 1 19 . 1 1 520 520 THR H H 520 7.936 7.936 7.722 0.214 19052 5221 1 19 . 1 1 521 521 GLN N N 521 121.482 121.482 121.987 -0.505 19052 5222 1 19 . 1 1 521 521 GLN HA H 521 4.167 4.167 4.271 -0.104 19052 5223 1 19 . 1 1 521 521 GLN C C 521 174.280 174.280 175.768 -1.488 19052 5224 1 19 . 1 1 521 521 GLN CA C 521 56.569 56.569 57.143 -0.574 19052 5225 1 19 . 1 1 521 521 GLN CB C 521 29.357 29.357 29.639 -0.282 19052 5226 1 19 . 1 1 521 521 GLN H H 521 8.238 8.238 8.281 -0.043 19052 5227 1 19 . 1 1 522 522 ASP N N 522 120.331 120.331 119.562 0.769 19052 5228 1 19 . 1 1 522 522 ASP HA H 522 4.436 4.436 4.355 0.081 19052 5229 1 19 . 1 1 522 522 ASP C C 522 173.622 173.622 176.129 -2.507 19052 5230 1 19 . 1 1 522 522 ASP CA C 522 55.067 55.067 56.317 -1.250 19052 5231 1 19 . 1 1 522 522 ASP CB C 522 41.079 41.079 41.001 0.078 19052 5232 1 19 . 1 1 522 522 ASP H H 522 8.151 8.151 8.590 -0.439 19052 5233 1 19 . 1 1 523 523 GLU N N 523 120.580 120.580 113.517 7.063 19052 5234 1 19 . 1 1 523 523 GLU HA H 523 4.086 4.086 3.548 0.538 19052 5235 1 19 . 1 1 523 523 GLU C C 523 173.037 173.037 175.844 -2.807 19052 5236 1 19 . 1 1 523 523 GLU CA C 523 57.580 57.580 56.834 0.746 19052 5237 1 19 . 1 1 523 523 GLU CB C 523 29.542 29.542 26.797 2.745 19052 5238 1 19 . 1 1 523 523 GLU H H 523 8.261 8.261 8.188 0.073 19052 5239 1 19 . 1 1 524 524 GLY N N 524 108.383 108.383 100.703 7.680 19052 5240 1 19 . 1 1 524 524 GLY C C 524 175.981 175.981 174.248 1.733 19052 5241 1 19 . 1 1 524 524 GLY CA C 524 45.936 45.936 44.492 1.444 19052 5242 1 19 . 1 1 524 524 GLY H H 524 8.287 8.287 8.023 0.264 19052 5243 1 19 . 1 1 525 525 ALA N N 525 122.951 122.951 124.911 -1.960 19052 5244 1 19 . 1 1 525 525 ALA HA H 525 4.150 4.150 4.288 -0.138 19052 5245 1 19 . 1 1 525 525 ALA C C 525 172.507 172.507 177.163 -4.656 19052 5246 1 19 . 1 1 525 525 ALA CA C 525 53.068 53.068 51.216 1.852 19052 5247 1 19 . 1 1 525 525 ALA CB C 525 19.406 19.406 16.892 2.514 19052 5248 1 19 . 1 1 525 525 ALA H H 525 7.846 7.846 7.661 0.185 19052 5249 1 19 . 1 1 526 526 ALA N N 526 122.022 122.022 121.617 0.405 19052 5250 1 19 . 1 1 526 526 ALA HA H 526 4.181 4.181 3.859 0.322 19052 5251 1 19 . 1 1 526 526 ALA C C 526 172.070 172.070 176.428 -4.358 19052 5252 1 19 . 1 1 526 526 ALA CA C 526 53.158 53.158 52.931 0.227 19052 5253 1 19 . 1 1 526 526 ALA CB C 526 19.271 19.271 17.823 1.448 19052 5254 1 19 . 1 1 526 526 ALA H H 526 8.014 8.014 8.364 -0.350 19052 5255 1 19 . 1 1 527 527 ILE N N 527 118.520 118.520 118.455 0.065 19052 5256 1 19 . 1 1 527 527 ILE HA H 527 3.887 3.887 4.034 -0.147 19052 5257 1 19 . 1 1 527 527 ILE C C 527 173.664 173.664 175.905 -2.241 19052 5258 1 19 . 1 1 527 527 ILE CA C 527 62.221 62.221 62.187 0.034 19052 5259 1 19 . 1 1 527 527 ILE CB C 527 38.735 38.735 38.395 0.340 19052 5260 1 19 . 1 1 527 527 ILE H H 527 7.907 7.907 7.851 0.056 19052 5261 1 19 . 1 1 528 528 GLY N N 528 109.901 109.901 109.885 0.016 19052 5262 1 19 . 1 1 528 528 GLY C C 528 175.853 175.853 174.805 1.048 19052 5263 1 19 . 1 1 528 528 GLY CA C 528 46.143 46.143 45.908 0.235 19052 5264 1 19 . 1 1 528 528 GLY H H 528 8.251 8.251 8.513 -0.262 19052 5265 1 19 . 1 1 529 529 ALA N N 529 122.244 122.244 120.923 1.321 19052 5266 1 19 . 1 1 529 529 ALA HA H 529 3.997 3.997 3.909 0.088 19052 5267 1 19 . 1 1 529 529 ALA C C 529 171.603 171.603 176.467 -4.864 19052 5268 1 19 . 1 1 529 529 ALA CA C 529 54.036 54.036 53.043 0.993 19052 5269 1 19 . 1 1 529 529 ALA CB C 529 19.173 19.173 17.557 1.616 19052 5270 1 19 . 1 1 529 529 ALA H H 529 7.968 7.968 7.379 0.589 19052 5271 1 19 . 1 1 530 530 ALA N N 530 119.150 119.150 118.175 0.975 19052 5272 1 19 . 1 1 530 530 ALA HA H 530 4.055 4.055 3.750 0.305 19052 5273 1 19 . 1 1 530 530 ALA C C 530 172.413 172.413 175.992 -3.579 19052 5274 1 19 . 1 1 530 530 ALA CA C 530 53.591 53.591 51.438 2.153 19052 5275 1 19 . 1 1 530 530 ALA CB C 530 19.102 19.102 18.720 0.382 19052 5276 1 19 . 1 1 530 530 ALA H H 530 8.161 8.161 7.560 0.601 19052 5277 1 19 . 1 1 531 531 TRP N N 531 115.703 115.703 115.659 0.044 19052 5278 1 19 . 1 1 531 531 TRP HA H 531 4.525 4.525 4.295 0.230 19052 5279 1 19 . 1 1 531 531 TRP C C 531 173.708 173.708 175.032 -1.324 19052 5280 1 19 . 1 1 531 531 TRP CA C 531 57.449 57.449 56.990 0.459 19052 5281 1 19 . 1 1 531 531 TRP CB C 531 30.079 30.079 26.318 3.761 19052 5282 1 19 . 1 1 531 531 TRP H H 531 7.758 7.758 8.024 -0.266 19052 5283 1 19 . 1 1 532 532 ILE N N 532 120.648 120.648 118.346 2.302 19052 5284 1 19 . 1 1 532 532 ILE HA H 532 3.814 3.814 4.820 -1.006 19052 5285 1 19 . 1 1 532 532 ILE CA C 532 63.978 63.978 58.785 5.193 19052 5286 1 19 . 1 1 532 532 ILE CB C 532 37.291 37.291 38.499 -1.208 19052 5287 1 19 . 1 1 532 532 ILE H H 532 7.515 7.515 8.006 -0.491 19052 5288 1 19 . 1 1 533 533 PRO HA H 533 4.199 4.199 4.218 -0.019 19052 5289 1 19 . 1 1 533 533 PRO C C 533 173.380 173.380 177.229 -3.849 19052 5290 1 19 . 1 1 533 533 PRO CA C 533 64.877 64.877 65.014 -0.137 19052 5291 1 19 . 1 1 533 533 PRO CB C 533 31.795 31.795 31.535 0.260 19052 5292 1 19 . 1 1 534 534 TYR N N 534 114.701 114.701 117.462 -2.761 19052 5293 1 19 . 1 1 534 534 TYR HA H 534 4.127 4.127 4.144 -0.017 19052 5294 1 19 . 1 1 534 534 TYR C C 534 174.356 174.356 176.555 -2.199 19052 5295 1 19 . 1 1 534 534 TYR CA C 534 60.153 60.153 60.272 -0.119 19052 5296 1 19 . 1 1 534 534 TYR CB C 534 38.665 38.665 38.173 0.492 19052 5297 1 19 . 1 1 534 534 TYR H H 534 7.558 7.558 8.117 -0.559 19052 5298 1 19 . 1 1 535 535 PHE N N 535 116.978 116.978 114.175 2.803 19052 5299 1 19 . 1 1 535 535 PHE HA H 535 4.381 4.381 4.759 -0.378 19052 5300 1 19 . 1 1 535 535 PHE C C 535 174.160 174.160 176.620 -2.460 19052 5301 1 19 . 1 1 535 535 PHE CA C 535 59.095 59.095 57.277 1.818 19052 5302 1 19 . 1 1 535 535 PHE CB C 535 40.607 40.607 40.030 0.577 19052 5303 1 19 . 1 1 535 535 PHE H H 535 8.003 8.003 7.897 0.106 19052 5304 1 19 . 1 1 536 536 GLY N N 536 107.091 107.091 111.311 -4.220 19052 5305 1 19 . 1 1 536 536 GLY CA C 536 47.335 47.335 47.191 0.143 19052 5306 1 19 . 1 1 536 536 GLY H H 536 8.130 8.130 8.967 -0.837 19052 5307 1 19 . 1 1 537 537 PRO HA H 537 4.244 4.244 4.706 -0.462 19052 5308 1 19 . 1 1 537 537 PRO C C 537 171.319 171.319 176.016 -4.697 19052 5309 1 19 . 1 1 537 537 PRO CA C 537 65.023 65.023 63.434 1.589 19052 5310 1 19 . 1 1 537 537 PRO CB C 537 31.842 31.842 30.945 0.897 19052 5311 1 19 . 1 1 538 538 ALA N N 538 120.335 120.335 119.069 1.266 19052 5312 1 19 . 1 1 538 538 ALA HA H 538 4.104 4.104 4.606 -0.502 19052 5313 1 19 . 1 1 538 538 ALA C C 538 171.431 171.431 176.326 -4.895 19052 5314 1 19 . 1 1 538 538 ALA CA C 538 54.534 54.534 52.088 2.446 19052 5315 1 19 . 1 1 538 538 ALA CB C 538 18.866 18.866 20.563 -1.697 19052 5316 1 19 . 1 1 538 538 ALA H H 538 7.913 7.913 7.976 -0.063 19052 5317 1 19 . 1 1 539 539 ALA N N 539 120.016 120.016 119.497 0.519 19052 5318 1 19 . 1 1 539 539 ALA HA H 539 3.916 3.916 4.948 -1.032 19052 5319 1 19 . 1 1 539 539 ALA C C 539 171.593 171.593 176.756 -5.163 19052 5320 1 19 . 1 1 539 539 ALA CA C 539 54.669 54.669 52.379 2.290 19052 5321 1 19 . 1 1 539 539 ALA CB C 539 18.929 18.929 20.907 -1.978 19052 5322 1 19 . 1 1 539 539 ALA H H 539 8.105 8.105 7.541 0.564 19052 5323 1 19 . 1 1 540 540 GLU N N 540 116.288 116.288 120.080 -3.792 19052 5324 1 19 . 1 1 540 540 GLU HA H 540 3.922 3.922 4.330 -0.408 19052 5325 1 19 . 1 1 540 540 GLU C C 540 171.649 171.649 177.370 -5.721 19052 5326 1 19 . 1 1 540 540 GLU CA C 540 59.055 59.055 55.818 3.237 19052 5327 1 19 . 1 1 540 540 GLU CB C 540 29.335 29.335 27.769 1.566 19052 5328 1 19 . 1 1 540 540 GLU H H 540 8.081 8.081 8.677 -0.596 19052 5329 1 19 . 1 1 541 541 GLY N N 541 107.262 107.262 108.816 -1.554 19052 5330 1 19 . 1 1 541 541 GLY C C 541 174.868 174.868 175.141 -0.273 19052 5331 1 19 . 1 1 541 541 GLY CA C 541 46.506 46.506 45.743 0.763 19052 5332 1 19 . 1 1 541 541 GLY H H 541 8.063 8.063 9.125 -1.062 19052 5333 1 19 . 1 1 542 542 ILE N N 542 120.614 120.614 122.733 -2.119 19052 5334 1 19 . 1 1 542 542 ILE HA H 542 3.760 3.760 3.521 0.239 19052 5335 1 19 . 1 1 542 542 ILE C C 542 173.000 173.000 176.503 -3.503 19052 5336 1 19 . 1 1 542 542 ILE CA C 542 64.103 64.103 64.596 -0.493 19052 5337 1 19 . 1 1 542 542 ILE CB C 542 38.394 38.394 37.763 0.631 19052 5338 1 19 . 1 1 542 542 ILE H H 542 7.843 7.843 8.281 -0.438 19052 5339 1 19 . 1 1 543 543 TYR N N 543 120.210 120.210 118.037 2.173 19052 5340 1 19 . 1 1 543 543 TYR HA H 543 4.178 4.178 4.269 -0.091 19052 5341 1 19 . 1 1 543 543 TYR C C 543 173.268 173.268 176.698 -3.430 19052 5342 1 19 . 1 1 543 543 TYR CA C 543 60.547 60.547 59.283 1.264 19052 5343 1 19 . 1 1 543 543 TYR CB C 543 38.923 38.923 35.645 3.278 19052 5344 1 19 . 1 1 543 543 TYR H H 543 8.027 8.027 8.622 -0.595 19052 5345 1 19 . 1 1 544 544 ALA N N 544 121.025 121.025 121.072 -0.047 19052 5346 1 19 . 1 1 544 544 ALA HA H 544 3.953 3.953 3.674 0.279 19052 5347 1 19 . 1 1 544 544 ALA C C 544 171.072 171.072 179.117 -8.045 19052 5348 1 19 . 1 1 544 544 ALA CA C 544 54.440 54.440 53.753 0.687 19052 5349 1 19 . 1 1 544 544 ALA CB C 544 19.028 19.028 17.645 1.383 19052 5350 1 19 . 1 1 544 544 ALA H H 544 8.079 8.079 6.974 1.105 19052 5351 1 19 . 1 1 545 545 GLU N N 545 116.132 116.132 119.240 -3.108 19052 5352 1 19 . 1 1 545 545 GLU HA H 545 4.096 4.096 4.041 0.055 19052 5353 1 19 . 1 1 545 545 GLU C C 545 172.525 172.525 178.393 -5.868 19052 5354 1 19 . 1 1 545 545 GLU CA C 545 57.355 57.355 57.689 -0.334 19052 5355 1 19 . 1 1 545 545 GLU CB C 545 29.517 29.517 29.810 -0.293 19052 5356 1 19 . 1 1 545 545 GLU H H 545 7.880 7.880 8.267 -0.387 19052 5357 1 19 . 1 1 546 546 GLY N N 546 107.283 107.283 108.277 -0.994 19052 5358 1 19 . 1 1 546 546 GLY C C 546 175.638 175.638 174.402 1.236 19052 5359 1 19 . 1 1 546 546 GLY CA C 546 46.241 46.241 46.539 -0.298 19052 5360 1 19 . 1 1 546 546 GLY H H 546 8.028 8.028 8.357 -0.329 19052 5361 1 19 . 1 1 547 547 LEU N N 547 119.944 119.944 112.331 7.613 19052 5362 1 19 . 1 1 547 547 LEU HA H 547 4.127 4.127 4.857 -0.730 19052 5363 1 19 . 1 1 547 547 LEU C C 547 172.747 172.747 176.144 -3.397 19052 5364 1 19 . 1 1 547 547 LEU CA C 547 56.418 56.418 55.409 1.009 19052 5365 1 19 . 1 1 547 547 LEU CB C 547 42.717 42.717 43.638 -0.921 19052 5366 1 19 . 1 1 547 547 LEU H H 547 7.865 7.865 8.088 -0.223 19052 5367 1 19 . 1 1 548 548 MET N N 548 115.796 115.796 115.740 0.056 19052 5368 1 19 . 1 1 548 548 MET HA H 548 4.231 4.231 4.476 -0.245 19052 5369 1 19 . 1 1 548 548 MET C C 548 173.854 173.854 175.964 -2.110 19052 5370 1 19 . 1 1 548 548 MET CA C 548 55.914 55.914 56.169 -0.255 19052 5371 1 19 . 1 1 548 548 MET CB C 548 32.474 32.474 33.897 -1.423 19052 5372 1 19 . 1 1 548 548 MET H H 548 7.958 7.958 8.407 -0.449 19052 5373 1 19 . 1 1 549 549 HIS N N 549 116.928 116.928 119.435 -2.507 19052 5374 1 19 . 1 1 549 549 HIS HA H 549 4.572 4.572 4.428 0.144 19052 5375 1 19 . 1 1 549 549 HIS C C 549 175.817 175.817 176.608 -0.791 19052 5376 1 19 . 1 1 549 549 HIS CA C 549 55.746 55.746 58.698 -2.952 19052 5377 1 19 . 1 1 549 549 HIS CB C 549 28.918 28.918 29.090 -0.172 19052 5378 1 19 . 1 1 549 549 HIS H H 549 8.059 8.059 8.518 -0.459 19052 5379 1 19 . 1 1 550 550 ASN N N 550 118.413 118.413 115.263 3.150 19052 5380 1 19 . 1 1 550 550 ASN HA H 550 4.554 4.554 4.674 -0.120 19052 5381 1 19 . 1 1 550 550 ASN C C 550 174.738 174.738 175.491 -0.753 19052 5382 1 19 . 1 1 550 550 ASN CA C 550 53.874 53.874 53.721 0.153 19052 5383 1 19 . 1 1 550 550 ASN CB C 550 38.883 38.883 38.587 0.296 19052 5384 1 19 . 1 1 550 550 ASN H H 550 8.222 8.222 8.617 -0.395 19052 5385 1 19 . 1 1 551 551 GLN N N 551 119.844 119.844 118.656 1.188 19052 5386 1 19 . 1 1 551 551 GLN HA H 551 4.217 4.217 4.133 0.084 19052 5387 1 19 . 1 1 551 551 GLN C C 551 173.745 173.745 175.393 -1.648 19052 5388 1 19 . 1 1 551 551 GLN CA C 551 56.477 56.477 56.863 -0.386 19052 5389 1 19 . 1 1 551 551 GLN CB C 551 29.046 29.046 29.353 -0.307 19052 5390 1 19 . 1 1 551 551 GLN H H 551 8.336 8.336 7.614 0.722 19052 5391 1 19 . 1 1 552 552 ASP N N 552 119.497 119.497 117.917 1.580 19052 5392 1 19 . 1 1 552 552 ASP HA H 552 4.434 4.434 4.696 -0.262 19052 5393 1 19 . 1 1 552 552 ASP C C 552 173.446 173.446 176.599 -3.153 19052 5394 1 19 . 1 1 552 552 ASP CA C 552 55.146 55.146 54.156 0.990 19052 5395 1 19 . 1 1 552 552 ASP CB C 552 41.174 41.174 42.610 -1.436 19052 5396 1 19 . 1 1 552 552 ASP H H 552 8.192 8.192 8.518 -0.326 19052 5397 1 19 . 1 1 553 553 GLY N N 553 107.920 107.920 106.804 1.116 19052 5398 1 19 . 1 1 553 553 GLY C C 553 175.627 175.627 173.173 2.454 19052 5399 1 19 . 1 1 553 553 GLY CA C 553 45.791 45.791 45.025 0.766 19052 5400 1 19 . 1 1 553 553 GLY H H 553 8.114 8.114 7.774 0.340 19052 5401 1 19 . 1 1 554 554 LEU N N 554 121.436 121.436 118.698 2.738 19052 5402 1 19 . 1 1 554 554 LEU HA H 554 4.150 4.150 4.435 -0.285 19052 5403 1 19 . 1 1 554 554 LEU C C 554 172.742 172.742 174.882 -2.140 19052 5404 1 19 . 1 1 554 554 LEU CA C 554 56.520 56.520 55.251 1.269 19052 5405 1 19 . 1 1 554 554 LEU CB C 554 42.857 42.857 41.148 1.709 19052 5406 1 19 . 1 1 554 554 LEU H H 554 8.055 8.055 7.709 0.346 19052 5407 1 19 . 1 1 555 555 ILE N N 555 117.147 117.147 123.261 -6.114 19052 5408 1 19 . 1 1 555 555 ILE HA H 555 3.947 3.947 4.533 -0.586 19052 5409 1 19 . 1 1 555 555 ILE C C 555 174.354 174.354 176.501 -2.147 19052 5410 1 19 . 1 1 555 555 ILE CA C 555 62.214 62.214 58.244 3.970 19052 5411 1 19 . 1 1 555 555 ILE CB C 555 38.447 38.447 38.652 -0.205 19052 5412 1 19 . 1 1 555 555 ILE H H 555 7.946 7.946 7.937 0.009 19052 5413 1 19 . 1 1 556 556 CYS N N 556 119.354 119.354 124.361 -5.007 19052 5414 1 19 . 1 1 556 556 CYS HA H 556 4.439 4.439 4.299 0.140 19052 5415 1 19 . 1 1 556 556 CYS C C 556 174.864 174.864 176.374 -1.510 19052 5416 1 19 . 1 1 556 556 CYS CA C 556 55.915 55.915 60.023 -4.107 19052 5417 1 19 . 1 1 556 556 CYS CB C 556 40.902 40.902 27.473 13.430 19052 5418 1 19 . 1 1 556 556 CYS H H 556 8.193 8.193 8.766 -0.573 19052 5419 1 19 . 1 1 557 557 GLY N N 557 108.370 108.370 107.838 0.532 19052 5420 1 19 . 1 1 557 557 GLY C C 557 176.365 176.365 174.266 2.099 19052 5421 1 19 . 1 1 557 557 GLY CA C 557 45.923 45.923 46.649 -0.726 19052 5422 1 19 . 1 1 557 557 GLY H H 557 8.112 8.112 8.508 -0.396 19052 5423 1 19 . 1 1 558 558 LEU N N 558 120.302 120.302 113.948 6.354 19052 5424 1 19 . 1 1 558 558 LEU HA H 558 4.209 4.209 4.708 -0.499 19052 5425 1 19 . 1 1 558 558 LEU C C 558 173.387 173.387 175.323 -1.936 19052 5426 1 19 . 1 1 558 558 LEU CA C 558 55.568 55.568 55.375 0.193 19052 5427 1 19 . 1 1 558 558 LEU CB C 558 42.943 42.943 43.553 -0.611 19052 5428 1 19 . 1 1 558 558 LEU H H 558 7.816 7.816 7.811 0.005 19052 5429 1 19 . 1 1 559 559 ARG N N 559 119.826 119.826 119.797 0.029 19052 5430 1 19 . 1 1 559 559 ARG HA H 559 4.246 4.246 4.328 -0.082 19052 5431 1 19 . 1 1 559 559 ARG C C 559 175.047 175.047 174.400 0.647 19052 5432 1 19 . 1 1 559 559 ARG CA C 559 55.858 55.858 56.513 -0.654 19052 5433 1 19 . 1 1 559 559 ARG CB C 559 30.806 30.806 31.541 -0.736 19052 5434 1 19 . 1 1 559 559 ARG H H 559 7.996 7.996 7.927 0.069 19052 5435 1 20 . 1 1 508 508 GLN N N 508 120.688 120.688 121.217 -0.529 19052 5436 1 20 . 1 1 508 508 GLN HA H 508 4.590 4.590 4.390 0.200 19052 5437 1 20 . 1 1 508 508 GLN CA C 508 53.781 53.781 54.654 -0.873 19052 5438 1 20 . 1 1 508 508 GLN CB C 508 29.074 29.074 28.561 0.513 19052 5439 1 20 . 1 1 508 508 GLN H H 508 8.558 8.558 8.328 0.230 19052 5440 1 20 . 1 1 509 509 PRO HA H 509 4.322 4.322 4.557 -0.235 19052 5441 1 20 . 1 1 509 509 PRO C C 509 173.716 173.716 175.442 -1.726 19052 5442 1 20 . 1 1 509 509 PRO CA C 509 63.284 63.284 62.283 1.001 19052 5443 1 20 . 1 1 509 509 PRO CB C 509 32.273 32.273 31.976 0.297 19052 5444 1 20 . 1 1 510 510 LYS N N 510 121.212 121.212 116.993 4.219 19052 5445 1 20 . 1 1 510 510 LYS HA H 510 4.205 4.205 3.989 0.216 19052 5446 1 20 . 1 1 510 510 LYS C C 510 173.988 173.988 175.115 -1.127 19052 5447 1 20 . 1 1 510 510 LYS CA C 510 56.301 56.301 56.772 -0.471 19052 5448 1 20 . 1 1 510 510 LYS CB C 510 33.419 33.419 30.791 2.628 19052 5449 1 20 . 1 1 510 510 LYS H H 510 8.322 8.322 8.202 0.120 19052 5450 1 20 . 1 1 511 511 CYS N N 511 119.342 119.342 115.094 4.248 19052 5451 1 20 . 1 1 511 511 CYS HA H 511 4.558 4.558 4.586 -0.028 19052 5452 1 20 . 1 1 511 511 CYS C C 511 176.901 176.901 174.090 2.811 19052 5453 1 20 . 1 1 511 511 CYS CA C 511 55.516 55.516 57.374 -1.858 19052 5454 1 20 . 1 1 511 511 CYS CB C 511 41.836 41.836 27.153 14.683 19052 5455 1 20 . 1 1 511 511 CYS H H 511 8.269 8.269 8.288 -0.019 19052 5456 1 20 . 1 1 512 512 ASN N N 512 122.311 122.311 120.918 1.393 19052 5457 1 20 . 1 1 512 512 ASN HA H 512 4.890 4.890 5.005 -0.115 19052 5458 1 20 . 1 1 512 512 ASN CA C 512 51.259 51.259 52.387 -1.128 19052 5459 1 20 . 1 1 512 512 ASN CB C 512 39.388 39.388 38.869 0.519 19052 5460 1 20 . 1 1 512 512 ASN H H 512 8.605 8.605 8.026 0.579 19052 5461 1 20 . 1 1 513 513 PRO HA H 513 4.295 4.295 4.501 -0.206 19052 5462 1 20 . 1 1 513 513 PRO C C 513 173.951 173.951 176.236 -2.285 19052 5463 1 20 . 1 1 513 513 PRO CA C 513 63.657 63.657 63.609 0.048 19052 5464 1 20 . 1 1 513 513 PRO CB C 513 32.188 32.188 32.836 -0.648 19052 5465 1 20 . 1 1 514 514 ASN N N 514 117.512 117.512 115.203 2.309 19052 5466 1 20 . 1 1 514 514 ASN HA H 514 4.539 4.539 4.701 -0.162 19052 5467 1 20 . 1 1 514 514 ASN C C 514 175.348 175.348 174.042 1.306 19052 5468 1 20 . 1 1 514 514 ASN CA C 514 53.557 53.557 53.008 0.549 19052 5469 1 20 . 1 1 514 514 ASN CB C 514 39.195 39.195 40.316 -1.121 19052 5470 1 20 . 1 1 514 514 ASN H H 514 8.288 8.288 8.101 0.187 19052 5471 1 20 . 1 1 515 515 LEU N N 515 121.066 121.066 115.678 5.388 19052 5472 1 20 . 1 1 515 515 LEU HA H 515 4.157 4.157 3.801 0.356 19052 5473 1 20 . 1 1 515 515 LEU C C 515 173.686 173.686 175.133 -1.447 19052 5474 1 20 . 1 1 515 515 LEU CA C 515 55.344 55.344 55.660 -0.316 19052 5475 1 20 . 1 1 515 515 LEU CB C 515 42.525 42.525 39.713 2.812 19052 5476 1 20 . 1 1 515 515 LEU H H 515 7.773 7.773 8.230 -0.457 19052 5477 1 20 . 1 1 516 516 HIS N N 516 117.512 117.512 115.257 2.255 19052 5478 1 20 . 1 1 516 516 HIS HA H 516 4.438 4.438 4.642 -0.204 19052 5479 1 20 . 1 1 516 516 HIS C C 516 175.736 175.736 175.907 -0.171 19052 5480 1 20 . 1 1 516 516 HIS CA C 516 55.806 55.806 56.422 -0.616 19052 5481 1 20 . 1 1 516 516 HIS CB C 516 28.903 28.903 30.651 -1.748 19052 5482 1 20 . 1 1 516 516 HIS H H 516 8.109 8.109 8.402 -0.293 19052 5483 1 20 . 1 1 517 517 TYR N N 517 120.068 120.068 116.911 3.157 19052 5484 1 20 . 1 1 517 517 TYR HA H 517 4.206 4.206 4.412 -0.206 19052 5485 1 20 . 1 1 517 517 TYR C C 517 174.847 174.847 175.474 -0.627 19052 5486 1 20 . 1 1 517 517 TYR CA C 517 59.252 59.252 57.068 2.184 19052 5487 1 20 . 1 1 517 517 TYR CB C 517 39.066 39.066 37.202 1.864 19052 5488 1 20 . 1 1 517 517 TYR H H 517 8.070 8.070 7.612 0.458 19052 5489 1 20 . 1 1 518 518 TRP N N 518 118.503 118.503 122.291 -3.788 19052 5490 1 20 . 1 1 518 518 TRP HA H 518 4.549 4.549 4.743 -0.194 19052 5491 1 20 . 1 1 518 518 TRP C C 518 174.443 174.443 176.436 -1.993 19052 5492 1 20 . 1 1 518 518 TRP CA C 518 57.822 57.822 56.032 1.790 19052 5493 1 20 . 1 1 518 518 TRP CB C 518 29.912 29.912 31.230 -1.318 19052 5494 1 20 . 1 1 518 518 TRP H H 518 7.641 7.641 7.222 0.419 19052 5495 1 20 . 1 1 519 519 THR N N 519 112.242 112.242 120.006 -7.764 19052 5496 1 20 . 1 1 519 519 THR HA H 519 4.340 4.340 3.760 0.580 19052 5497 1 20 . 1 1 519 519 THR C C 519 175.579 175.579 174.630 0.949 19052 5498 1 20 . 1 1 519 519 THR CA C 519 61.791 61.791 65.248 -3.457 19052 5499 1 20 . 1 1 519 519 THR CB C 519 70.049 70.049 68.866 1.183 19052 5500 1 20 . 1 1 519 519 THR H H 519 7.887 7.887 8.464 -0.577 19052 5501 1 20 . 1 1 520 520 THR N N 520 114.383 114.383 108.055 6.328 19052 5502 1 20 . 1 1 520 520 THR HA H 520 4.245 4.245 4.296 -0.051 19052 5503 1 20 . 1 1 520 520 THR C C 520 175.402 175.402 172.573 2.829 19052 5504 1 20 . 1 1 520 520 THR CA C 520 62.140 62.140 62.104 0.036 19052 5505 1 20 . 1 1 520 520 THR CB C 520 69.994 69.994 68.925 1.069 19052 5506 1 20 . 1 1 520 520 THR H H 520 7.936 7.936 7.544 0.392 19052 5507 1 20 . 1 1 521 521 GLN N N 521 121.482 121.482 122.119 -0.637 19052 5508 1 20 . 1 1 521 521 GLN HA H 521 4.167 4.167 4.165 0.002 19052 5509 1 20 . 1 1 521 521 GLN C C 521 174.280 174.280 175.135 -0.855 19052 5510 1 20 . 1 1 521 521 GLN CA C 521 56.569 56.569 56.586 -0.017 19052 5511 1 20 . 1 1 521 521 GLN CB C 521 29.357 29.357 29.261 0.096 19052 5512 1 20 . 1 1 521 521 GLN H H 521 8.238 8.238 7.971 0.267 19052 5513 1 20 . 1 1 522 522 ASP N N 522 120.331 120.331 121.970 -1.639 19052 5514 1 20 . 1 1 522 522 ASP HA H 522 4.436 4.436 4.360 0.076 19052 5515 1 20 . 1 1 522 522 ASP C C 522 173.622 173.622 176.642 -3.020 19052 5516 1 20 . 1 1 522 522 ASP CA C 522 55.067 55.067 55.387 -0.320 19052 5517 1 20 . 1 1 522 522 ASP CB C 522 41.079 41.079 39.500 1.579 19052 5518 1 20 . 1 1 522 522 ASP H H 522 8.151 8.151 8.710 -0.559 19052 5519 1 20 . 1 1 523 523 GLU N N 523 120.580 120.580 123.412 -2.832 19052 5520 1 20 . 1 1 523 523 GLU HA H 523 4.086 4.086 4.185 -0.099 19052 5521 1 20 . 1 1 523 523 GLU C C 523 173.037 173.037 176.341 -3.304 19052 5522 1 20 . 1 1 523 523 GLU CA C 523 57.580 57.580 55.109 2.471 19052 5523 1 20 . 1 1 523 523 GLU CB C 523 29.542 29.542 27.234 2.308 19052 5524 1 20 . 1 1 523 523 GLU H H 523 8.261 8.261 8.123 0.138 19052 5525 1 20 . 1 1 524 524 GLY N N 524 108.383 108.383 108.126 0.257 19052 5526 1 20 . 1 1 524 524 GLY C C 524 175.981 175.981 174.329 1.652 19052 5527 1 20 . 1 1 524 524 GLY CA C 524 45.936 45.936 45.068 0.868 19052 5528 1 20 . 1 1 524 524 GLY H H 524 8.287 8.287 7.846 0.441 19052 5529 1 20 . 1 1 525 525 ALA N N 525 122.951 122.951 124.055 -1.104 19052 5530 1 20 . 1 1 525 525 ALA HA H 525 4.150 4.150 4.321 -0.171 19052 5531 1 20 . 1 1 525 525 ALA C C 525 172.507 172.507 177.833 -5.326 19052 5532 1 20 . 1 1 525 525 ALA CA C 525 53.068 53.068 51.440 1.629 19052 5533 1 20 . 1 1 525 525 ALA CB C 525 19.406 19.406 16.883 2.523 19052 5534 1 20 . 1 1 525 525 ALA H H 525 7.846 7.846 8.044 -0.198 19052 5535 1 20 . 1 1 526 526 ALA N N 526 122.022 122.022 121.565 0.457 19052 5536 1 20 . 1 1 526 526 ALA HA H 526 4.181 4.181 3.842 0.339 19052 5537 1 20 . 1 1 526 526 ALA C C 526 172.070 172.070 176.397 -4.327 19052 5538 1 20 . 1 1 526 526 ALA CA C 526 53.158 53.158 52.929 0.229 19052 5539 1 20 . 1 1 526 526 ALA CB C 526 19.271 19.271 17.958 1.313 19052 5540 1 20 . 1 1 526 526 ALA H H 526 8.014 8.014 8.416 -0.402 19052 5541 1 20 . 1 1 527 527 ILE N N 527 118.520 118.520 119.458 -0.938 19052 5542 1 20 . 1 1 527 527 ILE HA H 527 3.887 3.887 4.073 -0.186 19052 5543 1 20 . 1 1 527 527 ILE C C 527 173.664 173.664 176.640 -2.976 19052 5544 1 20 . 1 1 527 527 ILE CA C 527 62.221 62.221 61.861 0.360 19052 5545 1 20 . 1 1 527 527 ILE CB C 527 38.735 38.735 37.893 0.842 19052 5546 1 20 . 1 1 527 527 ILE H H 527 7.907 7.907 8.047 -0.140 19052 5547 1 20 . 1 1 528 528 GLY N N 528 109.901 109.901 109.134 0.767 19052 5548 1 20 . 1 1 528 528 GLY C C 528 175.853 175.853 174.597 1.256 19052 5549 1 20 . 1 1 528 528 GLY CA C 528 46.143 46.143 46.115 0.028 19052 5550 1 20 . 1 1 528 528 GLY H H 528 8.251 8.251 8.264 -0.013 19052 5551 1 20 . 1 1 529 529 ALA N N 529 122.244 122.244 121.245 0.999 19052 5552 1 20 . 1 1 529 529 ALA HA H 529 3.997 3.997 3.888 0.109 19052 5553 1 20 . 1 1 529 529 ALA C C 529 171.603 171.603 176.490 -4.887 19052 5554 1 20 . 1 1 529 529 ALA CA C 529 54.036 54.036 53.019 1.017 19052 5555 1 20 . 1 1 529 529 ALA CB C 529 19.173 19.173 17.630 1.543 19052 5556 1 20 . 1 1 529 529 ALA H H 529 7.968 7.968 7.497 0.471 19052 5557 1 20 . 1 1 530 530 ALA N N 530 119.150 119.150 118.152 0.998 19052 5558 1 20 . 1 1 530 530 ALA HA H 530 4.055 4.055 3.736 0.319 19052 5559 1 20 . 1 1 530 530 ALA C C 530 172.413 172.413 175.971 -3.558 19052 5560 1 20 . 1 1 530 530 ALA CA C 530 53.591 53.591 51.424 2.167 19052 5561 1 20 . 1 1 530 530 ALA CB C 530 19.102 19.102 18.691 0.411 19052 5562 1 20 . 1 1 530 530 ALA H H 530 8.161 8.161 7.540 0.621 19052 5563 1 20 . 1 1 531 531 TRP N N 531 115.703 115.703 115.617 0.086 19052 5564 1 20 . 1 1 531 531 TRP HA H 531 4.525 4.525 4.233 0.292 19052 5565 1 20 . 1 1 531 531 TRP C C 531 173.708 173.708 174.914 -1.206 19052 5566 1 20 . 1 1 531 531 TRP CA C 531 57.449 57.449 56.930 0.519 19052 5567 1 20 . 1 1 531 531 TRP CB C 531 30.079 30.079 26.296 3.783 19052 5568 1 20 . 1 1 531 531 TRP H H 531 7.758 7.758 7.993 -0.235 19052 5569 1 20 . 1 1 532 532 ILE N N 532 120.648 120.648 118.158 2.490 19052 5570 1 20 . 1 1 532 532 ILE HA H 532 3.814 3.814 4.436 -0.622 19052 5571 1 20 . 1 1 532 532 ILE CA C 532 63.978 63.978 58.532 5.447 19052 5572 1 20 . 1 1 532 532 ILE CB C 532 37.291 37.291 38.398 -1.107 19052 5573 1 20 . 1 1 532 532 ILE H H 532 7.515 7.515 7.905 -0.390 19052 5574 1 20 . 1 1 533 533 PRO HA H 533 4.199 4.199 4.182 0.017 19052 5575 1 20 . 1 1 533 533 PRO C C 533 173.380 173.380 176.945 -3.565 19052 5576 1 20 . 1 1 533 533 PRO CA C 533 64.877 64.877 65.139 -0.262 19052 5577 1 20 . 1 1 533 533 PRO CB C 533 31.795 31.795 31.058 0.737 19052 5578 1 20 . 1 1 534 534 TYR N N 534 114.701 114.701 117.097 -2.396 19052 5579 1 20 . 1 1 534 534 TYR HA H 534 4.127 4.127 4.179 -0.052 19052 5580 1 20 . 1 1 534 534 TYR C C 534 174.356 174.356 176.819 -2.463 19052 5581 1 20 . 1 1 534 534 TYR CA C 534 60.153 60.153 59.877 0.276 19052 5582 1 20 . 1 1 534 534 TYR CB C 534 38.665 38.665 37.847 0.818 19052 5583 1 20 . 1 1 534 534 TYR H H 534 7.558 7.558 7.940 -0.382 19052 5584 1 20 . 1 1 535 535 PHE N N 535 116.978 116.978 112.554 4.424 19052 5585 1 20 . 1 1 535 535 PHE HA H 535 4.381 4.381 4.979 -0.598 19052 5586 1 20 . 1 1 535 535 PHE C C 535 174.160 174.160 176.090 -1.930 19052 5587 1 20 . 1 1 535 535 PHE CA C 535 59.095 59.095 55.481 3.614 19052 5588 1 20 . 1 1 535 535 PHE CB C 535 40.607 40.607 38.851 1.756 19052 5589 1 20 . 1 1 535 535 PHE H H 535 8.003 8.003 6.916 1.087 19052 5590 1 20 . 1 1 536 536 GLY N N 536 107.091 107.091 111.990 -4.899 19052 5591 1 20 . 1 1 536 536 GLY CA C 536 47.335 47.335 46.466 0.869 19052 5592 1 20 . 1 1 536 536 GLY H H 536 8.130 8.130 8.779 -0.649 19052 5593 1 20 . 1 1 537 537 PRO HA H 537 4.244 4.244 4.662 -0.418 19052 5594 1 20 . 1 1 537 537 PRO C C 537 171.319 171.319 175.898 -4.579 19052 5595 1 20 . 1 1 537 537 PRO CA C 537 65.023 65.023 63.382 1.641 19052 5596 1 20 . 1 1 537 537 PRO CB C 537 31.842 31.842 30.920 0.922 19052 5597 1 20 . 1 1 538 538 ALA N N 538 120.335 120.335 118.904 1.431 19052 5598 1 20 . 1 1 538 538 ALA HA H 538 4.104 4.104 4.588 -0.484 19052 5599 1 20 . 1 1 538 538 ALA C C 538 171.431 171.431 176.254 -4.823 19052 5600 1 20 . 1 1 538 538 ALA CA C 538 54.534 54.534 52.215 2.319 19052 5601 1 20 . 1 1 538 538 ALA CB C 538 18.866 18.866 20.631 -1.766 19052 5602 1 20 . 1 1 538 538 ALA H H 538 7.913 7.913 7.991 -0.078 19052 5603 1 20 . 1 1 539 539 ALA N N 539 120.016 120.016 119.427 0.589 19052 5604 1 20 . 1 1 539 539 ALA HA H 539 3.916 3.916 4.782 -0.866 19052 5605 1 20 . 1 1 539 539 ALA C C 539 171.593 171.593 177.039 -5.446 19052 5606 1 20 . 1 1 539 539 ALA CA C 539 54.669 54.669 52.815 1.854 19052 5607 1 20 . 1 1 539 539 ALA CB C 539 18.929 18.929 20.310 -1.381 19052 5608 1 20 . 1 1 539 539 ALA H H 539 8.105 8.105 7.523 0.582 19052 5609 1 20 . 1 1 540 540 GLU N N 540 116.288 116.288 120.874 -4.586 19052 5610 1 20 . 1 1 540 540 GLU HA H 540 3.922 3.922 4.379 -0.457 19052 5611 1 20 . 1 1 540 540 GLU C C 540 171.649 171.649 177.006 -5.357 19052 5612 1 20 . 1 1 540 540 GLU CA C 540 59.055 59.055 56.165 2.890 19052 5613 1 20 . 1 1 540 540 GLU CB C 540 29.335 29.335 27.778 1.557 19052 5614 1 20 . 1 1 540 540 GLU H H 540 8.081 8.081 8.510 -0.429 19052 5615 1 20 . 1 1 541 541 GLY N N 541 107.262 107.262 108.750 -1.488 19052 5616 1 20 . 1 1 541 541 GLY C C 541 174.868 174.868 174.963 -0.095 19052 5617 1 20 . 1 1 541 541 GLY CA C 541 46.506 46.506 45.602 0.904 19052 5618 1 20 . 1 1 541 541 GLY H H 541 8.063 8.063 9.108 -1.045 19052 5619 1 20 . 1 1 542 542 ILE N N 542 120.614 120.614 121.376 -0.762 19052 5620 1 20 . 1 1 542 542 ILE HA H 542 3.760 3.760 3.584 0.176 19052 5621 1 20 . 1 1 542 542 ILE C C 542 173.000 173.000 176.225 -3.225 19052 5622 1 20 . 1 1 542 542 ILE CA C 542 64.103 64.103 63.842 0.261 19052 5623 1 20 . 1 1 542 542 ILE CB C 542 38.394 38.394 37.809 0.585 19052 5624 1 20 . 1 1 542 542 ILE H H 542 7.843 7.843 8.059 -0.216 19052 5625 1 20 . 1 1 543 543 TYR N N 543 120.210 120.210 117.425 2.785 19052 5626 1 20 . 1 1 543 543 TYR HA H 543 4.178 4.178 4.114 0.064 19052 5627 1 20 . 1 1 543 543 TYR C C 543 173.268 173.268 176.768 -3.500 19052 5628 1 20 . 1 1 543 543 TYR CA C 543 60.547 60.547 59.449 1.098 19052 5629 1 20 . 1 1 543 543 TYR CB C 543 38.923 38.923 35.920 3.003 19052 5630 1 20 . 1 1 543 543 TYR H H 543 8.027 8.027 8.478 -0.451 19052 5631 1 20 . 1 1 544 544 ALA N N 544 121.025 121.025 121.148 -0.123 19052 5632 1 20 . 1 1 544 544 ALA HA H 544 3.953 3.953 3.740 0.213 19052 5633 1 20 . 1 1 544 544 ALA C C 544 171.072 171.072 179.164 -8.092 19052 5634 1 20 . 1 1 544 544 ALA CA C 544 54.440 54.440 53.853 0.587 19052 5635 1 20 . 1 1 544 544 ALA CB C 544 19.028 19.028 17.690 1.338 19052 5636 1 20 . 1 1 544 544 ALA H H 544 8.079 8.079 7.113 0.966 19052 5637 1 20 . 1 1 545 545 GLU N N 545 116.132 116.132 118.610 -2.478 19052 5638 1 20 . 1 1 545 545 GLU HA H 545 4.096 4.096 4.013 0.083 19052 5639 1 20 . 1 1 545 545 GLU C C 545 172.525 172.525 178.387 -5.862 19052 5640 1 20 . 1 1 545 545 GLU CA C 545 57.355 57.355 57.499 -0.144 19052 5641 1 20 . 1 1 545 545 GLU CB C 545 29.517 29.517 29.518 -0.001 19052 5642 1 20 . 1 1 545 545 GLU H H 545 7.880 7.880 8.278 -0.398 19052 5643 1 20 . 1 1 546 546 GLY N N 546 107.283 107.283 108.321 -1.038 19052 5644 1 20 . 1 1 546 546 GLY C C 546 175.638 175.638 174.366 1.272 19052 5645 1 20 . 1 1 546 546 GLY CA C 546 46.241 46.241 46.540 -0.299 19052 5646 1 20 . 1 1 546 546 GLY H H 546 8.028 8.028 8.352 -0.324 19052 5647 1 20 . 1 1 547 547 LEU N N 547 119.944 119.944 112.374 7.570 19052 5648 1 20 . 1 1 547 547 LEU HA H 547 4.127 4.127 4.850 -0.723 19052 5649 1 20 . 1 1 547 547 LEU C C 547 172.747 172.747 176.161 -3.414 19052 5650 1 20 . 1 1 547 547 LEU CA C 547 56.418 56.418 55.377 1.041 19052 5651 1 20 . 1 1 547 547 LEU CB C 547 42.717 42.717 43.671 -0.954 19052 5652 1 20 . 1 1 547 547 LEU H H 547 7.865 7.865 8.112 -0.247 19052 5653 1 20 . 1 1 548 548 MET N N 548 115.796 115.796 115.424 0.372 19052 5654 1 20 . 1 1 548 548 MET HA H 548 4.231 4.231 4.626 -0.395 19052 5655 1 20 . 1 1 548 548 MET C C 548 173.854 173.854 176.362 -2.508 19052 5656 1 20 . 1 1 548 548 MET CA C 548 55.914 55.914 56.368 -0.454 19052 5657 1 20 . 1 1 548 548 MET CB C 548 32.474 32.474 33.747 -1.273 19052 5658 1 20 . 1 1 548 548 MET H H 548 7.958 7.958 8.283 -0.325 19052 5659 1 20 . 1 1 549 549 HIS N N 549 116.928 116.928 119.090 -2.162 19052 5660 1 20 . 1 1 549 549 HIS HA H 549 4.572 4.572 4.719 -0.147 19052 5661 1 20 . 1 1 549 549 HIS C C 549 175.817 175.817 176.152 -0.335 19052 5662 1 20 . 1 1 549 549 HIS CA C 549 55.746 55.746 58.106 -2.360 19052 5663 1 20 . 1 1 549 549 HIS CB C 549 28.918 28.918 29.137 -0.219 19052 5664 1 20 . 1 1 549 549 HIS H H 549 8.059 8.059 8.619 -0.560 19052 5665 1 20 . 1 1 550 550 ASN N N 550 118.413 118.413 115.424 2.989 19052 5666 1 20 . 1 1 550 550 ASN HA H 550 4.554 4.554 4.633 -0.079 19052 5667 1 20 . 1 1 550 550 ASN C C 550 174.738 174.738 176.112 -1.374 19052 5668 1 20 . 1 1 550 550 ASN CA C 550 53.874 53.874 52.910 0.964 19052 5669 1 20 . 1 1 550 550 ASN CB C 550 38.883 38.883 37.677 1.206 19052 5670 1 20 . 1 1 550 550 ASN H H 550 8.222 8.222 8.657 -0.435 19052 5671 1 20 . 1 1 551 551 GLN N N 551 119.844 119.844 119.134 0.710 19052 5672 1 20 . 1 1 551 551 GLN HA H 551 4.217 4.217 4.153 0.064 19052 5673 1 20 . 1 1 551 551 GLN C C 551 173.745 173.745 175.531 -1.786 19052 5674 1 20 . 1 1 551 551 GLN CA C 551 56.477 56.477 57.080 -0.603 19052 5675 1 20 . 1 1 551 551 GLN CB C 551 29.046 29.046 29.282 -0.236 19052 5676 1 20 . 1 1 551 551 GLN H H 551 8.336 8.336 7.789 0.547 19052 5677 1 20 . 1 1 552 552 ASP N N 552 119.497 119.497 116.119 3.378 19052 5678 1 20 . 1 1 552 552 ASP HA H 552 4.434 4.434 4.749 -0.315 19052 5679 1 20 . 1 1 552 552 ASP C C 552 173.446 173.446 176.302 -2.856 19052 5680 1 20 . 1 1 552 552 ASP CA C 552 55.146 55.146 54.751 0.395 19052 5681 1 20 . 1 1 552 552 ASP CB C 552 41.174 41.174 43.557 -2.383 19052 5682 1 20 . 1 1 552 552 ASP H H 552 8.192 8.192 8.486 -0.294 19052 5683 1 20 . 1 1 553 553 GLY N N 553 107.920 107.920 107.742 0.178 19052 5684 1 20 . 1 1 553 553 GLY C C 553 175.627 175.627 174.676 0.951 19052 5685 1 20 . 1 1 553 553 GLY CA C 553 45.791 45.791 45.128 0.663 19052 5686 1 20 . 1 1 553 553 GLY H H 553 8.114 8.114 7.925 0.189 19052 5687 1 20 . 1 1 554 554 LEU N N 554 121.436 121.436 119.067 2.369 19052 5688 1 20 . 1 1 554 554 LEU HA H 554 4.150 4.150 4.173 -0.023 19052 5689 1 20 . 1 1 554 554 LEU C C 554 172.742 172.742 176.697 -3.955 19052 5690 1 20 . 1 1 554 554 LEU CA C 554 56.520 56.520 56.828 -0.308 19052 5691 1 20 . 1 1 554 554 LEU CB C 554 42.857 42.857 41.674 1.183 19052 5692 1 20 . 1 1 554 554 LEU H H 554 8.055 8.055 7.819 0.236 19052 5693 1 20 . 1 1 555 555 ILE N N 555 117.147 117.147 114.590 2.557 19052 5694 1 20 . 1 1 555 555 ILE HA H 555 3.947 3.947 3.943 0.004 19052 5695 1 20 . 1 1 555 555 ILE C C 555 174.354 174.354 176.877 -2.523 19052 5696 1 20 . 1 1 555 555 ILE CA C 555 62.214 62.214 61.458 0.756 19052 5697 1 20 . 1 1 555 555 ILE CB C 555 38.447 38.447 35.597 2.849 19052 5698 1 20 . 1 1 555 555 ILE H H 555 7.946 7.946 7.858 0.088 19052 5699 1 20 . 1 1 556 556 CYS N N 556 119.354 119.354 124.736 -5.382 19052 5700 1 20 . 1 1 556 556 CYS HA H 556 4.439 4.439 4.117 0.322 19052 5701 1 20 . 1 1 556 556 CYS C C 556 174.864 174.864 175.872 -1.008 19052 5702 1 20 . 1 1 556 556 CYS CA C 556 55.915 55.915 60.675 -4.760 19052 5703 1 20 . 1 1 556 556 CYS CB C 556 40.902 40.902 27.568 13.334 19052 5704 1 20 . 1 1 556 556 CYS H H 556 8.193 8.193 8.995 -0.802 19052 5705 1 20 . 1 1 557 557 GLY N N 557 108.370 108.370 107.249 1.121 19052 5706 1 20 . 1 1 557 557 GLY C C 557 176.365 176.365 173.906 2.459 19052 5707 1 20 . 1 1 557 557 GLY CA C 557 45.923 45.923 47.022 -1.099 19052 5708 1 20 . 1 1 557 557 GLY H H 557 8.112 8.112 8.578 -0.466 19052 5709 1 20 . 1 1 558 558 LEU N N 558 120.302 120.302 113.817 6.485 19052 5710 1 20 . 1 1 558 558 LEU HA H 558 4.209 4.209 4.393 -0.184 19052 5711 1 20 . 1 1 558 558 LEU C C 558 173.387 173.387 175.473 -2.086 19052 5712 1 20 . 1 1 558 558 LEU CA C 558 55.568 55.568 54.790 0.778 19052 5713 1 20 . 1 1 558 558 LEU CB C 558 42.943 42.943 42.345 0.598 19052 5714 1 20 . 1 1 558 558 LEU H H 558 7.816 7.816 7.446 0.370 19052 5715 1 20 . 1 1 559 559 ARG N N 559 119.826 119.826 120.552 -0.726 19052 5716 1 20 . 1 1 559 559 ARG HA H 559 4.246 4.246 4.001 0.245 19052 5717 1 20 . 1 1 559 559 ARG C C 559 175.047 175.047 175.178 -0.131 19052 5718 1 20 . 1 1 559 559 ARG CA C 559 55.858 55.858 57.253 -1.395 19052 5719 1 20 . 1 1 559 559 ARG CB C 559 30.806 30.806 29.409 1.397 19052 5720 1 20 . 1 1 559 559 ARG H H 559 7.996 7.996 7.915 0.081 19052 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 48 3.314 -0.605 3.292 19052 2 1 1 "Average Difference" HA 59 0.284 0.025 0.286 19052 3 1 1 "Average Difference" C 48 3.116 1.956 2.452 19052 4 1 1 "Average Difference" CA 52 1.687 -0.406 1.653 19052 5 1 1 "Average Difference" CB 45 3.244 -1.170 3.060 19052 6 1 1 "Average Difference" HN 48 0.467 0.050 0.469 19052 7 1 2 "Average Difference" N 48 3.048 -0.411 3.052 19052 8 1 2 "Average Difference" HA 59 0.277 0.056 0.273 19052 9 1 2 "Average Difference" C 48 3.159 1.986 2.482 19052 10 1 2 "Average Difference" CA 52 1.687 -0.412 1.652 19052 11 1 2 "Average Difference" CB 45 3.368 -1.225 3.173 19052 12 1 2 "Average Difference" HN 48 0.483 0.039 0.487 19052 13 1 3 "Average Difference" N 48 2.873 -0.623 2.835 19052 14 1 3 "Average Difference" HA 59 0.288 0.021 0.290 19052 15 1 3 "Average Difference" C 48 3.139 2.048 2.405 19052 16 1 3 "Average Difference" CA 52 1.539 -0.404 1.500 19052 17 1 3 "Average Difference" CB 45 3.256 -1.254 3.039 19052 18 1 3 "Average Difference" HN 48 0.446 0.029 0.450 19052 19 1 4 "Average Difference" N 48 3.233 -0.580 3.214 19052 20 1 4 "Average Difference" HA 59 0.270 0.031 0.271 19052 21 1 4 "Average Difference" C 48 3.183 1.995 2.507 19052 22 1 4 "Average Difference" CA 52 1.703 -0.453 1.657 19052 23 1 4 "Average Difference" CB 45 3.246 -1.259 3.025 19052 24 1 4 "Average Difference" HN 48 0.479 0.062 0.480 19052 25 1 5 "Average Difference" N 48 2.899 -0.646 2.856 19052 26 1 5 "Average Difference" HA 59 0.291 0.033 0.292 19052 27 1 5 "Average Difference" C 48 3.145 2.014 2.441 19052 28 1 5 "Average Difference" CA 52 1.633 -0.500 1.569 19052 29 1 5 "Average Difference" CB 45 3.314 -1.211 3.119 19052 30 1 5 "Average Difference" HN 48 0.455 0.063 0.455 19052 31 1 6 "Average Difference" N 48 2.934 -0.922 2.815 19052 32 1 6 "Average Difference" HA 59 0.276 0.045 0.275 19052 33 1 6 "Average Difference" C 48 3.150 1.969 2.485 19052 34 1 6 "Average Difference" CA 52 1.509 -0.472 1.447 19052 35 1 6 "Average Difference" CB 45 3.243 -1.224 3.038 19052 36 1 6 "Average Difference" HN 48 0.480 0.053 0.482 19052 37 1 7 "Average Difference" N 48 3.125 -0.684 3.082 19052 38 1 7 "Average Difference" HA 59 0.264 0.013 0.265 19052 39 1 7 "Average Difference" C 48 3.136 2.005 2.437 19052 40 1 7 "Average Difference" CA 52 1.704 -0.410 1.670 19052 41 1 7 "Average Difference" CB 45 3.298 -1.303 3.064 19052 42 1 7 "Average Difference" HN 48 0.458 0.035 0.462 19052 43 1 8 "Average Difference" N 48 3.115 -0.608 3.087 19052 44 1 8 "Average Difference" HA 59 0.280 0.021 0.281 19052 45 1 8 "Average Difference" C 48 3.126 1.927 2.487 19052 46 1 8 "Average Difference" CA 52 1.714 -0.420 1.678 19052 47 1 8 "Average Difference" CB 45 3.282 -1.206 3.087 19052 48 1 8 "Average Difference" HN 48 0.462 0.041 0.465 19052 49 1 9 "Average Difference" N 48 3.370 -0.526 3.364 19052 50 1 9 "Average Difference" HA 59 0.283 0.029 0.284 19052 51 1 9 "Average Difference" C 48 3.126 2.070 2.367 19052 52 1 9 "Average Difference" CA 52 1.653 -0.395 1.621 19052 53 1 9 "Average Difference" CB 45 3.138 -1.229 2.920 19052 54 1 9 "Average Difference" HN 48 0.479 0.083 0.477 19052 55 1 10 "Average Difference" N 48 3.133 -0.807 3.060 19052 56 1 10 "Average Difference" HA 59 0.257 0.026 0.258 19052 57 1 10 "Average Difference" C 48 3.157 2.007 2.463 19052 58 1 10 "Average Difference" CA 52 1.631 -0.397 1.597 19052 59 1 10 "Average Difference" CB 45 3.301 -1.243 3.093 19052 60 1 10 "Average Difference" HN 48 0.448 0.014 0.452 19052 61 1 11 "Average Difference" N 48 3.184 -0.555 3.168 19052 62 1 11 "Average Difference" HA 59 0.271 0.025 0.272 19052 63 1 11 "Average Difference" C 48 3.113 1.929 2.469 19052 64 1 11 "Average Difference" CA 52 1.621 -0.459 1.570 19052 65 1 11 "Average Difference" CB 45 3.320 -1.180 3.138 19052 66 1 11 "Average Difference" HN 48 0.477 0.042 0.480 19052 67 1 12 "Average Difference" N 48 3.199 -0.648 3.166 19052 68 1 12 "Average Difference" HA 59 0.295 0.030 0.297 19052 69 1 12 "Average Difference" C 48 3.094 1.962 2.418 19052 70 1 12 "Average Difference" CA 52 1.596 -0.440 1.549 19052 71 1 12 "Average Difference" CB 45 3.318 -1.118 3.159 19052 72 1 12 "Average Difference" HN 48 0.457 0.087 0.454 19052 73 1 13 "Average Difference" N 48 2.912 -0.399 2.915 19052 74 1 13 "Average Difference" HA 59 0.284 0.022 0.286 19052 75 1 13 "Average Difference" C 48 3.160 1.941 2.521 19052 76 1 13 "Average Difference" CA 52 1.525 -0.371 1.494 19052 77 1 13 "Average Difference" CB 45 3.352 -1.133 3.190 19052 78 1 13 "Average Difference" HN 48 0.494 0.075 0.494 19052 79 1 14 "Average Difference" N 48 3.309 -0.439 3.314 19052 80 1 14 "Average Difference" HA 59 0.281 0.031 0.282 19052 81 1 14 "Average Difference" C 48 3.152 2.011 2.452 19052 82 1 14 "Average Difference" CA 52 1.701 -0.467 1.651 19052 83 1 14 "Average Difference" CB 45 3.357 -1.291 3.134 19052 84 1 14 "Average Difference" HN 48 0.452 0.028 0.456 19052 85 1 15 "Average Difference" N 48 3.200 -0.522 3.190 19052 86 1 15 "Average Difference" HA 59 0.287 0.036 0.287 19052 87 1 15 "Average Difference" C 48 3.178 1.975 2.515 19052 88 1 15 "Average Difference" CA 52 1.650 -0.393 1.619 19052 89 1 15 "Average Difference" CB 45 3.302 -1.164 3.125 19052 90 1 15 "Average Difference" HN 48 0.451 0.052 0.453 19052 91 1 16 "Average Difference" N 48 2.796 -0.730 2.728 19052 92 1 16 "Average Difference" HA 59 0.291 0.038 0.291 19052 93 1 16 "Average Difference" C 48 3.117 1.997 2.419 19052 94 1 16 "Average Difference" CA 52 1.589 -0.435 1.543 19052 95 1 16 "Average Difference" CB 45 3.443 -1.241 3.248 19052 96 1 16 "Average Difference" HN 48 0.444 0.057 0.445 19052 97 1 17 "Average Difference" N 48 3.032 -0.583 3.007 19052 98 1 17 "Average Difference" HA 59 0.254 0.005 0.256 19052 99 1 17 "Average Difference" C 48 3.103 1.963 2.429 19052 100 1 17 "Average Difference" CA 52 1.639 -0.440 1.594 19052 101 1 17 "Average Difference" CB 45 3.312 -1.238 3.107 19052 102 1 17 "Average Difference" HN 48 0.474 0.007 0.479 19052 103 1 18 "Average Difference" N 48 2.958 -0.552 2.937 19052 104 1 18 "Average Difference" HA 59 0.278 0.053 0.275 19052 105 1 18 "Average Difference" C 48 3.102 1.869 2.502 19052 106 1 18 "Average Difference" CA 52 1.656 -0.363 1.631 19052 107 1 18 "Average Difference" CB 45 3.362 -1.167 3.188 19052 108 1 18 "Average Difference" HN 48 0.471 0.043 0.474 19052 109 1 19 "Average Difference" N 48 3.222 -0.890 3.129 19052 110 1 19 "Average Difference" HA 59 0.334 0.082 0.327 19052 111 1 19 "Average Difference" C 48 3.075 1.906 2.439 19052 112 1 19 "Average Difference" CA 52 1.554 -0.423 1.510 19052 113 1 19 "Average Difference" CB 45 3.319 -1.065 3.179 19052 114 1 19 "Average Difference" HN 48 0.466 0.080 0.464 19052 115 1 20 "Average Difference" N 48 3.172 -0.563 3.154 19052 116 1 20 "Average Difference" HA 59 0.287 0.022 0.288 19052 117 1 20 "Average Difference" C 48 3.124 1.964 2.455 19052 118 1 20 "Average Difference" CA 52 1.670 -0.394 1.639 19052 119 1 20 "Average Difference" CB 45 3.338 -1.269 3.122 19052 120 1 20 "Average Difference" HN 48 0.461 0.040 0.464 19052 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 19052 _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 1 508 508 GLN N N 508 120.688 120.688 120.795 -0.107 19052 2 1 . 1 1 508 508 GLN HA H 508 4.590 4.590 4.628 -0.038 19052 3 1 . 1 1 508 508 GLN CA C 508 53.781 53.781 54.132 -0.351 19052 4 1 . 1 1 508 508 GLN CB C 508 29.074 29.074 29.333 -0.259 19052 5 1 . 1 1 508 508 GLN H H 508 8.558 8.558 8.249 0.309 19052 6 1 . 1 1 509 509 PRO HA H 509 4.322 4.322 4.542 -0.220 19052 7 1 . 1 1 509 509 PRO C C 509 173.716 173.716 175.758 -2.042 19052 8 1 . 1 1 509 509 PRO CA C 509 63.284 63.284 62.738 0.546 19052 9 1 . 1 1 509 509 PRO CB C 509 32.273 32.273 31.911 0.362 19052 10 1 . 1 1 510 510 LYS N N 510 121.212 121.212 117.364 3.848 19052 11 1 . 1 1 510 510 LYS HA H 510 4.205 4.205 4.068 0.137 19052 12 1 . 1 1 510 510 LYS C C 510 173.988 173.988 175.608 -1.620 19052 13 1 . 1 1 510 510 LYS CA C 510 56.301 56.301 56.921 -0.620 19052 14 1 . 1 1 510 510 LYS CB C 510 33.419 33.419 30.696 2.723 19052 15 1 . 1 1 510 510 LYS H H 510 8.322 8.322 8.181 0.141 19052 16 1 . 1 1 511 511 CYS N N 511 119.342 119.342 115.314 4.028 19052 17 1 . 1 1 511 511 CYS HA H 511 4.558 4.558 4.618 -0.060 19052 18 1 . 1 1 511 511 CYS C C 511 176.901 176.901 173.694 3.208 19052 19 1 . 1 1 511 511 CYS CA C 511 55.516 55.516 56.975 -1.459 19052 20 1 . 1 1 511 511 CYS CB C 511 41.836 41.836 27.247 14.589 19052 21 1 . 1 1 511 511 CYS H H 511 8.269 8.269 8.290 -0.021 19052 22 1 . 1 1 512 512 ASN N N 512 122.311 122.311 119.806 2.505 19052 23 1 . 1 1 512 512 ASN HA H 512 4.890 4.890 5.082 -0.192 19052 24 1 . 1 1 512 512 ASN CA C 512 51.259 51.259 51.469 -0.210 19052 25 1 . 1 1 512 512 ASN CB C 512 39.388 39.388 38.982 0.406 19052 26 1 . 1 1 512 512 ASN H H 512 8.605 8.605 7.938 0.667 19052 27 1 . 1 1 513 513 PRO HA H 513 4.295 4.295 4.436 -0.141 19052 28 1 . 1 1 513 513 PRO C C 513 173.951 173.951 176.320 -2.369 19052 29 1 . 1 1 513 513 PRO CA C 513 63.657 63.657 63.687 -0.030 19052 30 1 . 1 1 513 513 PRO CB C 513 32.188 32.188 32.474 -0.286 19052 31 1 . 1 1 514 514 ASN N N 514 117.512 117.512 114.618 2.894 19052 32 1 . 1 1 514 514 ASN HA H 514 4.539 4.539 4.611 -0.072 19052 33 1 . 1 1 514 514 ASN C C 514 175.348 175.348 174.274 1.074 19052 34 1 . 1 1 514 514 ASN CA C 514 53.557 53.557 53.410 0.147 19052 35 1 . 1 1 514 514 ASN CB C 514 39.195 39.195 40.396 -1.201 19052 36 1 . 1 1 514 514 ASN H H 514 8.288 8.288 8.155 0.133 19052 37 1 . 1 1 515 515 LEU N N 515 121.066 121.066 115.544 5.522 19052 38 1 . 1 1 515 515 LEU HA H 515 4.157 4.157 3.931 0.226 19052 39 1 . 1 1 515 515 LEU C C 515 173.686 173.686 175.458 -1.772 19052 40 1 . 1 1 515 515 LEU CA C 515 55.344 55.344 55.699 -0.355 19052 41 1 . 1 1 515 515 LEU CB C 515 42.525 42.525 39.770 2.755 19052 42 1 . 1 1 515 515 LEU H H 515 7.773 7.773 8.194 -0.421 19052 43 1 . 1 1 516 516 HIS N N 516 117.512 117.512 115.660 1.852 19052 44 1 . 1 1 516 516 HIS HA H 516 4.438 4.438 4.636 -0.198 19052 45 1 . 1 1 516 516 HIS C C 516 175.736 175.736 175.863 -0.127 19052 46 1 . 1 1 516 516 HIS CA C 516 55.806 55.806 56.362 -0.556 19052 47 1 . 1 1 516 516 HIS CB C 516 28.903 28.903 30.593 -1.690 19052 48 1 . 1 1 516 516 HIS H H 516 8.109 8.109 8.487 -0.378 19052 49 1 . 1 1 517 517 TYR N N 517 120.068 120.068 116.808 3.260 19052 50 1 . 1 1 517 517 TYR HA H 517 4.206 4.206 4.408 -0.202 19052 51 1 . 1 1 517 517 TYR C C 517 174.847 174.847 175.359 -0.512 19052 52 1 . 1 1 517 517 TYR CA C 517 59.252 59.252 57.139 2.113 19052 53 1 . 1 1 517 517 TYR CB C 517 39.066 39.066 37.521 1.545 19052 54 1 . 1 1 517 517 TYR H H 517 8.070 8.070 7.575 0.494 19052 55 1 . 1 1 518 518 TRP N N 518 118.503 118.503 121.912 -3.409 19052 56 1 . 1 1 518 518 TRP HA H 518 4.549 4.549 4.760 -0.211 19052 57 1 . 1 1 518 518 TRP C C 518 174.443 174.443 176.396 -1.953 19052 58 1 . 1 1 518 518 TRP CA C 518 57.822 57.822 56.240 1.582 19052 59 1 . 1 1 518 518 TRP CB C 518 29.912 29.912 31.373 -1.461 19052 60 1 . 1 1 518 518 TRP H H 518 7.641 7.641 7.235 0.406 19052 61 1 . 1 1 519 519 THR N N 519 112.242 112.242 117.874 -5.632 19052 62 1 . 1 1 519 519 THR HA H 519 4.340 4.340 3.910 0.430 19052 63 1 . 1 1 519 519 THR C C 519 175.579 175.579 174.624 0.956 19052 64 1 . 1 1 519 519 THR CA C 519 61.791 61.791 64.713 -2.922 19052 65 1 . 1 1 519 519 THR CB C 519 70.049 70.049 68.909 1.140 19052 66 1 . 1 1 519 519 THR H H 519 7.887 7.887 8.251 -0.364 19052 67 1 . 1 1 520 520 THR N N 520 114.383 114.383 110.115 4.268 19052 68 1 . 1 1 520 520 THR HA H 520 4.245 4.245 4.316 -0.071 19052 69 1 . 1 1 520 520 THR C C 520 175.402 175.402 172.775 2.627 19052 70 1 . 1 1 520 520 THR CA C 520 62.140 62.140 62.671 -0.531 19052 71 1 . 1 1 520 520 THR CB C 520 69.994 69.994 69.068 0.926 19052 72 1 . 1 1 520 520 THR H H 520 7.936 7.936 7.722 0.214 19052 73 1 . 1 1 521 521 GLN N N 521 121.482 121.482 122.073 -0.591 19052 74 1 . 1 1 521 521 GLN HA H 521 4.167 4.167 4.222 -0.055 19052 75 1 . 1 1 521 521 GLN C C 521 174.280 174.280 175.252 -0.972 19052 76 1 . 1 1 521 521 GLN CA C 521 56.569 56.569 56.540 0.029 19052 77 1 . 1 1 521 521 GLN CB C 521 29.357 29.357 29.421 -0.064 19052 78 1 . 1 1 521 521 GLN H H 521 8.238 8.238 8.051 0.187 19052 79 1 . 1 1 522 522 ASP N N 522 120.331 120.331 121.221 -0.890 19052 80 1 . 1 1 522 522 ASP HA H 522 4.436 4.436 4.346 0.090 19052 81 1 . 1 1 522 522 ASP C C 522 173.622 173.622 176.437 -2.815 19052 82 1 . 1 1 522 522 ASP CA C 522 55.067 55.067 55.356 -0.289 19052 83 1 . 1 1 522 522 ASP CB C 522 41.079 41.079 39.864 1.215 19052 84 1 . 1 1 522 522 ASP H H 522 8.151 8.151 8.691 -0.540 19052 85 1 . 1 1 523 523 GLU N N 523 120.580 120.580 122.302 -1.722 19052 86 1 . 1 1 523 523 GLU HA H 523 4.086 4.086 4.016 0.070 19052 87 1 . 1 1 523 523 GLU C C 523 173.037 173.037 176.159 -3.122 19052 88 1 . 1 1 523 523 GLU CA C 523 57.580 57.580 55.253 2.327 19052 89 1 . 1 1 523 523 GLU CB C 523 29.542 29.542 27.213 2.329 19052 90 1 . 1 1 523 523 GLU H H 523 8.261 8.261 8.173 0.088 19052 91 1 . 1 1 524 524 GLY N N 524 108.383 108.383 107.344 1.039 19052 92 1 . 1 1 524 524 GLY C C 524 175.981 175.981 174.221 1.760 19052 93 1 . 1 1 524 524 GLY CA C 524 45.936 45.936 44.980 0.956 19052 94 1 . 1 1 524 524 GLY H H 524 8.287 8.287 7.892 0.395 19052 95 1 . 1 1 525 525 ALA N N 525 122.951 122.951 123.879 -0.928 19052 96 1 . 1 1 525 525 ALA HA H 525 4.150 4.150 4.287 -0.137 19052 97 1 . 1 1 525 525 ALA C C 525 172.507 172.507 177.374 -4.867 19052 98 1 . 1 1 525 525 ALA CA C 525 53.068 53.068 51.305 1.763 19052 99 1 . 1 1 525 525 ALA CB C 525 19.406 19.406 16.752 2.654 19052 100 1 . 1 1 525 525 ALA H H 525 7.846 7.846 7.957 -0.111 19052 101 1 . 1 1 526 526 ALA N N 526 122.022 122.022 121.734 0.287 19052 102 1 . 1 1 526 526 ALA HA H 526 4.181 4.181 3.873 0.308 19052 103 1 . 1 1 526 526 ALA C C 526 172.070 172.070 176.357 -4.287 19052 104 1 . 1 1 526 526 ALA CA C 526 53.158 53.158 52.967 0.191 19052 105 1 . 1 1 526 526 ALA CB C 526 19.271 19.271 17.853 1.418 19052 106 1 . 1 1 526 526 ALA H H 526 8.014 8.014 8.407 -0.393 19052 107 1 . 1 1 527 527 ILE N N 527 118.520 118.520 119.233 -0.713 19052 108 1 . 1 1 527 527 ILE HA H 527 3.887 3.887 4.056 -0.169 19052 109 1 . 1 1 527 527 ILE C C 527 173.664 173.664 176.441 -2.777 19052 110 1 . 1 1 527 527 ILE CA C 527 62.221 62.221 61.957 0.264 19052 111 1 . 1 1 527 527 ILE CB C 527 38.735 38.735 38.053 0.683 19052 112 1 . 1 1 527 527 ILE H H 527 7.907 7.907 7.994 -0.087 19052 113 1 . 1 1 528 528 GLY N N 528 109.901 109.901 109.249 0.652 19052 114 1 . 1 1 528 528 GLY C C 528 175.853 175.853 174.691 1.162 19052 115 1 . 1 1 528 528 GLY CA C 528 46.143 46.143 46.054 0.089 19052 116 1 . 1 1 528 528 GLY H H 528 8.251 8.251 8.366 -0.115 19052 117 1 . 1 1 529 529 ALA N N 529 122.244 122.244 121.238 1.006 19052 118 1 . 1 1 529 529 ALA HA H 529 3.997 3.997 3.884 0.113 19052 119 1 . 1 1 529 529 ALA C C 529 171.603 171.603 176.484 -4.881 19052 120 1 . 1 1 529 529 ALA CA C 529 54.036 54.036 53.020 1.016 19052 121 1 . 1 1 529 529 ALA CB C 529 19.173 19.173 17.637 1.536 19052 122 1 . 1 1 529 529 ALA H H 529 7.968 7.968 7.520 0.448 19052 123 1 . 1 1 530 530 ALA N N 530 119.150 119.150 118.171 0.979 19052 124 1 . 1 1 530 530 ALA HA H 530 4.055 4.055 3.730 0.325 19052 125 1 . 1 1 530 530 ALA C C 530 172.413 172.413 175.937 -3.524 19052 126 1 . 1 1 530 530 ALA CA C 530 53.591 53.591 51.427 2.164 19052 127 1 . 1 1 530 530 ALA CB C 530 19.102 19.102 18.666 0.436 19052 128 1 . 1 1 530 530 ALA H H 530 8.161 8.161 7.525 0.636 19052 129 1 . 1 1 531 531 TRP N N 531 115.703 115.703 115.595 0.108 19052 130 1 . 1 1 531 531 TRP HA H 531 4.525 4.525 4.257 0.268 19052 131 1 . 1 1 531 531 TRP C C 531 173.708 173.708 174.947 -1.239 19052 132 1 . 1 1 531 531 TRP CA C 531 57.449 57.449 56.904 0.545 19052 133 1 . 1 1 531 531 TRP CB C 531 30.079 30.079 26.323 3.756 19052 134 1 . 1 1 531 531 TRP H H 531 7.758 7.758 7.999 -0.241 19052 135 1 . 1 1 532 532 ILE N N 532 120.648 120.648 118.207 2.441 19052 136 1 . 1 1 532 532 ILE HA H 532 3.814 3.814 4.541 -0.727 19052 137 1 . 1 1 532 532 ILE CA C 532 63.978 63.978 58.580 5.398 19052 138 1 . 1 1 532 532 ILE CB C 532 37.291 37.291 38.385 -1.094 19052 139 1 . 1 1 532 532 ILE H H 532 7.515 7.515 7.923 -0.408 19052 140 1 . 1 1 533 533 PRO HA H 533 4.199 4.199 4.219 -0.020 19052 141 1 . 1 1 533 533 PRO C C 533 173.380 173.380 177.155 -3.775 19052 142 1 . 1 1 533 533 PRO CA C 533 64.877 64.877 64.968 -0.091 19052 143 1 . 1 1 533 533 PRO CB C 533 31.795 31.795 31.066 0.729 19052 144 1 . 1 1 534 534 TYR N N 534 114.701 114.701 117.296 -2.595 19052 145 1 . 1 1 534 534 TYR HA H 534 4.127 4.127 4.209 -0.082 19052 146 1 . 1 1 534 534 TYR C C 534 174.356 174.356 176.852 -2.496 19052 147 1 . 1 1 534 534 TYR CA C 534 60.153 60.153 60.221 -0.068 19052 148 1 . 1 1 534 534 TYR CB C 534 38.665 38.665 38.030 0.635 19052 149 1 . 1 1 534 534 TYR H H 534 7.558 7.558 8.031 -0.473 19052 150 1 . 1 1 535 535 PHE N N 535 116.978 116.978 113.258 3.720 19052 151 1 . 1 1 535 535 PHE HA H 535 4.381 4.381 4.898 -0.517 19052 152 1 . 1 1 535 535 PHE C C 535 174.160 174.160 176.332 -2.172 19052 153 1 . 1 1 535 535 PHE CA C 535 59.095 59.095 56.050 3.045 19052 154 1 . 1 1 535 535 PHE CB C 535 40.607 40.607 39.217 1.390 19052 155 1 . 1 1 535 535 PHE H H 535 8.003 8.003 7.206 0.797 19052 156 1 . 1 1 536 536 GLY N N 536 107.091 107.091 111.810 -4.719 19052 157 1 . 1 1 536 536 GLY CA C 536 47.335 47.335 46.797 0.538 19052 158 1 . 1 1 536 536 GLY H H 536 8.130 8.130 8.798 -0.668 19052 159 1 . 1 1 537 537 PRO HA H 537 4.244 4.244 4.563 -0.319 19052 160 1 . 1 1 537 537 PRO C C 537 171.319 171.319 175.666 -4.347 19052 161 1 . 1 1 537 537 PRO CA C 537 65.023 65.023 63.380 1.643 19052 162 1 . 1 1 537 537 PRO CB C 537 31.842 31.842 30.885 0.957 19052 163 1 . 1 1 538 538 ALA N N 538 120.335 120.335 119.047 1.288 19052 164 1 . 1 1 538 538 ALA HA H 538 4.104 4.104 4.613 -0.509 19052 165 1 . 1 1 538 538 ALA C C 538 171.431 171.431 176.212 -4.781 19052 166 1 . 1 1 538 538 ALA CA C 538 54.534 54.534 52.179 2.355 19052 167 1 . 1 1 538 538 ALA CB C 538 18.866 18.866 20.730 -1.864 19052 168 1 . 1 1 538 538 ALA H H 538 7.913 7.913 8.001 -0.088 19052 169 1 . 1 1 539 539 ALA N N 539 120.016 120.016 119.396 0.620 19052 170 1 . 1 1 539 539 ALA HA H 539 3.916 3.916 4.798 -0.881 19052 171 1 . 1 1 539 539 ALA C C 539 171.593 171.593 176.961 -5.368 19052 172 1 . 1 1 539 539 ALA CA C 539 54.669 54.669 52.696 1.973 19052 173 1 . 1 1 539 539 ALA CB C 539 18.929 18.929 20.417 -1.488 19052 174 1 . 1 1 539 539 ALA H H 539 8.105 8.105 7.508 0.597 19052 175 1 . 1 1 540 540 GLU N N 540 116.288 116.288 120.610 -4.322 19052 176 1 . 1 1 540 540 GLU HA H 540 3.922 3.922 4.345 -0.423 19052 177 1 . 1 1 540 540 GLU C C 540 171.649 171.649 177.164 -5.515 19052 178 1 . 1 1 540 540 GLU CA C 540 59.055 59.055 56.008 3.047 19052 179 1 . 1 1 540 540 GLU CB C 540 29.335 29.335 27.637 1.698 19052 180 1 . 1 1 540 540 GLU H H 540 8.081 8.081 8.542 -0.461 19052 181 1 . 1 1 541 541 GLY N N 541 107.262 107.262 108.994 -1.732 19052 182 1 . 1 1 541 541 GLY C C 541 174.868 174.868 175.012 -0.144 19052 183 1 . 1 1 541 541 GLY CA C 541 46.506 46.506 45.715 0.791 19052 184 1 . 1 1 541 541 GLY H H 541 8.063 8.063 9.106 -1.043 19052 185 1 . 1 1 542 542 ILE N N 542 120.614 120.614 121.623 -1.009 19052 186 1 . 1 1 542 542 ILE HA H 542 3.760 3.760 3.591 0.169 19052 187 1 . 1 1 542 542 ILE C C 542 173.000 173.000 176.435 -3.435 19052 188 1 . 1 1 542 542 ILE CA C 542 64.103 64.103 64.061 0.042 19052 189 1 . 1 1 542 542 ILE CB C 542 38.394 38.394 37.890 0.504 19052 190 1 . 1 1 542 542 ILE H H 542 7.843 7.843 8.114 -0.271 19052 191 1 . 1 1 543 543 TYR N N 543 120.210 120.210 117.617 2.593 19052 192 1 . 1 1 543 543 TYR HA H 543 4.178 4.178 4.128 0.050 19052 193 1 . 1 1 543 543 TYR C C 543 173.268 173.268 176.822 -3.554 19052 194 1 . 1 1 543 543 TYR CA C 543 60.547 60.547 59.391 1.156 19052 195 1 . 1 1 543 543 TYR CB C 543 38.923 38.923 35.881 3.042 19052 196 1 . 1 1 543 543 TYR H H 543 8.027 8.027 8.497 -0.470 19052 197 1 . 1 1 544 544 ALA N N 544 121.025 121.025 121.070 -0.045 19052 198 1 . 1 1 544 544 ALA HA H 544 3.953 3.953 3.698 0.255 19052 199 1 . 1 1 544 544 ALA C C 544 171.072 171.072 179.164 -8.092 19052 200 1 . 1 1 544 544 ALA CA C 544 54.440 54.440 53.851 0.589 19052 201 1 . 1 1 544 544 ALA CB C 544 19.028 19.028 17.679 1.349 19052 202 1 . 1 1 544 544 ALA H H 544 8.079 8.079 7.126 0.953 19052 203 1 . 1 1 545 545 GLU N N 545 116.132 116.132 118.957 -2.825 19052 204 1 . 1 1 545 545 GLU HA H 545 4.096 4.096 4.031 0.065 19052 205 1 . 1 1 545 545 GLU C C 545 172.525 172.525 178.292 -5.767 19052 206 1 . 1 1 545 545 GLU CA C 545 57.355 57.355 57.432 -0.077 19052 207 1 . 1 1 545 545 GLU CB C 545 29.517 29.517 29.733 -0.216 19052 208 1 . 1 1 545 545 GLU H H 545 7.880 7.880 8.248 -0.368 19052 209 1 . 1 1 546 546 GLY N N 546 107.283 107.283 109.158 -1.875 19052 210 1 . 1 1 546 546 GLY C C 546 175.638 175.638 174.335 1.303 19052 211 1 . 1 1 546 546 GLY CA C 546 46.241 46.241 46.172 0.069 19052 212 1 . 1 1 546 546 GLY H H 546 8.028 8.028 8.254 -0.226 19052 213 1 . 1 1 547 547 LEU N N 547 119.944 119.944 113.931 6.013 19052 214 1 . 1 1 547 547 LEU HA H 547 4.127 4.127 4.712 -0.585 19052 215 1 . 1 1 547 547 LEU C C 547 172.747 172.747 176.270 -3.523 19052 216 1 . 1 1 547 547 LEU CA C 547 56.418 56.418 55.555 0.863 19052 217 1 . 1 1 547 547 LEU CB C 547 42.717 42.717 43.079 -0.362 19052 218 1 . 1 1 547 547 LEU H H 547 7.865 7.865 8.198 -0.333 19052 219 1 . 1 1 548 548 MET N N 548 115.796 115.796 114.280 1.516 19052 220 1 . 1 1 548 548 MET HA H 548 4.231 4.231 4.596 -0.365 19052 221 1 . 1 1 548 548 MET C C 548 173.854 173.854 176.560 -2.706 19052 222 1 . 1 1 548 548 MET CA C 548 55.914 55.914 56.588 -0.674 19052 223 1 . 1 1 548 548 MET CB C 548 32.474 32.474 33.459 -0.985 19052 224 1 . 1 1 548 548 MET H H 548 7.958 7.958 8.495 -0.537 19052 225 1 . 1 1 549 549 HIS N N 549 116.928 116.928 119.772 -2.844 19052 226 1 . 1 1 549 549 HIS HA H 549 4.572 4.572 4.525 0.047 19052 227 1 . 1 1 549 549 HIS C C 549 175.817 175.817 176.214 -0.397 19052 228 1 . 1 1 549 549 HIS CA C 549 55.746 55.746 58.726 -2.980 19052 229 1 . 1 1 549 549 HIS CB C 549 28.918 28.918 29.183 -0.265 19052 230 1 . 1 1 549 549 HIS H H 549 8.059 8.059 8.545 -0.486 19052 231 1 . 1 1 550 550 ASN N N 550 118.413 118.413 115.563 2.850 19052 232 1 . 1 1 550 550 ASN HA H 550 4.554 4.554 4.630 -0.076 19052 233 1 . 1 1 550 550 ASN C C 550 174.738 174.738 175.791 -1.053 19052 234 1 . 1 1 550 550 ASN CA C 550 53.874 53.874 53.173 0.701 19052 235 1 . 1 1 550 550 ASN CB C 550 38.883 38.883 38.091 0.792 19052 236 1 . 1 1 550 550 ASN H H 550 8.222 8.222 8.535 -0.313 19052 237 1 . 1 1 551 551 GLN N N 551 119.844 119.844 119.207 0.637 19052 238 1 . 1 1 551 551 GLN HA H 551 4.217 4.217 4.153 0.064 19052 239 1 . 1 1 551 551 GLN C C 551 173.745 173.745 175.517 -1.772 19052 240 1 . 1 1 551 551 GLN CA C 551 56.477 56.477 56.861 -0.384 19052 241 1 . 1 1 551 551 GLN CB C 551 29.046 29.046 29.199 -0.153 19052 242 1 . 1 1 551 551 GLN H H 551 8.336 8.336 7.766 0.570 19052 243 1 . 1 1 552 552 ASP N N 552 119.497 119.497 117.423 2.074 19052 244 1 . 1 1 552 552 ASP HA H 552 4.434 4.434 4.704 -0.270 19052 245 1 . 1 1 552 552 ASP C C 552 173.446 173.446 176.353 -2.907 19052 246 1 . 1 1 552 552 ASP CA C 552 55.146 55.146 54.363 0.783 19052 247 1 . 1 1 552 552 ASP CB C 552 41.174 41.174 42.994 -1.820 19052 248 1 . 1 1 552 552 ASP H H 552 8.192 8.192 8.476 -0.284 19052 249 1 . 1 1 553 553 GLY N N 553 107.920 107.920 107.520 0.400 19052 250 1 . 1 1 553 553 GLY C C 553 175.627 175.627 174.788 0.839 19052 251 1 . 1 1 553 553 GLY CA C 553 45.791 45.791 45.104 0.687 19052 252 1 . 1 1 553 553 GLY H H 553 8.114 8.114 7.896 0.218 19052 253 1 . 1 1 554 554 LEU N N 554 121.436 121.436 118.134 3.302 19052 254 1 . 1 1 554 554 LEU HA H 554 4.150 4.150 4.103 0.047 19052 255 1 . 1 1 554 554 LEU C C 554 172.742 172.742 177.072 -4.330 19052 256 1 . 1 1 554 554 LEU CA C 554 56.520 56.520 56.746 -0.226 19052 257 1 . 1 1 554 554 LEU CB C 554 42.857 42.857 41.601 1.256 19052 258 1 . 1 1 554 554 LEU H H 554 8.055 8.055 7.747 0.308 19052 259 1 . 1 1 555 555 ILE N N 555 117.147 117.147 115.211 1.936 19052 260 1 . 1 1 555 555 ILE HA H 555 3.947 3.947 3.864 0.083 19052 261 1 . 1 1 555 555 ILE C C 555 174.354 174.354 176.746 -2.392 19052 262 1 . 1 1 555 555 ILE CA C 555 62.214 62.214 61.246 0.968 19052 263 1 . 1 1 555 555 ILE CB C 555 38.447 38.447 36.083 2.364 19052 264 1 . 1 1 555 555 ILE H H 555 7.946 7.946 7.857 0.089 19052 265 1 . 1 1 556 556 CYS N N 556 119.354 119.354 124.692 -5.338 19052 266 1 . 1 1 556 556 CYS HA H 556 4.439 4.439 4.277 0.162 19052 267 1 . 1 1 556 556 CYS C C 556 174.864 174.864 176.176 -1.312 19052 268 1 . 1 1 556 556 CYS CA C 556 55.915 55.915 60.344 -4.429 19052 269 1 . 1 1 556 556 CYS CB C 556 40.902 40.902 27.708 13.194 19052 270 1 . 1 1 556 556 CYS H H 556 8.193 8.193 8.908 -0.715 19052 271 1 . 1 1 557 557 GLY N N 557 108.370 108.370 107.602 0.768 19052 272 1 . 1 1 557 557 GLY C C 557 176.365 176.365 174.286 2.079 19052 273 1 . 1 1 557 557 GLY CA C 557 45.923 45.923 46.044 -0.121 19052 274 1 . 1 1 557 557 GLY H H 557 8.112 8.112 8.424 -0.312 19052 275 1 . 1 1 558 558 LEU N N 558 120.302 120.302 114.216 6.086 19052 276 1 . 1 1 558 558 LEU HA H 558 4.209 4.209 4.557 -0.348 19052 277 1 . 1 1 558 558 LEU C C 558 173.387 173.387 175.006 -1.619 19052 278 1 . 1 1 558 558 LEU CA C 558 55.568 55.568 54.966 0.602 19052 279 1 . 1 1 558 558 LEU CB C 558 42.943 42.943 42.847 0.096 19052 280 1 . 1 1 558 558 LEU H H 558 7.816 7.816 7.704 0.112 19052 281 1 . 1 1 559 559 ARG N N 559 119.826 119.826 117.517 2.309 19052 282 1 . 1 1 559 559 ARG HA H 559 4.246 4.246 4.205 0.041 19052 283 1 . 1 1 559 559 ARG C C 559 175.047 175.047 174.497 0.550 19052 284 1 . 1 1 559 559 ARG CA C 559 55.858 55.858 56.492 -0.634 19052 285 1 . 1 1 559 559 ARG CB C 559 30.806 30.806 29.652 1.154 19052 286 1 . 1 1 559 559 ARG H H 559 7.996 7.996 7.982 0.014 19052 stop_ save_