data_19516 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19516 _Entry.PDB_ID 2ME5 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 19516 _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 1 501 501 LYS N N 501 125.415 125.415 120.527 4.888 19516 2 1 1 . 1 1 501 501 LYS HA H 501 4.007 4.007 4.394 -0.387 19516 3 1 1 . 1 1 501 501 LYS C C 501 177.113 177.113 178.151 -1.038 19516 4 1 1 . 1 1 501 501 LYS CA C 501 59.115 59.115 56.676 2.439 19516 5 1 1 . 1 1 501 501 LYS CB C 501 32.793 32.793 32.214 0.579 19516 6 1 1 . 1 1 501 501 LYS H H 501 8.677 8.677 8.482 0.195 19516 7 1 1 . 1 1 502 502 ALA N N 502 120.718 120.718 122.424 -1.706 19516 8 1 1 . 1 1 502 502 ALA HA H 502 4.240 4.240 4.217 0.023 19516 9 1 1 . 1 1 502 502 ALA C C 502 180.345 180.345 178.587 1.758 19516 10 1 1 . 1 1 502 502 ALA CA C 502 54.738 54.738 54.383 0.354 19516 11 1 1 . 1 1 502 502 ALA CB C 502 18.172 18.172 18.434 -0.262 19516 12 1 1 . 1 1 502 502 ALA H H 502 8.382 8.382 7.982 0.400 19516 13 1 1 . 1 1 503 503 TYR N N 503 120.200 120.200 120.140 0.060 19516 14 1 1 . 1 1 503 503 TYR HA H 503 4.543 4.543 4.076 0.467 19516 15 1 1 . 1 1 503 503 TYR C C 503 177.235 177.235 177.452 -0.217 19516 16 1 1 . 1 1 503 503 TYR CA C 503 60.020 60.020 61.419 -1.399 19516 17 1 1 . 1 1 503 503 TYR CB C 503 38.707 38.707 38.353 0.354 19516 18 1 1 . 1 1 503 503 TYR H H 503 7.817 7.817 8.209 -0.392 19516 19 1 1 . 1 1 504 504 LEU N N 504 120.133 120.133 117.763 2.370 19516 20 1 1 . 1 1 504 504 LEU HA H 504 3.857 3.857 3.790 0.067 19516 21 1 1 . 1 1 504 504 LEU C C 504 178.616 178.616 179.000 -0.384 19516 22 1 1 . 1 1 504 504 LEU CA C 504 58.200 58.200 58.589 -0.389 19516 23 1 1 . 1 1 504 504 LEU CB C 504 41.066 41.066 41.335 -0.269 19516 24 1 1 . 1 1 504 504 LEU H H 504 8.175 8.175 8.368 -0.193 19516 25 1 1 . 1 1 505 505 ASP N N 505 117.709 117.709 118.493 -0.784 19516 26 1 1 . 1 1 505 505 ASP HA H 505 4.307 4.307 4.207 0.100 19516 27 1 1 . 1 1 505 505 ASP C C 505 179.849 179.849 178.018 1.831 19516 28 1 1 . 1 1 505 505 ASP CA C 505 57.578 57.578 57.488 0.090 19516 29 1 1 . 1 1 505 505 ASP CB C 505 39.811 39.811 40.685 -0.874 19516 30 1 1 . 1 1 505 505 ASP H H 505 8.308 8.308 7.720 0.588 19516 31 1 1 . 1 1 506 506 GLU N N 506 121.244 121.244 117.771 3.473 19516 32 1 1 . 1 1 506 506 GLU HA H 506 4.038 4.038 4.011 0.027 19516 33 1 1 . 1 1 506 506 GLU C C 506 179.957 179.957 179.325 0.632 19516 34 1 1 . 1 1 506 506 GLU CA C 506 59.786 59.786 58.838 0.948 19516 35 1 1 . 1 1 506 506 GLU CB C 506 29.644 29.644 29.219 0.425 19516 36 1 1 . 1 1 506 506 GLU H H 506 7.657 7.657 7.878 -0.221 19516 37 1 1 . 1 1 507 507 LEU N N 507 121.550 121.550 118.949 2.601 19516 38 1 1 . 1 1 507 507 LEU HA H 507 3.860 3.860 4.131 -0.271 19516 39 1 1 . 1 1 507 507 LEU C C 507 178.973 178.973 178.775 0.198 19516 40 1 1 . 1 1 507 507 LEU CA C 507 57.925 57.925 57.233 0.692 19516 41 1 1 . 1 1 507 507 LEU CB C 507 41.882 41.882 41.634 0.248 19516 42 1 1 . 1 1 507 507 LEU H H 507 8.255 8.255 8.041 0.214 19516 43 1 1 . 1 1 508 508 VAL N N 508 121.174 121.174 121.249 -0.075 19516 44 1 1 . 1 1 508 508 VAL HA H 508 3.522 3.522 3.592 -0.070 19516 45 1 1 . 1 1 508 508 VAL C C 508 178.831 178.831 178.125 0.706 19516 46 1 1 . 1 1 508 508 VAL CA C 508 67.098 67.098 67.590 -0.492 19516 47 1 1 . 1 1 508 508 VAL CB C 508 31.988 31.988 30.974 1.014 19516 48 1 1 . 1 1 508 508 VAL H H 508 8.679 8.679 8.172 0.507 19516 49 1 1 . 1 1 509 509 GLU N N 509 120.516 120.516 119.123 1.393 19516 50 1 1 . 1 1 509 509 GLU HA H 509 4.286 4.286 3.999 0.287 19516 51 1 1 . 1 1 509 509 GLU C C 509 178.354 178.354 179.186 -0.832 19516 52 1 1 . 1 1 509 509 GLU CA C 509 58.837 58.837 59.603 -0.766 19516 53 1 1 . 1 1 509 509 GLU CB C 509 28.859 28.859 28.902 -0.043 19516 54 1 1 . 1 1 509 509 GLU H H 509 7.534 7.534 7.975 -0.441 19516 55 1 1 . 1 1 510 510 LEU N N 510 121.442 121.442 119.969 1.473 19516 56 1 1 . 1 1 510 510 LEU HA H 510 4.141 4.141 4.008 0.133 19516 57 1 1 . 1 1 510 510 LEU C C 510 177.961 177.961 178.739 -0.778 19516 58 1 1 . 1 1 510 510 LEU CA C 510 57.722 57.722 58.456 -0.734 19516 59 1 1 . 1 1 510 510 LEU CB C 510 41.776 41.776 41.691 0.085 19516 60 1 1 . 1 1 510 510 LEU H H 510 8.018 8.018 7.545 0.473 19516 61 1 1 . 1 1 511 511 HIS N N 511 119.858 119.858 118.539 1.319 19516 62 1 1 . 1 1 511 511 HIS HA H 511 3.708 3.708 4.067 -0.359 19516 63 1 1 . 1 1 511 511 HIS C C 511 176.325 176.325 177.014 -0.689 19516 64 1 1 . 1 1 511 511 HIS CA C 511 62.252 62.252 60.423 1.829 19516 65 1 1 . 1 1 511 511 HIS CB C 511 31.459 31.459 29.933 1.526 19516 66 1 1 . 1 1 511 511 HIS H H 511 9.028 9.028 8.912 0.116 19516 67 1 1 . 1 1 512 512 ARG N N 512 117.523 117.523 119.161 -1.638 19516 68 1 1 . 1 1 512 512 ARG HA H 512 3.859 3.859 3.799 0.060 19516 69 1 1 . 1 1 512 512 ARG C C 512 179.801 179.801 178.785 1.016 19516 70 1 1 . 1 1 512 512 ARG CA C 512 59.584 59.584 58.703 0.881 19516 71 1 1 . 1 1 512 512 ARG CB C 512 30.154 30.154 29.496 0.658 19516 72 1 1 . 1 1 512 512 ARG H H 512 7.942 7.942 8.712 -0.770 19516 73 1 1 . 1 1 513 513 ARG N N 513 117.870 117.870 119.588 -1.718 19516 74 1 1 . 1 1 513 513 ARG HA H 513 4.041 4.041 4.002 0.039 19516 75 1 1 . 1 1 513 513 ARG C C 513 179.852 179.852 179.046 0.806 19516 76 1 1 . 1 1 513 513 ARG CA C 513 58.766 58.766 59.525 -0.759 19516 77 1 1 . 1 1 513 513 ARG CB C 513 30.582 30.582 29.977 0.605 19516 78 1 1 . 1 1 513 513 ARG H H 513 7.845 7.845 8.305 -0.460 19516 79 1 1 . 1 1 514 514 LEU N N 514 119.343 119.343 119.659 -0.316 19516 80 1 1 . 1 1 514 514 LEU HA H 514 4.031 4.031 3.965 0.066 19516 81 1 1 . 1 1 514 514 LEU C C 514 178.922 178.922 178.171 0.751 19516 82 1 1 . 1 1 514 514 LEU CA C 514 57.671 57.671 57.782 -0.111 19516 83 1 1 . 1 1 514 514 LEU CB C 514 41.926 41.926 41.989 -0.063 19516 84 1 1 . 1 1 514 514 LEU H H 514 8.753 8.753 8.513 0.240 19516 85 1 1 . 1 1 515 515 MET N N 515 115.167 115.167 115.920 -0.753 19516 86 1 1 . 1 1 515 515 MET HA H 515 4.397 4.397 4.144 0.253 19516 87 1 1 . 1 1 515 515 MET C C 515 177.921 177.921 177.844 0.077 19516 88 1 1 . 1 1 515 515 MET CA C 515 56.895 56.895 57.554 -0.659 19516 89 1 1 . 1 1 515 515 MET CB C 515 31.659 31.659 32.852 -1.193 19516 90 1 1 . 1 1 515 515 MET H H 515 7.810 7.810 7.866 -0.056 19516 91 1 1 . 1 1 516 516 THR N N 516 106.551 106.551 111.044 -4.493 19516 92 1 1 . 1 1 516 516 THR HA H 516 4.441 4.441 4.253 0.188 19516 93 1 1 . 1 1 516 516 THR C C 516 174.390 174.390 175.523 -1.133 19516 94 1 1 . 1 1 516 516 THR CA C 516 61.133 61.133 62.276 -1.143 19516 95 1 1 . 1 1 516 516 THR CB C 516 69.787 69.787 69.611 0.176 19516 96 1 1 . 1 1 516 516 THR H H 516 7.269 7.269 7.486 -0.217 19516 97 1 1 . 1 1 517 517 LEU N N 517 123.805 123.805 124.225 -0.420 19516 98 1 1 . 1 1 517 517 LEU HA H 517 4.283 4.283 4.171 0.112 19516 99 1 1 . 1 1 517 517 LEU C C 517 177.241 177.241 176.344 0.897 19516 100 1 1 . 1 1 517 517 LEU CA C 517 56.137 56.137 56.138 -0.001 19516 101 1 1 . 1 1 517 517 LEU CB C 517 42.974 42.974 42.744 0.230 19516 102 1 1 . 1 1 517 517 LEU H H 517 7.036 7.036 7.956 -0.920 19516 103 1 1 . 1 1 518 518 ARG N N 518 122.669 122.669 123.360 -0.691 19516 104 1 1 . 1 1 518 518 ARG HA H 518 4.598 4.598 4.364 0.234 19516 105 1 1 . 1 1 518 518 ARG C C 518 175.915 175.915 175.665 0.250 19516 106 1 1 . 1 1 518 518 ARG CA C 518 54.831 54.831 55.744 -0.913 19516 107 1 1 . 1 1 518 518 ARG CB C 518 32.442 32.442 30.889 1.553 19516 108 1 1 . 1 1 518 518 ARG H H 518 9.040 9.040 8.287 0.753 19516 109 1 1 . 1 1 519 519 GLU N N 519 121.385 121.385 122.331 -0.946 19516 110 1 1 . 1 1 519 519 GLU HA H 519 4.295 4.295 4.147 0.148 19516 111 1 1 . 1 1 519 519 GLU C C 519 177.016 177.016 177.564 -0.548 19516 112 1 1 . 1 1 519 519 GLU CA C 519 57.380 57.380 57.217 0.163 19516 113 1 1 . 1 1 519 519 GLU CB C 519 30.017 30.017 29.043 0.974 19516 114 1 1 . 1 1 519 519 GLU H H 519 7.172 7.172 8.559 -1.387 19516 115 1 1 . 1 1 520 520 ARG N N 520 128.171 128.171 126.213 1.958 19516 116 1 1 . 1 1 520 520 ARG HA H 520 3.811 3.811 3.989 -0.178 19516 117 1 1 . 1 1 520 520 ARG C C 520 177.930 177.930 178.414 -0.484 19516 118 1 1 . 1 1 520 520 ARG CA C 520 60.867 60.867 58.797 2.070 19516 119 1 1 . 1 1 520 520 ARG CB C 520 30.187 30.187 30.081 0.106 19516 120 1 1 . 1 1 520 520 ARG H H 520 8.918 8.918 8.537 0.381 19516 121 1 1 . 1 1 521 521 HIS N N 521 116.808 116.808 119.286 -2.478 19516 122 1 1 . 1 1 521 521 HIS HA H 521 4.402 4.402 4.295 0.107 19516 123 1 1 . 1 1 521 521 HIS C C 521 177.637 177.637 177.385 0.252 19516 124 1 1 . 1 1 521 521 HIS CA C 521 59.645 59.645 59.485 0.160 19516 125 1 1 . 1 1 521 521 HIS CB C 521 28.425 28.425 30.335 -1.910 19516 126 1 1 . 1 1 521 521 HIS H H 521 9.073 9.073 9.166 -0.093 19516 127 1 1 . 1 1 522 522 ILE N N 522 119.592 119.592 120.139 -0.547 19516 128 1 1 . 1 1 522 522 ILE HA H 522 3.896 3.896 3.762 0.134 19516 129 1 1 . 1 1 522 522 ILE C C 522 177.866 177.866 177.149 0.717 19516 130 1 1 . 1 1 522 522 ILE CA C 522 63.397 63.397 62.378 1.019 19516 131 1 1 . 1 1 522 522 ILE CB C 522 37.650 37.650 38.138 -0.488 19516 132 1 1 . 1 1 522 522 ILE H H 522 7.088 7.088 7.618 -0.530 19516 133 1 1 . 1 1 523 523 LEU N N 523 119.719 119.719 119.694 0.025 19516 134 1 1 . 1 1 523 523 LEU HA H 523 3.819 3.819 3.701 0.118 19516 135 1 1 . 1 1 523 523 LEU C C 523 178.379 178.379 179.195 -0.816 19516 136 1 1 . 1 1 523 523 LEU CA C 523 58.386 58.386 57.859 0.527 19516 137 1 1 . 1 1 523 523 LEU CB C 523 41.318 41.318 40.844 0.474 19516 138 1 1 . 1 1 523 523 LEU H H 523 7.905 7.905 7.572 0.333 19516 139 1 1 . 1 1 524 524 GLN N N 524 116.700 116.700 117.267 -0.567 19516 140 1 1 . 1 1 524 524 GLN HA H 524 3.552 3.552 3.830 -0.278 19516 141 1 1 . 1 1 524 524 GLN C C 524 177.441 177.441 177.964 -0.523 19516 142 1 1 . 1 1 524 524 GLN CA C 524 58.259 58.259 58.414 -0.155 19516 143 1 1 . 1 1 524 524 GLN CB C 524 29.097 29.097 28.194 0.903 19516 144 1 1 . 1 1 524 524 GLN H H 524 8.265 8.265 7.726 0.539 19516 145 1 1 . 1 1 525 525 GLN N N 525 117.608 117.608 118.993 -1.385 19516 146 1 1 . 1 1 525 525 GLN HA H 525 3.777 3.777 3.766 0.011 19516 147 1 1 . 1 1 525 525 GLN C C 525 179.278 179.278 178.311 0.967 19516 148 1 1 . 1 1 525 525 GLN CA C 525 58.986 58.986 58.205 0.781 19516 149 1 1 . 1 1 525 525 GLN CB C 525 28.545 28.545 27.931 0.614 19516 150 1 1 . 1 1 525 525 GLN H H 525 7.300 7.300 7.509 -0.209 19516 151 1 1 . 1 1 526 526 ILE N N 526 119.883 119.883 119.854 0.029 19516 152 1 1 . 1 1 526 526 ILE HA H 526 3.434 3.434 3.260 0.174 19516 153 1 1 . 1 1 526 526 ILE C C 526 176.638 176.638 177.747 -1.109 19516 154 1 1 . 1 1 526 526 ILE CA C 526 66.116 66.116 65.163 0.953 19516 155 1 1 . 1 1 526 526 ILE CB C 526 37.581 37.581 37.408 0.173 19516 156 1 1 . 1 1 526 526 ILE H H 526 8.039 8.039 8.007 0.032 19516 157 1 1 . 1 1 527 527 VAL N N 527 119.535 119.535 119.731 -0.196 19516 158 1 1 . 1 1 527 527 VAL HA H 527 2.791 2.791 3.120 -0.329 19516 159 1 1 . 1 1 527 527 VAL C C 527 176.957 176.957 177.641 -0.684 19516 160 1 1 . 1 1 527 527 VAL CA C 527 66.371 66.371 66.521 -0.150 19516 161 1 1 . 1 1 527 527 VAL CB C 527 30.623 30.623 30.832 -0.209 19516 162 1 1 . 1 1 527 527 VAL H H 527 8.052 8.052 7.435 0.617 19516 163 1 1 . 1 1 528 528 ASN N N 528 117.957 117.957 116.005 1.952 19516 164 1 1 . 1 1 528 528 ASN HA H 528 4.138 4.138 4.253 -0.115 19516 165 1 1 . 1 1 528 528 ASN C C 528 178.148 178.148 177.810 0.338 19516 166 1 1 . 1 1 528 528 ASN CA C 528 55.696 55.696 55.426 0.270 19516 167 1 1 . 1 1 528 528 ASN CB C 528 37.192 37.192 37.887 -0.695 19516 168 1 1 . 1 1 528 528 ASN H H 528 8.172 8.172 7.613 0.559 19516 169 1 1 . 1 1 529 529 LEU N N 529 120.654 120.654 121.571 -0.917 19516 170 1 1 . 1 1 529 529 LEU HA H 529 4.166 4.166 4.154 0.012 19516 171 1 1 . 1 1 529 529 LEU C C 529 178.908 178.908 177.815 1.093 19516 172 1 1 . 1 1 529 529 LEU CA C 529 57.870 57.870 57.532 0.338 19516 173 1 1 . 1 1 529 529 LEU CB C 529 42.512 42.512 41.512 1.000 19516 174 1 1 . 1 1 529 529 LEU H H 529 7.666 7.666 7.823 -0.157 19516 175 1 1 . 1 1 530 530 ILE N N 530 117.213 117.213 114.810 2.403 19516 176 1 1 . 1 1 530 530 ILE HA H 530 3.677 3.677 4.031 -0.354 19516 177 1 1 . 1 1 530 530 ILE C C 530 180.762 180.762 178.250 2.512 19516 178 1 1 . 1 1 530 530 ILE CA C 530 61.592 61.592 63.863 -2.271 19516 179 1 1 . 1 1 530 530 ILE CB C 530 34.726 34.726 37.685 -2.959 19516 180 1 1 . 1 1 530 530 ILE H H 530 8.543 8.543 7.887 0.656 19516 181 1 1 . 1 1 531 531 GLU N N 531 124.050 124.050 121.661 2.389 19516 182 1 1 . 1 1 531 531 GLU HA H 531 3.940 3.940 3.803 0.137 19516 183 1 1 . 1 1 531 531 GLU C C 531 178.698 178.698 178.658 0.040 19516 184 1 1 . 1 1 531 531 GLU CA C 531 59.763 59.763 59.542 0.221 19516 185 1 1 . 1 1 531 531 GLU CB C 531 27.691 27.691 29.182 -1.491 19516 186 1 1 . 1 1 531 531 GLU H H 531 9.276 9.276 8.423 0.853 19516 187 1 1 . 1 1 532 532 GLU N N 532 116.396 116.396 117.974 -1.578 19516 188 1 1 . 1 1 532 532 GLU HA H 532 3.995 3.995 4.122 -0.127 19516 189 1 1 . 1 1 532 532 GLU C C 532 178.030 178.030 178.819 -0.789 19516 190 1 1 . 1 1 532 532 GLU CA C 532 58.903 58.903 58.472 0.431 19516 191 1 1 . 1 1 532 532 GLU CB C 532 29.666 29.666 29.325 0.341 19516 192 1 1 . 1 1 532 532 GLU H H 532 7.003 7.003 7.696 -0.693 19516 193 1 1 . 1 1 533 533 THR N N 533 107.227 107.227 108.776 -1.549 19516 194 1 1 . 1 1 533 533 THR HA H 533 4.328 4.328 4.069 0.259 19516 195 1 1 . 1 1 533 533 THR C C 533 176.559 176.559 175.929 0.630 19516 196 1 1 . 1 1 533 533 THR CA C 533 63.112 63.112 63.130 -0.018 19516 197 1 1 . 1 1 533 533 THR CB C 533 71.513 71.513 69.380 2.133 19516 198 1 1 . 1 1 533 533 THR H H 533 7.611 7.611 7.529 0.082 19516 199 1 1 . 1 1 534 534 GLY N N 534 106.448 106.448 108.846 -2.398 19516 200 1 1 . 1 1 534 534 GLY C C 534 174.199 174.199 174.930 -0.731 19516 201 1 1 . 1 1 534 534 GLY CA C 534 45.527 45.527 44.715 0.812 19516 202 1 1 . 1 1 534 534 GLY H H 534 7.618 7.618 7.848 -0.230 19516 203 1 1 . 1 1 535 535 HIS N N 535 121.292 121.292 122.666 -1.374 19516 204 1 1 . 1 1 535 535 HIS HA H 535 4.909 4.909 4.340 0.569 19516 205 1 1 . 1 1 535 535 HIS C C 535 172.641 172.641 173.353 -0.712 19516 206 1 1 . 1 1 535 535 HIS CA C 535 53.806 53.806 55.490 -1.684 19516 207 1 1 . 1 1 535 535 HIS CB C 535 27.013 27.013 27.632 -0.619 19516 208 1 1 . 1 1 535 535 HIS H H 535 8.430 8.430 7.423 1.007 19516 209 1 1 . 1 1 536 536 PHE N N 536 115.908 115.908 116.280 -0.372 19516 210 1 1 . 1 1 536 536 PHE HA H 536 5.282 5.282 4.646 0.636 19516 211 1 1 . 1 1 536 536 PHE C C 536 173.438 173.438 173.278 0.160 19516 212 1 1 . 1 1 536 536 PHE CA C 536 55.736 55.736 56.057 -0.321 19516 213 1 1 . 1 1 536 536 PHE CB C 536 42.099 42.099 41.453 0.645 19516 214 1 1 . 1 1 536 536 PHE H H 536 7.173 7.173 7.329 -0.156 19516 215 1 1 . 1 1 537 537 HIS N N 537 117.767 117.767 119.435 -1.668 19516 216 1 1 . 1 1 537 537 HIS HA H 537 4.667 4.667 4.863 -0.196 19516 217 1 1 . 1 1 537 537 HIS C C 537 172.182 172.182 174.219 -2.037 19516 218 1 1 . 1 1 537 537 HIS CA C 537 55.264 55.264 55.367 -0.103 19516 219 1 1 . 1 1 537 537 HIS CB C 537 32.118 32.118 31.155 0.963 19516 220 1 1 . 1 1 537 537 HIS H H 537 9.185 9.185 8.277 0.908 19516 221 1 1 . 1 1 538 538 ILE N N 538 123.861 123.861 125.125 -1.264 19516 222 1 1 . 1 1 538 538 ILE HA H 538 4.986 4.986 4.333 0.653 19516 223 1 1 . 1 1 538 538 ILE C C 538 176.686 176.686 176.671 0.015 19516 224 1 1 . 1 1 538 538 ILE CA C 538 60.271 60.271 61.830 -1.559 19516 225 1 1 . 1 1 538 538 ILE CB C 538 39.400 39.400 38.966 0.434 19516 226 1 1 . 1 1 538 538 ILE H H 538 8.649 8.649 8.787 -0.138 19516 227 1 1 . 1 1 539 539 THR N N 539 119.438 119.438 120.472 -1.034 19516 228 1 1 . 1 1 539 539 THR HA H 539 4.726 4.726 4.643 0.083 19516 229 1 1 . 1 1 539 539 THR C C 539 173.788 173.788 175.784 -1.996 19516 230 1 1 . 1 1 539 539 THR CA C 539 60.256 60.256 60.503 -0.247 19516 231 1 1 . 1 1 539 539 THR CB C 539 70.391 70.391 69.756 0.635 19516 232 1 1 . 1 1 539 539 THR H H 539 9.118 9.118 8.376 0.742 19516 233 1 1 . 1 1 540 540 ASN N N 540 114.191 114.191 118.223 -4.032 19516 234 1 1 . 1 1 540 540 ASN HA H 540 4.542 4.542 4.496 0.046 19516 235 1 1 . 1 1 540 540 ASN C C 540 176.815 176.815 175.758 1.057 19516 236 1 1 . 1 1 540 540 ASN CA C 540 56.202 56.202 55.646 0.556 19516 237 1 1 . 1 1 540 540 ASN CB C 540 38.371 38.371 38.760 -0.389 19516 238 1 1 . 1 1 540 540 ASN H H 540 8.569 8.569 8.720 -0.151 19516 239 1 1 . 1 1 541 541 THR N N 541 102.711 102.711 113.882 -11.171 19516 240 1 1 . 1 1 541 541 THR HA H 541 4.688 4.688 4.620 0.068 19516 241 1 1 . 1 1 541 541 THR C C 541 175.793 175.793 172.990 2.803 19516 242 1 1 . 1 1 541 541 THR CA C 541 61.897 61.897 62.269 -0.372 19516 243 1 1 . 1 1 541 541 THR CB C 541 71.614 71.614 68.837 2.777 19516 244 1 1 . 1 1 541 541 THR H H 541 7.913 7.913 8.258 -0.345 19516 245 1 1 . 1 1 542 542 THR N N 542 115.756 115.756 117.716 -1.960 19516 246 1 1 . 1 1 542 542 THR HA H 542 5.196 5.196 4.512 0.684 19516 247 1 1 . 1 1 542 542 THR C C 542 170.174 170.174 172.494 -2.320 19516 248 1 1 . 1 1 542 542 THR CA C 542 61.241 61.241 61.961 -0.720 19516 249 1 1 . 1 1 542 542 THR CB C 542 72.559 72.559 70.075 2.484 19516 250 1 1 . 1 1 542 542 THR H H 542 8.164 8.164 8.138 0.026 19516 251 1 1 . 1 1 543 543 PHE N N 543 122.724 122.724 122.603 0.121 19516 252 1 1 . 1 1 543 543 PHE HA H 543 4.754 4.754 4.893 -0.139 19516 253 1 1 . 1 1 543 543 PHE C C 543 173.268 173.268 174.078 -0.810 19516 254 1 1 . 1 1 543 543 PHE CA C 543 57.809 57.809 57.308 0.501 19516 255 1 1 . 1 1 543 543 PHE CB C 543 41.077 41.077 40.330 0.747 19516 256 1 1 . 1 1 543 543 PHE H H 543 9.363 9.363 8.532 0.831 19516 257 1 1 . 1 1 544 544 ASP N N 544 128.063 128.063 128.030 0.033 19516 258 1 1 . 1 1 544 544 ASP HA H 544 6.057 6.057 4.917 1.140 19516 259 1 1 . 1 1 544 544 ASP C C 544 175.674 175.674 173.994 1.680 19516 260 1 1 . 1 1 544 544 ASP CA C 544 52.913 52.913 52.738 0.175 19516 261 1 1 . 1 1 544 544 ASP CB C 544 42.879 42.879 43.562 -0.683 19516 262 1 1 . 1 1 544 544 ASP H H 544 8.751 8.751 8.207 0.544 19516 263 1 1 . 1 1 545 545 PHE N N 545 114.137 114.137 118.145 -4.008 19516 264 1 1 . 1 1 545 545 PHE HA H 545 4.925 4.925 4.897 0.028 19516 265 1 1 . 1 1 545 545 PHE C C 545 171.897 171.897 173.374 -1.477 19516 266 1 1 . 1 1 545 545 PHE CA C 545 56.380 56.380 56.766 -0.385 19516 267 1 1 . 1 1 545 545 PHE CB C 545 41.371 41.371 41.384 -0.013 19516 268 1 1 . 1 1 545 545 PHE H H 545 8.662 8.662 7.913 0.749 19516 269 1 1 . 1 1 546 546 ASP N N 546 121.001 121.001 122.369 -1.368 19516 270 1 1 . 1 1 546 546 ASP HA H 546 5.019 5.019 4.903 0.116 19516 271 1 1 . 1 1 546 546 ASP C C 546 178.950 178.950 176.339 2.611 19516 272 1 1 . 1 1 546 546 ASP CA C 546 52.045 52.045 53.196 -1.151 19516 273 1 1 . 1 1 546 546 ASP CB C 546 43.129 43.129 43.535 -0.406 19516 274 1 1 . 1 1 546 546 ASP H H 546 9.219 9.219 8.706 0.513 19516 275 1 1 . 1 1 547 547 LEU N N 547 126.156 126.156 122.858 3.298 19516 276 1 1 . 1 1 547 547 LEU HA H 547 4.104 4.104 4.367 -0.263 19516 277 1 1 . 1 1 547 547 LEU C C 547 178.679 178.679 178.374 0.305 19516 278 1 1 . 1 1 547 547 LEU CA C 547 58.272 58.272 56.976 1.296 19516 279 1 1 . 1 1 547 547 LEU CB C 547 43.101 43.101 41.720 1.381 19516 280 1 1 . 1 1 547 547 LEU H H 547 8.623 8.623 8.691 -0.068 19516 281 1 1 . 1 1 548 548 CYS N N 548 113.743 113.743 115.629 -1.886 19516 282 1 1 . 1 1 548 548 CYS HA H 548 4.021 4.021 4.370 -0.349 19516 283 1 1 . 1 1 548 548 CYS C C 548 174.884 174.884 175.569 -0.685 19516 284 1 1 . 1 1 548 548 CYS CA C 548 61.823 61.823 60.255 1.568 19516 285 1 1 . 1 1 548 548 CYS CB C 548 27.228 27.228 27.024 0.204 19516 286 1 1 . 1 1 548 548 CYS H H 548 8.820 8.820 8.343 0.477 19516 287 1 1 . 1 1 549 549 SER N N 549 113.613 113.613 116.095 -2.482 19516 288 1 1 . 1 1 549 549 SER HA H 549 4.456 4.456 4.401 0.055 19516 289 1 1 . 1 1 549 549 SER C C 549 173.519 173.519 173.532 -0.013 19516 290 1 1 . 1 1 549 549 SER CA C 549 58.515 58.515 58.716 -0.201 19516 291 1 1 . 1 1 549 549 SER CB C 549 64.459 64.459 63.085 1.374 19516 292 1 1 . 1 1 549 549 SER H H 549 7.720 7.720 7.655 0.065 19516 293 1 1 . 1 1 550 550 LEU N N 550 118.126 118.126 123.150 -5.024 19516 294 1 1 . 1 1 550 550 LEU HA H 550 4.471 4.471 4.422 0.049 19516 295 1 1 . 1 1 550 550 LEU C C 550 176.903 176.903 176.082 0.821 19516 296 1 1 . 1 1 550 550 LEU CA C 550 53.498 53.498 55.279 -1.781 19516 297 1 1 . 1 1 550 550 LEU CB C 550 43.619 43.619 42.849 0.770 19516 298 1 1 . 1 1 550 550 LEU H H 550 6.779 6.779 7.323 -0.544 19516 299 1 1 . 1 1 551 551 ASP N N 551 121.893 121.893 120.926 0.967 19516 300 1 1 . 1 1 551 551 ASP HA H 551 4.665 4.665 4.781 -0.116 19516 301 1 1 . 1 1 551 551 ASP C C 551 176.382 176.382 177.358 -0.976 19516 302 1 1 . 1 1 551 551 ASP CA C 551 53.535 53.535 53.115 0.420 19516 303 1 1 . 1 1 551 551 ASP CB C 551 42.051 42.051 42.616 -0.565 19516 304 1 1 . 1 1 551 551 ASP H H 551 9.082 9.082 8.452 0.630 19516 305 1 1 . 1 1 552 552 LYS N N 552 121.414 121.414 123.309 -1.895 19516 306 1 1 . 1 1 552 552 LYS HA H 552 4.149 4.149 4.027 0.122 19516 307 1 1 . 1 1 552 552 LYS C C 552 179.021 179.021 178.559 0.462 19516 308 1 1 . 1 1 552 552 LYS CA C 552 60.233 60.233 60.855 -0.622 19516 309 1 1 . 1 1 552 552 LYS CB C 552 32.495 32.495 31.797 0.697 19516 310 1 1 . 1 1 552 552 LYS H H 552 8.601 8.601 8.854 -0.253 19516 311 1 1 . 1 1 553 553 THR N N 553 113.449 113.449 113.045 0.404 19516 312 1 1 . 1 1 553 553 THR HA H 553 3.910 3.910 4.223 -0.313 19516 313 1 1 . 1 1 553 553 THR C C 553 177.036 177.036 176.383 0.653 19516 314 1 1 . 1 1 553 553 THR CA C 553 66.065 66.065 65.636 0.429 19516 315 1 1 . 1 1 553 553 THR CB C 553 68.436 68.436 68.365 0.071 19516 316 1 1 . 1 1 553 553 THR H H 553 8.244 8.244 8.310 -0.066 19516 317 1 1 . 1 1 554 554 THR N N 554 120.799 120.799 118.124 2.675 19516 318 1 1 . 1 1 554 554 THR HA H 554 3.828 3.828 4.273 -0.445 19516 319 1 1 . 1 1 554 554 THR C C 554 176.156 176.156 176.014 0.142 19516 320 1 1 . 1 1 554 554 THR CA C 554 66.779 66.779 65.562 1.217 19516 321 1 1 . 1 1 554 554 THR CB C 554 67.976 67.976 69.016 -1.040 19516 322 1 1 . 1 1 554 554 THR H H 554 7.862 7.862 7.956 -0.094 19516 323 1 1 . 1 1 555 555 VAL N N 555 122.618 122.618 123.154 -0.536 19516 324 1 1 . 1 1 555 555 VAL HA H 555 3.366 3.366 3.681 -0.315 19516 325 1 1 . 1 1 555 555 VAL C C 555 177.296 177.296 177.334 -0.038 19516 326 1 1 . 1 1 555 555 VAL CA C 555 68.041 68.041 67.215 0.826 19516 327 1 1 . 1 1 555 555 VAL CB C 555 31.715 31.715 31.557 0.158 19516 328 1 1 . 1 1 555 555 VAL H H 555 7.970 7.970 8.685 -0.715 19516 329 1 1 . 1 1 556 556 ARG N N 556 118.700 118.700 118.654 0.046 19516 330 1 1 . 1 1 556 556 ARG HA H 556 4.420 4.420 4.299 0.121 19516 331 1 1 . 1 1 556 556 ARG C C 556 180.076 180.076 178.779 1.297 19516 332 1 1 . 1 1 556 556 ARG CA C 556 58.628 58.628 58.876 -0.248 19516 333 1 1 . 1 1 556 556 ARG CB C 556 29.147 29.147 29.953 -0.806 19516 334 1 1 . 1 1 556 556 ARG H H 556 8.342 8.342 7.678 0.664 19516 335 1 1 . 1 1 557 557 LYS N N 557 120.947 120.947 119.400 1.547 19516 336 1 1 . 1 1 557 557 LYS HA H 557 3.913 3.913 4.108 -0.195 19516 337 1 1 . 1 1 557 557 LYS C C 557 178.774 178.774 178.750 0.024 19516 338 1 1 . 1 1 557 557 LYS CA C 557 59.270 59.270 58.722 0.548 19516 339 1 1 . 1 1 557 557 LYS CB C 557 32.075 32.075 32.340 -0.265 19516 340 1 1 . 1 1 557 557 LYS H H 557 7.670 7.670 7.547 0.123 19516 341 1 1 . 1 1 558 558 LEU N N 558 120.582 120.582 122.209 -1.627 19516 342 1 1 . 1 1 558 558 LEU HA H 558 3.704 3.704 4.281 -0.577 19516 343 1 1 . 1 1 558 558 LEU C C 558 178.702 178.702 178.633 0.069 19516 344 1 1 . 1 1 558 558 LEU CA C 558 58.682 58.682 58.006 0.676 19516 345 1 1 . 1 1 558 558 LEU CB C 558 42.744 42.744 41.559 1.185 19516 346 1 1 . 1 1 558 558 LEU H H 558 8.166 8.166 8.084 0.082 19516 347 1 1 . 1 1 559 559 GLN N N 559 115.514 115.514 116.705 -1.191 19516 348 1 1 . 1 1 559 559 GLN HA H 559 3.869 3.869 4.015 -0.146 19516 349 1 1 . 1 1 559 559 GLN C C 559 179.502 179.502 178.475 1.027 19516 350 1 1 . 1 1 559 559 GLN CA C 559 59.568 59.568 58.959 0.609 19516 351 1 1 . 1 1 559 559 GLN CB C 559 28.527 28.527 28.394 0.133 19516 352 1 1 . 1 1 559 559 GLN H H 559 8.441 8.441 8.521 -0.080 19516 353 1 1 . 1 1 560 560 SER N N 560 115.703 115.703 115.577 0.126 19516 354 1 1 . 1 1 560 560 SER HA H 560 4.310 4.310 4.188 0.122 19516 355 1 1 . 1 1 560 560 SER C C 560 176.997 176.997 175.705 1.292 19516 356 1 1 . 1 1 560 560 SER CA C 560 61.535 61.535 60.771 0.764 19516 357 1 1 . 1 1 560 560 SER CB C 560 62.810 62.810 62.602 0.207 19516 358 1 1 . 1 1 560 560 SER H H 560 7.883 7.883 7.495 0.388 19516 359 1 1 . 1 1 561 561 TYR N N 561 121.470 121.470 119.702 1.768 19516 360 1 1 . 1 1 561 561 TYR HA H 561 4.667 4.667 4.110 0.557 19516 361 1 1 . 1 1 561 561 TYR C C 561 178.019 178.019 178.172 -0.153 19516 362 1 1 . 1 1 561 561 TYR CA C 561 57.854 57.854 61.386 -3.532 19516 363 1 1 . 1 1 561 561 TYR CB C 561 36.842 36.842 38.200 -1.359 19516 364 1 1 . 1 1 561 561 TYR H H 561 7.856 7.856 7.364 0.492 19516 365 1 1 . 1 1 562 562 LEU N N 562 117.382 117.382 117.315 0.067 19516 366 1 1 . 1 1 562 562 LEU HA H 562 4.233 4.233 4.097 0.136 19516 367 1 1 . 1 1 562 562 LEU C C 562 178.086 178.086 179.374 -1.288 19516 368 1 1 . 1 1 562 562 LEU CA C 562 55.989 55.989 57.387 -1.398 19516 369 1 1 . 1 1 562 562 LEU CB C 562 41.606 41.606 41.800 -0.194 19516 370 1 1 . 1 1 562 562 LEU H H 562 7.618 7.618 7.578 0.040 19516 371 1 1 . 1 1 563 563 GLU N N 563 119.602 119.602 117.996 1.606 19516 372 1 1 . 1 1 563 563 GLU HA H 563 4.313 4.313 4.360 -0.047 19516 373 1 1 . 1 1 563 563 GLU C C 563 177.407 177.407 176.795 0.612 19516 374 1 1 . 1 1 563 563 GLU CA C 563 57.577 57.577 55.739 1.838 19516 375 1 1 . 1 1 563 563 GLU CB C 563 30.072 30.072 27.556 2.516 19516 376 1 1 . 1 1 563 563 GLU H H 563 7.724 7.724 7.704 0.020 19516 377 1 1 . 1 1 564 564 THR N N 564 112.400 112.400 114.893 -2.493 19516 378 1 1 . 1 1 564 564 THR HA H 564 4.416 4.416 4.101 0.315 19516 379 1 1 . 1 1 564 564 THR C C 564 174.998 174.998 174.539 0.459 19516 380 1 1 . 1 1 564 564 THR CA C 564 62.021 62.021 63.083 -1.062 19516 381 1 1 . 1 1 564 564 THR CB C 564 69.690 69.690 69.594 0.096 19516 382 1 1 . 1 1 564 564 THR H H 564 8.019 8.019 7.789 0.230 19516 383 1 1 . 1 1 565 565 SER N N 565 117.680 117.680 113.813 3.867 19516 384 1 1 . 1 1 565 565 SER HA H 565 4.463 4.463 5.031 -0.568 19516 385 1 1 . 1 1 565 565 SER C C 565 175.109 175.109 172.833 2.276 19516 386 1 1 . 1 1 565 565 SER CA C 565 58.814 58.814 57.426 1.388 19516 387 1 1 . 1 1 565 565 SER CB C 565 63.945 63.945 63.921 0.024 19516 388 1 1 . 1 1 565 565 SER H H 565 8.136 8.136 8.897 -0.761 19516 389 1 1 . 1 1 566 566 GLY N N 566 111.023 111.023 110.601 0.422 19516 390 1 1 . 1 1 566 566 GLY C C 566 174.384 174.384 173.444 0.940 19516 391 1 1 . 1 1 566 566 GLY CA C 566 45.575 45.575 45.741 -0.166 19516 392 1 1 . 1 1 566 566 GLY H H 566 8.510 8.510 8.290 0.220 19516 393 1 1 . 1 1 567 567 THR N N 567 113.077 113.077 114.629 -1.552 19516 394 1 1 . 1 1 567 567 THR HA H 567 4.405 4.405 4.538 -0.133 19516 395 1 1 . 1 1 567 567 THR C C 567 173.995 173.995 174.592 -0.597 19516 396 1 1 . 1 1 567 567 THR CA C 567 61.713 61.713 62.366 -0.653 19516 397 1 1 . 1 1 567 567 THR CB C 567 70.013 70.013 68.577 1.436 19516 398 1 1 . 1 1 567 567 THR H H 567 8.061 8.061 8.099 -0.038 19516 399 1 2 . 1 1 501 501 LYS N N 501 125.415 125.415 120.250 5.165 19516 400 1 2 . 1 1 501 501 LYS HA H 501 4.007 4.007 4.298 -0.291 19516 401 1 2 . 1 1 501 501 LYS C C 501 177.113 177.113 178.194 -1.081 19516 402 1 2 . 1 1 501 501 LYS CA C 501 59.115 59.115 56.664 2.451 19516 403 1 2 . 1 1 501 501 LYS CB C 501 32.793 32.793 32.403 0.390 19516 404 1 2 . 1 1 501 501 LYS H H 501 8.677 8.677 8.438 0.239 19516 405 1 2 . 1 1 502 502 ALA N N 502 120.718 120.718 123.109 -2.391 19516 406 1 2 . 1 1 502 502 ALA HA H 502 4.240 4.240 4.148 0.092 19516 407 1 2 . 1 1 502 502 ALA C C 502 180.345 180.345 179.106 1.239 19516 408 1 2 . 1 1 502 502 ALA CA C 502 54.738 54.738 54.766 -0.028 19516 409 1 2 . 1 1 502 502 ALA CB C 502 18.172 18.172 18.173 -0.001 19516 410 1 2 . 1 1 502 502 ALA H H 502 8.382 8.382 8.182 0.200 19516 411 1 2 . 1 1 503 503 TYR N N 503 120.200 120.200 119.872 0.328 19516 412 1 2 . 1 1 503 503 TYR HA H 503 4.543 4.543 4.100 0.443 19516 413 1 2 . 1 1 503 503 TYR C C 503 177.235 177.235 177.575 -0.340 19516 414 1 2 . 1 1 503 503 TYR CA C 503 60.020 60.020 61.327 -1.307 19516 415 1 2 . 1 1 503 503 TYR CB C 503 38.707 38.707 38.337 0.370 19516 416 1 2 . 1 1 503 503 TYR H H 503 7.817 7.817 7.854 -0.037 19516 417 1 2 . 1 1 504 504 LEU N N 504 120.133 120.133 118.132 2.001 19516 418 1 2 . 1 1 504 504 LEU HA H 504 3.857 3.857 3.734 0.123 19516 419 1 2 . 1 1 504 504 LEU C C 504 178.616 178.616 179.025 -0.409 19516 420 1 2 . 1 1 504 504 LEU CA C 504 58.200 58.200 58.330 -0.130 19516 421 1 2 . 1 1 504 504 LEU CB C 504 41.066 41.066 41.301 -0.235 19516 422 1 2 . 1 1 504 504 LEU H H 504 8.175 8.175 8.188 -0.013 19516 423 1 2 . 1 1 505 505 ASP N N 505 117.709 117.709 118.318 -0.609 19516 424 1 2 . 1 1 505 505 ASP HA H 505 4.307 4.307 4.216 0.091 19516 425 1 2 . 1 1 505 505 ASP C C 505 179.849 179.849 178.379 1.470 19516 426 1 2 . 1 1 505 505 ASP CA C 505 57.578 57.578 57.526 0.052 19516 427 1 2 . 1 1 505 505 ASP CB C 505 39.811 39.811 40.610 -0.799 19516 428 1 2 . 1 1 505 505 ASP H H 505 8.308 8.308 7.930 0.378 19516 429 1 2 . 1 1 506 506 GLU N N 506 121.244 121.244 118.093 3.151 19516 430 1 2 . 1 1 506 506 GLU HA H 506 4.038 4.038 4.032 0.006 19516 431 1 2 . 1 1 506 506 GLU C C 506 179.957 179.957 178.857 1.100 19516 432 1 2 . 1 1 506 506 GLU CA C 506 59.786 59.786 58.601 1.185 19516 433 1 2 . 1 1 506 506 GLU CB C 506 29.644 29.644 29.506 0.138 19516 434 1 2 . 1 1 506 506 GLU H H 506 7.657 7.657 7.809 -0.152 19516 435 1 2 . 1 1 507 507 LEU N N 507 121.550 121.550 119.353 2.197 19516 436 1 2 . 1 1 507 507 LEU HA H 507 3.860 3.860 4.112 -0.252 19516 437 1 2 . 1 1 507 507 LEU C C 507 178.973 178.973 178.682 0.291 19516 438 1 2 . 1 1 507 507 LEU CA C 507 57.925 57.925 57.349 0.576 19516 439 1 2 . 1 1 507 507 LEU CB C 507 41.882 41.882 41.717 0.165 19516 440 1 2 . 1 1 507 507 LEU H H 507 8.255 8.255 7.956 0.299 19516 441 1 2 . 1 1 508 508 VAL N N 508 121.174 121.174 121.042 0.132 19516 442 1 2 . 1 1 508 508 VAL HA H 508 3.522 3.522 3.530 -0.008 19516 443 1 2 . 1 1 508 508 VAL C C 508 178.831 178.831 177.976 0.855 19516 444 1 2 . 1 1 508 508 VAL CA C 508 67.098 67.098 67.689 -0.591 19516 445 1 2 . 1 1 508 508 VAL CB C 508 31.988 31.988 31.066 0.922 19516 446 1 2 . 1 1 508 508 VAL H H 508 8.679 8.679 8.310 0.369 19516 447 1 2 . 1 1 509 509 GLU N N 509 120.516 120.516 119.340 1.176 19516 448 1 2 . 1 1 509 509 GLU HA H 509 4.286 4.286 3.912 0.374 19516 449 1 2 . 1 1 509 509 GLU C C 509 178.354 178.354 179.257 -0.903 19516 450 1 2 . 1 1 509 509 GLU CA C 509 58.837 58.837 59.618 -0.781 19516 451 1 2 . 1 1 509 509 GLU CB C 509 28.859 28.859 29.296 -0.437 19516 452 1 2 . 1 1 509 509 GLU H H 509 7.534 7.534 7.845 -0.311 19516 453 1 2 . 1 1 510 510 LEU N N 510 121.442 121.442 120.033 1.409 19516 454 1 2 . 1 1 510 510 LEU HA H 510 4.141 4.141 3.951 0.190 19516 455 1 2 . 1 1 510 510 LEU C C 510 177.961 177.961 178.776 -0.815 19516 456 1 2 . 1 1 510 510 LEU CA C 510 57.722 57.722 58.365 -0.643 19516 457 1 2 . 1 1 510 510 LEU CB C 510 41.776 41.776 41.687 0.089 19516 458 1 2 . 1 1 510 510 LEU H H 510 8.018 8.018 7.518 0.500 19516 459 1 2 . 1 1 511 511 HIS N N 511 119.858 119.858 118.442 1.416 19516 460 1 2 . 1 1 511 511 HIS HA H 511 3.708 3.708 4.030 -0.322 19516 461 1 2 . 1 1 511 511 HIS C C 511 176.325 176.325 177.197 -0.872 19516 462 1 2 . 1 1 511 511 HIS CA C 511 62.252 62.252 60.464 1.788 19516 463 1 2 . 1 1 511 511 HIS CB C 511 31.459 31.459 29.754 1.705 19516 464 1 2 . 1 1 511 511 HIS H H 511 9.028 9.028 8.785 0.243 19516 465 1 2 . 1 1 512 512 ARG N N 512 117.523 117.523 119.090 -1.567 19516 466 1 2 . 1 1 512 512 ARG HA H 512 3.859 3.859 3.842 0.017 19516 467 1 2 . 1 1 512 512 ARG C C 512 179.801 179.801 178.807 0.994 19516 468 1 2 . 1 1 512 512 ARG CA C 512 59.584 59.584 59.323 0.261 19516 469 1 2 . 1 1 512 512 ARG CB C 512 30.154 30.154 29.937 0.217 19516 470 1 2 . 1 1 512 512 ARG H H 512 7.942 7.942 8.662 -0.721 19516 471 1 2 . 1 1 513 513 ARG N N 513 117.870 117.870 119.354 -1.484 19516 472 1 2 . 1 1 513 513 ARG HA H 513 4.041 4.041 4.008 0.033 19516 473 1 2 . 1 1 513 513 ARG C C 513 179.852 179.852 179.134 0.718 19516 474 1 2 . 1 1 513 513 ARG CA C 513 58.766 58.766 59.386 -0.620 19516 475 1 2 . 1 1 513 513 ARG CB C 513 30.582 30.582 30.007 0.575 19516 476 1 2 . 1 1 513 513 ARG H H 513 7.845 7.845 8.407 -0.562 19516 477 1 2 . 1 1 514 514 LEU N N 514 119.343 119.343 120.210 -0.867 19516 478 1 2 . 1 1 514 514 LEU HA H 514 4.031 4.031 3.971 0.060 19516 479 1 2 . 1 1 514 514 LEU C C 514 178.922 178.922 177.939 0.983 19516 480 1 2 . 1 1 514 514 LEU CA C 514 57.671 57.671 57.805 -0.134 19516 481 1 2 . 1 1 514 514 LEU CB C 514 41.926 41.926 41.949 -0.023 19516 482 1 2 . 1 1 514 514 LEU H H 514 8.753 8.753 8.312 0.441 19516 483 1 2 . 1 1 515 515 MET N N 515 115.167 115.167 116.591 -1.424 19516 484 1 2 . 1 1 515 515 MET HA H 515 4.397 4.397 4.049 0.348 19516 485 1 2 . 1 1 515 515 MET C C 515 177.921 177.921 177.957 -0.036 19516 486 1 2 . 1 1 515 515 MET CA C 515 56.895 56.895 57.921 -1.026 19516 487 1 2 . 1 1 515 515 MET CB C 515 31.659 31.659 33.137 -1.478 19516 488 1 2 . 1 1 515 515 MET H H 515 7.810 7.810 7.983 -0.173 19516 489 1 2 . 1 1 516 516 THR N N 516 106.551 106.551 108.983 -2.432 19516 490 1 2 . 1 1 516 516 THR HA H 516 4.441 4.441 4.250 0.191 19516 491 1 2 . 1 1 516 516 THR C C 516 174.390 174.390 175.285 -0.895 19516 492 1 2 . 1 1 516 516 THR CA C 516 61.133 61.133 62.258 -1.125 19516 493 1 2 . 1 1 516 516 THR CB C 516 69.787 69.787 69.668 0.119 19516 494 1 2 . 1 1 516 516 THR H H 516 7.269 7.269 7.589 -0.320 19516 495 1 2 . 1 1 517 517 LEU N N 517 123.805 123.805 123.177 0.628 19516 496 1 2 . 1 1 517 517 LEU HA H 517 4.283 4.283 4.169 0.114 19516 497 1 2 . 1 1 517 517 LEU C C 517 177.241 177.241 176.300 0.941 19516 498 1 2 . 1 1 517 517 LEU CA C 517 56.137 56.137 56.271 -0.134 19516 499 1 2 . 1 1 517 517 LEU CB C 517 42.974 42.974 42.598 0.376 19516 500 1 2 . 1 1 517 517 LEU H H 517 7.036 7.036 7.651 -0.615 19516 501 1 2 . 1 1 518 518 ARG N N 518 122.669 122.669 124.188 -1.519 19516 502 1 2 . 1 1 518 518 ARG HA H 518 4.598 4.598 4.355 0.243 19516 503 1 2 . 1 1 518 518 ARG C C 518 175.915 175.915 175.491 0.424 19516 504 1 2 . 1 1 518 518 ARG CA C 518 54.831 54.831 55.929 -1.098 19516 505 1 2 . 1 1 518 518 ARG CB C 518 32.442 32.442 31.074 1.368 19516 506 1 2 . 1 1 518 518 ARG H H 518 9.040 9.040 8.309 0.731 19516 507 1 2 . 1 1 519 519 GLU N N 519 121.385 121.385 121.099 0.286 19516 508 1 2 . 1 1 519 519 GLU HA H 519 4.295 4.295 4.314 -0.019 19516 509 1 2 . 1 1 519 519 GLU C C 519 177.016 177.016 177.245 -0.229 19516 510 1 2 . 1 1 519 519 GLU CA C 519 57.380 57.380 55.481 1.899 19516 511 1 2 . 1 1 519 519 GLU CB C 519 30.017 30.017 28.680 1.337 19516 512 1 2 . 1 1 519 519 GLU H H 519 7.172 7.172 8.182 -1.010 19516 513 1 2 . 1 1 520 520 ARG N N 520 128.171 128.171 126.010 2.161 19516 514 1 2 . 1 1 520 520 ARG HA H 520 3.811 3.811 3.883 -0.072 19516 515 1 2 . 1 1 520 520 ARG C C 520 177.930 177.930 177.728 0.202 19516 516 1 2 . 1 1 520 520 ARG CA C 520 60.867 60.867 59.665 1.202 19516 517 1 2 . 1 1 520 520 ARG CB C 520 30.187 30.187 29.669 0.518 19516 518 1 2 . 1 1 520 520 ARG H H 520 8.918 8.918 8.135 0.783 19516 519 1 2 . 1 1 521 521 HIS N N 521 116.808 116.808 119.278 -2.470 19516 520 1 2 . 1 1 521 521 HIS HA H 521 4.402 4.402 4.317 0.085 19516 521 1 2 . 1 1 521 521 HIS C C 521 177.637 177.637 177.367 0.270 19516 522 1 2 . 1 1 521 521 HIS CA C 521 59.645 59.645 58.932 0.713 19516 523 1 2 . 1 1 521 521 HIS CB C 521 28.425 28.425 29.436 -1.011 19516 524 1 2 . 1 1 521 521 HIS H H 521 9.073 9.073 8.103 0.970 19516 525 1 2 . 1 1 522 522 ILE N N 522 119.592 119.592 119.906 -0.314 19516 526 1 2 . 1 1 522 522 ILE HA H 522 3.896 3.896 3.836 0.060 19516 527 1 2 . 1 1 522 522 ILE C C 522 177.866 177.866 177.599 0.267 19516 528 1 2 . 1 1 522 522 ILE CA C 522 63.397 63.397 63.090 0.306 19516 529 1 2 . 1 1 522 522 ILE CB C 522 37.650 37.650 37.848 -0.198 19516 530 1 2 . 1 1 522 522 ILE H H 522 7.088 7.088 8.312 -1.224 19516 531 1 2 . 1 1 523 523 LEU N N 523 119.719 119.719 119.273 0.446 19516 532 1 2 . 1 1 523 523 LEU HA H 523 3.819 3.819 3.755 0.064 19516 533 1 2 . 1 1 523 523 LEU C C 523 178.379 178.379 179.471 -1.092 19516 534 1 2 . 1 1 523 523 LEU CA C 523 58.386 58.386 57.957 0.429 19516 535 1 2 . 1 1 523 523 LEU CB C 523 41.318 41.318 40.714 0.604 19516 536 1 2 . 1 1 523 523 LEU H H 523 7.905 7.905 7.589 0.316 19516 537 1 2 . 1 1 524 524 GLN N N 524 116.700 116.700 117.089 -0.389 19516 538 1 2 . 1 1 524 524 GLN HA H 524 3.552 3.552 3.942 -0.390 19516 539 1 2 . 1 1 524 524 GLN C C 524 177.441 177.441 178.472 -1.031 19516 540 1 2 . 1 1 524 524 GLN CA C 524 58.259 58.259 58.846 -0.587 19516 541 1 2 . 1 1 524 524 GLN CB C 524 29.097 29.097 28.397 0.700 19516 542 1 2 . 1 1 524 524 GLN H H 524 8.265 8.265 8.102 0.163 19516 543 1 2 . 1 1 525 525 GLN N N 525 117.608 117.608 118.854 -1.246 19516 544 1 2 . 1 1 525 525 GLN HA H 525 3.777 3.777 3.814 -0.037 19516 545 1 2 . 1 1 525 525 GLN C C 525 179.278 179.278 178.335 0.943 19516 546 1 2 . 1 1 525 525 GLN CA C 525 58.986 58.986 58.407 0.579 19516 547 1 2 . 1 1 525 525 GLN CB C 525 28.545 28.545 27.728 0.817 19516 548 1 2 . 1 1 525 525 GLN H H 525 7.300 7.300 7.353 -0.053 19516 549 1 2 . 1 1 526 526 ILE N N 526 119.883 119.883 119.897 -0.014 19516 550 1 2 . 1 1 526 526 ILE HA H 526 3.434 3.434 3.369 0.065 19516 551 1 2 . 1 1 526 526 ILE C C 526 176.638 176.638 177.645 -1.007 19516 552 1 2 . 1 1 526 526 ILE CA C 526 66.116 66.116 65.272 0.844 19516 553 1 2 . 1 1 526 526 ILE CB C 526 37.581 37.581 37.622 -0.041 19516 554 1 2 . 1 1 526 526 ILE H H 526 8.039 8.039 8.157 -0.118 19516 555 1 2 . 1 1 527 527 VAL N N 527 119.535 119.535 118.884 0.651 19516 556 1 2 . 1 1 527 527 VAL HA H 527 2.791 2.791 2.930 -0.139 19516 557 1 2 . 1 1 527 527 VAL C C 527 176.957 176.957 177.596 -0.639 19516 558 1 2 . 1 1 527 527 VAL CA C 527 66.371 66.371 66.394 -0.022 19516 559 1 2 . 1 1 527 527 VAL CB C 527 30.623 30.623 30.543 0.080 19516 560 1 2 . 1 1 527 527 VAL H H 527 8.052 8.052 7.380 0.672 19516 561 1 2 . 1 1 528 528 ASN N N 528 117.957 117.957 116.289 1.668 19516 562 1 2 . 1 1 528 528 ASN HA H 528 4.138 4.138 4.253 -0.115 19516 563 1 2 . 1 1 528 528 ASN C C 528 178.148 178.148 177.660 0.488 19516 564 1 2 . 1 1 528 528 ASN CA C 528 55.696 55.696 55.658 0.038 19516 565 1 2 . 1 1 528 528 ASN CB C 528 37.192 37.192 38.528 -1.336 19516 566 1 2 . 1 1 528 528 ASN H H 528 8.172 8.172 7.589 0.583 19516 567 1 2 . 1 1 529 529 LEU N N 529 120.654 120.654 121.407 -0.753 19516 568 1 2 . 1 1 529 529 LEU HA H 529 4.166 4.166 4.288 -0.122 19516 569 1 2 . 1 1 529 529 LEU C C 529 178.908 178.908 179.113 -0.205 19516 570 1 2 . 1 1 529 529 LEU CA C 529 57.870 57.870 57.776 0.094 19516 571 1 2 . 1 1 529 529 LEU CB C 529 42.512 42.512 41.589 0.923 19516 572 1 2 . 1 1 529 529 LEU H H 529 7.666 7.666 7.852 -0.186 19516 573 1 2 . 1 1 530 530 ILE N N 530 117.213 117.213 117.003 0.210 19516 574 1 2 . 1 1 530 530 ILE HA H 530 3.677 3.677 3.964 -0.287 19516 575 1 2 . 1 1 530 530 ILE C C 530 180.762 180.762 178.166 2.596 19516 576 1 2 . 1 1 530 530 ILE CA C 530 61.592 61.592 64.138 -2.546 19516 577 1 2 . 1 1 530 530 ILE CB C 530 34.726 34.726 37.416 -2.690 19516 578 1 2 . 1 1 530 530 ILE H H 530 8.543 8.543 7.908 0.635 19516 579 1 2 . 1 1 531 531 GLU N N 531 124.050 124.050 120.621 3.429 19516 580 1 2 . 1 1 531 531 GLU HA H 531 3.940 3.940 3.686 0.254 19516 581 1 2 . 1 1 531 531 GLU C C 531 178.698 178.698 179.182 -0.484 19516 582 1 2 . 1 1 531 531 GLU CA C 531 59.763 59.763 59.752 0.011 19516 583 1 2 . 1 1 531 531 GLU CB C 531 27.691 27.691 28.799 -1.108 19516 584 1 2 . 1 1 531 531 GLU H H 531 9.276 9.276 8.311 0.965 19516 585 1 2 . 1 1 532 532 GLU N N 532 116.396 116.396 117.433 -1.037 19516 586 1 2 . 1 1 532 532 GLU HA H 532 3.995 3.995 4.131 -0.136 19516 587 1 2 . 1 1 532 532 GLU C C 532 178.030 178.030 178.702 -0.672 19516 588 1 2 . 1 1 532 532 GLU CA C 532 58.903 58.903 58.682 0.221 19516 589 1 2 . 1 1 532 532 GLU CB C 532 29.666 29.666 29.572 0.094 19516 590 1 2 . 1 1 532 532 GLU H H 532 7.003 7.003 7.727 -0.724 19516 591 1 2 . 1 1 533 533 THR N N 533 107.227 107.227 110.189 -2.962 19516 592 1 2 . 1 1 533 533 THR HA H 533 4.328 4.328 4.289 0.039 19516 593 1 2 . 1 1 533 533 THR C C 533 176.559 176.559 175.879 0.680 19516 594 1 2 . 1 1 533 533 THR CA C 533 63.112 63.112 63.230 -0.118 19516 595 1 2 . 1 1 533 533 THR CB C 533 71.513 71.513 70.275 1.238 19516 596 1 2 . 1 1 533 533 THR H H 533 7.611 7.611 7.935 -0.324 19516 597 1 2 . 1 1 534 534 GLY N N 534 106.448 106.448 110.674 -4.226 19516 598 1 2 . 1 1 534 534 GLY C C 534 174.199 174.199 172.688 1.511 19516 599 1 2 . 1 1 534 534 GLY CA C 534 45.527 45.527 44.939 0.588 19516 600 1 2 . 1 1 534 534 GLY H H 534 7.618 7.618 8.272 -0.654 19516 601 1 2 . 1 1 535 535 HIS N N 535 121.292 121.292 116.249 5.043 19516 602 1 2 . 1 1 535 535 HIS HA H 535 4.909 4.909 4.239 0.670 19516 603 1 2 . 1 1 535 535 HIS C C 535 172.641 172.641 173.393 -0.752 19516 604 1 2 . 1 1 535 535 HIS CA C 535 53.806 53.806 56.581 -2.775 19516 605 1 2 . 1 1 535 535 HIS CB C 535 27.013 27.013 28.212 -1.199 19516 606 1 2 . 1 1 535 535 HIS H H 535 8.430 8.430 8.006 0.424 19516 607 1 2 . 1 1 536 536 PHE N N 536 115.908 115.908 113.563 2.345 19516 608 1 2 . 1 1 536 536 PHE HA H 536 5.282 5.282 4.572 0.710 19516 609 1 2 . 1 1 536 536 PHE C C 536 173.438 173.438 174.153 -0.715 19516 610 1 2 . 1 1 536 536 PHE CA C 536 55.736 55.736 56.548 -0.812 19516 611 1 2 . 1 1 536 536 PHE CB C 536 42.099 42.099 42.050 0.049 19516 612 1 2 . 1 1 536 536 PHE H H 536 7.173 7.173 6.967 0.206 19516 613 1 2 . 1 1 537 537 HIS N N 537 117.767 117.767 120.445 -2.678 19516 614 1 2 . 1 1 537 537 HIS HA H 537 4.667 4.667 4.970 -0.303 19516 615 1 2 . 1 1 537 537 HIS C C 537 172.182 172.182 174.303 -2.121 19516 616 1 2 . 1 1 537 537 HIS CA C 537 55.264 55.264 55.221 0.043 19516 617 1 2 . 1 1 537 537 HIS CB C 537 32.118 32.118 30.189 1.929 19516 618 1 2 . 1 1 537 537 HIS H H 537 9.185 9.185 8.456 0.729 19516 619 1 2 . 1 1 538 538 ILE N N 538 123.861 123.861 125.329 -1.468 19516 620 1 2 . 1 1 538 538 ILE HA H 538 4.986 4.986 4.524 0.462 19516 621 1 2 . 1 1 538 538 ILE C C 538 176.686 176.686 176.284 0.402 19516 622 1 2 . 1 1 538 538 ILE CA C 538 60.271 60.271 61.663 -1.393 19516 623 1 2 . 1 1 538 538 ILE CB C 538 39.400 39.400 39.415 -0.015 19516 624 1 2 . 1 1 538 538 ILE H H 538 8.649 8.649 8.880 -0.231 19516 625 1 2 . 1 1 539 539 THR N N 539 119.438 119.438 122.763 -3.325 19516 626 1 2 . 1 1 539 539 THR HA H 539 4.726 4.726 4.659 0.067 19516 627 1 2 . 1 1 539 539 THR C C 539 173.788 173.788 174.003 -0.215 19516 628 1 2 . 1 1 539 539 THR CA C 539 60.256 60.256 60.343 -0.087 19516 629 1 2 . 1 1 539 539 THR CB C 539 70.391 70.391 70.575 -0.184 19516 630 1 2 . 1 1 539 539 THR H H 539 9.118 9.118 8.450 0.668 19516 631 1 2 . 1 1 540 540 ASN N N 540 114.191 114.191 119.339 -5.148 19516 632 1 2 . 1 1 540 540 ASN HA H 540 4.542 4.542 4.467 0.075 19516 633 1 2 . 1 1 540 540 ASN C C 540 176.815 176.815 174.477 2.338 19516 634 1 2 . 1 1 540 540 ASN CA C 540 56.202 56.202 55.483 0.719 19516 635 1 2 . 1 1 540 540 ASN CB C 540 38.371 38.371 38.046 0.325 19516 636 1 2 . 1 1 540 540 ASN H H 540 8.569 8.569 8.754 -0.185 19516 637 1 2 . 1 1 541 541 THR N N 541 102.711 102.711 111.903 -9.192 19516 638 1 2 . 1 1 541 541 THR HA H 541 4.688 4.688 4.778 -0.090 19516 639 1 2 . 1 1 541 541 THR C C 541 175.793 175.793 173.237 2.556 19516 640 1 2 . 1 1 541 541 THR CA C 541 61.897 61.897 61.875 0.022 19516 641 1 2 . 1 1 541 541 THR CB C 541 71.614 71.614 69.457 2.157 19516 642 1 2 . 1 1 541 541 THR H H 541 7.913 7.913 8.035 -0.122 19516 643 1 2 . 1 1 542 542 THR N N 542 115.756 115.756 115.668 0.088 19516 644 1 2 . 1 1 542 542 THR HA H 542 5.196 5.196 4.532 0.664 19516 645 1 2 . 1 1 542 542 THR C C 542 170.174 170.174 172.231 -2.057 19516 646 1 2 . 1 1 542 542 THR CA C 542 61.241 61.241 62.112 -0.871 19516 647 1 2 . 1 1 542 542 THR CB C 542 72.559 72.559 70.423 2.136 19516 648 1 2 . 1 1 542 542 THR H H 542 8.164 8.164 8.119 0.045 19516 649 1 2 . 1 1 543 543 PHE N N 543 122.724 122.724 122.464 0.260 19516 650 1 2 . 1 1 543 543 PHE HA H 543 4.754 4.754 4.881 -0.127 19516 651 1 2 . 1 1 543 543 PHE C C 543 173.268 173.268 173.924 -0.656 19516 652 1 2 . 1 1 543 543 PHE CA C 543 57.809 57.809 56.982 0.827 19516 653 1 2 . 1 1 543 543 PHE CB C 543 41.077 41.077 40.346 0.731 19516 654 1 2 . 1 1 543 543 PHE H H 543 9.363 9.363 8.505 0.858 19516 655 1 2 . 1 1 544 544 ASP N N 544 128.063 128.063 128.465 -0.402 19516 656 1 2 . 1 1 544 544 ASP HA H 544 6.057 6.057 4.859 1.198 19516 657 1 2 . 1 1 544 544 ASP C C 544 175.674 175.674 174.157 1.517 19516 658 1 2 . 1 1 544 544 ASP CA C 544 52.913 52.913 53.215 -0.303 19516 659 1 2 . 1 1 544 544 ASP CB C 544 42.879 42.879 42.886 -0.007 19516 660 1 2 . 1 1 544 544 ASP H H 544 8.751 8.751 8.326 0.425 19516 661 1 2 . 1 1 545 545 PHE N N 545 114.137 114.137 117.562 -3.425 19516 662 1 2 . 1 1 545 545 PHE HA H 545 4.925 4.925 4.734 0.191 19516 663 1 2 . 1 1 545 545 PHE C C 545 171.897 171.897 173.635 -1.738 19516 664 1 2 . 1 1 545 545 PHE CA C 545 56.380 56.380 56.089 0.291 19516 665 1 2 . 1 1 545 545 PHE CB C 545 41.371 41.371 41.408 -0.037 19516 666 1 2 . 1 1 545 545 PHE H H 545 8.662 8.662 7.898 0.764 19516 667 1 2 . 1 1 546 546 ASP N N 546 121.001 121.001 120.817 0.184 19516 668 1 2 . 1 1 546 546 ASP HA H 546 5.019 5.019 4.652 0.367 19516 669 1 2 . 1 1 546 546 ASP C C 546 178.950 178.950 176.792 2.158 19516 670 1 2 . 1 1 546 546 ASP CA C 546 52.045 52.045 52.773 -0.728 19516 671 1 2 . 1 1 546 546 ASP CB C 546 43.129 43.129 42.389 0.740 19516 672 1 2 . 1 1 546 546 ASP H H 546 9.219 9.219 8.715 0.504 19516 673 1 2 . 1 1 547 547 LEU N N 547 126.156 126.156 120.829 5.327 19516 674 1 2 . 1 1 547 547 LEU HA H 547 4.104 4.104 4.373 -0.269 19516 675 1 2 . 1 1 547 547 LEU C C 547 178.679 178.679 178.419 0.260 19516 676 1 2 . 1 1 547 547 LEU CA C 547 58.272 58.272 56.495 1.777 19516 677 1 2 . 1 1 547 547 LEU CB C 547 43.101 43.101 41.542 1.558 19516 678 1 2 . 1 1 547 547 LEU H H 547 8.623 8.623 8.697 -0.074 19516 679 1 2 . 1 1 548 548 CYS N N 548 113.743 113.743 116.569 -2.826 19516 680 1 2 . 1 1 548 548 CYS HA H 548 4.021 4.021 4.444 -0.423 19516 681 1 2 . 1 1 548 548 CYS C C 548 174.884 174.884 175.584 -0.700 19516 682 1 2 . 1 1 548 548 CYS CA C 548 61.823 61.823 59.738 2.085 19516 683 1 2 . 1 1 548 548 CYS CB C 548 27.228 27.228 26.283 0.945 19516 684 1 2 . 1 1 548 548 CYS H H 548 8.820 8.820 8.093 0.727 19516 685 1 2 . 1 1 549 549 SER N N 549 113.613 113.613 115.592 -1.979 19516 686 1 2 . 1 1 549 549 SER HA H 549 4.456 4.456 4.459 -0.003 19516 687 1 2 . 1 1 549 549 SER C C 549 173.519 173.519 174.479 -0.960 19516 688 1 2 . 1 1 549 549 SER CA C 549 58.515 58.515 59.003 -0.488 19516 689 1 2 . 1 1 549 549 SER CB C 549 64.459 64.459 63.367 1.091 19516 690 1 2 . 1 1 549 549 SER H H 549 7.720 7.720 7.538 0.182 19516 691 1 2 . 1 1 550 550 LEU N N 550 118.126 118.126 122.141 -4.015 19516 692 1 2 . 1 1 550 550 LEU HA H 550 4.471 4.471 4.356 0.115 19516 693 1 2 . 1 1 550 550 LEU C C 550 176.903 176.903 176.220 0.683 19516 694 1 2 . 1 1 550 550 LEU CA C 550 53.498 53.498 54.806 -1.308 19516 695 1 2 . 1 1 550 550 LEU CB C 550 43.619 43.619 42.695 0.924 19516 696 1 2 . 1 1 550 550 LEU H H 550 6.779 6.779 7.282 -0.503 19516 697 1 2 . 1 1 551 551 ASP N N 551 121.893 121.893 119.757 2.136 19516 698 1 2 . 1 1 551 551 ASP HA H 551 4.665 4.665 4.755 -0.090 19516 699 1 2 . 1 1 551 551 ASP C C 551 176.382 176.382 177.069 -0.687 19516 700 1 2 . 1 1 551 551 ASP CA C 551 53.535 53.535 52.468 1.067 19516 701 1 2 . 1 1 551 551 ASP CB C 551 42.051 42.051 43.296 -1.245 19516 702 1 2 . 1 1 551 551 ASP H H 551 9.082 9.082 8.235 0.847 19516 703 1 2 . 1 1 552 552 LYS N N 552 121.414 121.414 122.212 -0.798 19516 704 1 2 . 1 1 552 552 LYS HA H 552 4.149 4.149 4.115 0.034 19516 705 1 2 . 1 1 552 552 LYS C C 552 179.021 179.021 178.004 1.017 19516 706 1 2 . 1 1 552 552 LYS CA C 552 60.233 60.233 60.414 -0.181 19516 707 1 2 . 1 1 552 552 LYS CB C 552 32.495 32.495 32.487 0.008 19516 708 1 2 . 1 1 552 552 LYS H H 552 8.601 8.601 8.742 -0.141 19516 709 1 2 . 1 1 553 553 THR N N 553 113.449 113.449 113.904 -0.455 19516 710 1 2 . 1 1 553 553 THR HA H 553 3.910 3.910 4.302 -0.392 19516 711 1 2 . 1 1 553 553 THR C C 553 177.036 177.036 176.385 0.651 19516 712 1 2 . 1 1 553 553 THR CA C 553 66.065 66.065 65.971 0.094 19516 713 1 2 . 1 1 553 553 THR CB C 553 68.436 68.436 68.427 0.009 19516 714 1 2 . 1 1 553 553 THR H H 553 8.244 8.244 7.946 0.298 19516 715 1 2 . 1 1 554 554 THR N N 554 120.799 120.799 119.450 1.349 19516 716 1 2 . 1 1 554 554 THR HA H 554 3.828 3.828 4.291 -0.463 19516 717 1 2 . 1 1 554 554 THR C C 554 176.156 176.156 176.179 -0.023 19516 718 1 2 . 1 1 554 554 THR CA C 554 66.779 66.779 66.497 0.282 19516 719 1 2 . 1 1 554 554 THR CB C 554 67.976 67.976 68.631 -0.655 19516 720 1 2 . 1 1 554 554 THR H H 554 7.862 7.862 7.291 0.571 19516 721 1 2 . 1 1 555 555 VAL N N 555 122.618 122.618 121.973 0.645 19516 722 1 2 . 1 1 555 555 VAL HA H 555 3.366 3.366 3.780 -0.414 19516 723 1 2 . 1 1 555 555 VAL C C 555 177.296 177.296 177.423 -0.127 19516 724 1 2 . 1 1 555 555 VAL CA C 555 68.041 68.041 66.455 1.586 19516 725 1 2 . 1 1 555 555 VAL CB C 555 31.715 31.715 31.160 0.555 19516 726 1 2 . 1 1 555 555 VAL H H 555 7.970 7.970 8.864 -0.894 19516 727 1 2 . 1 1 556 556 ARG N N 556 118.700 118.700 118.611 0.089 19516 728 1 2 . 1 1 556 556 ARG HA H 556 4.420 4.420 4.222 0.198 19516 729 1 2 . 1 1 556 556 ARG C C 556 180.076 180.076 178.757 1.319 19516 730 1 2 . 1 1 556 556 ARG CA C 556 58.628 58.628 58.657 -0.029 19516 731 1 2 . 1 1 556 556 ARG CB C 556 29.147 29.147 29.935 -0.788 19516 732 1 2 . 1 1 556 556 ARG H H 556 8.342 8.342 7.575 0.767 19516 733 1 2 . 1 1 557 557 LYS N N 557 120.947 120.947 119.670 1.277 19516 734 1 2 . 1 1 557 557 LYS HA H 557 3.913 3.913 4.126 -0.213 19516 735 1 2 . 1 1 557 557 LYS C C 557 178.774 178.774 178.869 -0.095 19516 736 1 2 . 1 1 557 557 LYS CA C 557 59.270 59.270 58.719 0.551 19516 737 1 2 . 1 1 557 557 LYS CB C 557 32.075 32.075 32.485 -0.410 19516 738 1 2 . 1 1 557 557 LYS H H 557 7.670 7.670 7.599 0.071 19516 739 1 2 . 1 1 558 558 LEU N N 558 120.582 120.582 120.894 -0.312 19516 740 1 2 . 1 1 558 558 LEU HA H 558 3.704 3.704 4.240 -0.536 19516 741 1 2 . 1 1 558 558 LEU C C 558 178.702 178.702 178.886 -0.184 19516 742 1 2 . 1 1 558 558 LEU CA C 558 58.682 58.682 57.774 0.908 19516 743 1 2 . 1 1 558 558 LEU CB C 558 42.744 42.744 42.235 0.509 19516 744 1 2 . 1 1 558 558 LEU H H 558 8.166 8.166 7.839 0.327 19516 745 1 2 . 1 1 559 559 GLN N N 559 115.514 115.514 116.490 -0.976 19516 746 1 2 . 1 1 559 559 GLN HA H 559 3.869 3.869 3.906 -0.037 19516 747 1 2 . 1 1 559 559 GLN C C 559 179.502 179.502 178.179 1.323 19516 748 1 2 . 1 1 559 559 GLN CA C 559 59.568 59.568 58.893 0.675 19516 749 1 2 . 1 1 559 559 GLN CB C 559 28.527 28.527 28.509 0.018 19516 750 1 2 . 1 1 559 559 GLN H H 559 8.441 8.441 8.463 -0.022 19516 751 1 2 . 1 1 560 560 SER N N 560 115.703 115.703 115.923 -0.220 19516 752 1 2 . 1 1 560 560 SER HA H 560 4.310 4.310 4.186 0.124 19516 753 1 2 . 1 1 560 560 SER C C 560 176.997 176.997 176.043 0.954 19516 754 1 2 . 1 1 560 560 SER CA C 560 61.535 61.535 60.749 0.786 19516 755 1 2 . 1 1 560 560 SER CB C 560 62.810 62.810 62.548 0.262 19516 756 1 2 . 1 1 560 560 SER H H 560 7.883 7.883 7.689 0.194 19516 757 1 2 . 1 1 561 561 TYR N N 561 121.470 121.470 119.951 1.519 19516 758 1 2 . 1 1 561 561 TYR HA H 561 4.667 4.667 4.237 0.430 19516 759 1 2 . 1 1 561 561 TYR C C 561 178.019 178.019 177.345 0.674 19516 760 1 2 . 1 1 561 561 TYR CA C 561 57.854 57.854 60.773 -2.918 19516 761 1 2 . 1 1 561 561 TYR CB C 561 36.842 36.842 37.989 -1.147 19516 762 1 2 . 1 1 561 561 TYR H H 561 7.856 7.856 7.494 0.362 19516 763 1 2 . 1 1 562 562 LEU N N 562 117.382 117.382 118.616 -1.234 19516 764 1 2 . 1 1 562 562 LEU HA H 562 4.233 4.233 4.085 0.148 19516 765 1 2 . 1 1 562 562 LEU C C 562 178.086 178.086 178.556 -0.470 19516 766 1 2 . 1 1 562 562 LEU CA C 562 55.989 55.989 56.736 -0.748 19516 767 1 2 . 1 1 562 562 LEU CB C 562 41.606 41.606 41.918 -0.312 19516 768 1 2 . 1 1 562 562 LEU H H 562 7.618 7.618 7.470 0.148 19516 769 1 2 . 1 1 563 563 GLU N N 563 119.602 119.602 118.971 0.631 19516 770 1 2 . 1 1 563 563 GLU HA H 563 4.313 4.313 3.995 0.318 19516 771 1 2 . 1 1 563 563 GLU C C 563 177.407 177.407 176.891 0.516 19516 772 1 2 . 1 1 563 563 GLU CA C 563 57.577 57.577 57.905 -0.328 19516 773 1 2 . 1 1 563 563 GLU CB C 563 30.072 30.072 29.717 0.355 19516 774 1 2 . 1 1 563 563 GLU H H 563 7.724 7.724 7.654 0.070 19516 775 1 2 . 1 1 564 564 THR N N 564 112.400 112.400 113.639 -1.239 19516 776 1 2 . 1 1 564 564 THR HA H 564 4.416 4.416 3.929 0.487 19516 777 1 2 . 1 1 564 564 THR C C 564 174.998 174.998 173.775 1.223 19516 778 1 2 . 1 1 564 564 THR CA C 564 62.021 62.021 63.458 -1.437 19516 779 1 2 . 1 1 564 564 THR CB C 564 69.690 69.690 67.126 2.564 19516 780 1 2 . 1 1 564 564 THR H H 564 8.019 8.019 7.835 0.184 19516 781 1 2 . 1 1 565 565 SER N N 565 117.680 117.680 113.919 3.761 19516 782 1 2 . 1 1 565 565 SER HA H 565 4.463 4.463 4.077 0.386 19516 783 1 2 . 1 1 565 565 SER C C 565 175.109 175.109 173.839 1.270 19516 784 1 2 . 1 1 565 565 SER CA C 565 58.814 58.814 59.437 -0.623 19516 785 1 2 . 1 1 565 565 SER CB C 565 63.945 63.945 63.349 0.596 19516 786 1 2 . 1 1 565 565 SER H H 565 8.136 8.136 7.662 0.474 19516 787 1 2 . 1 1 566 566 GLY N N 566 111.023 111.023 110.626 0.397 19516 788 1 2 . 1 1 566 566 GLY C C 566 174.384 174.384 173.997 0.387 19516 789 1 2 . 1 1 566 566 GLY CA C 566 45.575 45.575 45.388 0.187 19516 790 1 2 . 1 1 566 566 GLY H H 566 8.510 8.510 8.266 0.244 19516 791 1 2 . 1 1 567 567 THR N N 567 113.077 113.077 112.772 0.305 19516 792 1 2 . 1 1 567 567 THR HA H 567 4.405 4.405 3.886 0.519 19516 793 1 2 . 1 1 567 567 THR C C 567 173.995 173.995 174.329 -0.334 19516 794 1 2 . 1 1 567 567 THR CA C 567 61.713 61.713 63.366 -1.653 19516 795 1 2 . 1 1 567 567 THR CB C 567 70.013 70.013 67.451 2.562 19516 796 1 2 . 1 1 567 567 THR H H 567 8.061 8.061 8.480 -0.419 19516 797 1 3 . 1 1 501 501 LYS N N 501 125.415 125.415 121.351 4.064 19516 798 1 3 . 1 1 501 501 LYS HA H 501 4.007 4.007 4.360 -0.353 19516 799 1 3 . 1 1 501 501 LYS C C 501 177.113 177.113 178.071 -0.958 19516 800 1 3 . 1 1 501 501 LYS CA C 501 59.115 59.115 56.705 2.410 19516 801 1 3 . 1 1 501 501 LYS CB C 501 32.793 32.793 32.817 -0.024 19516 802 1 3 . 1 1 501 501 LYS H H 501 8.677 8.677 8.355 0.322 19516 803 1 3 . 1 1 502 502 ALA N N 502 120.718 120.718 123.134 -2.416 19516 804 1 3 . 1 1 502 502 ALA HA H 502 4.240 4.240 4.100 0.140 19516 805 1 3 . 1 1 502 502 ALA C C 502 180.345 180.345 178.866 1.479 19516 806 1 3 . 1 1 502 502 ALA CA C 502 54.738 54.738 54.721 0.017 19516 807 1 3 . 1 1 502 502 ALA CB C 502 18.172 18.172 17.942 0.230 19516 808 1 3 . 1 1 502 502 ALA H H 502 8.382 8.382 8.287 0.095 19516 809 1 3 . 1 1 503 503 TYR N N 503 120.200 120.200 120.177 0.023 19516 810 1 3 . 1 1 503 503 TYR HA H 503 4.543 4.543 4.253 0.290 19516 811 1 3 . 1 1 503 503 TYR C C 503 177.235 177.235 177.952 -0.717 19516 812 1 3 . 1 1 503 503 TYR CA C 503 60.020 60.020 60.872 -0.852 19516 813 1 3 . 1 1 503 503 TYR CB C 503 38.707 38.707 38.089 0.618 19516 814 1 3 . 1 1 503 503 TYR H H 503 7.817 7.817 8.207 -0.390 19516 815 1 3 . 1 1 504 504 LEU N N 504 120.133 120.133 118.636 1.497 19516 816 1 3 . 1 1 504 504 LEU HA H 504 3.857 3.857 3.654 0.203 19516 817 1 3 . 1 1 504 504 LEU C C 504 178.616 178.616 178.584 0.032 19516 818 1 3 . 1 1 504 504 LEU CA C 504 58.200 58.200 58.163 0.036 19516 819 1 3 . 1 1 504 504 LEU CB C 504 41.066 41.066 41.827 -0.761 19516 820 1 3 . 1 1 504 504 LEU H H 504 8.175 8.175 8.096 0.079 19516 821 1 3 . 1 1 505 505 ASP N N 505 117.709 117.709 118.271 -0.562 19516 822 1 3 . 1 1 505 505 ASP HA H 505 4.307 4.307 4.188 0.119 19516 823 1 3 . 1 1 505 505 ASP C C 505 179.849 179.849 178.204 1.645 19516 824 1 3 . 1 1 505 505 ASP CA C 505 57.578 57.578 57.854 -0.276 19516 825 1 3 . 1 1 505 505 ASP CB C 505 39.811 39.811 40.632 -0.821 19516 826 1 3 . 1 1 505 505 ASP H H 505 8.308 8.308 7.993 0.315 19516 827 1 3 . 1 1 506 506 GLU N N 506 121.244 121.244 118.227 3.017 19516 828 1 3 . 1 1 506 506 GLU HA H 506 4.038 4.038 4.043 -0.005 19516 829 1 3 . 1 1 506 506 GLU C C 506 179.957 179.957 178.845 1.112 19516 830 1 3 . 1 1 506 506 GLU CA C 506 59.786 59.786 58.835 0.951 19516 831 1 3 . 1 1 506 506 GLU CB C 506 29.644 29.644 29.207 0.437 19516 832 1 3 . 1 1 506 506 GLU H H 506 7.657 7.657 7.859 -0.202 19516 833 1 3 . 1 1 507 507 LEU N N 507 121.550 121.550 119.226 2.324 19516 834 1 3 . 1 1 507 507 LEU HA H 507 3.860 3.860 4.055 -0.195 19516 835 1 3 . 1 1 507 507 LEU C C 507 178.973 178.973 178.578 0.395 19516 836 1 3 . 1 1 507 507 LEU CA C 507 57.925 57.925 57.343 0.583 19516 837 1 3 . 1 1 507 507 LEU CB C 507 41.882 41.882 41.654 0.228 19516 838 1 3 . 1 1 507 507 LEU H H 507 8.255 8.255 7.558 0.697 19516 839 1 3 . 1 1 508 508 VAL N N 508 121.174 121.174 121.203 -0.029 19516 840 1 3 . 1 1 508 508 VAL HA H 508 3.522 3.522 3.552 -0.030 19516 841 1 3 . 1 1 508 508 VAL C C 508 178.831 178.831 178.059 0.772 19516 842 1 3 . 1 1 508 508 VAL CA C 508 67.098 67.098 67.278 -0.180 19516 843 1 3 . 1 1 508 508 VAL CB C 508 31.988 31.988 31.261 0.727 19516 844 1 3 . 1 1 508 508 VAL H H 508 8.679 8.679 8.365 0.314 19516 845 1 3 . 1 1 509 509 GLU N N 509 120.516 120.516 119.647 0.869 19516 846 1 3 . 1 1 509 509 GLU HA H 509 4.286 4.286 3.899 0.387 19516 847 1 3 . 1 1 509 509 GLU C C 509 178.354 178.354 179.026 -0.672 19516 848 1 3 . 1 1 509 509 GLU CA C 509 58.837 58.837 59.913 -1.076 19516 849 1 3 . 1 1 509 509 GLU CB C 509 28.859 28.859 29.563 -0.704 19516 850 1 3 . 1 1 509 509 GLU H H 509 7.534 7.534 7.809 -0.275 19516 851 1 3 . 1 1 510 510 LEU N N 510 121.442 121.442 119.929 1.513 19516 852 1 3 . 1 1 510 510 LEU HA H 510 4.141 4.141 3.934 0.207 19516 853 1 3 . 1 1 510 510 LEU C C 510 177.961 177.961 178.415 -0.454 19516 854 1 3 . 1 1 510 510 LEU CA C 510 57.722 57.722 58.296 -0.574 19516 855 1 3 . 1 1 510 510 LEU CB C 510 41.776 41.776 41.872 -0.096 19516 856 1 3 . 1 1 510 510 LEU H H 510 8.018 8.018 7.533 0.485 19516 857 1 3 . 1 1 511 511 HIS N N 511 119.858 119.858 118.783 1.075 19516 858 1 3 . 1 1 511 511 HIS HA H 511 3.708 3.708 4.038 -0.330 19516 859 1 3 . 1 1 511 511 HIS C C 511 176.325 176.325 177.546 -1.221 19516 860 1 3 . 1 1 511 511 HIS CA C 511 62.252 62.252 60.561 1.691 19516 861 1 3 . 1 1 511 511 HIS CB C 511 31.459 31.459 29.925 1.534 19516 862 1 3 . 1 1 511 511 HIS H H 511 9.028 9.028 8.791 0.237 19516 863 1 3 . 1 1 512 512 ARG N N 512 117.523 117.523 118.338 -0.815 19516 864 1 3 . 1 1 512 512 ARG HA H 512 3.859 3.859 3.888 -0.029 19516 865 1 3 . 1 1 512 512 ARG C C 512 179.801 179.801 178.846 0.955 19516 866 1 3 . 1 1 512 512 ARG CA C 512 59.584 59.584 59.324 0.260 19516 867 1 3 . 1 1 512 512 ARG CB C 512 30.154 30.154 29.771 0.383 19516 868 1 3 . 1 1 512 512 ARG H H 512 7.942 7.942 8.753 -0.811 19516 869 1 3 . 1 1 513 513 ARG N N 513 117.870 117.870 120.209 -2.339 19516 870 1 3 . 1 1 513 513 ARG HA H 513 4.041 4.041 4.081 -0.040 19516 871 1 3 . 1 1 513 513 ARG C C 513 179.852 179.852 178.876 0.976 19516 872 1 3 . 1 1 513 513 ARG CA C 513 58.766 58.766 59.075 -0.309 19516 873 1 3 . 1 1 513 513 ARG CB C 513 30.582 30.582 29.915 0.668 19516 874 1 3 . 1 1 513 513 ARG H H 513 7.845 7.845 8.069 -0.224 19516 875 1 3 . 1 1 514 514 LEU N N 514 119.343 119.343 120.224 -0.881 19516 876 1 3 . 1 1 514 514 LEU HA H 514 4.031 4.031 3.955 0.076 19516 877 1 3 . 1 1 514 514 LEU C C 514 178.922 178.922 177.866 1.056 19516 878 1 3 . 1 1 514 514 LEU CA C 514 57.671 57.671 57.653 0.018 19516 879 1 3 . 1 1 514 514 LEU CB C 514 41.926 41.926 41.983 -0.057 19516 880 1 3 . 1 1 514 514 LEU H H 514 8.753 8.753 8.367 0.386 19516 881 1 3 . 1 1 515 515 MET N N 515 115.167 115.167 115.505 -0.338 19516 882 1 3 . 1 1 515 515 MET HA H 515 4.397 4.397 4.099 0.298 19516 883 1 3 . 1 1 515 515 MET C C 515 177.921 177.921 177.311 0.610 19516 884 1 3 . 1 1 515 515 MET CA C 515 56.895 56.895 57.376 -0.480 19516 885 1 3 . 1 1 515 515 MET CB C 515 31.659 31.659 32.836 -1.177 19516 886 1 3 . 1 1 515 515 MET H H 515 7.810 7.810 7.982 -0.172 19516 887 1 3 . 1 1 516 516 THR N N 516 106.551 106.551 108.299 -1.748 19516 888 1 3 . 1 1 516 516 THR HA H 516 4.441 4.441 4.229 0.212 19516 889 1 3 . 1 1 516 516 THR C C 516 174.390 174.390 175.829 -1.439 19516 890 1 3 . 1 1 516 516 THR CA C 516 61.133 61.133 62.390 -1.257 19516 891 1 3 . 1 1 516 516 THR CB C 516 69.787 69.787 69.240 0.547 19516 892 1 3 . 1 1 516 516 THR H H 516 7.269 7.269 7.144 0.125 19516 893 1 3 . 1 1 517 517 LEU N N 517 123.805 123.805 124.344 -0.539 19516 894 1 3 . 1 1 517 517 LEU HA H 517 4.283 4.283 4.182 0.101 19516 895 1 3 . 1 1 517 517 LEU C C 517 177.241 177.241 176.411 0.830 19516 896 1 3 . 1 1 517 517 LEU CA C 517 56.137 56.137 55.983 0.154 19516 897 1 3 . 1 1 517 517 LEU CB C 517 42.974 42.974 42.560 0.414 19516 898 1 3 . 1 1 517 517 LEU H H 517 7.036 7.036 7.866 -0.830 19516 899 1 3 . 1 1 518 518 ARG N N 518 122.669 122.669 125.312 -2.643 19516 900 1 3 . 1 1 518 518 ARG HA H 518 4.598 4.598 4.269 0.329 19516 901 1 3 . 1 1 518 518 ARG C C 518 175.915 175.915 175.808 0.107 19516 902 1 3 . 1 1 518 518 ARG CA C 518 54.831 54.831 56.248 -1.417 19516 903 1 3 . 1 1 518 518 ARG CB C 518 32.442 32.442 30.965 1.477 19516 904 1 3 . 1 1 518 518 ARG H H 518 9.040 9.040 8.291 0.749 19516 905 1 3 . 1 1 519 519 GLU N N 519 121.385 121.385 120.986 0.399 19516 906 1 3 . 1 1 519 519 GLU HA H 519 4.295 4.295 4.176 0.119 19516 907 1 3 . 1 1 519 519 GLU C C 519 177.016 177.016 177.432 -0.416 19516 908 1 3 . 1 1 519 519 GLU CA C 519 57.380 57.380 56.567 0.813 19516 909 1 3 . 1 1 519 519 GLU CB C 519 30.017 30.017 28.934 1.083 19516 910 1 3 . 1 1 519 519 GLU H H 519 7.172 7.172 8.267 -1.095 19516 911 1 3 . 1 1 520 520 ARG N N 520 128.171 128.171 125.554 2.617 19516 912 1 3 . 1 1 520 520 ARG HA H 520 3.811 3.811 3.885 -0.074 19516 913 1 3 . 1 1 520 520 ARG C C 520 177.930 177.930 177.663 0.267 19516 914 1 3 . 1 1 520 520 ARG CA C 520 60.867 60.867 59.399 1.468 19516 915 1 3 . 1 1 520 520 ARG CB C 520 30.187 30.187 29.774 0.413 19516 916 1 3 . 1 1 520 520 ARG H H 520 8.918 8.918 8.565 0.353 19516 917 1 3 . 1 1 521 521 HIS N N 521 116.808 116.808 118.744 -1.936 19516 918 1 3 . 1 1 521 521 HIS HA H 521 4.402 4.402 4.358 0.044 19516 919 1 3 . 1 1 521 521 HIS C C 521 177.637 177.637 177.335 0.302 19516 920 1 3 . 1 1 521 521 HIS CA C 521 59.645 59.645 58.945 0.700 19516 921 1 3 . 1 1 521 521 HIS CB C 521 28.425 28.425 29.384 -0.959 19516 922 1 3 . 1 1 521 521 HIS H H 521 9.073 9.073 8.200 0.873 19516 923 1 3 . 1 1 522 522 ILE N N 522 119.592 119.592 119.033 0.559 19516 924 1 3 . 1 1 522 522 ILE HA H 522 3.896 3.896 3.888 0.008 19516 925 1 3 . 1 1 522 522 ILE C C 522 177.866 177.866 177.746 0.120 19516 926 1 3 . 1 1 522 522 ILE CA C 522 63.397 63.397 62.367 1.030 19516 927 1 3 . 1 1 522 522 ILE CB C 522 37.650 37.650 37.130 0.520 19516 928 1 3 . 1 1 522 522 ILE H H 522 7.088 7.088 8.354 -1.266 19516 929 1 3 . 1 1 523 523 LEU N N 523 119.719 119.719 120.204 -0.485 19516 930 1 3 . 1 1 523 523 LEU HA H 523 3.819 3.819 3.800 0.019 19516 931 1 3 . 1 1 523 523 LEU C C 523 178.379 178.379 179.282 -0.903 19516 932 1 3 . 1 1 523 523 LEU CA C 523 58.386 58.386 58.602 -0.216 19516 933 1 3 . 1 1 523 523 LEU CB C 523 41.318 41.318 40.901 0.417 19516 934 1 3 . 1 1 523 523 LEU H H 523 7.905 7.905 7.605 0.300 19516 935 1 3 . 1 1 524 524 GLN N N 524 116.700 116.700 116.977 -0.277 19516 936 1 3 . 1 1 524 524 GLN HA H 524 3.552 3.552 3.835 -0.283 19516 937 1 3 . 1 1 524 524 GLN C C 524 177.441 177.441 178.298 -0.857 19516 938 1 3 . 1 1 524 524 GLN CA C 524 58.259 58.259 59.093 -0.834 19516 939 1 3 . 1 1 524 524 GLN CB C 524 29.097 29.097 28.398 0.699 19516 940 1 3 . 1 1 524 524 GLN H H 524 8.265 8.265 7.770 0.495 19516 941 1 3 . 1 1 525 525 GLN N N 525 117.608 117.608 119.298 -1.690 19516 942 1 3 . 1 1 525 525 GLN HA H 525 3.777 3.777 3.805 -0.028 19516 943 1 3 . 1 1 525 525 GLN C C 525 179.278 179.278 178.336 0.942 19516 944 1 3 . 1 1 525 525 GLN CA C 525 58.986 58.986 58.313 0.673 19516 945 1 3 . 1 1 525 525 GLN CB C 525 28.545 28.545 27.956 0.589 19516 946 1 3 . 1 1 525 525 GLN H H 525 7.300 7.300 7.595 -0.295 19516 947 1 3 . 1 1 526 526 ILE N N 526 119.883 119.883 120.047 -0.164 19516 948 1 3 . 1 1 526 526 ILE HA H 526 3.434 3.434 3.328 0.106 19516 949 1 3 . 1 1 526 526 ILE C C 526 176.638 176.638 177.787 -1.149 19516 950 1 3 . 1 1 526 526 ILE CA C 526 66.116 66.116 65.222 0.894 19516 951 1 3 . 1 1 526 526 ILE CB C 526 37.581 37.581 37.687 -0.106 19516 952 1 3 . 1 1 526 526 ILE H H 526 8.039 8.039 7.677 0.362 19516 953 1 3 . 1 1 527 527 VAL N N 527 119.535 119.535 119.826 -0.291 19516 954 1 3 . 1 1 527 527 VAL HA H 527 2.791 2.791 3.044 -0.253 19516 955 1 3 . 1 1 527 527 VAL C C 527 176.957 176.957 177.719 -0.762 19516 956 1 3 . 1 1 527 527 VAL CA C 527 66.371 66.371 66.873 -0.502 19516 957 1 3 . 1 1 527 527 VAL CB C 527 30.623 30.623 31.071 -0.448 19516 958 1 3 . 1 1 527 527 VAL H H 527 8.052 8.052 7.647 0.405 19516 959 1 3 . 1 1 528 528 ASN N N 528 117.957 117.957 116.013 1.944 19516 960 1 3 . 1 1 528 528 ASN HA H 528 4.138 4.138 4.293 -0.155 19516 961 1 3 . 1 1 528 528 ASN C C 528 178.148 178.148 177.860 0.288 19516 962 1 3 . 1 1 528 528 ASN CA C 528 55.696 55.696 55.530 0.166 19516 963 1 3 . 1 1 528 528 ASN CB C 528 37.192 37.192 37.727 -0.535 19516 964 1 3 . 1 1 528 528 ASN H H 528 8.172 8.172 7.726 0.446 19516 965 1 3 . 1 1 529 529 LEU N N 529 120.654 120.654 121.453 -0.799 19516 966 1 3 . 1 1 529 529 LEU HA H 529 4.166 4.166 4.183 -0.017 19516 967 1 3 . 1 1 529 529 LEU C C 529 178.908 178.908 178.200 0.708 19516 968 1 3 . 1 1 529 529 LEU CA C 529 57.870 57.870 57.611 0.259 19516 969 1 3 . 1 1 529 529 LEU CB C 529 42.512 42.512 41.434 1.078 19516 970 1 3 . 1 1 529 529 LEU H H 529 7.666 7.666 7.827 -0.161 19516 971 1 3 . 1 1 530 530 ILE N N 530 117.213 117.213 117.636 -0.423 19516 972 1 3 . 1 1 530 530 ILE HA H 530 3.677 3.677 4.007 -0.330 19516 973 1 3 . 1 1 530 530 ILE C C 530 180.762 180.762 178.228 2.534 19516 974 1 3 . 1 1 530 530 ILE CA C 530 61.592 61.592 63.812 -2.220 19516 975 1 3 . 1 1 530 530 ILE CB C 530 34.726 34.726 37.411 -2.685 19516 976 1 3 . 1 1 530 530 ILE H H 530 8.543 8.543 7.958 0.585 19516 977 1 3 . 1 1 531 531 GLU N N 531 124.050 124.050 120.532 3.518 19516 978 1 3 . 1 1 531 531 GLU HA H 531 3.940 3.940 3.821 0.119 19516 979 1 3 . 1 1 531 531 GLU C C 531 178.698 178.698 178.878 -0.180 19516 980 1 3 . 1 1 531 531 GLU CA C 531 59.763 59.763 59.621 0.142 19516 981 1 3 . 1 1 531 531 GLU CB C 531 27.691 27.691 28.970 -1.279 19516 982 1 3 . 1 1 531 531 GLU H H 531 9.276 9.276 8.614 0.662 19516 983 1 3 . 1 1 532 532 GLU N N 532 116.396 116.396 117.409 -1.013 19516 984 1 3 . 1 1 532 532 GLU HA H 532 3.995 3.995 4.125 -0.130 19516 985 1 3 . 1 1 532 532 GLU C C 532 178.030 178.030 178.577 -0.547 19516 986 1 3 . 1 1 532 532 GLU CA C 532 58.903 58.903 58.513 0.390 19516 987 1 3 . 1 1 532 532 GLU CB C 532 29.666 29.666 29.577 0.089 19516 988 1 3 . 1 1 532 532 GLU H H 532 7.003 7.003 7.750 -0.747 19516 989 1 3 . 1 1 533 533 THR N N 533 107.227 107.227 113.032 -5.805 19516 990 1 3 . 1 1 533 533 THR HA H 533 4.328 4.328 4.096 0.232 19516 991 1 3 . 1 1 533 533 THR C C 533 176.559 176.559 175.965 0.594 19516 992 1 3 . 1 1 533 533 THR CA C 533 63.112 63.112 64.620 -1.508 19516 993 1 3 . 1 1 533 533 THR CB C 533 71.513 71.513 69.583 1.930 19516 994 1 3 . 1 1 533 533 THR H H 533 7.611 7.611 8.233 -0.622 19516 995 1 3 . 1 1 534 534 GLY N N 534 106.448 106.448 107.344 -0.896 19516 996 1 3 . 1 1 534 534 GLY C C 534 174.199 174.199 174.814 -0.615 19516 997 1 3 . 1 1 534 534 GLY CA C 534 45.527 45.527 44.986 0.541 19516 998 1 3 . 1 1 534 534 GLY H H 534 7.618 7.618 8.277 -0.659 19516 999 1 3 . 1 1 535 535 HIS N N 535 121.292 121.292 123.078 -1.786 19516 1000 1 3 . 1 1 535 535 HIS HA H 535 4.909 4.909 4.601 0.308 19516 1001 1 3 . 1 1 535 535 HIS C C 535 172.641 172.641 173.639 -0.998 19516 1002 1 3 . 1 1 535 535 HIS CA C 535 53.806 53.806 55.659 -1.853 19516 1003 1 3 . 1 1 535 535 HIS CB C 535 27.013 27.013 26.883 0.131 19516 1004 1 3 . 1 1 535 535 HIS H H 535 8.430 8.430 8.291 0.139 19516 1005 1 3 . 1 1 536 536 PHE N N 536 115.908 115.908 116.536 -0.628 19516 1006 1 3 . 1 1 536 536 PHE HA H 536 5.282 5.282 5.071 0.211 19516 1007 1 3 . 1 1 536 536 PHE C C 536 173.438 173.438 174.240 -0.802 19516 1008 1 3 . 1 1 536 536 PHE CA C 536 55.736 55.736 56.228 -0.492 19516 1009 1 3 . 1 1 536 536 PHE CB C 536 42.099 42.099 41.895 0.204 19516 1010 1 3 . 1 1 536 536 PHE H H 536 7.173 7.173 7.753 -0.580 19516 1011 1 3 . 1 1 537 537 HIS N N 537 117.767 117.767 117.957 -0.190 19516 1012 1 3 . 1 1 537 537 HIS HA H 537 4.667 4.667 4.978 -0.311 19516 1013 1 3 . 1 1 537 537 HIS C C 537 172.182 172.182 173.936 -1.754 19516 1014 1 3 . 1 1 537 537 HIS CA C 537 55.264 55.264 54.644 0.620 19516 1015 1 3 . 1 1 537 537 HIS CB C 537 32.118 32.118 30.348 1.770 19516 1016 1 3 . 1 1 537 537 HIS H H 537 9.185 9.185 8.366 0.819 19516 1017 1 3 . 1 1 538 538 ILE N N 538 123.861 123.861 125.797 -1.936 19516 1018 1 3 . 1 1 538 538 ILE HA H 538 4.986 4.986 4.320 0.666 19516 1019 1 3 . 1 1 538 538 ILE C C 538 176.686 176.686 176.188 0.498 19516 1020 1 3 . 1 1 538 538 ILE CA C 538 60.271 60.271 61.877 -1.606 19516 1021 1 3 . 1 1 538 538 ILE CB C 538 39.400 39.400 39.020 0.380 19516 1022 1 3 . 1 1 538 538 ILE H H 538 8.649 8.649 8.819 -0.170 19516 1023 1 3 . 1 1 539 539 THR N N 539 119.438 119.438 119.972 -0.534 19516 1024 1 3 . 1 1 539 539 THR HA H 539 4.726 4.726 4.634 0.092 19516 1025 1 3 . 1 1 539 539 THR C C 539 173.788 173.788 173.614 0.174 19516 1026 1 3 . 1 1 539 539 THR CA C 539 60.256 60.256 60.681 -0.425 19516 1027 1 3 . 1 1 539 539 THR CB C 539 70.391 70.391 71.576 -1.185 19516 1028 1 3 . 1 1 539 539 THR H H 539 9.118 9.118 8.297 0.821 19516 1029 1 3 . 1 1 540 540 ASN N N 540 114.191 114.191 119.510 -5.319 19516 1030 1 3 . 1 1 540 540 ASN HA H 540 4.542 4.542 4.436 0.106 19516 1031 1 3 . 1 1 540 540 ASN C C 540 176.815 176.815 174.372 2.443 19516 1032 1 3 . 1 1 540 540 ASN CA C 540 56.202 56.202 55.588 0.614 19516 1033 1 3 . 1 1 540 540 ASN CB C 540 38.371 38.371 38.237 0.134 19516 1034 1 3 . 1 1 540 540 ASN H H 540 8.569 8.569 8.834 -0.265 19516 1035 1 3 . 1 1 541 541 THR N N 541 102.711 102.711 115.860 -13.149 19516 1036 1 3 . 1 1 541 541 THR HA H 541 4.688 4.688 4.742 -0.054 19516 1037 1 3 . 1 1 541 541 THR C C 541 175.793 175.793 173.162 2.631 19516 1038 1 3 . 1 1 541 541 THR CA C 541 61.897 61.897 62.255 -0.358 19516 1039 1 3 . 1 1 541 541 THR CB C 541 71.614 71.614 69.176 2.438 19516 1040 1 3 . 1 1 541 541 THR H H 541 7.913 7.913 8.159 -0.246 19516 1041 1 3 . 1 1 542 542 THR N N 542 115.756 115.756 114.814 0.942 19516 1042 1 3 . 1 1 542 542 THR HA H 542 5.196 5.196 4.540 0.656 19516 1043 1 3 . 1 1 542 542 THR C C 542 170.174 170.174 172.035 -1.861 19516 1044 1 3 . 1 1 542 542 THR CA C 542 61.241 61.241 61.778 -0.536 19516 1045 1 3 . 1 1 542 542 THR CB C 542 72.559 72.559 70.612 1.947 19516 1046 1 3 . 1 1 542 542 THR H H 542 8.164 8.164 7.956 0.208 19516 1047 1 3 . 1 1 543 543 PHE N N 543 122.724 122.724 122.323 0.401 19516 1048 1 3 . 1 1 543 543 PHE HA H 543 4.754 4.754 4.798 -0.044 19516 1049 1 3 . 1 1 543 543 PHE C C 543 173.268 173.268 173.799 -0.531 19516 1050 1 3 . 1 1 543 543 PHE CA C 543 57.809 57.809 57.166 0.643 19516 1051 1 3 . 1 1 543 543 PHE CB C 543 41.077 41.077 40.418 0.659 19516 1052 1 3 . 1 1 543 543 PHE H H 543 9.363 9.363 8.500 0.863 19516 1053 1 3 . 1 1 544 544 ASP N N 544 128.063 128.063 127.377 0.686 19516 1054 1 3 . 1 1 544 544 ASP HA H 544 6.057 6.057 4.794 1.263 19516 1055 1 3 . 1 1 544 544 ASP C C 544 175.674 175.674 173.943 1.731 19516 1056 1 3 . 1 1 544 544 ASP CA C 544 52.913 52.913 52.629 0.284 19516 1057 1 3 . 1 1 544 544 ASP CB C 544 42.879 42.879 43.207 -0.328 19516 1058 1 3 . 1 1 544 544 ASP H H 544 8.751 8.751 8.263 0.488 19516 1059 1 3 . 1 1 545 545 PHE N N 545 114.137 114.137 116.239 -2.102 19516 1060 1 3 . 1 1 545 545 PHE HA H 545 4.925 4.925 4.991 -0.066 19516 1061 1 3 . 1 1 545 545 PHE C C 545 171.897 171.897 173.793 -1.896 19516 1062 1 3 . 1 1 545 545 PHE CA C 545 56.380 56.380 56.362 0.018 19516 1063 1 3 . 1 1 545 545 PHE CB C 545 41.371 41.371 41.561 -0.190 19516 1064 1 3 . 1 1 545 545 PHE H H 545 8.662 8.662 7.818 0.844 19516 1065 1 3 . 1 1 546 546 ASP N N 546 121.001 121.001 121.999 -0.998 19516 1066 1 3 . 1 1 546 546 ASP HA H 546 5.019 5.019 4.948 0.071 19516 1067 1 3 . 1 1 546 546 ASP C C 546 178.950 178.950 176.890 2.060 19516 1068 1 3 . 1 1 546 546 ASP CA C 546 52.045 52.045 53.111 -1.066 19516 1069 1 3 . 1 1 546 546 ASP CB C 546 43.129 43.129 42.952 0.177 19516 1070 1 3 . 1 1 546 546 ASP H H 546 9.219 9.219 8.836 0.383 19516 1071 1 3 . 1 1 547 547 LEU N N 547 126.156 126.156 122.545 3.611 19516 1072 1 3 . 1 1 547 547 LEU HA H 547 4.104 4.104 4.453 -0.349 19516 1073 1 3 . 1 1 547 547 LEU C C 547 178.679 178.679 178.619 0.060 19516 1074 1 3 . 1 1 547 547 LEU CA C 547 58.272 58.272 56.736 1.536 19516 1075 1 3 . 1 1 547 547 LEU CB C 547 43.101 43.101 41.578 1.523 19516 1076 1 3 . 1 1 547 547 LEU H H 547 8.623 8.623 8.722 -0.099 19516 1077 1 3 . 1 1 548 548 CYS N N 548 113.743 113.743 116.915 -3.172 19516 1078 1 3 . 1 1 548 548 CYS HA H 548 4.021 4.021 4.402 -0.381 19516 1079 1 3 . 1 1 548 548 CYS C C 548 174.884 174.884 175.632 -0.748 19516 1080 1 3 . 1 1 548 548 CYS CA C 548 61.823 61.823 59.784 2.039 19516 1081 1 3 . 1 1 548 548 CYS CB C 548 27.228 27.228 26.333 0.895 19516 1082 1 3 . 1 1 548 548 CYS H H 548 8.820 8.820 8.091 0.729 19516 1083 1 3 . 1 1 549 549 SER N N 549 113.613 113.613 114.802 -1.189 19516 1084 1 3 . 1 1 549 549 SER HA H 549 4.456 4.456 4.346 0.110 19516 1085 1 3 . 1 1 549 549 SER C C 549 173.519 173.519 174.367 -0.848 19516 1086 1 3 . 1 1 549 549 SER CA C 549 58.515 58.515 58.132 0.383 19516 1087 1 3 . 1 1 549 549 SER CB C 549 64.459 64.459 62.915 1.544 19516 1088 1 3 . 1 1 549 549 SER H H 549 7.720 7.720 7.539 0.181 19516 1089 1 3 . 1 1 550 550 LEU N N 550 118.126 118.126 122.106 -3.980 19516 1090 1 3 . 1 1 550 550 LEU HA H 550 4.471 4.471 4.466 0.005 19516 1091 1 3 . 1 1 550 550 LEU C C 550 176.903 176.903 176.244 0.659 19516 1092 1 3 . 1 1 550 550 LEU CA C 550 53.498 53.498 54.603 -1.105 19516 1093 1 3 . 1 1 550 550 LEU CB C 550 43.619 43.619 42.938 0.681 19516 1094 1 3 . 1 1 550 550 LEU H H 550 6.779 6.779 7.247 -0.468 19516 1095 1 3 . 1 1 551 551 ASP N N 551 121.893 121.893 121.703 0.190 19516 1096 1 3 . 1 1 551 551 ASP HA H 551 4.665 4.665 4.780 -0.115 19516 1097 1 3 . 1 1 551 551 ASP C C 551 176.382 176.382 177.081 -0.699 19516 1098 1 3 . 1 1 551 551 ASP CA C 551 53.535 53.535 53.491 0.044 19516 1099 1 3 . 1 1 551 551 ASP CB C 551 42.051 42.051 42.792 -0.742 19516 1100 1 3 . 1 1 551 551 ASP H H 551 9.082 9.082 8.488 0.594 19516 1101 1 3 . 1 1 552 552 LYS N N 552 121.414 121.414 123.990 -2.576 19516 1102 1 3 . 1 1 552 552 LYS HA H 552 4.149 4.149 4.019 0.130 19516 1103 1 3 . 1 1 552 552 LYS C C 552 179.021 179.021 178.711 0.310 19516 1104 1 3 . 1 1 552 552 LYS CA C 552 60.233 60.233 60.280 -0.047 19516 1105 1 3 . 1 1 552 552 LYS CB C 552 32.495 32.495 31.766 0.729 19516 1106 1 3 . 1 1 552 552 LYS H H 552 8.601 8.601 8.932 -0.331 19516 1107 1 3 . 1 1 553 553 THR N N 553 113.449 113.449 113.374 0.075 19516 1108 1 3 . 1 1 553 553 THR HA H 553 3.910 3.910 4.217 -0.307 19516 1109 1 3 . 1 1 553 553 THR C C 553 177.036 177.036 176.418 0.618 19516 1110 1 3 . 1 1 553 553 THR CA C 553 66.065 66.065 65.751 0.314 19516 1111 1 3 . 1 1 553 553 THR CB C 553 68.436 68.436 68.408 0.028 19516 1112 1 3 . 1 1 553 553 THR H H 553 8.244 8.244 8.273 -0.029 19516 1113 1 3 . 1 1 554 554 THR N N 554 120.799 120.799 118.077 2.722 19516 1114 1 3 . 1 1 554 554 THR HA H 554 3.828 3.828 4.306 -0.478 19516 1115 1 3 . 1 1 554 554 THR C C 554 176.156 176.156 175.965 0.191 19516 1116 1 3 . 1 1 554 554 THR CA C 554 66.779 66.779 65.474 1.305 19516 1117 1 3 . 1 1 554 554 THR CB C 554 67.976 67.976 68.935 -0.959 19516 1118 1 3 . 1 1 554 554 THR H H 554 7.862 7.862 8.011 -0.149 19516 1119 1 3 . 1 1 555 555 VAL N N 555 122.618 122.618 122.485 0.133 19516 1120 1 3 . 1 1 555 555 VAL HA H 555 3.366 3.366 3.831 -0.465 19516 1121 1 3 . 1 1 555 555 VAL C C 555 177.296 177.296 177.233 0.063 19516 1122 1 3 . 1 1 555 555 VAL CA C 555 68.041 68.041 66.195 1.846 19516 1123 1 3 . 1 1 555 555 VAL CB C 555 31.715 31.715 31.285 0.430 19516 1124 1 3 . 1 1 555 555 VAL H H 555 7.970 7.970 8.561 -0.591 19516 1125 1 3 . 1 1 556 556 ARG N N 556 118.700 118.700 118.737 -0.037 19516 1126 1 3 . 1 1 556 556 ARG HA H 556 4.420 4.420 4.126 0.294 19516 1127 1 3 . 1 1 556 556 ARG C C 556 180.076 180.076 178.440 1.636 19516 1128 1 3 . 1 1 556 556 ARG CA C 556 58.628 58.628 58.608 0.020 19516 1129 1 3 . 1 1 556 556 ARG CB C 556 29.147 29.147 29.946 -0.799 19516 1130 1 3 . 1 1 556 556 ARG H H 556 8.342 8.342 7.657 0.685 19516 1131 1 3 . 1 1 557 557 LYS N N 557 120.947 120.947 118.676 2.271 19516 1132 1 3 . 1 1 557 557 LYS HA H 557 3.913 3.913 4.182 -0.269 19516 1133 1 3 . 1 1 557 557 LYS C C 557 178.774 178.774 178.534 0.240 19516 1134 1 3 . 1 1 557 557 LYS CA C 557 59.270 59.270 58.527 0.743 19516 1135 1 3 . 1 1 557 557 LYS CB C 557 32.075 32.075 32.552 -0.477 19516 1136 1 3 . 1 1 557 557 LYS H H 557 7.670 7.670 7.647 0.023 19516 1137 1 3 . 1 1 558 558 LEU N N 558 120.582 120.582 121.187 -0.605 19516 1138 1 3 . 1 1 558 558 LEU HA H 558 3.704 3.704 4.264 -0.560 19516 1139 1 3 . 1 1 558 558 LEU C C 558 178.702 178.702 178.904 -0.202 19516 1140 1 3 . 1 1 558 558 LEU CA C 558 58.682 58.682 57.764 0.918 19516 1141 1 3 . 1 1 558 558 LEU CB C 558 42.744 42.744 42.114 0.630 19516 1142 1 3 . 1 1 558 558 LEU H H 558 8.166 8.166 7.688 0.478 19516 1143 1 3 . 1 1 559 559 GLN N N 559 115.514 115.514 117.735 -2.221 19516 1144 1 3 . 1 1 559 559 GLN HA H 559 3.869 3.869 3.854 0.015 19516 1145 1 3 . 1 1 559 559 GLN C C 559 179.502 179.502 178.512 0.990 19516 1146 1 3 . 1 1 559 559 GLN CA C 559 59.568 59.568 59.232 0.336 19516 1147 1 3 . 1 1 559 559 GLN CB C 559 28.527 28.527 28.272 0.255 19516 1148 1 3 . 1 1 559 559 GLN H H 559 8.441 8.441 8.234 0.207 19516 1149 1 3 . 1 1 560 560 SER N N 560 115.703 115.703 115.132 0.571 19516 1150 1 3 . 1 1 560 560 SER HA H 560 4.310 4.310 4.195 0.115 19516 1151 1 3 . 1 1 560 560 SER C C 560 176.997 176.997 176.135 0.862 19516 1152 1 3 . 1 1 560 560 SER CA C 560 61.535 61.535 61.457 0.078 19516 1153 1 3 . 1 1 560 560 SER CB C 560 62.810 62.810 62.864 -0.054 19516 1154 1 3 . 1 1 560 560 SER H H 560 7.883 7.883 7.916 -0.033 19516 1155 1 3 . 1 1 561 561 TYR N N 561 121.470 121.470 119.142 2.328 19516 1156 1 3 . 1 1 561 561 TYR HA H 561 4.667 4.667 4.301 0.366 19516 1157 1 3 . 1 1 561 561 TYR C C 561 178.019 178.019 176.315 1.704 19516 1158 1 3 . 1 1 561 561 TYR CA C 561 57.854 57.854 60.849 -2.995 19516 1159 1 3 . 1 1 561 561 TYR CB C 561 36.842 36.842 38.578 -1.736 19516 1160 1 3 . 1 1 561 561 TYR H H 561 7.856 7.856 8.005 -0.149 19516 1161 1 3 . 1 1 562 562 LEU N N 562 117.382 117.382 116.094 1.288 19516 1162 1 3 . 1 1 562 562 LEU HA H 562 4.233 4.233 4.501 -0.268 19516 1163 1 3 . 1 1 562 562 LEU C C 562 178.086 178.086 176.385 1.701 19516 1164 1 3 . 1 1 562 562 LEU CA C 562 55.989 55.989 54.674 1.315 19516 1165 1 3 . 1 1 562 562 LEU CB C 562 41.606 41.606 43.569 -1.963 19516 1166 1 3 . 1 1 562 562 LEU H H 562 7.618 7.618 7.565 0.053 19516 1167 1 3 . 1 1 563 563 GLU N N 563 119.602 119.602 117.266 2.336 19516 1168 1 3 . 1 1 563 563 GLU HA H 563 4.313 4.313 3.978 0.335 19516 1169 1 3 . 1 1 563 563 GLU C C 563 177.407 177.407 176.019 1.388 19516 1170 1 3 . 1 1 563 563 GLU CA C 563 57.577 57.577 56.966 0.611 19516 1171 1 3 . 1 1 563 563 GLU CB C 563 30.072 30.072 28.808 1.264 19516 1172 1 3 . 1 1 563 563 GLU H H 563 7.724 7.724 8.275 -0.551 19516 1173 1 3 . 1 1 564 564 THR N N 564 112.400 112.400 115.079 -2.679 19516 1174 1 3 . 1 1 564 564 THR HA H 564 4.416 4.416 4.183 0.233 19516 1175 1 3 . 1 1 564 564 THR C C 564 174.998 174.998 174.968 0.030 19516 1176 1 3 . 1 1 564 564 THR CA C 564 62.021 62.021 64.002 -1.981 19516 1177 1 3 . 1 1 564 564 THR CB C 564 69.690 69.690 69.820 -0.130 19516 1178 1 3 . 1 1 564 564 THR H H 564 8.019 8.019 7.602 0.417 19516 1179 1 3 . 1 1 565 565 SER N N 565 117.680 117.680 122.099 -4.419 19516 1180 1 3 . 1 1 565 565 SER HA H 565 4.463 4.463 4.249 0.214 19516 1181 1 3 . 1 1 565 565 SER C C 565 175.109 175.109 174.937 0.172 19516 1182 1 3 . 1 1 565 565 SER CA C 565 58.814 58.814 59.979 -1.165 19516 1183 1 3 . 1 1 565 565 SER CB C 565 63.945 63.945 62.111 1.834 19516 1184 1 3 . 1 1 565 565 SER H H 565 8.136 8.136 8.493 -0.357 19516 1185 1 3 . 1 1 566 566 GLY N N 566 111.023 111.023 108.854 2.169 19516 1186 1 3 . 1 1 566 566 GLY C C 566 174.384 174.384 174.072 0.312 19516 1187 1 3 . 1 1 566 566 GLY CA C 566 45.575 45.575 44.919 0.656 19516 1188 1 3 . 1 1 566 566 GLY H H 566 8.510 8.510 8.419 0.091 19516 1189 1 3 . 1 1 567 567 THR N N 567 113.077 113.077 112.288 0.789 19516 1190 1 3 . 1 1 567 567 THR HA H 567 4.405 4.405 4.278 0.127 19516 1191 1 3 . 1 1 567 567 THR C C 567 173.995 173.995 175.328 -1.333 19516 1192 1 3 . 1 1 567 567 THR CA C 567 61.713 61.713 62.424 -0.711 19516 1193 1 3 . 1 1 567 567 THR CB C 567 70.013 70.013 69.239 0.774 19516 1194 1 3 . 1 1 567 567 THR H H 567 8.061 8.061 7.667 0.394 19516 1195 1 4 . 1 1 501 501 LYS N N 501 125.415 125.415 120.588 4.827 19516 1196 1 4 . 1 1 501 501 LYS HA H 501 4.007 4.007 4.250 -0.243 19516 1197 1 4 . 1 1 501 501 LYS C C 501 177.113 177.113 177.786 -0.673 19516 1198 1 4 . 1 1 501 501 LYS CA C 501 59.115 59.115 57.147 1.968 19516 1199 1 4 . 1 1 501 501 LYS CB C 501 32.793 32.793 32.508 0.285 19516 1200 1 4 . 1 1 501 501 LYS H H 501 8.677 8.677 8.275 0.402 19516 1201 1 4 . 1 1 502 502 ALA N N 502 120.718 120.718 122.383 -1.665 19516 1202 1 4 . 1 1 502 502 ALA HA H 502 4.240 4.240 4.602 -0.362 19516 1203 1 4 . 1 1 502 502 ALA C C 502 180.345 180.345 179.126 1.219 19516 1204 1 4 . 1 1 502 502 ALA CA C 502 54.738 54.738 54.234 0.503 19516 1205 1 4 . 1 1 502 502 ALA CB C 502 18.172 18.172 18.466 -0.294 19516 1206 1 4 . 1 1 502 502 ALA H H 502 8.382 8.382 8.058 0.324 19516 1207 1 4 . 1 1 503 503 TYR N N 503 120.200 120.200 120.211 -0.011 19516 1208 1 4 . 1 1 503 503 TYR HA H 503 4.543 4.543 4.066 0.477 19516 1209 1 4 . 1 1 503 503 TYR C C 503 177.235 177.235 177.689 -0.454 19516 1210 1 4 . 1 1 503 503 TYR CA C 503 60.020 60.020 61.936 -1.916 19516 1211 1 4 . 1 1 503 503 TYR CB C 503 38.707 38.707 38.232 0.475 19516 1212 1 4 . 1 1 503 503 TYR H H 503 7.817 7.817 7.797 0.020 19516 1213 1 4 . 1 1 504 504 LEU N N 504 120.133 120.133 117.891 2.242 19516 1214 1 4 . 1 1 504 504 LEU HA H 504 3.857 3.857 3.759 0.098 19516 1215 1 4 . 1 1 504 504 LEU C C 504 178.616 178.616 178.976 -0.360 19516 1216 1 4 . 1 1 504 504 LEU CA C 504 58.200 58.200 58.501 -0.300 19516 1217 1 4 . 1 1 504 504 LEU CB C 504 41.066 41.066 41.238 -0.172 19516 1218 1 4 . 1 1 504 504 LEU H H 504 8.175 8.175 8.373 -0.199 19516 1219 1 4 . 1 1 505 505 ASP N N 505 117.709 117.709 117.962 -0.253 19516 1220 1 4 . 1 1 505 505 ASP HA H 505 4.307 4.307 4.216 0.091 19516 1221 1 4 . 1 1 505 505 ASP C C 505 179.849 179.849 178.873 0.976 19516 1222 1 4 . 1 1 505 505 ASP CA C 505 57.578 57.578 57.284 0.294 19516 1223 1 4 . 1 1 505 505 ASP CB C 505 39.811 39.811 39.741 0.070 19516 1224 1 4 . 1 1 505 505 ASP H H 505 8.308 8.308 7.930 0.378 19516 1225 1 4 . 1 1 506 506 GLU N N 506 121.244 121.244 118.587 2.657 19516 1226 1 4 . 1 1 506 506 GLU HA H 506 4.038 4.038 4.102 -0.064 19516 1227 1 4 . 1 1 506 506 GLU C C 506 179.957 179.957 178.785 1.172 19516 1228 1 4 . 1 1 506 506 GLU CA C 506 59.786 59.786 58.432 1.354 19516 1229 1 4 . 1 1 506 506 GLU CB C 506 29.644 29.644 29.171 0.473 19516 1230 1 4 . 1 1 506 506 GLU H H 506 7.657 7.657 7.897 -0.240 19516 1231 1 4 . 1 1 507 507 LEU N N 507 121.550 121.550 119.623 1.927 19516 1232 1 4 . 1 1 507 507 LEU HA H 507 3.860 3.860 4.102 -0.242 19516 1233 1 4 . 1 1 507 507 LEU C C 507 178.973 178.973 178.683 0.290 19516 1234 1 4 . 1 1 507 507 LEU CA C 507 57.925 57.925 57.294 0.631 19516 1235 1 4 . 1 1 507 507 LEU CB C 507 41.882 41.882 41.673 0.209 19516 1236 1 4 . 1 1 507 507 LEU H H 507 8.255 8.255 8.046 0.209 19516 1237 1 4 . 1 1 508 508 VAL N N 508 121.174 121.174 120.708 0.466 19516 1238 1 4 . 1 1 508 508 VAL HA H 508 3.522 3.522 3.533 -0.011 19516 1239 1 4 . 1 1 508 508 VAL C C 508 178.831 178.831 178.078 0.753 19516 1240 1 4 . 1 1 508 508 VAL CA C 508 67.098 67.098 67.389 -0.291 19516 1241 1 4 . 1 1 508 508 VAL CB C 508 31.988 31.988 30.786 1.202 19516 1242 1 4 . 1 1 508 508 VAL H H 508 8.679 8.679 8.496 0.183 19516 1243 1 4 . 1 1 509 509 GLU N N 509 120.516 120.516 119.845 0.671 19516 1244 1 4 . 1 1 509 509 GLU HA H 509 4.286 4.286 3.962 0.324 19516 1245 1 4 . 1 1 509 509 GLU C C 509 178.354 178.354 179.010 -0.656 19516 1246 1 4 . 1 1 509 509 GLU CA C 509 58.837 58.837 59.958 -1.121 19516 1247 1 4 . 1 1 509 509 GLU CB C 509 28.859 28.859 29.523 -0.664 19516 1248 1 4 . 1 1 509 509 GLU H H 509 7.534 7.534 7.845 -0.311 19516 1249 1 4 . 1 1 510 510 LEU N N 510 121.442 121.442 119.732 1.710 19516 1250 1 4 . 1 1 510 510 LEU HA H 510 4.141 4.141 3.931 0.210 19516 1251 1 4 . 1 1 510 510 LEU C C 510 177.961 177.961 178.867 -0.906 19516 1252 1 4 . 1 1 510 510 LEU CA C 510 57.722 57.722 58.492 -0.770 19516 1253 1 4 . 1 1 510 510 LEU CB C 510 41.776 41.776 41.702 0.074 19516 1254 1 4 . 1 1 510 510 LEU H H 510 8.018 8.018 7.495 0.523 19516 1255 1 4 . 1 1 511 511 HIS N N 511 119.858 119.858 118.423 1.435 19516 1256 1 4 . 1 1 511 511 HIS HA H 511 3.708 3.708 4.051 -0.343 19516 1257 1 4 . 1 1 511 511 HIS C C 511 176.325 176.325 177.212 -0.887 19516 1258 1 4 . 1 1 511 511 HIS CA C 511 62.252 62.252 60.410 1.842 19516 1259 1 4 . 1 1 511 511 HIS CB C 511 31.459 31.459 29.755 1.704 19516 1260 1 4 . 1 1 511 511 HIS H H 511 9.028 9.028 8.799 0.229 19516 1261 1 4 . 1 1 512 512 ARG N N 512 117.523 117.523 119.423 -1.900 19516 1262 1 4 . 1 1 512 512 ARG HA H 512 3.859 3.859 3.816 0.043 19516 1263 1 4 . 1 1 512 512 ARG C C 512 179.801 179.801 178.681 1.120 19516 1264 1 4 . 1 1 512 512 ARG CA C 512 59.584 59.584 59.319 0.265 19516 1265 1 4 . 1 1 512 512 ARG CB C 512 30.154 30.154 29.943 0.211 19516 1266 1 4 . 1 1 512 512 ARG H H 512 7.942 7.942 8.703 -0.761 19516 1267 1 4 . 1 1 513 513 ARG N N 513 117.870 117.870 119.798 -1.928 19516 1268 1 4 . 1 1 513 513 ARG HA H 513 4.041 4.041 4.023 0.018 19516 1269 1 4 . 1 1 513 513 ARG C C 513 179.852 179.852 178.904 0.948 19516 1270 1 4 . 1 1 513 513 ARG CA C 513 58.766 58.766 59.301 -0.535 19516 1271 1 4 . 1 1 513 513 ARG CB C 513 30.582 30.582 29.952 0.630 19516 1272 1 4 . 1 1 513 513 ARG H H 513 7.845 7.845 8.317 -0.472 19516 1273 1 4 . 1 1 514 514 LEU N N 514 119.343 119.343 119.659 -0.316 19516 1274 1 4 . 1 1 514 514 LEU HA H 514 4.031 4.031 3.958 0.073 19516 1275 1 4 . 1 1 514 514 LEU C C 514 178.922 178.922 178.035 0.887 19516 1276 1 4 . 1 1 514 514 LEU CA C 514 57.671 57.671 57.736 -0.065 19516 1277 1 4 . 1 1 514 514 LEU CB C 514 41.926 41.926 42.008 -0.082 19516 1278 1 4 . 1 1 514 514 LEU H H 514 8.753 8.753 8.331 0.422 19516 1279 1 4 . 1 1 515 515 MET N N 515 115.167 115.167 116.004 -0.837 19516 1280 1 4 . 1 1 515 515 MET HA H 515 4.397 4.397 4.011 0.386 19516 1281 1 4 . 1 1 515 515 MET C C 515 177.921 177.921 177.174 0.747 19516 1282 1 4 . 1 1 515 515 MET CA C 515 56.895 56.895 57.912 -1.017 19516 1283 1 4 . 1 1 515 515 MET CB C 515 31.659 31.659 33.348 -1.689 19516 1284 1 4 . 1 1 515 515 MET H H 515 7.810 7.810 8.174 -0.364 19516 1285 1 4 . 1 1 516 516 THR N N 516 106.551 106.551 107.815 -1.264 19516 1286 1 4 . 1 1 516 516 THR HA H 516 4.441 4.441 4.273 0.168 19516 1287 1 4 . 1 1 516 516 THR C C 516 174.390 174.390 175.604 -1.214 19516 1288 1 4 . 1 1 516 516 THR CA C 516 61.133 61.133 62.013 -0.880 19516 1289 1 4 . 1 1 516 516 THR CB C 516 69.787 69.787 69.592 0.195 19516 1290 1 4 . 1 1 516 516 THR H H 516 7.269 7.269 7.384 -0.115 19516 1291 1 4 . 1 1 517 517 LEU N N 517 123.805 123.805 123.435 0.370 19516 1292 1 4 . 1 1 517 517 LEU HA H 517 4.283 4.283 4.170 0.113 19516 1293 1 4 . 1 1 517 517 LEU C C 517 177.241 177.241 175.786 1.455 19516 1294 1 4 . 1 1 517 517 LEU CA C 517 56.137 56.137 56.620 -0.483 19516 1295 1 4 . 1 1 517 517 LEU CB C 517 42.974 42.974 42.627 0.347 19516 1296 1 4 . 1 1 517 517 LEU H H 517 7.036 7.036 7.597 -0.561 19516 1297 1 4 . 1 1 518 518 ARG N N 518 122.669 122.669 127.120 -4.451 19516 1298 1 4 . 1 1 518 518 ARG HA H 518 4.598 4.598 4.524 0.074 19516 1299 1 4 . 1 1 518 518 ARG C C 518 175.915 175.915 175.067 0.848 19516 1300 1 4 . 1 1 518 518 ARG CA C 518 54.831 54.831 55.953 -1.122 19516 1301 1 4 . 1 1 518 518 ARG CB C 518 32.442 32.442 30.581 1.861 19516 1302 1 4 . 1 1 518 518 ARG H H 518 9.040 9.040 8.262 0.778 19516 1303 1 4 . 1 1 519 519 GLU N N 519 121.385 121.385 121.999 -0.614 19516 1304 1 4 . 1 1 519 519 GLU HA H 519 4.295 4.295 4.580 -0.284 19516 1305 1 4 . 1 1 519 519 GLU C C 519 177.016 177.016 177.075 -0.059 19516 1306 1 4 . 1 1 519 519 GLU CA C 519 57.380 57.380 55.935 1.445 19516 1307 1 4 . 1 1 519 519 GLU CB C 519 30.017 30.017 30.002 0.015 19516 1308 1 4 . 1 1 519 519 GLU H H 519 7.172 7.172 8.352 -1.180 19516 1309 1 4 . 1 1 520 520 ARG N N 520 128.171 128.171 125.250 2.921 19516 1310 1 4 . 1 1 520 520 ARG HA H 520 3.811 3.811 3.907 -0.096 19516 1311 1 4 . 1 1 520 520 ARG C C 520 177.930 177.930 177.928 0.002 19516 1312 1 4 . 1 1 520 520 ARG CA C 520 60.867 60.867 59.416 1.451 19516 1313 1 4 . 1 1 520 520 ARG CB C 520 30.187 30.187 29.989 0.198 19516 1314 1 4 . 1 1 520 520 ARG H H 520 8.918 8.918 8.824 0.094 19516 1315 1 4 . 1 1 521 521 HIS N N 521 116.808 116.808 117.571 -0.763 19516 1316 1 4 . 1 1 521 521 HIS HA H 521 4.402 4.402 4.317 0.085 19516 1317 1 4 . 1 1 521 521 HIS C C 521 177.637 177.637 177.077 0.560 19516 1318 1 4 . 1 1 521 521 HIS CA C 521 59.645 59.645 59.054 0.591 19516 1319 1 4 . 1 1 521 521 HIS CB C 521 28.425 28.425 29.534 -1.109 19516 1320 1 4 . 1 1 521 521 HIS H H 521 9.073 9.073 8.142 0.931 19516 1321 1 4 . 1 1 522 522 ILE N N 522 119.592 119.592 119.085 0.507 19516 1322 1 4 . 1 1 522 522 ILE HA H 522 3.896 3.896 3.779 0.117 19516 1323 1 4 . 1 1 522 522 ILE C C 522 177.866 177.866 177.824 0.042 19516 1324 1 4 . 1 1 522 522 ILE CA C 522 63.397 63.397 62.292 1.105 19516 1325 1 4 . 1 1 522 522 ILE CB C 522 37.650 37.650 37.141 0.509 19516 1326 1 4 . 1 1 522 522 ILE H H 522 7.088 7.088 8.360 -1.272 19516 1327 1 4 . 1 1 523 523 LEU N N 523 119.719 119.719 119.511 0.208 19516 1328 1 4 . 1 1 523 523 LEU HA H 523 3.819 3.819 3.847 -0.028 19516 1329 1 4 . 1 1 523 523 LEU C C 523 178.379 178.379 179.270 -0.891 19516 1330 1 4 . 1 1 523 523 LEU CA C 523 58.386 58.386 58.132 0.254 19516 1331 1 4 . 1 1 523 523 LEU CB C 523 41.318 41.318 40.716 0.602 19516 1332 1 4 . 1 1 523 523 LEU H H 523 7.905 7.905 7.810 0.095 19516 1333 1 4 . 1 1 524 524 GLN N N 524 116.700 116.700 117.574 -0.874 19516 1334 1 4 . 1 1 524 524 GLN HA H 524 3.552 3.552 3.977 -0.425 19516 1335 1 4 . 1 1 524 524 GLN C C 524 177.441 177.441 178.018 -0.577 19516 1336 1 4 . 1 1 524 524 GLN CA C 524 58.259 58.259 58.455 -0.196 19516 1337 1 4 . 1 1 524 524 GLN CB C 524 29.097 29.097 28.242 0.855 19516 1338 1 4 . 1 1 524 524 GLN H H 524 8.265 8.265 7.662 0.603 19516 1339 1 4 . 1 1 525 525 GLN N N 525 117.608 117.608 119.071 -1.463 19516 1340 1 4 . 1 1 525 525 GLN HA H 525 3.777 3.777 3.693 0.084 19516 1341 1 4 . 1 1 525 525 GLN C C 525 179.278 179.278 178.356 0.922 19516 1342 1 4 . 1 1 525 525 GLN CA C 525 58.986 58.986 58.181 0.805 19516 1343 1 4 . 1 1 525 525 GLN CB C 525 28.545 28.545 27.643 0.902 19516 1344 1 4 . 1 1 525 525 GLN H H 525 7.300 7.300 7.813 -0.513 19516 1345 1 4 . 1 1 526 526 ILE N N 526 119.883 119.883 120.126 -0.243 19516 1346 1 4 . 1 1 526 526 ILE HA H 526 3.434 3.434 3.454 -0.020 19516 1347 1 4 . 1 1 526 526 ILE C C 526 176.638 176.638 177.792 -1.154 19516 1348 1 4 . 1 1 526 526 ILE CA C 526 66.116 66.116 64.317 1.799 19516 1349 1 4 . 1 1 526 526 ILE CB C 526 37.581 37.581 37.344 0.237 19516 1350 1 4 . 1 1 526 526 ILE H H 526 8.039 8.039 7.485 0.554 19516 1351 1 4 . 1 1 527 527 VAL N N 527 119.535 119.535 119.665 -0.130 19516 1352 1 4 . 1 1 527 527 VAL HA H 527 2.791 2.791 2.951 -0.160 19516 1353 1 4 . 1 1 527 527 VAL C C 527 176.957 176.957 177.469 -0.512 19516 1354 1 4 . 1 1 527 527 VAL CA C 527 66.371 66.371 66.875 -0.504 19516 1355 1 4 . 1 1 527 527 VAL CB C 527 30.623 30.623 30.919 -0.296 19516 1356 1 4 . 1 1 527 527 VAL H H 527 8.052 8.052 7.228 0.824 19516 1357 1 4 . 1 1 528 528 ASN N N 528 117.957 117.957 115.500 2.457 19516 1358 1 4 . 1 1 528 528 ASN HA H 528 4.138 4.138 4.303 -0.165 19516 1359 1 4 . 1 1 528 528 ASN C C 528 178.148 178.148 177.672 0.476 19516 1360 1 4 . 1 1 528 528 ASN CA C 528 55.696 55.696 55.606 0.090 19516 1361 1 4 . 1 1 528 528 ASN CB C 528 37.192 37.192 37.879 -0.687 19516 1362 1 4 . 1 1 528 528 ASN H H 528 8.172 8.172 7.637 0.535 19516 1363 1 4 . 1 1 529 529 LEU N N 529 120.654 120.654 121.374 -0.720 19516 1364 1 4 . 1 1 529 529 LEU HA H 529 4.166 4.166 4.158 0.008 19516 1365 1 4 . 1 1 529 529 LEU C C 529 178.908 178.908 178.291 0.617 19516 1366 1 4 . 1 1 529 529 LEU CA C 529 57.870 57.870 57.702 0.168 19516 1367 1 4 . 1 1 529 529 LEU CB C 529 42.512 42.512 41.408 1.104 19516 1368 1 4 . 1 1 529 529 LEU H H 529 7.666 7.666 7.761 -0.095 19516 1369 1 4 . 1 1 530 530 ILE N N 530 117.213 117.213 116.669 0.544 19516 1370 1 4 . 1 1 530 530 ILE HA H 530 3.677 3.677 3.961 -0.284 19516 1371 1 4 . 1 1 530 530 ILE C C 530 180.762 180.762 177.989 2.773 19516 1372 1 4 . 1 1 530 530 ILE CA C 530 61.592 61.592 64.052 -2.460 19516 1373 1 4 . 1 1 530 530 ILE CB C 530 34.726 34.726 37.584 -2.858 19516 1374 1 4 . 1 1 530 530 ILE H H 530 8.543 8.543 7.933 0.610 19516 1375 1 4 . 1 1 531 531 GLU N N 531 124.050 124.050 120.259 3.791 19516 1376 1 4 . 1 1 531 531 GLU HA H 531 3.940 3.940 4.060 -0.120 19516 1377 1 4 . 1 1 531 531 GLU C C 531 178.698 178.698 179.565 -0.867 19516 1378 1 4 . 1 1 531 531 GLU CA C 531 59.763 59.763 59.620 0.143 19516 1379 1 4 . 1 1 531 531 GLU CB C 531 27.691 27.691 28.657 -0.966 19516 1380 1 4 . 1 1 531 531 GLU H H 531 9.276 9.276 8.562 0.714 19516 1381 1 4 . 1 1 532 532 GLU N N 532 116.396 116.396 117.181 -0.785 19516 1382 1 4 . 1 1 532 532 GLU HA H 532 3.995 3.995 4.176 -0.181 19516 1383 1 4 . 1 1 532 532 GLU C C 532 178.030 178.030 178.520 -0.490 19516 1384 1 4 . 1 1 532 532 GLU CA C 532 58.903 58.903 58.688 0.215 19516 1385 1 4 . 1 1 532 532 GLU CB C 532 29.666 29.666 29.344 0.322 19516 1386 1 4 . 1 1 532 532 GLU H H 532 7.003 7.003 7.762 -0.759 19516 1387 1 4 . 1 1 533 533 THR N N 533 107.227 107.227 112.387 -5.160 19516 1388 1 4 . 1 1 533 533 THR HA H 533 4.328 4.328 4.222 0.106 19516 1389 1 4 . 1 1 533 533 THR C C 533 176.559 176.559 175.338 1.221 19516 1390 1 4 . 1 1 533 533 THR CA C 533 63.112 63.112 63.770 -0.658 19516 1391 1 4 . 1 1 533 533 THR CB C 533 71.513 71.513 69.709 1.804 19516 1392 1 4 . 1 1 533 533 THR H H 533 7.611 7.611 7.422 0.189 19516 1393 1 4 . 1 1 534 534 GLY N N 534 106.448 106.448 110.782 -4.334 19516 1394 1 4 . 1 1 534 534 GLY C C 534 174.199 174.199 172.740 1.459 19516 1395 1 4 . 1 1 534 534 GLY CA C 534 45.527 45.527 45.088 0.439 19516 1396 1 4 . 1 1 534 534 GLY H H 534 7.618 7.618 8.500 -0.882 19516 1397 1 4 . 1 1 535 535 HIS N N 535 121.292 121.292 119.173 2.119 19516 1398 1 4 . 1 1 535 535 HIS HA H 535 4.909 4.909 4.401 0.508 19516 1399 1 4 . 1 1 535 535 HIS C C 535 172.641 172.641 172.969 -0.328 19516 1400 1 4 . 1 1 535 535 HIS CA C 535 53.806 53.806 55.452 -1.646 19516 1401 1 4 . 1 1 535 535 HIS CB C 535 27.013 27.013 30.002 -2.989 19516 1402 1 4 . 1 1 535 535 HIS H H 535 8.430 8.430 8.166 0.264 19516 1403 1 4 . 1 1 536 536 PHE N N 536 115.908 115.908 115.267 0.641 19516 1404 1 4 . 1 1 536 536 PHE HA H 536 5.282 5.282 4.627 0.655 19516 1405 1 4 . 1 1 536 536 PHE C C 536 173.438 173.438 173.583 -0.145 19516 1406 1 4 . 1 1 536 536 PHE CA C 536 55.736 55.736 56.568 -0.832 19516 1407 1 4 . 1 1 536 536 PHE CB C 536 42.099 42.099 40.782 1.317 19516 1408 1 4 . 1 1 536 536 PHE H H 536 7.173 7.173 7.055 0.118 19516 1409 1 4 . 1 1 537 537 HIS N N 537 117.767 117.767 119.854 -2.087 19516 1410 1 4 . 1 1 537 537 HIS HA H 537 4.667 4.667 4.987 -0.320 19516 1411 1 4 . 1 1 537 537 HIS C C 537 172.182 172.182 174.648 -2.466 19516 1412 1 4 . 1 1 537 537 HIS CA C 537 55.264 55.264 55.077 0.187 19516 1413 1 4 . 1 1 537 537 HIS CB C 537 32.118 32.118 30.526 1.592 19516 1414 1 4 . 1 1 537 537 HIS H H 537 9.185 9.185 8.375 0.810 19516 1415 1 4 . 1 1 538 538 ILE N N 538 123.861 123.861 125.428 -1.567 19516 1416 1 4 . 1 1 538 538 ILE HA H 538 4.986 4.986 4.504 0.482 19516 1417 1 4 . 1 1 538 538 ILE C C 538 176.686 176.686 176.137 0.549 19516 1418 1 4 . 1 1 538 538 ILE CA C 538 60.271 60.271 61.649 -1.378 19516 1419 1 4 . 1 1 538 538 ILE CB C 538 39.400 39.400 39.128 0.272 19516 1420 1 4 . 1 1 538 538 ILE H H 538 8.649 8.649 8.925 -0.276 19516 1421 1 4 . 1 1 539 539 THR N N 539 119.438 119.438 121.301 -1.863 19516 1422 1 4 . 1 1 539 539 THR HA H 539 4.726 4.726 4.698 0.028 19516 1423 1 4 . 1 1 539 539 THR C C 539 173.788 173.788 174.125 -0.337 19516 1424 1 4 . 1 1 539 539 THR CA C 539 60.256 60.256 60.763 -0.507 19516 1425 1 4 . 1 1 539 539 THR CB C 539 70.391 70.391 71.384 -0.993 19516 1426 1 4 . 1 1 539 539 THR H H 539 9.118 9.118 8.331 0.787 19516 1427 1 4 . 1 1 540 540 ASN N N 540 114.191 114.191 119.268 -5.077 19516 1428 1 4 . 1 1 540 540 ASN HA H 540 4.542 4.542 4.437 0.105 19516 1429 1 4 . 1 1 540 540 ASN C C 540 176.815 176.815 174.563 2.252 19516 1430 1 4 . 1 1 540 540 ASN CA C 540 56.202 56.202 55.535 0.667 19516 1431 1 4 . 1 1 540 540 ASN CB C 540 38.371 38.371 37.860 0.511 19516 1432 1 4 . 1 1 540 540 ASN H H 540 8.569 8.569 8.941 -0.372 19516 1433 1 4 . 1 1 541 541 THR N N 541 102.711 102.711 114.443 -11.732 19516 1434 1 4 . 1 1 541 541 THR HA H 541 4.688 4.688 4.776 -0.088 19516 1435 1 4 . 1 1 541 541 THR C C 541 175.793 175.793 173.267 2.526 19516 1436 1 4 . 1 1 541 541 THR CA C 541 61.897 61.897 61.884 0.013 19516 1437 1 4 . 1 1 541 541 THR CB C 541 71.614 71.614 69.398 2.216 19516 1438 1 4 . 1 1 541 541 THR H H 541 7.913 7.913 8.316 -0.403 19516 1439 1 4 . 1 1 542 542 THR N N 542 115.756 115.756 115.808 -0.052 19516 1440 1 4 . 1 1 542 542 THR HA H 542 5.196 5.196 4.556 0.640 19516 1441 1 4 . 1 1 542 542 THR C C 542 170.174 170.174 172.210 -2.036 19516 1442 1 4 . 1 1 542 542 THR CA C 542 61.241 61.241 62.124 -0.883 19516 1443 1 4 . 1 1 542 542 THR CB C 542 72.559 72.559 70.422 2.137 19516 1444 1 4 . 1 1 542 542 THR H H 542 8.164 8.164 8.080 0.084 19516 1445 1 4 . 1 1 543 543 PHE N N 543 122.724 122.724 122.582 0.142 19516 1446 1 4 . 1 1 543 543 PHE HA H 543 4.754 4.754 4.850 -0.096 19516 1447 1 4 . 1 1 543 543 PHE C C 543 173.268 173.268 173.499 -0.231 19516 1448 1 4 . 1 1 543 543 PHE CA C 543 57.809 57.809 57.408 0.400 19516 1449 1 4 . 1 1 543 543 PHE CB C 543 41.077 41.077 40.875 0.202 19516 1450 1 4 . 1 1 543 543 PHE H H 543 9.363 9.363 8.416 0.947 19516 1451 1 4 . 1 1 544 544 ASP N N 544 128.063 128.063 128.136 -0.073 19516 1452 1 4 . 1 1 544 544 ASP HA H 544 6.057 6.057 4.844 1.213 19516 1453 1 4 . 1 1 544 544 ASP C C 544 175.674 175.674 174.031 1.643 19516 1454 1 4 . 1 1 544 544 ASP CA C 544 52.913 52.913 52.624 0.289 19516 1455 1 4 . 1 1 544 544 ASP CB C 544 42.879 42.879 43.511 -0.632 19516 1456 1 4 . 1 1 544 544 ASP H H 544 8.751 8.751 8.224 0.527 19516 1457 1 4 . 1 1 545 545 PHE N N 545 114.137 114.137 117.889 -3.752 19516 1458 1 4 . 1 1 545 545 PHE HA H 545 4.925 4.925 4.732 0.193 19516 1459 1 4 . 1 1 545 545 PHE C C 545 171.897 171.897 173.360 -1.463 19516 1460 1 4 . 1 1 545 545 PHE CA C 545 56.380 56.380 56.320 0.060 19516 1461 1 4 . 1 1 545 545 PHE CB C 545 41.371 41.371 41.190 0.181 19516 1462 1 4 . 1 1 545 545 PHE H H 545 8.662 8.662 7.864 0.798 19516 1463 1 4 . 1 1 546 546 ASP N N 546 121.001 121.001 121.942 -0.941 19516 1464 1 4 . 1 1 546 546 ASP HA H 546 5.019 5.019 4.832 0.187 19516 1465 1 4 . 1 1 546 546 ASP C C 546 178.950 178.950 176.959 1.991 19516 1466 1 4 . 1 1 546 546 ASP CA C 546 52.045 52.045 52.861 -0.816 19516 1467 1 4 . 1 1 546 546 ASP CB C 546 43.129 43.129 42.536 0.593 19516 1468 1 4 . 1 1 546 546 ASP H H 546 9.219 9.219 8.666 0.553 19516 1469 1 4 . 1 1 547 547 LEU N N 547 126.156 126.156 122.381 3.775 19516 1470 1 4 . 1 1 547 547 LEU HA H 547 4.104 4.104 4.375 -0.271 19516 1471 1 4 . 1 1 547 547 LEU C C 547 178.679 178.679 178.351 0.328 19516 1472 1 4 . 1 1 547 547 LEU CA C 547 58.272 58.272 56.684 1.588 19516 1473 1 4 . 1 1 547 547 LEU CB C 547 43.101 43.101 41.517 1.584 19516 1474 1 4 . 1 1 547 547 LEU H H 547 8.623 8.623 8.637 -0.014 19516 1475 1 4 . 1 1 548 548 CYS N N 548 113.743 113.743 117.103 -3.360 19516 1476 1 4 . 1 1 548 548 CYS HA H 548 4.021 4.021 4.475 -0.454 19516 1477 1 4 . 1 1 548 548 CYS C C 548 174.884 174.884 175.732 -0.848 19516 1478 1 4 . 1 1 548 548 CYS CA C 548 61.823 61.823 59.408 2.415 19516 1479 1 4 . 1 1 548 548 CYS CB C 548 27.228 27.228 27.096 0.132 19516 1480 1 4 . 1 1 548 548 CYS H H 548 8.820 8.820 7.969 0.851 19516 1481 1 4 . 1 1 549 549 SER N N 549 113.613 113.613 115.343 -1.730 19516 1482 1 4 . 1 1 549 549 SER HA H 549 4.456 4.456 4.325 0.131 19516 1483 1 4 . 1 1 549 549 SER C C 549 173.519 173.519 174.273 -0.754 19516 1484 1 4 . 1 1 549 549 SER CA C 549 58.515 58.515 58.329 0.186 19516 1485 1 4 . 1 1 549 549 SER CB C 549 64.459 64.459 62.764 1.695 19516 1486 1 4 . 1 1 549 549 SER H H 549 7.720 7.720 7.513 0.207 19516 1487 1 4 . 1 1 550 550 LEU N N 550 118.126 118.126 121.930 -3.804 19516 1488 1 4 . 1 1 550 550 LEU HA H 550 4.471 4.471 4.459 0.012 19516 1489 1 4 . 1 1 550 550 LEU C C 550 176.903 176.903 176.002 0.901 19516 1490 1 4 . 1 1 550 550 LEU CA C 550 53.498 53.498 54.440 -0.942 19516 1491 1 4 . 1 1 550 550 LEU CB C 550 43.619 43.619 43.063 0.556 19516 1492 1 4 . 1 1 550 550 LEU H H 550 6.779 6.779 7.377 -0.598 19516 1493 1 4 . 1 1 551 551 ASP N N 551 121.893 121.893 119.402 2.491 19516 1494 1 4 . 1 1 551 551 ASP HA H 551 4.665 4.665 4.914 -0.249 19516 1495 1 4 . 1 1 551 551 ASP C C 551 176.382 176.382 177.015 -0.633 19516 1496 1 4 . 1 1 551 551 ASP CA C 551 53.535 53.535 52.745 0.790 19516 1497 1 4 . 1 1 551 551 ASP CB C 551 42.051 42.051 43.436 -1.385 19516 1498 1 4 . 1 1 551 551 ASP H H 551 9.082 9.082 8.414 0.668 19516 1499 1 4 . 1 1 552 552 LYS N N 552 121.414 121.414 122.726 -1.312 19516 1500 1 4 . 1 1 552 552 LYS HA H 552 4.149 4.149 4.061 0.088 19516 1501 1 4 . 1 1 552 552 LYS C C 552 179.021 179.021 178.335 0.686 19516 1502 1 4 . 1 1 552 552 LYS CA C 552 60.233 60.233 60.257 -0.023 19516 1503 1 4 . 1 1 552 552 LYS CB C 552 32.495 32.495 31.730 0.765 19516 1504 1 4 . 1 1 552 552 LYS H H 552 8.601 8.601 8.899 -0.298 19516 1505 1 4 . 1 1 553 553 THR N N 553 113.449 113.449 112.483 0.966 19516 1506 1 4 . 1 1 553 553 THR HA H 553 3.910 3.910 4.216 -0.306 19516 1507 1 4 . 1 1 553 553 THR C C 553 177.036 177.036 176.703 0.333 19516 1508 1 4 . 1 1 553 553 THR CA C 553 66.065 66.065 65.837 0.228 19516 1509 1 4 . 1 1 553 553 THR CB C 553 68.436 68.436 68.283 0.153 19516 1510 1 4 . 1 1 553 553 THR H H 553 8.244 8.244 8.227 0.017 19516 1511 1 4 . 1 1 554 554 THR N N 554 120.799 120.799 118.853 1.946 19516 1512 1 4 . 1 1 554 554 THR HA H 554 3.828 3.828 4.258 -0.430 19516 1513 1 4 . 1 1 554 554 THR C C 554 176.156 176.156 175.960 0.196 19516 1514 1 4 . 1 1 554 554 THR CA C 554 66.779 66.779 65.882 0.897 19516 1515 1 4 . 1 1 554 554 THR CB C 554 67.976 67.976 68.531 -0.555 19516 1516 1 4 . 1 1 554 554 THR H H 554 7.862 7.862 8.161 -0.299 19516 1517 1 4 . 1 1 555 555 VAL N N 555 122.618 122.618 122.306 0.312 19516 1518 1 4 . 1 1 555 555 VAL HA H 555 3.366 3.366 3.759 -0.393 19516 1519 1 4 . 1 1 555 555 VAL C C 555 177.296 177.296 177.401 -0.105 19516 1520 1 4 . 1 1 555 555 VAL CA C 555 68.041 68.041 66.426 1.615 19516 1521 1 4 . 1 1 555 555 VAL CB C 555 31.715 31.715 31.176 0.539 19516 1522 1 4 . 1 1 555 555 VAL H H 555 7.970 7.970 8.777 -0.807 19516 1523 1 4 . 1 1 556 556 ARG N N 556 118.700 118.700 119.481 -0.781 19516 1524 1 4 . 1 1 556 556 ARG HA H 556 4.420 4.420 4.141 0.279 19516 1525 1 4 . 1 1 556 556 ARG C C 556 180.076 180.076 178.765 1.311 19516 1526 1 4 . 1 1 556 556 ARG CA C 556 58.628 58.628 59.051 -0.423 19516 1527 1 4 . 1 1 556 556 ARG CB C 556 29.147 29.147 29.872 -0.725 19516 1528 1 4 . 1 1 556 556 ARG H H 556 8.342 8.342 7.689 0.653 19516 1529 1 4 . 1 1 557 557 LYS N N 557 120.947 120.947 119.501 1.446 19516 1530 1 4 . 1 1 557 557 LYS HA H 557 3.913 3.913 4.079 -0.166 19516 1531 1 4 . 1 1 557 557 LYS C C 557 178.774 178.774 178.954 -0.180 19516 1532 1 4 . 1 1 557 557 LYS CA C 557 59.270 59.270 58.802 0.468 19516 1533 1 4 . 1 1 557 557 LYS CB C 557 32.075 32.075 32.402 -0.327 19516 1534 1 4 . 1 1 557 557 LYS H H 557 7.670 7.670 7.526 0.144 19516 1535 1 4 . 1 1 558 558 LEU N N 558 120.582 120.582 121.097 -0.515 19516 1536 1 4 . 1 1 558 558 LEU HA H 558 3.704 3.704 4.236 -0.532 19516 1537 1 4 . 1 1 558 558 LEU C C 558 178.702 178.702 178.578 0.124 19516 1538 1 4 . 1 1 558 558 LEU CA C 558 58.682 58.682 57.982 0.700 19516 1539 1 4 . 1 1 558 558 LEU CB C 558 42.744 42.744 42.153 0.591 19516 1540 1 4 . 1 1 558 558 LEU H H 558 8.166 8.166 7.754 0.412 19516 1541 1 4 . 1 1 559 559 GLN N N 559 115.514 115.514 116.737 -1.223 19516 1542 1 4 . 1 1 559 559 GLN HA H 559 3.869 3.869 3.895 -0.026 19516 1543 1 4 . 1 1 559 559 GLN C C 559 179.502 179.502 177.969 1.533 19516 1544 1 4 . 1 1 559 559 GLN CA C 559 59.568 59.568 58.735 0.833 19516 1545 1 4 . 1 1 559 559 GLN CB C 559 28.527 28.527 28.443 0.084 19516 1546 1 4 . 1 1 559 559 GLN H H 559 8.441 8.441 8.341 0.100 19516 1547 1 4 . 1 1 560 560 SER N N 560 115.703 115.703 114.087 1.616 19516 1548 1 4 . 1 1 560 560 SER HA H 560 4.310 4.310 4.174 0.136 19516 1549 1 4 . 1 1 560 560 SER C C 560 176.997 176.997 176.757 0.240 19516 1550 1 4 . 1 1 560 560 SER CA C 560 61.535 61.535 61.179 0.356 19516 1551 1 4 . 1 1 560 560 SER CB C 560 62.810 62.810 62.945 -0.135 19516 1552 1 4 . 1 1 560 560 SER H H 560 7.883 7.883 7.538 0.345 19516 1553 1 4 . 1 1 561 561 TYR N N 561 121.470 121.470 121.658 -0.188 19516 1554 1 4 . 1 1 561 561 TYR HA H 561 4.667 4.667 4.167 0.500 19516 1555 1 4 . 1 1 561 561 TYR C C 561 178.019 178.019 178.193 -0.174 19516 1556 1 4 . 1 1 561 561 TYR CA C 561 57.854 57.854 61.037 -3.183 19516 1557 1 4 . 1 1 561 561 TYR CB C 561 36.842 36.842 38.176 -1.335 19516 1558 1 4 . 1 1 561 561 TYR H H 561 7.856 7.856 7.522 0.334 19516 1559 1 4 . 1 1 562 562 LEU N N 562 117.382 117.382 115.897 1.485 19516 1560 1 4 . 1 1 562 562 LEU HA H 562 4.233 4.233 4.116 0.117 19516 1561 1 4 . 1 1 562 562 LEU C C 562 178.086 178.086 177.398 0.688 19516 1562 1 4 . 1 1 562 562 LEU CA C 562 55.989 55.989 56.547 -0.558 19516 1563 1 4 . 1 1 562 562 LEU CB C 562 41.606 41.606 41.997 -0.391 19516 1564 1 4 . 1 1 562 562 LEU H H 562 7.618 7.618 7.407 0.211 19516 1565 1 4 . 1 1 563 563 GLU N N 563 119.602 119.602 118.172 1.430 19516 1566 1 4 . 1 1 563 563 GLU HA H 563 4.313 4.313 4.513 -0.200 19516 1567 1 4 . 1 1 563 563 GLU C C 563 177.407 177.407 175.648 1.759 19516 1568 1 4 . 1 1 563 563 GLU CA C 563 57.577 57.577 55.439 2.138 19516 1569 1 4 . 1 1 563 563 GLU CB C 563 30.072 30.072 30.046 0.026 19516 1570 1 4 . 1 1 563 563 GLU H H 563 7.724 7.724 7.985 -0.261 19516 1571 1 4 . 1 1 564 564 THR N N 564 112.400 112.400 115.191 -2.791 19516 1572 1 4 . 1 1 564 564 THR HA H 564 4.416 4.416 4.367 0.049 19516 1573 1 4 . 1 1 564 564 THR C C 564 174.998 174.998 175.001 -0.003 19516 1574 1 4 . 1 1 564 564 THR CA C 564 62.021 62.021 61.537 0.484 19516 1575 1 4 . 1 1 564 564 THR CB C 564 69.690 69.690 69.750 -0.060 19516 1576 1 4 . 1 1 564 564 THR H H 564 8.019 8.019 8.166 -0.147 19516 1577 1 4 . 1 1 565 565 SER N N 565 117.680 117.680 119.895 -2.215 19516 1578 1 4 . 1 1 565 565 SER HA H 565 4.463 4.463 4.277 0.186 19516 1579 1 4 . 1 1 565 565 SER C C 565 175.109 175.109 175.225 -0.116 19516 1580 1 4 . 1 1 565 565 SER CA C 565 58.814 58.814 58.231 0.583 19516 1581 1 4 . 1 1 565 565 SER CB C 565 63.945 63.945 63.414 0.531 19516 1582 1 4 . 1 1 565 565 SER H H 565 8.136 8.136 8.290 -0.154 19516 1583 1 4 . 1 1 566 566 GLY N N 566 111.023 111.023 109.267 1.756 19516 1584 1 4 . 1 1 566 566 GLY C C 566 174.384 174.384 174.728 -0.344 19516 1585 1 4 . 1 1 566 566 GLY CA C 566 45.575 45.575 45.038 0.537 19516 1586 1 4 . 1 1 566 566 GLY H H 566 8.510 8.510 8.875 -0.365 19516 1587 1 4 . 1 1 567 567 THR N N 567 113.077 113.077 113.093 -0.016 19516 1588 1 4 . 1 1 567 567 THR HA H 567 4.405 4.405 3.856 0.549 19516 1589 1 4 . 1 1 567 567 THR C C 567 173.995 173.995 174.745 -0.750 19516 1590 1 4 . 1 1 567 567 THR CA C 567 61.713 61.713 64.146 -2.433 19516 1591 1 4 . 1 1 567 567 THR CB C 567 70.013 70.013 68.272 1.741 19516 1592 1 4 . 1 1 567 567 THR H H 567 8.061 8.061 8.336 -0.275 19516 1593 1 5 . 1 1 501 501 LYS N N 501 125.415 125.415 119.987 5.428 19516 1594 1 5 . 1 1 501 501 LYS HA H 501 4.007 4.007 4.191 -0.184 19516 1595 1 5 . 1 1 501 501 LYS C C 501 177.113 177.113 177.548 -0.435 19516 1596 1 5 . 1 1 501 501 LYS CA C 501 59.115 59.115 57.477 1.637 19516 1597 1 5 . 1 1 501 501 LYS CB C 501 32.793 32.793 32.314 0.479 19516 1598 1 5 . 1 1 501 501 LYS H H 501 8.677 8.677 8.492 0.185 19516 1599 1 5 . 1 1 502 502 ALA N N 502 120.718 120.718 124.282 -3.564 19516 1600 1 5 . 1 1 502 502 ALA HA H 502 4.240 4.240 4.109 0.131 19516 1601 1 5 . 1 1 502 502 ALA C C 502 180.345 180.345 178.838 1.507 19516 1602 1 5 . 1 1 502 502 ALA CA C 502 54.738 54.738 54.599 0.139 19516 1603 1 5 . 1 1 502 502 ALA CB C 502 18.172 18.172 18.412 -0.240 19516 1604 1 5 . 1 1 502 502 ALA H H 502 8.382 8.382 7.757 0.625 19516 1605 1 5 . 1 1 503 503 TYR N N 503 120.200 120.200 120.130 0.070 19516 1606 1 5 . 1 1 503 503 TYR HA H 503 4.543 4.543 4.048 0.495 19516 1607 1 5 . 1 1 503 503 TYR C C 503 177.235 177.235 177.688 -0.453 19516 1608 1 5 . 1 1 503 503 TYR CA C 503 60.020 60.020 61.857 -1.837 19516 1609 1 5 . 1 1 503 503 TYR CB C 503 38.707 38.707 38.464 0.243 19516 1610 1 5 . 1 1 503 503 TYR H H 503 7.817 7.817 8.573 -0.756 19516 1611 1 5 . 1 1 504 504 LEU N N 504 120.133 120.133 118.002 2.131 19516 1612 1 5 . 1 1 504 504 LEU HA H 504 3.857 3.857 3.715 0.142 19516 1613 1 5 . 1 1 504 504 LEU C C 504 178.616 178.616 178.964 -0.348 19516 1614 1 5 . 1 1 504 504 LEU CA C 504 58.200 58.200 58.341 -0.141 19516 1615 1 5 . 1 1 504 504 LEU CB C 504 41.066 41.066 41.297 -0.231 19516 1616 1 5 . 1 1 504 504 LEU H H 504 8.175 8.175 8.231 -0.056 19516 1617 1 5 . 1 1 505 505 ASP N N 505 117.709 117.709 118.271 -0.562 19516 1618 1 5 . 1 1 505 505 ASP HA H 505 4.307 4.307 4.191 0.116 19516 1619 1 5 . 1 1 505 505 ASP C C 505 179.849 179.849 178.214 1.635 19516 1620 1 5 . 1 1 505 505 ASP CA C 505 57.578 57.578 57.753 -0.175 19516 1621 1 5 . 1 1 505 505 ASP CB C 505 39.811 39.811 40.696 -0.885 19516 1622 1 5 . 1 1 505 505 ASP H H 505 8.308 8.308 7.727 0.581 19516 1623 1 5 . 1 1 506 506 GLU N N 506 121.244 121.244 118.045 3.199 19516 1624 1 5 . 1 1 506 506 GLU HA H 506 4.038 4.038 4.035 0.003 19516 1625 1 5 . 1 1 506 506 GLU C C 506 179.957 179.957 178.882 1.075 19516 1626 1 5 . 1 1 506 506 GLU CA C 506 59.786 59.786 58.577 1.209 19516 1627 1 5 . 1 1 506 506 GLU CB C 506 29.644 29.644 29.123 0.521 19516 1628 1 5 . 1 1 506 506 GLU H H 506 7.657 7.657 7.906 -0.249 19516 1629 1 5 . 1 1 507 507 LEU N N 507 121.550 121.550 119.330 2.220 19516 1630 1 5 . 1 1 507 507 LEU HA H 507 3.860 3.860 4.144 -0.284 19516 1631 1 5 . 1 1 507 507 LEU C C 507 178.973 178.973 178.587 0.386 19516 1632 1 5 . 1 1 507 507 LEU CA C 507 57.925 57.925 57.122 0.803 19516 1633 1 5 . 1 1 507 507 LEU CB C 507 41.882 41.882 41.877 0.005 19516 1634 1 5 . 1 1 507 507 LEU H H 507 8.255 8.255 7.968 0.287 19516 1635 1 5 . 1 1 508 508 VAL N N 508 121.174 121.174 121.649 -0.475 19516 1636 1 5 . 1 1 508 508 VAL HA H 508 3.522 3.522 3.473 0.049 19516 1637 1 5 . 1 1 508 508 VAL C C 508 178.831 178.831 178.253 0.578 19516 1638 1 5 . 1 1 508 508 VAL CA C 508 67.098 67.098 67.618 -0.520 19516 1639 1 5 . 1 1 508 508 VAL CB C 508 31.988 31.988 31.521 0.467 19516 1640 1 5 . 1 1 508 508 VAL H H 508 8.679 8.679 8.310 0.369 19516 1641 1 5 . 1 1 509 509 GLU N N 509 120.516 120.516 119.211 1.305 19516 1642 1 5 . 1 1 509 509 GLU HA H 509 4.286 4.286 3.917 0.369 19516 1643 1 5 . 1 1 509 509 GLU C C 509 178.354 178.354 179.221 -0.867 19516 1644 1 5 . 1 1 509 509 GLU CA C 509 58.837 58.837 59.688 -0.851 19516 1645 1 5 . 1 1 509 509 GLU CB C 509 28.859 28.859 29.327 -0.468 19516 1646 1 5 . 1 1 509 509 GLU H H 509 7.534 7.534 7.980 -0.446 19516 1647 1 5 . 1 1 510 510 LEU N N 510 121.442 121.442 120.054 1.388 19516 1648 1 5 . 1 1 510 510 LEU HA H 510 4.141 4.141 3.941 0.200 19516 1649 1 5 . 1 1 510 510 LEU C C 510 177.961 177.961 178.476 -0.515 19516 1650 1 5 . 1 1 510 510 LEU CA C 510 57.722 57.722 58.465 -0.743 19516 1651 1 5 . 1 1 510 510 LEU CB C 510 41.776 41.776 41.545 0.231 19516 1652 1 5 . 1 1 510 510 LEU H H 510 8.018 8.018 7.590 0.428 19516 1653 1 5 . 1 1 511 511 HIS N N 511 119.858 119.858 118.601 1.257 19516 1654 1 5 . 1 1 511 511 HIS HA H 511 3.708 3.708 3.975 -0.267 19516 1655 1 5 . 1 1 511 511 HIS C C 511 176.325 176.325 177.221 -0.896 19516 1656 1 5 . 1 1 511 511 HIS CA C 511 62.252 62.252 60.664 1.588 19516 1657 1 5 . 1 1 511 511 HIS CB C 511 31.459 31.459 30.343 1.116 19516 1658 1 5 . 1 1 511 511 HIS H H 511 9.028 9.028 8.830 0.198 19516 1659 1 5 . 1 1 512 512 ARG N N 512 117.523 117.523 119.252 -1.729 19516 1660 1 5 . 1 1 512 512 ARG HA H 512 3.859 3.859 3.913 -0.054 19516 1661 1 5 . 1 1 512 512 ARG C C 512 179.801 179.801 178.763 1.038 19516 1662 1 5 . 1 1 512 512 ARG CA C 512 59.584 59.584 58.761 0.823 19516 1663 1 5 . 1 1 512 512 ARG CB C 512 30.154 30.154 29.688 0.466 19516 1664 1 5 . 1 1 512 512 ARG H H 512 7.942 7.942 8.665 -0.723 19516 1665 1 5 . 1 1 513 513 ARG N N 513 117.870 117.870 119.112 -1.242 19516 1666 1 5 . 1 1 513 513 ARG HA H 513 4.041 4.041 4.019 0.022 19516 1667 1 5 . 1 1 513 513 ARG C C 513 179.852 179.852 179.500 0.352 19516 1668 1 5 . 1 1 513 513 ARG CA C 513 58.766 58.766 59.268 -0.502 19516 1669 1 5 . 1 1 513 513 ARG CB C 513 30.582 30.582 30.079 0.503 19516 1670 1 5 . 1 1 513 513 ARG H H 513 7.845 7.845 8.313 -0.468 19516 1671 1 5 . 1 1 514 514 LEU N N 514 119.343 119.343 120.369 -1.026 19516 1672 1 5 . 1 1 514 514 LEU HA H 514 4.031 4.031 3.974 0.057 19516 1673 1 5 . 1 1 514 514 LEU C C 514 178.922 178.922 179.399 -0.477 19516 1674 1 5 . 1 1 514 514 LEU CA C 514 57.671 57.671 57.675 -0.004 19516 1675 1 5 . 1 1 514 514 LEU CB C 514 41.926 41.926 41.885 0.041 19516 1676 1 5 . 1 1 514 514 LEU H H 514 8.753 8.753 8.694 0.059 19516 1677 1 5 . 1 1 515 515 MET N N 515 115.167 115.167 118.135 -2.968 19516 1678 1 5 . 1 1 515 515 MET HA H 515 4.397 4.397 4.107 0.290 19516 1679 1 5 . 1 1 515 515 MET C C 515 177.921 177.921 177.227 0.694 19516 1680 1 5 . 1 1 515 515 MET CA C 515 56.895 56.895 58.060 -1.165 19516 1681 1 5 . 1 1 515 515 MET CB C 515 31.659 31.659 32.611 -0.952 19516 1682 1 5 . 1 1 515 515 MET H H 515 7.810 7.810 8.376 -0.566 19516 1683 1 5 . 1 1 516 516 THR N N 516 106.551 106.551 112.350 -5.799 19516 1684 1 5 . 1 1 516 516 THR HA H 516 4.441 4.441 4.395 0.046 19516 1685 1 5 . 1 1 516 516 THR C C 516 174.390 174.390 173.513 0.877 19516 1686 1 5 . 1 1 516 516 THR CA C 516 61.133 61.133 60.617 0.516 19516 1687 1 5 . 1 1 516 516 THR CB C 516 69.787 69.787 69.143 0.644 19516 1688 1 5 . 1 1 516 516 THR H H 516 7.269 7.269 7.575 -0.306 19516 1689 1 5 . 1 1 517 517 LEU N N 517 123.805 123.805 123.334 0.471 19516 1690 1 5 . 1 1 517 517 LEU HA H 517 4.283 4.283 4.429 -0.146 19516 1691 1 5 . 1 1 517 517 LEU C C 517 177.241 177.241 176.223 1.018 19516 1692 1 5 . 1 1 517 517 LEU CA C 517 56.137 56.137 54.930 1.207 19516 1693 1 5 . 1 1 517 517 LEU CB C 517 42.974 42.974 42.544 0.430 19516 1694 1 5 . 1 1 517 517 LEU H H 517 7.036 7.036 7.552 -0.516 19516 1695 1 5 . 1 1 518 518 ARG N N 518 122.669 122.669 123.793 -1.124 19516 1696 1 5 . 1 1 518 518 ARG HA H 518 4.598 4.598 4.461 0.137 19516 1697 1 5 . 1 1 518 518 ARG C C 518 175.915 175.915 175.609 0.306 19516 1698 1 5 . 1 1 518 518 ARG CA C 518 54.831 54.831 54.638 0.193 19516 1699 1 5 . 1 1 518 518 ARG CB C 518 32.442 32.442 30.837 1.605 19516 1700 1 5 . 1 1 518 518 ARG H H 518 9.040 9.040 8.486 0.554 19516 1701 1 5 . 1 1 519 519 GLU N N 519 121.385 121.385 120.877 0.508 19516 1702 1 5 . 1 1 519 519 GLU HA H 519 4.295 4.295 4.299 -0.004 19516 1703 1 5 . 1 1 519 519 GLU C C 519 177.016 177.016 176.955 0.061 19516 1704 1 5 . 1 1 519 519 GLU CA C 519 57.380 57.380 55.883 1.497 19516 1705 1 5 . 1 1 519 519 GLU CB C 519 30.017 30.017 29.166 0.851 19516 1706 1 5 . 1 1 519 519 GLU H H 519 7.172 7.172 7.992 -0.820 19516 1707 1 5 . 1 1 520 520 ARG N N 520 128.171 128.171 126.437 1.734 19516 1708 1 5 . 1 1 520 520 ARG HA H 520 3.811 3.811 3.953 -0.142 19516 1709 1 5 . 1 1 520 520 ARG C C 520 177.930 177.930 177.630 0.300 19516 1710 1 5 . 1 1 520 520 ARG CA C 520 60.867 60.867 59.444 1.423 19516 1711 1 5 . 1 1 520 520 ARG CB C 520 30.187 30.187 30.054 0.133 19516 1712 1 5 . 1 1 520 520 ARG H H 520 8.918 8.918 8.297 0.621 19516 1713 1 5 . 1 1 521 521 HIS N N 521 116.808 116.808 118.455 -1.647 19516 1714 1 5 . 1 1 521 521 HIS HA H 521 4.402 4.402 4.360 0.042 19516 1715 1 5 . 1 1 521 521 HIS C C 521 177.637 177.637 176.889 0.748 19516 1716 1 5 . 1 1 521 521 HIS CA C 521 59.645 59.645 58.464 1.181 19516 1717 1 5 . 1 1 521 521 HIS CB C 521 28.425 28.425 29.511 -1.086 19516 1718 1 5 . 1 1 521 521 HIS H H 521 9.073 9.073 8.330 0.743 19516 1719 1 5 . 1 1 522 522 ILE N N 522 119.592 119.592 119.902 -0.310 19516 1720 1 5 . 1 1 522 522 ILE HA H 522 3.896 3.896 3.694 0.202 19516 1721 1 5 . 1 1 522 522 ILE C C 522 177.866 177.866 177.405 0.461 19516 1722 1 5 . 1 1 522 522 ILE CA C 522 63.397 63.397 62.727 0.670 19516 1723 1 5 . 1 1 522 522 ILE CB C 522 37.650 37.650 37.904 -0.254 19516 1724 1 5 . 1 1 522 522 ILE H H 522 7.088 7.088 7.600 -0.512 19516 1725 1 5 . 1 1 523 523 LEU N N 523 119.719 119.719 120.191 -0.472 19516 1726 1 5 . 1 1 523 523 LEU HA H 523 3.819 3.819 3.759 0.060 19516 1727 1 5 . 1 1 523 523 LEU C C 523 178.379 178.379 178.951 -0.572 19516 1728 1 5 . 1 1 523 523 LEU CA C 523 58.386 58.386 58.748 -0.362 19516 1729 1 5 . 1 1 523 523 LEU CB C 523 41.318 41.318 41.285 0.033 19516 1730 1 5 . 1 1 523 523 LEU H H 523 7.905 7.905 7.939 -0.034 19516 1731 1 5 . 1 1 524 524 GLN N N 524 116.700 116.700 117.134 -0.434 19516 1732 1 5 . 1 1 524 524 GLN HA H 524 3.552 3.552 3.868 -0.316 19516 1733 1 5 . 1 1 524 524 GLN C C 524 177.441 177.441 178.086 -0.645 19516 1734 1 5 . 1 1 524 524 GLN CA C 524 58.259 58.259 58.863 -0.604 19516 1735 1 5 . 1 1 524 524 GLN CB C 524 29.097 29.097 28.487 0.610 19516 1736 1 5 . 1 1 524 524 GLN H H 524 8.265 8.265 7.684 0.581 19516 1737 1 5 . 1 1 525 525 GLN N N 525 117.608 117.608 118.974 -1.366 19516 1738 1 5 . 1 1 525 525 GLN HA H 525 3.777 3.777 3.802 -0.025 19516 1739 1 5 . 1 1 525 525 GLN C C 525 179.278 179.278 178.344 0.934 19516 1740 1 5 . 1 1 525 525 GLN CA C 525 58.986 58.986 58.113 0.873 19516 1741 1 5 . 1 1 525 525 GLN CB C 525 28.545 28.545 27.947 0.598 19516 1742 1 5 . 1 1 525 525 GLN H H 525 7.300 7.300 7.596 -0.296 19516 1743 1 5 . 1 1 526 526 ILE N N 526 119.883 119.883 119.888 -0.005 19516 1744 1 5 . 1 1 526 526 ILE HA H 526 3.434 3.434 3.287 0.147 19516 1745 1 5 . 1 1 526 526 ILE C C 526 176.638 176.638 177.751 -1.113 19516 1746 1 5 . 1 1 526 526 ILE CA C 526 66.116 66.116 65.152 0.964 19516 1747 1 5 . 1 1 526 526 ILE CB C 526 37.581 37.581 37.495 0.086 19516 1748 1 5 . 1 1 526 526 ILE H H 526 8.039 8.039 7.973 0.066 19516 1749 1 5 . 1 1 527 527 VAL N N 527 119.535 119.535 118.783 0.752 19516 1750 1 5 . 1 1 527 527 VAL HA H 527 2.791 2.791 3.091 -0.300 19516 1751 1 5 . 1 1 527 527 VAL C C 527 176.957 176.957 177.480 -0.523 19516 1752 1 5 . 1 1 527 527 VAL CA C 527 66.371 66.371 66.492 -0.121 19516 1753 1 5 . 1 1 527 527 VAL CB C 527 30.623 30.623 30.897 -0.274 19516 1754 1 5 . 1 1 527 527 VAL H H 527 8.052 8.052 7.437 0.615 19516 1755 1 5 . 1 1 528 528 ASN N N 528 117.957 117.957 116.011 1.946 19516 1756 1 5 . 1 1 528 528 ASN HA H 528 4.138 4.138 4.251 -0.113 19516 1757 1 5 . 1 1 528 528 ASN C C 528 178.148 178.148 177.488 0.660 19516 1758 1 5 . 1 1 528 528 ASN CA C 528 55.696 55.696 55.690 0.006 19516 1759 1 5 . 1 1 528 528 ASN CB C 528 37.192 37.192 38.484 -1.292 19516 1760 1 5 . 1 1 528 528 ASN H H 528 8.172 8.172 7.498 0.674 19516 1761 1 5 . 1 1 529 529 LEU N N 529 120.654 120.654 121.067 -0.413 19516 1762 1 5 . 1 1 529 529 LEU HA H 529 4.166 4.166 4.161 0.005 19516 1763 1 5 . 1 1 529 529 LEU C C 529 178.908 178.908 178.109 0.799 19516 1764 1 5 . 1 1 529 529 LEU CA C 529 57.870 57.870 57.734 0.136 19516 1765 1 5 . 1 1 529 529 LEU CB C 529 42.512 42.512 41.661 0.851 19516 1766 1 5 . 1 1 529 529 LEU H H 529 7.666 7.666 7.857 -0.191 19516 1767 1 5 . 1 1 530 530 ILE N N 530 117.213 117.213 115.221 1.992 19516 1768 1 5 . 1 1 530 530 ILE HA H 530 3.677 3.677 4.001 -0.324 19516 1769 1 5 . 1 1 530 530 ILE C C 530 180.762 180.762 178.094 2.668 19516 1770 1 5 . 1 1 530 530 ILE CA C 530 61.592 61.592 63.330 -1.738 19516 1771 1 5 . 1 1 530 530 ILE CB C 530 34.726 34.726 37.570 -2.844 19516 1772 1 5 . 1 1 530 530 ILE H H 530 8.543 8.543 7.694 0.849 19516 1773 1 5 . 1 1 531 531 GLU N N 531 124.050 124.050 121.325 2.725 19516 1774 1 5 . 1 1 531 531 GLU HA H 531 3.940 3.940 4.140 -0.200 19516 1775 1 5 . 1 1 531 531 GLU C C 531 178.698 178.698 178.640 0.058 19516 1776 1 5 . 1 1 531 531 GLU CA C 531 59.763 59.763 59.523 0.240 19516 1777 1 5 . 1 1 531 531 GLU CB C 531 27.691 27.691 29.287 -1.596 19516 1778 1 5 . 1 1 531 531 GLU H H 531 9.276 9.276 8.284 0.992 19516 1779 1 5 . 1 1 532 532 GLU N N 532 116.396 116.396 117.618 -1.222 19516 1780 1 5 . 1 1 532 532 GLU HA H 532 3.995 3.995 4.168 -0.173 19516 1781 1 5 . 1 1 532 532 GLU C C 532 178.030 178.030 178.431 -0.401 19516 1782 1 5 . 1 1 532 532 GLU CA C 532 58.903 58.903 58.364 0.539 19516 1783 1 5 . 1 1 532 532 GLU CB C 532 29.666 29.666 29.136 0.530 19516 1784 1 5 . 1 1 532 532 GLU H H 532 7.003 7.003 7.811 -0.808 19516 1785 1 5 . 1 1 533 533 THR N N 533 107.227 107.227 112.819 -5.592 19516 1786 1 5 . 1 1 533 533 THR HA H 533 4.328 4.328 4.335 -0.007 19516 1787 1 5 . 1 1 533 533 THR C C 533 176.559 176.559 175.742 0.817 19516 1788 1 5 . 1 1 533 533 THR CA C 533 63.112 63.112 63.840 -0.728 19516 1789 1 5 . 1 1 533 533 THR CB C 533 71.513 71.513 69.710 1.803 19516 1790 1 5 . 1 1 533 533 THR H H 533 7.611 7.611 7.660 -0.049 19516 1791 1 5 . 1 1 534 534 GLY N N 534 106.448 106.448 108.588 -2.140 19516 1792 1 5 . 1 1 534 534 GLY C C 534 174.199 174.199 174.404 -0.205 19516 1793 1 5 . 1 1 534 534 GLY CA C 534 45.527 45.527 45.071 0.456 19516 1794 1 5 . 1 1 534 534 GLY H H 534 7.618 7.618 7.896 -0.278 19516 1795 1 5 . 1 1 535 535 HIS N N 535 121.292 121.292 124.095 -2.803 19516 1796 1 5 . 1 1 535 535 HIS HA H 535 4.909 4.909 4.709 0.200 19516 1797 1 5 . 1 1 535 535 HIS C C 535 172.641 172.641 173.215 -0.574 19516 1798 1 5 . 1 1 535 535 HIS CA C 535 53.806 53.806 53.952 -0.146 19516 1799 1 5 . 1 1 535 535 HIS CB C 535 27.013 27.013 27.776 -0.763 19516 1800 1 5 . 1 1 535 535 HIS H H 535 8.430 8.430 8.184 0.246 19516 1801 1 5 . 1 1 536 536 PHE N N 536 115.908 115.908 118.266 -2.358 19516 1802 1 5 . 1 1 536 536 PHE HA H 536 5.282 5.282 4.672 0.610 19516 1803 1 5 . 1 1 536 536 PHE C C 536 173.438 173.438 173.555 -0.117 19516 1804 1 5 . 1 1 536 536 PHE CA C 536 55.736 55.736 55.991 -0.255 19516 1805 1 5 . 1 1 536 536 PHE CB C 536 42.099 42.099 41.210 0.889 19516 1806 1 5 . 1 1 536 536 PHE H H 536 7.173 7.173 7.109 0.064 19516 1807 1 5 . 1 1 537 537 HIS N N 537 117.767 117.767 120.448 -2.681 19516 1808 1 5 . 1 1 537 537 HIS HA H 537 4.667 4.667 5.016 -0.349 19516 1809 1 5 . 1 1 537 537 HIS C C 537 172.182 172.182 173.858 -1.676 19516 1810 1 5 . 1 1 537 537 HIS CA C 537 55.264 55.264 55.134 0.130 19516 1811 1 5 . 1 1 537 537 HIS CB C 537 32.118 32.118 30.455 1.663 19516 1812 1 5 . 1 1 537 537 HIS H H 537 9.185 9.185 8.317 0.868 19516 1813 1 5 . 1 1 538 538 ILE N N 538 123.861 123.861 125.018 -1.157 19516 1814 1 5 . 1 1 538 538 ILE HA H 538 4.986 4.986 4.644 0.342 19516 1815 1 5 . 1 1 538 538 ILE C C 538 176.686 176.686 176.353 0.333 19516 1816 1 5 . 1 1 538 538 ILE CA C 538 60.271 60.271 61.584 -1.312 19516 1817 1 5 . 1 1 538 538 ILE CB C 538 39.400 39.400 39.755 -0.355 19516 1818 1 5 . 1 1 538 538 ILE H H 538 8.649 8.649 8.948 -0.299 19516 1819 1 5 . 1 1 539 539 THR N N 539 119.438 119.438 122.128 -2.690 19516 1820 1 5 . 1 1 539 539 THR HA H 539 4.726 4.726 4.604 0.122 19516 1821 1 5 . 1 1 539 539 THR C C 539 173.788 173.788 173.569 0.219 19516 1822 1 5 . 1 1 539 539 THR CA C 539 60.256 60.256 60.586 -0.330 19516 1823 1 5 . 1 1 539 539 THR CB C 539 70.391 70.391 70.058 0.333 19516 1824 1 5 . 1 1 539 539 THR H H 539 9.118 9.118 8.461 0.657 19516 1825 1 5 . 1 1 540 540 ASN N N 540 114.191 114.191 119.658 -5.467 19516 1826 1 5 . 1 1 540 540 ASN HA H 540 4.542 4.542 4.451 0.091 19516 1827 1 5 . 1 1 540 540 ASN C C 540 176.815 176.815 174.259 2.556 19516 1828 1 5 . 1 1 540 540 ASN CA C 540 56.202 56.202 55.391 0.811 19516 1829 1 5 . 1 1 540 540 ASN CB C 540 38.371 38.371 38.263 0.108 19516 1830 1 5 . 1 1 540 540 ASN H H 540 8.569 8.569 8.735 -0.166 19516 1831 1 5 . 1 1 541 541 THR N N 541 102.711 102.711 118.206 -15.495 19516 1832 1 5 . 1 1 541 541 THR HA H 541 4.688 4.688 4.662 0.026 19516 1833 1 5 . 1 1 541 541 THR C C 541 175.793 175.793 173.268 2.525 19516 1834 1 5 . 1 1 541 541 THR CA C 541 61.897 61.897 62.534 -0.637 19516 1835 1 5 . 1 1 541 541 THR CB C 541 71.614 71.614 69.350 2.264 19516 1836 1 5 . 1 1 541 541 THR H H 541 7.913 7.913 8.201 -0.288 19516 1837 1 5 . 1 1 542 542 THR N N 542 115.756 115.756 116.622 -0.866 19516 1838 1 5 . 1 1 542 542 THR HA H 542 5.196 5.196 4.550 0.646 19516 1839 1 5 . 1 1 542 542 THR C C 542 170.174 170.174 172.386 -2.212 19516 1840 1 5 . 1 1 542 542 THR CA C 542 61.241 61.241 62.111 -0.870 19516 1841 1 5 . 1 1 542 542 THR CB C 542 72.559 72.559 70.387 2.172 19516 1842 1 5 . 1 1 542 542 THR H H 542 8.164 8.164 8.148 0.016 19516 1843 1 5 . 1 1 543 543 PHE N N 543 122.724 122.724 122.720 0.004 19516 1844 1 5 . 1 1 543 543 PHE HA H 543 4.754 4.754 4.884 -0.130 19516 1845 1 5 . 1 1 543 543 PHE C C 543 173.268 173.268 173.996 -0.728 19516 1846 1 5 . 1 1 543 543 PHE CA C 543 57.809 57.809 56.793 1.016 19516 1847 1 5 . 1 1 543 543 PHE CB C 543 41.077 41.077 40.567 0.510 19516 1848 1 5 . 1 1 543 543 PHE H H 543 9.363 9.363 8.491 0.872 19516 1849 1 5 . 1 1 544 544 ASP N N 544 128.063 128.063 128.080 -0.017 19516 1850 1 5 . 1 1 544 544 ASP HA H 544 6.057 6.057 4.878 1.179 19516 1851 1 5 . 1 1 544 544 ASP C C 544 175.674 175.674 174.318 1.356 19516 1852 1 5 . 1 1 544 544 ASP CA C 544 52.913 52.913 53.222 -0.309 19516 1853 1 5 . 1 1 544 544 ASP CB C 544 42.879 42.879 42.795 0.084 19516 1854 1 5 . 1 1 544 544 ASP H H 544 8.751 8.751 8.186 0.565 19516 1855 1 5 . 1 1 545 545 PHE N N 545 114.137 114.137 116.678 -2.541 19516 1856 1 5 . 1 1 545 545 PHE HA H 545 4.925 4.925 4.637 0.288 19516 1857 1 5 . 1 1 545 545 PHE C C 545 171.897 171.897 173.408 -1.511 19516 1858 1 5 . 1 1 545 545 PHE CA C 545 56.380 56.380 56.612 -0.232 19516 1859 1 5 . 1 1 545 545 PHE CB C 545 41.371 41.371 41.052 0.319 19516 1860 1 5 . 1 1 545 545 PHE H H 545 8.662 8.662 7.906 0.756 19516 1861 1 5 . 1 1 546 546 ASP N N 546 121.001 121.001 121.222 -0.221 19516 1862 1 5 . 1 1 546 546 ASP HA H 546 5.019 5.019 4.872 0.147 19516 1863 1 5 . 1 1 546 546 ASP C C 546 178.950 178.950 176.236 2.714 19516 1864 1 5 . 1 1 546 546 ASP CA C 546 52.045 52.045 52.950 -0.905 19516 1865 1 5 . 1 1 546 546 ASP CB C 546 43.129 43.129 43.100 0.029 19516 1866 1 5 . 1 1 546 546 ASP H H 546 9.219 9.219 8.643 0.576 19516 1867 1 5 . 1 1 547 547 LEU N N 547 126.156 126.156 122.232 3.924 19516 1868 1 5 . 1 1 547 547 LEU HA H 547 4.104 4.104 4.440 -0.336 19516 1869 1 5 . 1 1 547 547 LEU C C 547 178.679 178.679 178.819 -0.140 19516 1870 1 5 . 1 1 547 547 LEU CA C 547 58.272 58.272 57.116 1.156 19516 1871 1 5 . 1 1 547 547 LEU CB C 547 43.101 43.101 41.863 1.238 19516 1872 1 5 . 1 1 547 547 LEU H H 547 8.623 8.623 8.636 -0.013 19516 1873 1 5 . 1 1 548 548 CYS N N 548 113.743 113.743 116.251 -2.508 19516 1874 1 5 . 1 1 548 548 CYS HA H 548 4.021 4.021 4.314 -0.293 19516 1875 1 5 . 1 1 548 548 CYS C C 548 174.884 174.884 175.430 -0.546 19516 1876 1 5 . 1 1 548 548 CYS CA C 548 61.823 61.823 60.047 1.776 19516 1877 1 5 . 1 1 548 548 CYS CB C 548 27.228 27.228 27.176 0.052 19516 1878 1 5 . 1 1 548 548 CYS H H 548 8.820 8.820 8.149 0.671 19516 1879 1 5 . 1 1 549 549 SER N N 549 113.613 113.613 113.973 -0.360 19516 1880 1 5 . 1 1 549 549 SER HA H 549 4.456 4.456 4.245 0.211 19516 1881 1 5 . 1 1 549 549 SER C C 549 173.519 173.519 173.790 -0.271 19516 1882 1 5 . 1 1 549 549 SER CA C 549 58.515 58.515 58.456 0.059 19516 1883 1 5 . 1 1 549 549 SER CB C 549 64.459 64.459 62.720 1.739 19516 1884 1 5 . 1 1 549 549 SER H H 549 7.720 7.720 7.245 0.475 19516 1885 1 5 . 1 1 550 550 LEU N N 550 118.126 118.126 122.977 -4.851 19516 1886 1 5 . 1 1 550 550 LEU HA H 550 4.471 4.471 4.373 0.098 19516 1887 1 5 . 1 1 550 550 LEU C C 550 176.903 176.903 175.713 1.190 19516 1888 1 5 . 1 1 550 550 LEU CA C 550 53.498 53.498 54.653 -1.155 19516 1889 1 5 . 1 1 550 550 LEU CB C 550 43.619 43.619 42.968 0.651 19516 1890 1 5 . 1 1 550 550 LEU H H 550 6.779 6.779 7.221 -0.442 19516 1891 1 5 . 1 1 551 551 ASP N N 551 121.893 121.893 120.968 0.925 19516 1892 1 5 . 1 1 551 551 ASP HA H 551 4.665 4.665 4.765 -0.100 19516 1893 1 5 . 1 1 551 551 ASP C C 551 176.382 176.382 177.357 -0.975 19516 1894 1 5 . 1 1 551 551 ASP CA C 551 53.535 53.535 53.806 -0.271 19516 1895 1 5 . 1 1 551 551 ASP CB C 551 42.051 42.051 43.195 -1.144 19516 1896 1 5 . 1 1 551 551 ASP H H 551 9.082 9.082 8.467 0.615 19516 1897 1 5 . 1 1 552 552 LYS N N 552 121.414 121.414 123.248 -1.834 19516 1898 1 5 . 1 1 552 552 LYS HA H 552 4.149 4.149 4.046 0.103 19516 1899 1 5 . 1 1 552 552 LYS C C 552 179.021 179.021 178.721 0.300 19516 1900 1 5 . 1 1 552 552 LYS CA C 552 60.233 60.233 60.403 -0.170 19516 1901 1 5 . 1 1 552 552 LYS CB C 552 32.495 32.495 31.911 0.584 19516 1902 1 5 . 1 1 552 552 LYS H H 552 8.601 8.601 8.844 -0.243 19516 1903 1 5 . 1 1 553 553 THR N N 553 113.449 113.449 113.382 0.067 19516 1904 1 5 . 1 1 553 553 THR HA H 553 3.910 3.910 4.135 -0.225 19516 1905 1 5 . 1 1 553 553 THR C C 553 177.036 177.036 176.591 0.445 19516 1906 1 5 . 1 1 553 553 THR CA C 553 66.065 66.065 65.344 0.722 19516 1907 1 5 . 1 1 553 553 THR CB C 553 68.436 68.436 68.476 -0.040 19516 1908 1 5 . 1 1 553 553 THR H H 553 8.244 8.244 8.232 0.012 19516 1909 1 5 . 1 1 554 554 THR N N 554 120.799 120.799 118.944 1.855 19516 1910 1 5 . 1 1 554 554 THR HA H 554 3.828 3.828 4.231 -0.403 19516 1911 1 5 . 1 1 554 554 THR C C 554 176.156 176.156 176.218 -0.062 19516 1912 1 5 . 1 1 554 554 THR CA C 554 66.779 66.779 66.107 0.672 19516 1913 1 5 . 1 1 554 554 THR CB C 554 67.976 67.976 68.928 -0.952 19516 1914 1 5 . 1 1 554 554 THR H H 554 7.862 7.862 7.993 -0.131 19516 1915 1 5 . 1 1 555 555 VAL N N 555 122.618 122.618 122.920 -0.302 19516 1916 1 5 . 1 1 555 555 VAL HA H 555 3.366 3.366 3.606 -0.240 19516 1917 1 5 . 1 1 555 555 VAL C C 555 177.296 177.296 177.501 -0.205 19516 1918 1 5 . 1 1 555 555 VAL CA C 555 68.041 68.041 67.190 0.851 19516 1919 1 5 . 1 1 555 555 VAL CB C 555 31.715 31.715 31.456 0.259 19516 1920 1 5 . 1 1 555 555 VAL H H 555 7.970 7.970 8.798 -0.828 19516 1921 1 5 . 1 1 556 556 ARG N N 556 118.700 118.700 119.205 -0.505 19516 1922 1 5 . 1 1 556 556 ARG HA H 556 4.420 4.420 4.130 0.290 19516 1923 1 5 . 1 1 556 556 ARG C C 556 180.076 180.076 178.857 1.219 19516 1924 1 5 . 1 1 556 556 ARG CA C 556 58.628 58.628 58.497 0.131 19516 1925 1 5 . 1 1 556 556 ARG CB C 556 29.147 29.147 29.591 -0.444 19516 1926 1 5 . 1 1 556 556 ARG H H 556 8.342 8.342 7.662 0.680 19516 1927 1 5 . 1 1 557 557 LYS N N 557 120.947 120.947 119.533 1.414 19516 1928 1 5 . 1 1 557 557 LYS HA H 557 3.913 3.913 4.027 -0.114 19516 1929 1 5 . 1 1 557 557 LYS C C 557 178.774 178.774 179.064 -0.290 19516 1930 1 5 . 1 1 557 557 LYS CA C 557 59.270 59.270 58.263 1.007 19516 1931 1 5 . 1 1 557 557 LYS CB C 557 32.075 32.075 31.779 0.296 19516 1932 1 5 . 1 1 557 557 LYS H H 557 7.670 7.670 7.600 0.070 19516 1933 1 5 . 1 1 558 558 LEU N N 558 120.582 120.582 121.329 -0.747 19516 1934 1 5 . 1 1 558 558 LEU HA H 558 3.704 3.704 4.261 -0.557 19516 1935 1 5 . 1 1 558 558 LEU C C 558 178.702 178.702 178.630 0.072 19516 1936 1 5 . 1 1 558 558 LEU CA C 558 58.682 58.682 58.106 0.576 19516 1937 1 5 . 1 1 558 558 LEU CB C 558 42.744 42.744 41.484 1.260 19516 1938 1 5 . 1 1 558 558 LEU H H 558 8.166 8.166 8.074 0.092 19516 1939 1 5 . 1 1 559 559 GLN N N 559 115.514 115.514 116.220 -0.706 19516 1940 1 5 . 1 1 559 559 GLN HA H 559 3.869 3.869 3.970 -0.101 19516 1941 1 5 . 1 1 559 559 GLN C C 559 179.502 179.502 178.437 1.065 19516 1942 1 5 . 1 1 559 559 GLN CA C 559 59.568 59.568 58.588 0.980 19516 1943 1 5 . 1 1 559 559 GLN CB C 559 28.527 28.527 28.712 -0.184 19516 1944 1 5 . 1 1 559 559 GLN H H 559 8.441 8.441 8.510 -0.069 19516 1945 1 5 . 1 1 560 560 SER N N 560 115.703 115.703 115.706 -0.003 19516 1946 1 5 . 1 1 560 560 SER HA H 560 4.310 4.310 4.151 0.159 19516 1947 1 5 . 1 1 560 560 SER C C 560 176.997 176.997 175.939 1.058 19516 1948 1 5 . 1 1 560 560 SER CA C 560 61.535 61.535 61.100 0.435 19516 1949 1 5 . 1 1 560 560 SER CB C 560 62.810 62.810 62.977 -0.167 19516 1950 1 5 . 1 1 560 560 SER H H 560 7.883 7.883 7.531 0.352 19516 1951 1 5 . 1 1 561 561 TYR N N 561 121.470 121.470 118.114 3.356 19516 1952 1 5 . 1 1 561 561 TYR HA H 561 4.667 4.667 4.178 0.489 19516 1953 1 5 . 1 1 561 561 TYR C C 561 178.019 178.019 177.023 0.996 19516 1954 1 5 . 1 1 561 561 TYR CA C 561 57.854 57.854 60.812 -2.958 19516 1955 1 5 . 1 1 561 561 TYR CB C 561 36.842 36.842 38.026 -1.185 19516 1956 1 5 . 1 1 561 561 TYR H H 561 7.856 7.856 7.510 0.346 19516 1957 1 5 . 1 1 562 562 LEU N N 562 117.382 117.382 117.368 0.014 19516 1958 1 5 . 1 1 562 562 LEU HA H 562 4.233 4.233 4.171 0.062 19516 1959 1 5 . 1 1 562 562 LEU C C 562 178.086 178.086 178.649 -0.563 19516 1960 1 5 . 1 1 562 562 LEU CA C 562 55.989 55.989 56.996 -1.007 19516 1961 1 5 . 1 1 562 562 LEU CB C 562 41.606 41.606 41.846 -0.240 19516 1962 1 5 . 1 1 562 562 LEU H H 562 7.618 7.618 7.217 0.401 19516 1963 1 5 . 1 1 563 563 GLU N N 563 119.602 119.602 118.209 1.393 19516 1964 1 5 . 1 1 563 563 GLU HA H 563 4.313 4.313 4.424 -0.111 19516 1965 1 5 . 1 1 563 563 GLU C C 563 177.407 177.407 176.018 1.389 19516 1966 1 5 . 1 1 563 563 GLU CA C 563 57.577 57.577 55.205 2.372 19516 1967 1 5 . 1 1 563 563 GLU CB C 563 30.072 30.072 27.665 2.407 19516 1968 1 5 . 1 1 563 563 GLU H H 563 7.724 7.724 7.882 -0.158 19516 1969 1 5 . 1 1 564 564 THR N N 564 112.400 112.400 113.346 -0.946 19516 1970 1 5 . 1 1 564 564 THR HA H 564 4.416 4.416 4.141 0.275 19516 1971 1 5 . 1 1 564 564 THR C C 564 174.998 174.998 175.664 -0.666 19516 1972 1 5 . 1 1 564 564 THR CA C 564 62.021 62.021 62.642 -0.621 19516 1973 1 5 . 1 1 564 564 THR CB C 564 69.690 69.690 69.535 0.155 19516 1974 1 5 . 1 1 564 564 THR H H 564 8.019 8.019 7.525 0.494 19516 1975 1 5 . 1 1 565 565 SER N N 565 117.680 117.680 119.894 -2.214 19516 1976 1 5 . 1 1 565 565 SER HA H 565 4.463 4.463 4.353 0.110 19516 1977 1 5 . 1 1 565 565 SER C C 565 175.109 175.109 174.401 0.708 19516 1978 1 5 . 1 1 565 565 SER CA C 565 58.814 58.814 58.835 -0.021 19516 1979 1 5 . 1 1 565 565 SER CB C 565 63.945 63.945 63.627 0.318 19516 1980 1 5 . 1 1 565 565 SER H H 565 8.136 8.136 8.279 -0.143 19516 1981 1 5 . 1 1 566 566 GLY N N 566 111.023 111.023 107.820 3.203 19516 1982 1 5 . 1 1 566 566 GLY C C 566 174.384 174.384 175.176 -0.792 19516 1983 1 5 . 1 1 566 566 GLY CA C 566 45.575 45.575 45.806 -0.231 19516 1984 1 5 . 1 1 566 566 GLY H H 566 8.510 8.510 8.766 -0.256 19516 1985 1 5 . 1 1 567 567 THR N N 567 113.077 113.077 114.167 -1.090 19516 1986 1 5 . 1 1 567 567 THR HA H 567 4.405 4.405 4.149 0.256 19516 1987 1 5 . 1 1 567 567 THR C C 567 173.995 173.995 175.917 -1.922 19516 1988 1 5 . 1 1 567 567 THR CA C 567 61.713 61.713 64.114 -2.401 19516 1989 1 5 . 1 1 567 567 THR CB C 567 70.013 70.013 68.538 1.475 19516 1990 1 5 . 1 1 567 567 THR H H 567 8.061 8.061 8.466 -0.405 19516 1991 1 6 . 1 1 501 501 LYS N N 501 125.415 125.415 119.550 5.865 19516 1992 1 6 . 1 1 501 501 LYS HA H 501 4.007 4.007 4.282 -0.275 19516 1993 1 6 . 1 1 501 501 LYS C C 501 177.113 177.113 177.322 -0.209 19516 1994 1 6 . 1 1 501 501 LYS CA C 501 59.115 59.115 57.223 1.892 19516 1995 1 6 . 1 1 501 501 LYS CB C 501 32.793 32.793 32.379 0.414 19516 1996 1 6 . 1 1 501 501 LYS H H 501 8.677 8.677 8.620 0.057 19516 1997 1 6 . 1 1 502 502 ALA N N 502 120.718 120.718 123.467 -2.749 19516 1998 1 6 . 1 1 502 502 ALA HA H 502 4.240 4.240 4.272 -0.032 19516 1999 1 6 . 1 1 502 502 ALA C C 502 180.345 180.345 178.914 1.431 19516 2000 1 6 . 1 1 502 502 ALA CA C 502 54.738 54.738 54.526 0.212 19516 2001 1 6 . 1 1 502 502 ALA CB C 502 18.172 18.172 18.493 -0.321 19516 2002 1 6 . 1 1 502 502 ALA H H 502 8.382 8.382 8.036 0.346 19516 2003 1 6 . 1 1 503 503 TYR N N 503 120.200 120.200 121.031 -0.831 19516 2004 1 6 . 1 1 503 503 TYR HA H 503 4.543 4.543 4.409 0.134 19516 2005 1 6 . 1 1 503 503 TYR C C 503 177.235 177.235 178.273 -1.038 19516 2006 1 6 . 1 1 503 503 TYR CA C 503 60.020 60.020 60.928 -0.908 19516 2007 1 6 . 1 1 503 503 TYR CB C 503 38.707 38.707 38.208 0.499 19516 2008 1 6 . 1 1 503 503 TYR H H 503 7.817 7.817 8.270 -0.453 19516 2009 1 6 . 1 1 504 504 LEU N N 504 120.133 120.133 118.776 1.357 19516 2010 1 6 . 1 1 504 504 LEU HA H 504 3.857 3.857 3.767 0.090 19516 2011 1 6 . 1 1 504 504 LEU C C 504 178.616 178.616 178.857 -0.241 19516 2012 1 6 . 1 1 504 504 LEU CA C 504 58.200 58.200 58.692 -0.492 19516 2013 1 6 . 1 1 504 504 LEU CB C 504 41.066 41.066 40.992 0.074 19516 2014 1 6 . 1 1 504 504 LEU H H 504 8.175 8.175 8.262 -0.087 19516 2015 1 6 . 1 1 505 505 ASP N N 505 117.709 117.709 117.843 -0.134 19516 2016 1 6 . 1 1 505 505 ASP HA H 505 4.307 4.307 4.238 0.069 19516 2017 1 6 . 1 1 505 505 ASP C C 505 179.849 179.849 178.077 1.772 19516 2018 1 6 . 1 1 505 505 ASP CA C 505 57.578 57.578 57.410 0.168 19516 2019 1 6 . 1 1 505 505 ASP CB C 505 39.811 39.811 40.386 -0.575 19516 2020 1 6 . 1 1 505 505 ASP H H 505 8.308 8.308 7.915 0.393 19516 2021 1 6 . 1 1 506 506 GLU N N 506 121.244 121.244 118.247 2.997 19516 2022 1 6 . 1 1 506 506 GLU HA H 506 4.038 4.038 4.058 -0.020 19516 2023 1 6 . 1 1 506 506 GLU C C 506 179.957 179.957 179.120 0.837 19516 2024 1 6 . 1 1 506 506 GLU CA C 506 59.786 59.786 58.632 1.154 19516 2025 1 6 . 1 1 506 506 GLU CB C 506 29.644 29.644 29.510 0.134 19516 2026 1 6 . 1 1 506 506 GLU H H 506 7.657 7.657 8.041 -0.384 19516 2027 1 6 . 1 1 507 507 LEU N N 507 121.550 121.550 119.646 1.904 19516 2028 1 6 . 1 1 507 507 LEU HA H 507 3.860 3.860 4.156 -0.296 19516 2029 1 6 . 1 1 507 507 LEU C C 507 178.973 178.973 178.683 0.290 19516 2030 1 6 . 1 1 507 507 LEU CA C 507 57.925 57.925 57.362 0.563 19516 2031 1 6 . 1 1 507 507 LEU CB C 507 41.882 41.882 41.940 -0.058 19516 2032 1 6 . 1 1 507 507 LEU H H 507 8.255 8.255 7.942 0.313 19516 2033 1 6 . 1 1 508 508 VAL N N 508 121.174 121.174 120.797 0.377 19516 2034 1 6 . 1 1 508 508 VAL HA H 508 3.522 3.522 3.557 -0.035 19516 2035 1 6 . 1 1 508 508 VAL C C 508 178.831 178.831 178.342 0.489 19516 2036 1 6 . 1 1 508 508 VAL CA C 508 67.098 67.098 67.007 0.091 19516 2037 1 6 . 1 1 508 508 VAL CB C 508 31.988 31.988 30.636 1.352 19516 2038 1 6 . 1 1 508 508 VAL H H 508 8.679 8.679 8.663 0.016 19516 2039 1 6 . 1 1 509 509 GLU N N 509 120.516 120.516 118.777 1.739 19516 2040 1 6 . 1 1 509 509 GLU HA H 509 4.286 4.286 3.972 0.314 19516 2041 1 6 . 1 1 509 509 GLU C C 509 178.354 178.354 179.231 -0.877 19516 2042 1 6 . 1 1 509 509 GLU CA C 509 58.837 58.837 59.733 -0.896 19516 2043 1 6 . 1 1 509 509 GLU CB C 509 28.859 28.859 29.034 -0.175 19516 2044 1 6 . 1 1 509 509 GLU H H 509 7.534 7.534 8.148 -0.614 19516 2045 1 6 . 1 1 510 510 LEU N N 510 121.442 121.442 119.832 1.610 19516 2046 1 6 . 1 1 510 510 LEU HA H 510 4.141 4.141 4.031 0.110 19516 2047 1 6 . 1 1 510 510 LEU C C 510 177.961 177.961 178.923 -0.962 19516 2048 1 6 . 1 1 510 510 LEU CA C 510 57.722 57.722 58.070 -0.348 19516 2049 1 6 . 1 1 510 510 LEU CB C 510 41.776 41.776 41.498 0.278 19516 2050 1 6 . 1 1 510 510 LEU H H 510 8.018 8.018 7.629 0.389 19516 2051 1 6 . 1 1 511 511 HIS N N 511 119.858 119.858 118.675 1.183 19516 2052 1 6 . 1 1 511 511 HIS HA H 511 3.708 3.708 4.018 -0.310 19516 2053 1 6 . 1 1 511 511 HIS C C 511 176.325 176.325 177.175 -0.850 19516 2054 1 6 . 1 1 511 511 HIS CA C 511 62.252 62.252 60.621 1.631 19516 2055 1 6 . 1 1 511 511 HIS CB C 511 31.459 31.459 30.067 1.392 19516 2056 1 6 . 1 1 511 511 HIS H H 511 9.028 9.028 8.810 0.218 19516 2057 1 6 . 1 1 512 512 ARG N N 512 117.523 117.523 119.075 -1.552 19516 2058 1 6 . 1 1 512 512 ARG HA H 512 3.859 3.859 3.914 -0.055 19516 2059 1 6 . 1 1 512 512 ARG C C 512 179.801 179.801 178.668 1.133 19516 2060 1 6 . 1 1 512 512 ARG CA C 512 59.584 59.584 59.657 -0.073 19516 2061 1 6 . 1 1 512 512 ARG CB C 512 30.154 30.154 30.157 -0.003 19516 2062 1 6 . 1 1 512 512 ARG H H 512 7.942 7.942 8.781 -0.839 19516 2063 1 6 . 1 1 513 513 ARG N N 513 117.870 117.870 119.327 -1.457 19516 2064 1 6 . 1 1 513 513 ARG HA H 513 4.041 4.041 3.991 0.050 19516 2065 1 6 . 1 1 513 513 ARG C C 513 179.852 179.852 179.439 0.413 19516 2066 1 6 . 1 1 513 513 ARG CA C 513 58.766 58.766 59.376 -0.610 19516 2067 1 6 . 1 1 513 513 ARG CB C 513 30.582 30.582 30.052 0.530 19516 2068 1 6 . 1 1 513 513 ARG H H 513 7.845 7.845 8.441 -0.596 19516 2069 1 6 . 1 1 514 514 LEU N N 514 119.343 119.343 120.146 -0.803 19516 2070 1 6 . 1 1 514 514 LEU HA H 514 4.031 4.031 3.989 0.042 19516 2071 1 6 . 1 1 514 514 LEU C C 514 178.922 178.922 179.564 -0.642 19516 2072 1 6 . 1 1 514 514 LEU CA C 514 57.671 57.671 57.727 -0.056 19516 2073 1 6 . 1 1 514 514 LEU CB C 514 41.926 41.926 41.888 0.038 19516 2074 1 6 . 1 1 514 514 LEU H H 514 8.753 8.753 8.772 -0.019 19516 2075 1 6 . 1 1 515 515 MET N N 515 115.167 115.167 118.305 -3.138 19516 2076 1 6 . 1 1 515 515 MET HA H 515 4.397 4.397 4.180 0.217 19516 2077 1 6 . 1 1 515 515 MET C C 515 177.921 177.921 177.099 0.822 19516 2078 1 6 . 1 1 515 515 MET CA C 515 56.895 56.895 57.919 -1.024 19516 2079 1 6 . 1 1 515 515 MET CB C 515 31.659 31.659 32.811 -1.152 19516 2080 1 6 . 1 1 515 515 MET H H 515 7.810 7.810 8.072 -0.262 19516 2081 1 6 . 1 1 516 516 THR N N 516 106.551 106.551 108.961 -2.410 19516 2082 1 6 . 1 1 516 516 THR HA H 516 4.441 4.441 4.490 -0.050 19516 2083 1 6 . 1 1 516 516 THR C C 516 174.390 174.390 173.969 0.421 19516 2084 1 6 . 1 1 516 516 THR CA C 516 61.133 61.133 60.520 0.613 19516 2085 1 6 . 1 1 516 516 THR CB C 516 69.787 69.787 69.365 0.423 19516 2086 1 6 . 1 1 516 516 THR H H 516 7.269 7.269 7.761 -0.492 19516 2087 1 6 . 1 1 517 517 LEU N N 517 123.805 123.805 123.638 0.167 19516 2088 1 6 . 1 1 517 517 LEU HA H 517 4.283 4.283 4.455 -0.172 19516 2089 1 6 . 1 1 517 517 LEU C C 517 177.241 177.241 176.190 1.051 19516 2090 1 6 . 1 1 517 517 LEU CA C 517 56.137 56.137 54.899 1.238 19516 2091 1 6 . 1 1 517 517 LEU CB C 517 42.974 42.974 42.565 0.409 19516 2092 1 6 . 1 1 517 517 LEU H H 517 7.036 7.036 7.461 -0.425 19516 2093 1 6 . 1 1 518 518 ARG N N 518 122.669 122.669 124.167 -1.498 19516 2094 1 6 . 1 1 518 518 ARG HA H 518 4.598 4.598 4.384 0.214 19516 2095 1 6 . 1 1 518 518 ARG C C 518 175.915 175.915 176.033 -0.118 19516 2096 1 6 . 1 1 518 518 ARG CA C 518 54.831 54.831 55.762 -0.931 19516 2097 1 6 . 1 1 518 518 ARG CB C 518 32.442 32.442 31.036 1.406 19516 2098 1 6 . 1 1 518 518 ARG H H 518 9.040 9.040 8.609 0.431 19516 2099 1 6 . 1 1 519 519 GLU N N 519 121.385 121.385 121.251 0.134 19516 2100 1 6 . 1 1 519 519 GLU HA H 519 4.295 4.295 4.174 0.121 19516 2101 1 6 . 1 1 519 519 GLU C C 519 177.016 177.016 177.543 -0.527 19516 2102 1 6 . 1 1 519 519 GLU CA C 519 57.380 57.380 56.468 0.912 19516 2103 1 6 . 1 1 519 519 GLU CB C 519 30.017 30.017 28.855 1.162 19516 2104 1 6 . 1 1 519 519 GLU H H 519 7.172 7.172 8.232 -1.060 19516 2105 1 6 . 1 1 520 520 ARG N N 520 128.171 128.171 127.447 0.724 19516 2106 1 6 . 1 1 520 520 ARG HA H 520 3.811 3.811 3.863 -0.052 19516 2107 1 6 . 1 1 520 520 ARG C C 520 177.930 177.930 177.357 0.573 19516 2108 1 6 . 1 1 520 520 ARG CA C 520 60.867 60.867 59.037 1.830 19516 2109 1 6 . 1 1 520 520 ARG CB C 520 30.187 30.187 29.364 0.823 19516 2110 1 6 . 1 1 520 520 ARG H H 520 8.918 8.918 8.408 0.510 19516 2111 1 6 . 1 1 521 521 HIS N N 521 116.808 116.808 120.026 -3.218 19516 2112 1 6 . 1 1 521 521 HIS HA H 521 4.402 4.402 4.272 0.130 19516 2113 1 6 . 1 1 521 521 HIS C C 521 177.637 177.637 177.001 0.636 19516 2114 1 6 . 1 1 521 521 HIS CA C 521 59.645 59.645 59.265 0.380 19516 2115 1 6 . 1 1 521 521 HIS CB C 521 28.425 28.425 29.792 -1.367 19516 2116 1 6 . 1 1 521 521 HIS H H 521 9.073 9.073 8.274 0.799 19516 2117 1 6 . 1 1 522 522 ILE N N 522 119.592 119.592 118.786 0.806 19516 2118 1 6 . 1 1 522 522 ILE HA H 522 3.896 3.896 3.929 -0.033 19516 2119 1 6 . 1 1 522 522 ILE C C 522 177.866 177.866 177.421 0.445 19516 2120 1 6 . 1 1 522 522 ILE CA C 522 63.397 63.397 61.792 1.605 19516 2121 1 6 . 1 1 522 522 ILE CB C 522 37.650 37.650 36.925 0.726 19516 2122 1 6 . 1 1 522 522 ILE H H 522 7.088 7.088 8.031 -0.943 19516 2123 1 6 . 1 1 523 523 LEU N N 523 119.719 119.719 120.517 -0.798 19516 2124 1 6 . 1 1 523 523 LEU HA H 523 3.819 3.819 3.781 0.038 19516 2125 1 6 . 1 1 523 523 LEU C C 523 178.379 178.379 179.216 -0.837 19516 2126 1 6 . 1 1 523 523 LEU CA C 523 58.386 58.386 58.554 -0.168 19516 2127 1 6 . 1 1 523 523 LEU CB C 523 41.318 41.318 40.992 0.326 19516 2128 1 6 . 1 1 523 523 LEU H H 523 7.905 7.905 7.579 0.326 19516 2129 1 6 . 1 1 524 524 GLN N N 524 116.700 116.700 117.706 -1.006 19516 2130 1 6 . 1 1 524 524 GLN HA H 524 3.552 3.552 3.740 -0.188 19516 2131 1 6 . 1 1 524 524 GLN C C 524 177.441 177.441 177.780 -0.339 19516 2132 1 6 . 1 1 524 524 GLN CA C 524 58.259 58.259 58.871 -0.612 19516 2133 1 6 . 1 1 524 524 GLN CB C 524 29.097 29.097 28.592 0.505 19516 2134 1 6 . 1 1 524 524 GLN H H 524 8.265 8.265 8.412 -0.147 19516 2135 1 6 . 1 1 525 525 GLN N N 525 117.608 117.608 118.903 -1.295 19516 2136 1 6 . 1 1 525 525 GLN HA H 525 3.777 3.777 3.768 0.009 19516 2137 1 6 . 1 1 525 525 GLN C C 525 179.278 179.278 178.415 0.863 19516 2138 1 6 . 1 1 525 525 GLN CA C 525 58.986 58.986 58.210 0.776 19516 2139 1 6 . 1 1 525 525 GLN CB C 525 28.545 28.545 28.058 0.487 19516 2140 1 6 . 1 1 525 525 GLN H H 525 7.300 7.300 7.547 -0.247 19516 2141 1 6 . 1 1 526 526 ILE N N 526 119.883 119.883 119.923 -0.040 19516 2142 1 6 . 1 1 526 526 ILE HA H 526 3.434 3.434 3.454 -0.020 19516 2143 1 6 . 1 1 526 526 ILE C C 526 176.638 176.638 177.588 -0.950 19516 2144 1 6 . 1 1 526 526 ILE CA C 526 66.116 66.116 64.960 1.156 19516 2145 1 6 . 1 1 526 526 ILE CB C 526 37.581 37.581 37.634 -0.053 19516 2146 1 6 . 1 1 526 526 ILE H H 526 8.039 8.039 8.164 -0.125 19516 2147 1 6 . 1 1 527 527 VAL N N 527 119.535 119.535 120.115 -0.580 19516 2148 1 6 . 1 1 527 527 VAL HA H 527 2.791 2.791 3.091 -0.300 19516 2149 1 6 . 1 1 527 527 VAL C C 527 176.957 176.957 177.953 -0.996 19516 2150 1 6 . 1 1 527 527 VAL CA C 527 66.371 66.371 66.392 -0.021 19516 2151 1 6 . 1 1 527 527 VAL CB C 527 30.623 30.623 30.532 0.091 19516 2152 1 6 . 1 1 527 527 VAL H H 527 8.052 8.052 7.589 0.463 19516 2153 1 6 . 1 1 528 528 ASN N N 528 117.957 117.957 115.724 2.233 19516 2154 1 6 . 1 1 528 528 ASN HA H 528 4.138 4.138 4.251 -0.113 19516 2155 1 6 . 1 1 528 528 ASN C C 528 178.148 178.148 177.903 0.245 19516 2156 1 6 . 1 1 528 528 ASN CA C 528 55.696 55.696 55.478 0.218 19516 2157 1 6 . 1 1 528 528 ASN CB C 528 37.192 37.192 37.686 -0.494 19516 2158 1 6 . 1 1 528 528 ASN H H 528 8.172 8.172 7.646 0.526 19516 2159 1 6 . 1 1 529 529 LEU N N 529 120.654 120.654 121.556 -0.902 19516 2160 1 6 . 1 1 529 529 LEU HA H 529 4.166 4.166 4.159 0.007 19516 2161 1 6 . 1 1 529 529 LEU C C 529 178.908 178.908 177.899 1.009 19516 2162 1 6 . 1 1 529 529 LEU CA C 529 57.870 57.870 57.444 0.426 19516 2163 1 6 . 1 1 529 529 LEU CB C 529 42.512 42.512 41.518 0.994 19516 2164 1 6 . 1 1 529 529 LEU H H 529 7.666 7.666 7.721 -0.055 19516 2165 1 6 . 1 1 530 530 ILE N N 530 117.213 117.213 114.213 3.000 19516 2166 1 6 . 1 1 530 530 ILE HA H 530 3.677 3.677 3.828 -0.151 19516 2167 1 6 . 1 1 530 530 ILE C C 530 180.762 180.762 177.921 2.841 19516 2168 1 6 . 1 1 530 530 ILE CA C 530 61.592 61.592 64.294 -2.702 19516 2169 1 6 . 1 1 530 530 ILE CB C 530 34.726 34.726 37.507 -2.781 19516 2170 1 6 . 1 1 530 530 ILE H H 530 8.543 8.543 8.013 0.530 19516 2171 1 6 . 1 1 531 531 GLU N N 531 124.050 124.050 121.724 2.326 19516 2172 1 6 . 1 1 531 531 GLU HA H 531 3.940 3.940 3.964 -0.024 19516 2173 1 6 . 1 1 531 531 GLU C C 531 178.698 178.698 178.332 0.366 19516 2174 1 6 . 1 1 531 531 GLU CA C 531 59.763 59.763 59.500 0.263 19516 2175 1 6 . 1 1 531 531 GLU CB C 531 27.691 27.691 29.692 -2.001 19516 2176 1 6 . 1 1 531 531 GLU H H 531 9.276 9.276 8.299 0.977 19516 2177 1 6 . 1 1 532 532 GLU N N 532 116.396 116.396 118.286 -1.890 19516 2178 1 6 . 1 1 532 532 GLU HA H 532 3.995 3.995 4.142 -0.147 19516 2179 1 6 . 1 1 532 532 GLU C C 532 178.030 178.030 178.414 -0.384 19516 2180 1 6 . 1 1 532 532 GLU CA C 532 58.903 58.903 58.651 0.252 19516 2181 1 6 . 1 1 532 532 GLU CB C 532 29.666 29.666 29.084 0.582 19516 2182 1 6 . 1 1 532 532 GLU H H 532 7.003 7.003 7.826 -0.823 19516 2183 1 6 . 1 1 533 533 THR N N 533 107.227 107.227 110.856 -3.629 19516 2184 1 6 . 1 1 533 533 THR HA H 533 4.328 4.328 4.110 0.218 19516 2185 1 6 . 1 1 533 533 THR C C 533 176.559 176.559 176.176 0.383 19516 2186 1 6 . 1 1 533 533 THR CA C 533 63.112 63.112 62.701 0.411 19516 2187 1 6 . 1 1 533 533 THR CB C 533 71.513 71.513 69.501 2.012 19516 2188 1 6 . 1 1 533 533 THR H H 533 7.611 7.611 7.483 0.128 19516 2189 1 6 . 1 1 534 534 GLY N N 534 106.448 106.448 109.498 -3.050 19516 2190 1 6 . 1 1 534 534 GLY C C 534 174.199 174.199 174.724 -0.525 19516 2191 1 6 . 1 1 534 534 GLY CA C 534 45.527 45.527 44.833 0.694 19516 2192 1 6 . 1 1 534 534 GLY H H 534 7.618 7.618 7.857 -0.239 19516 2193 1 6 . 1 1 535 535 HIS N N 535 121.292 121.292 122.577 -1.285 19516 2194 1 6 . 1 1 535 535 HIS HA H 535 4.909 4.909 4.782 0.127 19516 2195 1 6 . 1 1 535 535 HIS C C 535 172.641 172.641 173.915 -1.274 19516 2196 1 6 . 1 1 535 535 HIS CA C 535 53.806 53.806 53.618 0.188 19516 2197 1 6 . 1 1 535 535 HIS CB C 535 27.013 27.013 27.027 -0.014 19516 2198 1 6 . 1 1 535 535 HIS H H 535 8.430 8.430 7.808 0.622 19516 2199 1 6 . 1 1 536 536 PHE N N 536 115.908 115.908 116.787 -0.879 19516 2200 1 6 . 1 1 536 536 PHE HA H 536 5.282 5.282 4.873 0.409 19516 2201 1 6 . 1 1 536 536 PHE C C 536 173.438 173.438 173.757 -0.319 19516 2202 1 6 . 1 1 536 536 PHE CA C 536 55.736 55.736 56.536 -0.800 19516 2203 1 6 . 1 1 536 536 PHE CB C 536 42.099 42.099 41.412 0.687 19516 2204 1 6 . 1 1 536 536 PHE H H 536 7.173 7.173 7.273 -0.100 19516 2205 1 6 . 1 1 537 537 HIS N N 537 117.767 117.767 120.933 -3.166 19516 2206 1 6 . 1 1 537 537 HIS HA H 537 4.667 4.667 4.940 -0.273 19516 2207 1 6 . 1 1 537 537 HIS C C 537 172.182 172.182 173.808 -1.626 19516 2208 1 6 . 1 1 537 537 HIS CA C 537 55.264 55.264 55.936 -0.672 19516 2209 1 6 . 1 1 537 537 HIS CB C 537 32.118 32.118 32.544 -0.426 19516 2210 1 6 . 1 1 537 537 HIS H H 537 9.185 9.185 8.456 0.729 19516 2211 1 6 . 1 1 538 538 ILE N N 538 123.861 123.861 127.238 -3.377 19516 2212 1 6 . 1 1 538 538 ILE HA H 538 4.986 4.986 4.472 0.514 19516 2213 1 6 . 1 1 538 538 ILE C C 538 176.686 176.686 175.544 1.142 19516 2214 1 6 . 1 1 538 538 ILE CA C 538 60.271 60.271 61.443 -1.171 19516 2215 1 6 . 1 1 538 538 ILE CB C 538 39.400 39.400 39.465 -0.065 19516 2216 1 6 . 1 1 538 538 ILE H H 538 8.649 8.649 8.623 0.026 19516 2217 1 6 . 1 1 539 539 THR N N 539 119.438 119.438 122.084 -2.646 19516 2218 1 6 . 1 1 539 539 THR HA H 539 4.726 4.726 4.643 0.083 19516 2219 1 6 . 1 1 539 539 THR C C 539 173.788 173.788 173.953 -0.165 19516 2220 1 6 . 1 1 539 539 THR CA C 539 60.256 60.256 60.107 0.149 19516 2221 1 6 . 1 1 539 539 THR CB C 539 70.391 70.391 70.178 0.213 19516 2222 1 6 . 1 1 539 539 THR H H 539 9.118 9.118 8.471 0.647 19516 2223 1 6 . 1 1 540 540 ASN N N 540 114.191 114.191 119.696 -5.505 19516 2224 1 6 . 1 1 540 540 ASN HA H 540 4.542 4.542 4.490 0.052 19516 2225 1 6 . 1 1 540 540 ASN C C 540 176.815 176.815 174.576 2.239 19516 2226 1 6 . 1 1 540 540 ASN CA C 540 56.202 56.202 55.602 0.600 19516 2227 1 6 . 1 1 540 540 ASN CB C 540 38.371 38.371 37.890 0.481 19516 2228 1 6 . 1 1 540 540 ASN H H 540 8.569 8.569 8.793 -0.224 19516 2229 1 6 . 1 1 541 541 THR N N 541 102.711 102.711 114.628 -11.917 19516 2230 1 6 . 1 1 541 541 THR HA H 541 4.688 4.688 4.785 -0.097 19516 2231 1 6 . 1 1 541 541 THR C C 541 175.793 175.793 173.146 2.647 19516 2232 1 6 . 1 1 541 541 THR CA C 541 61.897 61.897 62.162 -0.265 19516 2233 1 6 . 1 1 541 541 THR CB C 541 71.614 71.614 69.736 1.878 19516 2234 1 6 . 1 1 541 541 THR H H 541 7.913 7.913 8.144 -0.231 19516 2235 1 6 . 1 1 542 542 THR N N 542 115.756 115.756 115.398 0.358 19516 2236 1 6 . 1 1 542 542 THR HA H 542 5.196 5.196 4.532 0.664 19516 2237 1 6 . 1 1 542 542 THR C C 542 170.174 170.174 172.340 -2.166 19516 2238 1 6 . 1 1 542 542 THR CA C 542 61.241 61.241 62.156 -0.915 19516 2239 1 6 . 1 1 542 542 THR CB C 542 72.559 72.559 70.503 2.056 19516 2240 1 6 . 1 1 542 542 THR H H 542 8.164 8.164 8.038 0.126 19516 2241 1 6 . 1 1 543 543 PHE N N 543 122.724 122.724 122.169 0.555 19516 2242 1 6 . 1 1 543 543 PHE HA H 543 4.754 4.754 4.895 -0.141 19516 2243 1 6 . 1 1 543 543 PHE C C 543 173.268 173.268 174.166 -0.898 19516 2244 1 6 . 1 1 543 543 PHE CA C 543 57.809 57.809 56.978 0.831 19516 2245 1 6 . 1 1 543 543 PHE CB C 543 41.077 41.077 40.564 0.513 19516 2246 1 6 . 1 1 543 543 PHE H H 543 9.363 9.363 8.546 0.817 19516 2247 1 6 . 1 1 544 544 ASP N N 544 128.063 128.063 128.296 -0.233 19516 2248 1 6 . 1 1 544 544 ASP HA H 544 6.057 6.057 4.991 1.066 19516 2249 1 6 . 1 1 544 544 ASP C C 544 175.674 175.674 174.251 1.423 19516 2250 1 6 . 1 1 544 544 ASP CA C 544 52.913 52.913 53.584 -0.671 19516 2251 1 6 . 1 1 544 544 ASP CB C 544 42.879 42.879 42.819 0.061 19516 2252 1 6 . 1 1 544 544 ASP H H 544 8.751 8.751 8.119 0.632 19516 2253 1 6 . 1 1 545 545 PHE N N 545 114.137 114.137 116.979 -2.842 19516 2254 1 6 . 1 1 545 545 PHE HA H 545 4.925 4.925 4.801 0.124 19516 2255 1 6 . 1 1 545 545 PHE C C 545 171.897 171.897 173.543 -1.646 19516 2256 1 6 . 1 1 545 545 PHE CA C 545 56.380 56.380 56.647 -0.267 19516 2257 1 6 . 1 1 545 545 PHE CB C 545 41.371 41.371 41.316 0.055 19516 2258 1 6 . 1 1 545 545 PHE H H 545 8.662 8.662 8.023 0.639 19516 2259 1 6 . 1 1 546 546 ASP N N 546 121.001 121.001 122.223 -1.222 19516 2260 1 6 . 1 1 546 546 ASP HA H 546 5.019 5.019 4.790 0.229 19516 2261 1 6 . 1 1 546 546 ASP C C 546 178.950 178.950 176.146 2.804 19516 2262 1 6 . 1 1 546 546 ASP CA C 546 52.045 52.045 53.353 -1.308 19516 2263 1 6 . 1 1 546 546 ASP CB C 546 43.129 43.129 42.248 0.881 19516 2264 1 6 . 1 1 546 546 ASP H H 546 9.219 9.219 8.555 0.664 19516 2265 1 6 . 1 1 547 547 LEU N N 547 126.156 126.156 122.281 3.875 19516 2266 1 6 . 1 1 547 547 LEU HA H 547 4.104 4.104 4.520 -0.416 19516 2267 1 6 . 1 1 547 547 LEU C C 547 178.679 178.679 178.674 0.005 19516 2268 1 6 . 1 1 547 547 LEU CA C 547 58.272 58.272 57.405 0.867 19516 2269 1 6 . 1 1 547 547 LEU CB C 547 43.101 43.101 41.860 1.241 19516 2270 1 6 . 1 1 547 547 LEU H H 547 8.623 8.623 8.493 0.130 19516 2271 1 6 . 1 1 548 548 CYS N N 548 113.743 113.743 117.172 -3.429 19516 2272 1 6 . 1 1 548 548 CYS HA H 548 4.021 4.021 4.325 -0.304 19516 2273 1 6 . 1 1 548 548 CYS C C 548 174.884 174.884 175.170 -0.286 19516 2274 1 6 . 1 1 548 548 CYS CA C 548 61.823 61.823 59.970 1.853 19516 2275 1 6 . 1 1 548 548 CYS CB C 548 27.228 27.228 26.757 0.471 19516 2276 1 6 . 1 1 548 548 CYS H H 548 8.820 8.820 8.235 0.585 19516 2277 1 6 . 1 1 549 549 SER N N 549 113.613 113.613 113.926 -0.313 19516 2278 1 6 . 1 1 549 549 SER HA H 549 4.456 4.456 4.452 0.004 19516 2279 1 6 . 1 1 549 549 SER C C 549 173.519 173.519 174.838 -1.319 19516 2280 1 6 . 1 1 549 549 SER CA C 549 58.515 58.515 58.648 -0.133 19516 2281 1 6 . 1 1 549 549 SER CB C 549 64.459 64.459 63.292 1.167 19516 2282 1 6 . 1 1 549 549 SER H H 549 7.720 7.720 7.341 0.379 19516 2283 1 6 . 1 1 550 550 LEU N N 550 118.126 118.126 123.802 -5.676 19516 2284 1 6 . 1 1 550 550 LEU HA H 550 4.471 4.471 4.457 0.014 19516 2285 1 6 . 1 1 550 550 LEU C C 550 176.903 176.903 176.338 0.565 19516 2286 1 6 . 1 1 550 550 LEU CA C 550 53.498 53.498 55.127 -1.629 19516 2287 1 6 . 1 1 550 550 LEU CB C 550 43.619 43.619 42.824 0.795 19516 2288 1 6 . 1 1 550 550 LEU H H 550 6.779 6.779 7.662 -0.883 19516 2289 1 6 . 1 1 551 551 ASP N N 551 121.893 121.893 122.128 -0.235 19516 2290 1 6 . 1 1 551 551 ASP HA H 551 4.665 4.665 4.772 -0.107 19516 2291 1 6 . 1 1 551 551 ASP C C 551 176.382 176.382 177.404 -1.022 19516 2292 1 6 . 1 1 551 551 ASP CA C 551 53.535 53.535 53.894 -0.359 19516 2293 1 6 . 1 1 551 551 ASP CB C 551 42.051 42.051 42.671 -0.620 19516 2294 1 6 . 1 1 551 551 ASP H H 551 9.082 9.082 8.535 0.547 19516 2295 1 6 . 1 1 552 552 LYS N N 552 121.414 121.414 122.622 -1.208 19516 2296 1 6 . 1 1 552 552 LYS HA H 552 4.149 4.149 4.037 0.112 19516 2297 1 6 . 1 1 552 552 LYS C C 552 179.021 179.021 178.694 0.327 19516 2298 1 6 . 1 1 552 552 LYS CA C 552 60.233 60.233 60.525 -0.291 19516 2299 1 6 . 1 1 552 552 LYS CB C 552 32.495 32.495 31.828 0.667 19516 2300 1 6 . 1 1 552 552 LYS H H 552 8.601 8.601 8.851 -0.250 19516 2301 1 6 . 1 1 553 553 THR N N 553 113.449 113.449 112.759 0.690 19516 2302 1 6 . 1 1 553 553 THR HA H 553 3.910 3.910 4.173 -0.263 19516 2303 1 6 . 1 1 553 553 THR C C 553 177.036 177.036 176.881 0.155 19516 2304 1 6 . 1 1 553 553 THR CA C 553 66.065 66.065 65.901 0.164 19516 2305 1 6 . 1 1 553 553 THR CB C 553 68.436 68.436 68.294 0.142 19516 2306 1 6 . 1 1 553 553 THR H H 553 8.244 8.244 8.318 -0.074 19516 2307 1 6 . 1 1 554 554 THR N N 554 120.799 120.799 118.448 2.351 19516 2308 1 6 . 1 1 554 554 THR HA H 554 3.828 3.828 4.242 -0.414 19516 2309 1 6 . 1 1 554 554 THR C C 554 176.156 176.156 176.439 -0.283 19516 2310 1 6 . 1 1 554 554 THR CA C 554 66.779 66.779 65.808 0.971 19516 2311 1 6 . 1 1 554 554 THR CB C 554 67.976 67.976 68.914 -0.938 19516 2312 1 6 . 1 1 554 554 THR H H 554 7.862 7.862 8.055 -0.193 19516 2313 1 6 . 1 1 555 555 VAL N N 555 122.618 122.618 122.547 0.071 19516 2314 1 6 . 1 1 555 555 VAL HA H 555 3.366 3.366 3.668 -0.302 19516 2315 1 6 . 1 1 555 555 VAL C C 555 177.296 177.296 177.633 -0.337 19516 2316 1 6 . 1 1 555 555 VAL CA C 555 68.041 68.041 66.962 1.079 19516 2317 1 6 . 1 1 555 555 VAL CB C 555 31.715 31.715 31.060 0.655 19516 2318 1 6 . 1 1 555 555 VAL H H 555 7.970 7.970 8.798 -0.828 19516 2319 1 6 . 1 1 556 556 ARG N N 556 118.700 118.700 118.338 0.362 19516 2320 1 6 . 1 1 556 556 ARG HA H 556 4.420 4.420 4.140 0.280 19516 2321 1 6 . 1 1 556 556 ARG C C 556 180.076 180.076 179.002 1.074 19516 2322 1 6 . 1 1 556 556 ARG CA C 556 58.628 58.628 58.955 -0.327 19516 2323 1 6 . 1 1 556 556 ARG CB C 556 29.147 29.147 29.760 -0.613 19516 2324 1 6 . 1 1 556 556 ARG H H 556 8.342 8.342 7.665 0.677 19516 2325 1 6 . 1 1 557 557 LYS N N 557 120.947 120.947 119.531 1.416 19516 2326 1 6 . 1 1 557 557 LYS HA H 557 3.913 3.913 4.058 -0.145 19516 2327 1 6 . 1 1 557 557 LYS C C 557 178.774 178.774 178.917 -0.143 19516 2328 1 6 . 1 1 557 557 LYS CA C 557 59.270 59.270 58.821 0.449 19516 2329 1 6 . 1 1 557 557 LYS CB C 557 32.075 32.075 32.335 -0.260 19516 2330 1 6 . 1 1 557 557 LYS H H 557 7.670 7.670 7.463 0.207 19516 2331 1 6 . 1 1 558 558 LEU N N 558 120.582 120.582 121.789 -1.207 19516 2332 1 6 . 1 1 558 558 LEU HA H 558 3.704 3.704 4.332 -0.628 19516 2333 1 6 . 1 1 558 558 LEU C C 558 178.702 178.702 178.337 0.365 19516 2334 1 6 . 1 1 558 558 LEU CA C 558 58.682 58.682 57.889 0.792 19516 2335 1 6 . 1 1 558 558 LEU CB C 558 42.744 42.744 41.624 1.120 19516 2336 1 6 . 1 1 558 558 LEU H H 558 8.166 8.166 8.060 0.106 19516 2337 1 6 . 1 1 559 559 GLN N N 559 115.514 115.514 115.849 -0.335 19516 2338 1 6 . 1 1 559 559 GLN HA H 559 3.869 3.869 3.981 -0.112 19516 2339 1 6 . 1 1 559 559 GLN C C 559 179.502 179.502 178.467 1.035 19516 2340 1 6 . 1 1 559 559 GLN CA C 559 59.568 59.568 58.527 1.041 19516 2341 1 6 . 1 1 559 559 GLN CB C 559 28.527 28.527 28.603 -0.076 19516 2342 1 6 . 1 1 559 559 GLN H H 559 8.441 8.441 8.380 0.061 19516 2343 1 6 . 1 1 560 560 SER N N 560 115.703 115.703 115.942 -0.239 19516 2344 1 6 . 1 1 560 560 SER HA H 560 4.310 4.310 4.212 0.098 19516 2345 1 6 . 1 1 560 560 SER C C 560 176.997 176.997 175.990 1.007 19516 2346 1 6 . 1 1 560 560 SER CA C 560 61.535 61.535 60.740 0.795 19516 2347 1 6 . 1 1 560 560 SER CB C 560 62.810 62.810 62.668 0.142 19516 2348 1 6 . 1 1 560 560 SER H H 560 7.883 7.883 7.543 0.340 19516 2349 1 6 . 1 1 561 561 TYR N N 561 121.470 121.470 118.646 2.824 19516 2350 1 6 . 1 1 561 561 TYR HA H 561 4.667 4.667 4.309 0.358 19516 2351 1 6 . 1 1 561 561 TYR C C 561 178.019 178.019 176.616 1.403 19516 2352 1 6 . 1 1 561 561 TYR CA C 561 57.854 57.854 60.663 -2.809 19516 2353 1 6 . 1 1 561 561 TYR CB C 561 36.842 36.842 37.806 -0.964 19516 2354 1 6 . 1 1 561 561 TYR H H 561 7.856 7.856 7.487 0.369 19516 2355 1 6 . 1 1 562 562 LEU N N 562 117.382 117.382 117.725 -0.343 19516 2356 1 6 . 1 1 562 562 LEU HA H 562 4.233 4.233 4.180 0.053 19516 2357 1 6 . 1 1 562 562 LEU C C 562 178.086 178.086 178.583 -0.497 19516 2358 1 6 . 1 1 562 562 LEU CA C 562 55.989 55.989 56.600 -0.612 19516 2359 1 6 . 1 1 562 562 LEU CB C 562 41.606 41.606 41.964 -0.358 19516 2360 1 6 . 1 1 562 562 LEU H H 562 7.618 7.618 7.344 0.274 19516 2361 1 6 . 1 1 563 563 GLU N N 563 119.602 119.602 115.620 3.982 19516 2362 1 6 . 1 1 563 563 GLU HA H 563 4.313 4.313 4.270 0.043 19516 2363 1 6 . 1 1 563 563 GLU C C 563 177.407 177.407 176.154 1.253 19516 2364 1 6 . 1 1 563 563 GLU CA C 563 57.577 57.577 56.530 1.047 19516 2365 1 6 . 1 1 563 563 GLU CB C 563 30.072 30.072 29.891 0.181 19516 2366 1 6 . 1 1 563 563 GLU H H 563 7.724 7.724 8.186 -0.462 19516 2367 1 6 . 1 1 564 564 THR N N 564 112.400 112.400 112.049 0.351 19516 2368 1 6 . 1 1 564 564 THR HA H 564 4.416 4.416 4.046 0.370 19516 2369 1 6 . 1 1 564 564 THR C C 564 174.998 174.998 174.787 0.211 19516 2370 1 6 . 1 1 564 564 THR CA C 564 62.021 62.021 63.280 -1.259 19516 2371 1 6 . 1 1 564 564 THR CB C 564 69.690 69.690 67.614 2.076 19516 2372 1 6 . 1 1 564 564 THR H H 564 8.019 8.019 7.662 0.357 19516 2373 1 6 . 1 1 565 565 SER N N 565 117.680 117.680 120.827 -3.147 19516 2374 1 6 . 1 1 565 565 SER HA H 565 4.463 4.463 4.365 0.098 19516 2375 1 6 . 1 1 565 565 SER C C 565 175.109 175.109 174.473 0.636 19516 2376 1 6 . 1 1 565 565 SER CA C 565 58.814 58.814 58.671 0.143 19516 2377 1 6 . 1 1 565 565 SER CB C 565 63.945 63.945 63.155 0.790 19516 2378 1 6 . 1 1 565 565 SER H H 565 8.136 8.136 8.601 -0.465 19516 2379 1 6 . 1 1 566 566 GLY N N 566 111.023 111.023 108.439 2.584 19516 2380 1 6 . 1 1 566 566 GLY C C 566 174.384 174.384 175.018 -0.634 19516 2381 1 6 . 1 1 566 566 GLY CA C 566 45.575 45.575 44.940 0.635 19516 2382 1 6 . 1 1 566 566 GLY H H 566 8.510 8.510 7.536 0.974 19516 2383 1 6 . 1 1 567 567 THR N N 567 113.077 113.077 113.639 -0.562 19516 2384 1 6 . 1 1 567 567 THR HA H 567 4.405 4.405 4.179 0.226 19516 2385 1 6 . 1 1 567 567 THR C C 567 173.995 173.995 173.946 0.049 19516 2386 1 6 . 1 1 567 567 THR CA C 567 61.713 61.713 63.906 -2.193 19516 2387 1 6 . 1 1 567 567 THR CB C 567 70.013 70.013 68.957 1.056 19516 2388 1 6 . 1 1 567 567 THR H H 567 8.061 8.061 8.249 -0.188 19516 2389 1 7 . 1 1 501 501 LYS N N 501 125.415 125.415 119.566 5.849 19516 2390 1 7 . 1 1 501 501 LYS HA H 501 4.007 4.007 4.218 -0.211 19516 2391 1 7 . 1 1 501 501 LYS C C 501 177.113 177.113 178.115 -1.002 19516 2392 1 7 . 1 1 501 501 LYS CA C 501 59.115 59.115 57.603 1.512 19516 2393 1 7 . 1 1 501 501 LYS CB C 501 32.793 32.793 32.619 0.174 19516 2394 1 7 . 1 1 501 501 LYS H H 501 8.677 8.677 8.464 0.213 19516 2395 1 7 . 1 1 502 502 ALA N N 502 120.718 120.718 121.746 -1.028 19516 2396 1 7 . 1 1 502 502 ALA HA H 502 4.240 4.240 4.266 -0.026 19516 2397 1 7 . 1 1 502 502 ALA C C 502 180.345 180.345 178.721 1.624 19516 2398 1 7 . 1 1 502 502 ALA CA C 502 54.738 54.738 54.158 0.580 19516 2399 1 7 . 1 1 502 502 ALA CB C 502 18.172 18.172 18.347 -0.175 19516 2400 1 7 . 1 1 502 502 ALA H H 502 8.382 8.382 8.117 0.265 19516 2401 1 7 . 1 1 503 503 TYR N N 503 120.200 120.200 120.519 -0.319 19516 2402 1 7 . 1 1 503 503 TYR HA H 503 4.543 4.543 4.081 0.462 19516 2403 1 7 . 1 1 503 503 TYR C C 503 177.235 177.235 177.650 -0.415 19516 2404 1 7 . 1 1 503 503 TYR CA C 503 60.020 60.020 61.261 -1.242 19516 2405 1 7 . 1 1 503 503 TYR CB C 503 38.707 38.707 38.307 0.400 19516 2406 1 7 . 1 1 503 503 TYR H H 503 7.817 7.817 7.613 0.204 19516 2407 1 7 . 1 1 504 504 LEU N N 504 120.133 120.133 117.951 2.182 19516 2408 1 7 . 1 1 504 504 LEU HA H 504 3.857 3.857 3.899 -0.042 19516 2409 1 7 . 1 1 504 504 LEU C C 504 178.616 178.616 179.606 -0.990 19516 2410 1 7 . 1 1 504 504 LEU CA C 504 58.200 58.200 58.420 -0.220 19516 2411 1 7 . 1 1 504 504 LEU CB C 504 41.066 41.066 41.247 -0.181 19516 2412 1 7 . 1 1 504 504 LEU H H 504 8.175 8.175 8.210 -0.035 19516 2413 1 7 . 1 1 505 505 ASP N N 505 117.709 117.709 119.322 -1.613 19516 2414 1 7 . 1 1 505 505 ASP HA H 505 4.307 4.307 4.282 0.025 19516 2415 1 7 . 1 1 505 505 ASP C C 505 179.849 179.849 178.363 1.486 19516 2416 1 7 . 1 1 505 505 ASP CA C 505 57.578 57.578 57.279 0.299 19516 2417 1 7 . 1 1 505 505 ASP CB C 505 39.811 39.811 40.427 -0.616 19516 2418 1 7 . 1 1 505 505 ASP H H 505 8.308 8.308 7.864 0.444 19516 2419 1 7 . 1 1 506 506 GLU N N 506 121.244 121.244 117.913 3.331 19516 2420 1 7 . 1 1 506 506 GLU HA H 506 4.038 4.038 4.053 -0.015 19516 2421 1 7 . 1 1 506 506 GLU C C 506 179.957 179.957 179.296 0.661 19516 2422 1 7 . 1 1 506 506 GLU CA C 506 59.786 59.786 58.757 1.029 19516 2423 1 7 . 1 1 506 506 GLU CB C 506 29.644 29.644 29.310 0.334 19516 2424 1 7 . 1 1 506 506 GLU H H 506 7.657 7.657 7.970 -0.313 19516 2425 1 7 . 1 1 507 507 LEU N N 507 121.550 121.550 118.906 2.644 19516 2426 1 7 . 1 1 507 507 LEU HA H 507 3.860 3.860 4.280 -0.420 19516 2427 1 7 . 1 1 507 507 LEU C C 507 178.973 178.973 178.837 0.136 19516 2428 1 7 . 1 1 507 507 LEU CA C 507 57.925 57.925 57.264 0.661 19516 2429 1 7 . 1 1 507 507 LEU CB C 507 41.882 41.882 41.816 0.066 19516 2430 1 7 . 1 1 507 507 LEU H H 507 8.255 8.255 8.230 0.025 19516 2431 1 7 . 1 1 508 508 VAL N N 508 121.174 121.174 121.072 0.102 19516 2432 1 7 . 1 1 508 508 VAL HA H 508 3.522 3.522 3.571 -0.049 19516 2433 1 7 . 1 1 508 508 VAL C C 508 178.831 178.831 177.720 1.111 19516 2434 1 7 . 1 1 508 508 VAL CA C 508 67.098 67.098 67.693 -0.595 19516 2435 1 7 . 1 1 508 508 VAL CB C 508 31.988 31.988 31.163 0.826 19516 2436 1 7 . 1 1 508 508 VAL H H 508 8.679 8.679 7.988 0.691 19516 2437 1 7 . 1 1 509 509 GLU N N 509 120.516 120.516 119.531 0.985 19516 2438 1 7 . 1 1 509 509 GLU HA H 509 4.286 4.286 3.957 0.329 19516 2439 1 7 . 1 1 509 509 GLU C C 509 178.354 178.354 179.235 -0.881 19516 2440 1 7 . 1 1 509 509 GLU CA C 509 58.837 58.837 59.951 -1.114 19516 2441 1 7 . 1 1 509 509 GLU CB C 509 28.859 28.859 29.605 -0.746 19516 2442 1 7 . 1 1 509 509 GLU H H 509 7.534 7.534 7.805 -0.271 19516 2443 1 7 . 1 1 510 510 LEU N N 510 121.442 121.442 119.191 2.251 19516 2444 1 7 . 1 1 510 510 LEU HA H 510 4.141 4.141 4.030 0.111 19516 2445 1 7 . 1 1 510 510 LEU C C 510 177.961 177.961 179.013 -1.052 19516 2446 1 7 . 1 1 510 510 LEU CA C 510 57.722 57.722 58.016 -0.294 19516 2447 1 7 . 1 1 510 510 LEU CB C 510 41.776 41.776 40.833 0.943 19516 2448 1 7 . 1 1 510 510 LEU H H 510 8.018 8.018 7.599 0.419 19516 2449 1 7 . 1 1 511 511 HIS N N 511 119.858 119.858 119.358 0.500 19516 2450 1 7 . 1 1 511 511 HIS HA H 511 3.708 3.708 4.067 -0.359 19516 2451 1 7 . 1 1 511 511 HIS C C 511 176.325 176.325 177.246 -0.921 19516 2452 1 7 . 1 1 511 511 HIS CA C 511 62.252 62.252 60.492 1.760 19516 2453 1 7 . 1 1 511 511 HIS CB C 511 31.459 31.459 29.808 1.651 19516 2454 1 7 . 1 1 511 511 HIS H H 511 9.028 9.028 8.901 0.127 19516 2455 1 7 . 1 1 512 512 ARG N N 512 117.523 117.523 119.102 -1.579 19516 2456 1 7 . 1 1 512 512 ARG HA H 512 3.859 3.859 3.812 0.047 19516 2457 1 7 . 1 1 512 512 ARG C C 512 179.801 179.801 178.497 1.304 19516 2458 1 7 . 1 1 512 512 ARG CA C 512 59.584 59.584 58.690 0.894 19516 2459 1 7 . 1 1 512 512 ARG CB C 512 30.154 30.154 29.592 0.562 19516 2460 1 7 . 1 1 512 512 ARG H H 512 7.942 7.942 8.579 -0.637 19516 2461 1 7 . 1 1 513 513 ARG N N 513 117.870 117.870 119.581 -1.711 19516 2462 1 7 . 1 1 513 513 ARG HA H 513 4.041 4.041 4.002 0.039 19516 2463 1 7 . 1 1 513 513 ARG C C 513 179.852 179.852 178.923 0.929 19516 2464 1 7 . 1 1 513 513 ARG CA C 513 58.766 58.766 59.359 -0.593 19516 2465 1 7 . 1 1 513 513 ARG CB C 513 30.582 30.582 29.603 0.979 19516 2466 1 7 . 1 1 513 513 ARG H H 513 7.845 7.845 8.126 -0.281 19516 2467 1 7 . 1 1 514 514 LEU N N 514 119.343 119.343 119.067 0.276 19516 2468 1 7 . 1 1 514 514 LEU HA H 514 4.031 4.031 3.934 0.097 19516 2469 1 7 . 1 1 514 514 LEU C C 514 178.922 178.922 178.598 0.324 19516 2470 1 7 . 1 1 514 514 LEU CA C 514 57.671 57.671 57.820 -0.149 19516 2471 1 7 . 1 1 514 514 LEU CB C 514 41.926 41.926 41.748 0.178 19516 2472 1 7 . 1 1 514 514 LEU H H 514 8.753 8.753 8.326 0.427 19516 2473 1 7 . 1 1 515 515 MET N N 515 115.167 115.167 116.403 -1.236 19516 2474 1 7 . 1 1 515 515 MET HA H 515 4.397 4.397 3.955 0.442 19516 2475 1 7 . 1 1 515 515 MET C C 515 177.921 177.921 177.967 -0.046 19516 2476 1 7 . 1 1 515 515 MET CA C 515 56.895 56.895 58.444 -1.549 19516 2477 1 7 . 1 1 515 515 MET CB C 515 31.659 31.659 32.966 -1.307 19516 2478 1 7 . 1 1 515 515 MET H H 515 7.810 7.810 8.012 -0.202 19516 2479 1 7 . 1 1 516 516 THR N N 516 106.551 106.551 109.623 -3.072 19516 2480 1 7 . 1 1 516 516 THR HA H 516 4.441 4.441 4.283 0.158 19516 2481 1 7 . 1 1 516 516 THR C C 516 174.390 174.390 175.505 -1.115 19516 2482 1 7 . 1 1 516 516 THR CA C 516 61.133 61.133 62.790 -1.657 19516 2483 1 7 . 1 1 516 516 THR CB C 516 69.787 69.787 69.696 0.091 19516 2484 1 7 . 1 1 516 516 THR H H 516 7.269 7.269 7.605 -0.336 19516 2485 1 7 . 1 1 517 517 LEU N N 517 123.805 123.805 124.298 -0.493 19516 2486 1 7 . 1 1 517 517 LEU HA H 517 4.283 4.283 4.142 0.141 19516 2487 1 7 . 1 1 517 517 LEU C C 517 177.241 177.241 176.563 0.678 19516 2488 1 7 . 1 1 517 517 LEU CA C 517 56.137 56.137 56.083 0.054 19516 2489 1 7 . 1 1 517 517 LEU CB C 517 42.974 42.974 42.508 0.466 19516 2490 1 7 . 1 1 517 517 LEU H H 517 7.036 7.036 7.856 -0.820 19516 2491 1 7 . 1 1 518 518 ARG N N 518 122.669 122.669 125.264 -2.595 19516 2492 1 7 . 1 1 518 518 ARG HA H 518 4.598 4.598 4.314 0.284 19516 2493 1 7 . 1 1 518 518 ARG C C 518 175.915 175.915 175.679 0.236 19516 2494 1 7 . 1 1 518 518 ARG CA C 518 54.831 54.831 56.023 -1.192 19516 2495 1 7 . 1 1 518 518 ARG CB C 518 32.442 32.442 30.884 1.558 19516 2496 1 7 . 1 1 518 518 ARG H H 518 9.040 9.040 8.292 0.748 19516 2497 1 7 . 1 1 519 519 GLU N N 519 121.385 121.385 119.822 1.563 19516 2498 1 7 . 1 1 519 519 GLU HA H 519 4.295 4.295 4.291 0.004 19516 2499 1 7 . 1 1 519 519 GLU C C 519 177.016 177.016 177.118 -0.102 19516 2500 1 7 . 1 1 519 519 GLU CA C 519 57.380 57.380 55.912 1.468 19516 2501 1 7 . 1 1 519 519 GLU CB C 519 30.017 30.017 29.274 0.743 19516 2502 1 7 . 1 1 519 519 GLU H H 519 7.172 7.172 8.012 -0.840 19516 2503 1 7 . 1 1 520 520 ARG N N 520 128.171 128.171 128.029 0.142 19516 2504 1 7 . 1 1 520 520 ARG HA H 520 3.811 3.811 3.962 -0.151 19516 2505 1 7 . 1 1 520 520 ARG C C 520 177.930 177.930 177.362 0.568 19516 2506 1 7 . 1 1 520 520 ARG CA C 520 60.867 60.867 58.844 2.023 19516 2507 1 7 . 1 1 520 520 ARG CB C 520 30.187 30.187 29.748 0.439 19516 2508 1 7 . 1 1 520 520 ARG H H 520 8.918 8.918 8.325 0.593 19516 2509 1 7 . 1 1 521 521 HIS N N 521 116.808 116.808 119.746 -2.938 19516 2510 1 7 . 1 1 521 521 HIS HA H 521 4.402 4.402 4.278 0.124 19516 2511 1 7 . 1 1 521 521 HIS C C 521 177.637 177.637 176.879 0.758 19516 2512 1 7 . 1 1 521 521 HIS CA C 521 59.645 59.645 58.873 0.772 19516 2513 1 7 . 1 1 521 521 HIS CB C 521 28.425 28.425 29.945 -1.520 19516 2514 1 7 . 1 1 521 521 HIS H H 521 9.073 9.073 8.365 0.708 19516 2515 1 7 . 1 1 522 522 ILE N N 522 119.592 119.592 118.162 1.430 19516 2516 1 7 . 1 1 522 522 ILE HA H 522 3.896 3.896 3.839 0.057 19516 2517 1 7 . 1 1 522 522 ILE C C 522 177.866 177.866 177.517 0.349 19516 2518 1 7 . 1 1 522 522 ILE CA C 522 63.397 63.397 61.801 1.596 19516 2519 1 7 . 1 1 522 522 ILE CB C 522 37.650 37.650 37.380 0.270 19516 2520 1 7 . 1 1 522 522 ILE H H 522 7.088 7.088 7.471 -0.383 19516 2521 1 7 . 1 1 523 523 LEU N N 523 119.719 119.719 119.945 -0.226 19516 2522 1 7 . 1 1 523 523 LEU HA H 523 3.819 3.819 3.708 0.111 19516 2523 1 7 . 1 1 523 523 LEU C C 523 178.379 178.379 179.219 -0.840 19516 2524 1 7 . 1 1 523 523 LEU CA C 523 58.386 58.386 57.895 0.491 19516 2525 1 7 . 1 1 523 523 LEU CB C 523 41.318 41.318 40.748 0.570 19516 2526 1 7 . 1 1 523 523 LEU H H 523 7.905 7.905 7.424 0.481 19516 2527 1 7 . 1 1 524 524 GLN N N 524 116.700 116.700 118.134 -1.434 19516 2528 1 7 . 1 1 524 524 GLN HA H 524 3.552 3.552 3.730 -0.178 19516 2529 1 7 . 1 1 524 524 GLN C C 524 177.441 177.441 177.864 -0.423 19516 2530 1 7 . 1 1 524 524 GLN CA C 524 58.259 58.259 58.911 -0.652 19516 2531 1 7 . 1 1 524 524 GLN CB C 524 29.097 29.097 28.656 0.441 19516 2532 1 7 . 1 1 524 524 GLN H H 524 8.265 8.265 8.357 -0.092 19516 2533 1 7 . 1 1 525 525 GLN N N 525 117.608 117.608 118.689 -1.081 19516 2534 1 7 . 1 1 525 525 GLN HA H 525 3.777 3.777 3.753 0.024 19516 2535 1 7 . 1 1 525 525 GLN C C 525 179.278 179.278 178.314 0.964 19516 2536 1 7 . 1 1 525 525 GLN CA C 525 58.986 58.986 57.854 1.132 19516 2537 1 7 . 1 1 525 525 GLN CB C 525 28.545 28.545 27.634 0.911 19516 2538 1 7 . 1 1 525 525 GLN H H 525 7.300 7.300 7.487 -0.187 19516 2539 1 7 . 1 1 526 526 ILE N N 526 119.883 119.883 119.763 0.120 19516 2540 1 7 . 1 1 526 526 ILE HA H 526 3.434 3.434 3.342 0.092 19516 2541 1 7 . 1 1 526 526 ILE C C 526 176.638 176.638 177.510 -0.872 19516 2542 1 7 . 1 1 526 526 ILE CA C 526 66.116 66.116 64.878 1.238 19516 2543 1 7 . 1 1 526 526 ILE CB C 526 37.581 37.581 37.514 0.067 19516 2544 1 7 . 1 1 526 526 ILE H H 526 8.039 8.039 7.672 0.367 19516 2545 1 7 . 1 1 527 527 VAL N N 527 119.535 119.535 119.605 -0.070 19516 2546 1 7 . 1 1 527 527 VAL HA H 527 2.791 2.791 2.915 -0.124 19516 2547 1 7 . 1 1 527 527 VAL C C 527 176.957 176.957 177.581 -0.624 19516 2548 1 7 . 1 1 527 527 VAL CA C 527 66.371 66.371 66.579 -0.208 19516 2549 1 7 . 1 1 527 527 VAL CB C 527 30.623 30.623 30.856 -0.233 19516 2550 1 7 . 1 1 527 527 VAL H H 527 8.052 8.052 7.483 0.569 19516 2551 1 7 . 1 1 528 528 ASN N N 528 117.957 117.957 115.510 2.447 19516 2552 1 7 . 1 1 528 528 ASN HA H 528 4.138 4.138 4.299 -0.161 19516 2553 1 7 . 1 1 528 528 ASN C C 528 178.148 178.148 177.716 0.432 19516 2554 1 7 . 1 1 528 528 ASN CA C 528 55.696 55.696 55.421 0.275 19516 2555 1 7 . 1 1 528 528 ASN CB C 528 37.192 37.192 37.739 -0.547 19516 2556 1 7 . 1 1 528 528 ASN H H 528 8.172 8.172 7.600 0.572 19516 2557 1 7 . 1 1 529 529 LEU N N 529 120.654 120.654 121.559 -0.905 19516 2558 1 7 . 1 1 529 529 LEU HA H 529 4.166 4.166 4.147 0.019 19516 2559 1 7 . 1 1 529 529 LEU C C 529 178.908 178.908 178.063 0.845 19516 2560 1 7 . 1 1 529 529 LEU CA C 529 57.870 57.870 57.639 0.231 19516 2561 1 7 . 1 1 529 529 LEU CB C 529 42.512 42.512 41.754 0.758 19516 2562 1 7 . 1 1 529 529 LEU H H 529 7.666 7.666 7.740 -0.074 19516 2563 1 7 . 1 1 530 530 ILE N N 530 117.213 117.213 115.478 1.735 19516 2564 1 7 . 1 1 530 530 ILE HA H 530 3.677 3.677 3.914 -0.237 19516 2565 1 7 . 1 1 530 530 ILE C C 530 180.762 180.762 179.132 1.630 19516 2566 1 7 . 1 1 530 530 ILE CA C 530 61.592 61.592 64.272 -2.680 19516 2567 1 7 . 1 1 530 530 ILE CB C 530 34.726 34.726 37.866 -3.140 19516 2568 1 7 . 1 1 530 530 ILE H H 530 8.543 8.543 7.752 0.791 19516 2569 1 7 . 1 1 531 531 GLU N N 531 124.050 124.050 121.284 2.766 19516 2570 1 7 . 1 1 531 531 GLU HA H 531 3.940 3.940 3.766 0.174 19516 2571 1 7 . 1 1 531 531 GLU C C 531 178.698 178.698 178.518 0.180 19516 2572 1 7 . 1 1 531 531 GLU CA C 531 59.763 59.763 59.940 -0.176 19516 2573 1 7 . 1 1 531 531 GLU CB C 531 27.691 27.691 29.190 -1.499 19516 2574 1 7 . 1 1 531 531 GLU H H 531 9.276 9.276 8.699 0.577 19516 2575 1 7 . 1 1 532 532 GLU N N 532 116.396 116.396 116.958 -0.562 19516 2576 1 7 . 1 1 532 532 GLU HA H 532 3.995 3.995 4.172 -0.177 19516 2577 1 7 . 1 1 532 532 GLU C C 532 178.030 178.030 178.308 -0.278 19516 2578 1 7 . 1 1 532 532 GLU CA C 532 58.903 58.903 58.929 -0.026 19516 2579 1 7 . 1 1 532 532 GLU CB C 532 29.666 29.666 29.396 0.270 19516 2580 1 7 . 1 1 532 532 GLU H H 532 7.003 7.003 7.802 -0.799 19516 2581 1 7 . 1 1 533 533 THR N N 533 107.227 107.227 114.084 -6.857 19516 2582 1 7 . 1 1 533 533 THR HA H 533 4.328 4.328 4.214 0.114 19516 2583 1 7 . 1 1 533 533 THR C C 533 176.559 176.559 176.082 0.477 19516 2584 1 7 . 1 1 533 533 THR CA C 533 63.112 63.112 64.351 -1.239 19516 2585 1 7 . 1 1 533 533 THR CB C 533 71.513 71.513 69.602 1.911 19516 2586 1 7 . 1 1 533 533 THR H H 533 7.611 7.611 8.253 -0.642 19516 2587 1 7 . 1 1 534 534 GLY N N 534 106.448 106.448 107.971 -1.523 19516 2588 1 7 . 1 1 534 534 GLY C C 534 174.199 174.199 174.159 0.040 19516 2589 1 7 . 1 1 534 534 GLY CA C 534 45.527 45.527 45.049 0.478 19516 2590 1 7 . 1 1 534 534 GLY H H 534 7.618 7.618 8.176 -0.558 19516 2591 1 7 . 1 1 535 535 HIS N N 535 121.292 121.292 124.738 -3.446 19516 2592 1 7 . 1 1 535 535 HIS HA H 535 4.909 4.909 4.651 0.258 19516 2593 1 7 . 1 1 535 535 HIS C C 535 172.641 172.641 173.553 -0.912 19516 2594 1 7 . 1 1 535 535 HIS CA C 535 53.806 53.806 55.180 -1.374 19516 2595 1 7 . 1 1 535 535 HIS CB C 535 27.013 27.013 27.581 -0.568 19516 2596 1 7 . 1 1 535 535 HIS H H 535 8.430 8.430 8.572 -0.142 19516 2597 1 7 . 1 1 536 536 PHE N N 536 115.908 115.908 119.442 -3.534 19516 2598 1 7 . 1 1 536 536 PHE HA H 536 5.282 5.282 5.029 0.253 19516 2599 1 7 . 1 1 536 536 PHE C C 536 173.438 173.438 173.768 -0.330 19516 2600 1 7 . 1 1 536 536 PHE CA C 536 55.736 55.736 56.539 -0.803 19516 2601 1 7 . 1 1 536 536 PHE CB C 536 42.099 42.099 41.098 1.001 19516 2602 1 7 . 1 1 536 536 PHE H H 536 7.173 7.173 7.378 -0.205 19516 2603 1 7 . 1 1 537 537 HIS N N 537 117.767 117.767 117.104 0.663 19516 2604 1 7 . 1 1 537 537 HIS HA H 537 4.667 4.667 5.032 -0.365 19516 2605 1 7 . 1 1 537 537 HIS C C 537 172.182 172.182 174.087 -1.905 19516 2606 1 7 . 1 1 537 537 HIS CA C 537 55.264 55.264 54.755 0.509 19516 2607 1 7 . 1 1 537 537 HIS CB C 537 32.118 32.118 30.602 1.516 19516 2608 1 7 . 1 1 537 537 HIS H H 537 9.185 9.185 8.270 0.915 19516 2609 1 7 . 1 1 538 538 ILE N N 538 123.861 123.861 125.652 -1.791 19516 2610 1 7 . 1 1 538 538 ILE HA H 538 4.986 4.986 4.282 0.704 19516 2611 1 7 . 1 1 538 538 ILE C C 538 176.686 176.686 176.298 0.388 19516 2612 1 7 . 1 1 538 538 ILE CA C 538 60.271 60.271 61.073 -0.802 19516 2613 1 7 . 1 1 538 538 ILE CB C 538 39.400 39.400 38.023 1.377 19516 2614 1 7 . 1 1 538 538 ILE H H 538 8.649 8.649 8.614 0.035 19516 2615 1 7 . 1 1 539 539 THR N N 539 119.438 119.438 121.263 -1.825 19516 2616 1 7 . 1 1 539 539 THR HA H 539 4.726 4.726 4.448 0.278 19516 2617 1 7 . 1 1 539 539 THR C C 539 173.788 173.788 176.260 -2.472 19516 2618 1 7 . 1 1 539 539 THR CA C 539 60.256 60.256 61.171 -0.915 19516 2619 1 7 . 1 1 539 539 THR CB C 539 70.391 70.391 70.020 0.371 19516 2620 1 7 . 1 1 539 539 THR H H 539 9.118 9.118 8.259 0.859 19516 2621 1 7 . 1 1 540 540 ASN N N 540 114.191 114.191 117.947 -3.756 19516 2622 1 7 . 1 1 540 540 ASN HA H 540 4.542 4.542 4.540 0.002 19516 2623 1 7 . 1 1 540 540 ASN C C 540 176.815 176.815 175.328 1.487 19516 2624 1 7 . 1 1 540 540 ASN CA C 540 56.202 56.202 55.148 1.054 19516 2625 1 7 . 1 1 540 540 ASN CB C 540 38.371 38.371 38.619 -0.248 19516 2626 1 7 . 1 1 540 540 ASN H H 540 8.569 8.569 8.681 -0.112 19516 2627 1 7 . 1 1 541 541 THR N N 541 102.711 102.711 113.821 -11.110 19516 2628 1 7 . 1 1 541 541 THR HA H 541 4.688 4.688 4.516 0.172 19516 2629 1 7 . 1 1 541 541 THR C C 541 175.793 175.793 172.883 2.910 19516 2630 1 7 . 1 1 541 541 THR CA C 541 61.897 61.897 61.831 0.066 19516 2631 1 7 . 1 1 541 541 THR CB C 541 71.614 71.614 69.048 2.566 19516 2632 1 7 . 1 1 541 541 THR H H 541 7.913 7.913 8.294 -0.381 19516 2633 1 7 . 1 1 542 542 THR N N 542 115.756 115.756 116.286 -0.530 19516 2634 1 7 . 1 1 542 542 THR HA H 542 5.196 5.196 4.462 0.734 19516 2635 1 7 . 1 1 542 542 THR C C 542 170.174 170.174 172.446 -2.272 19516 2636 1 7 . 1 1 542 542 THR CA C 542 61.241 61.241 61.812 -0.571 19516 2637 1 7 . 1 1 542 542 THR CB C 542 72.559 72.559 70.373 2.186 19516 2638 1 7 . 1 1 542 542 THR H H 542 8.164 8.164 8.309 -0.145 19516 2639 1 7 . 1 1 543 543 PHE N N 543 122.724 122.724 122.750 -0.026 19516 2640 1 7 . 1 1 543 543 PHE HA H 543 4.754 4.754 4.713 0.041 19516 2641 1 7 . 1 1 543 543 PHE C C 543 173.268 173.268 173.883 -0.615 19516 2642 1 7 . 1 1 543 543 PHE CA C 543 57.809 57.809 56.913 0.896 19516 2643 1 7 . 1 1 543 543 PHE CB C 543 41.077 41.077 40.346 0.731 19516 2644 1 7 . 1 1 543 543 PHE H H 543 9.363 9.363 8.555 0.808 19516 2645 1 7 . 1 1 544 544 ASP N N 544 128.063 128.063 128.096 -0.033 19516 2646 1 7 . 1 1 544 544 ASP HA H 544 6.057 6.057 4.932 1.125 19516 2647 1 7 . 1 1 544 544 ASP C C 544 175.674 175.674 174.043 1.631 19516 2648 1 7 . 1 1 544 544 ASP CA C 544 52.913 52.913 52.939 -0.026 19516 2649 1 7 . 1 1 544 544 ASP CB C 544 42.879 42.879 42.638 0.241 19516 2650 1 7 . 1 1 544 544 ASP H H 544 8.751 8.751 7.891 0.860 19516 2651 1 7 . 1 1 545 545 PHE N N 545 114.137 114.137 117.371 -3.234 19516 2652 1 7 . 1 1 545 545 PHE HA H 545 4.925 4.925 4.923 0.002 19516 2653 1 7 . 1 1 545 545 PHE C C 545 171.897 171.897 173.578 -1.681 19516 2654 1 7 . 1 1 545 545 PHE CA C 545 56.380 56.380 56.001 0.379 19516 2655 1 7 . 1 1 545 545 PHE CB C 545 41.371 41.371 42.004 -0.633 19516 2656 1 7 . 1 1 545 545 PHE H H 545 8.662 8.662 7.973 0.689 19516 2657 1 7 . 1 1 546 546 ASP N N 546 121.001 121.001 120.263 0.738 19516 2658 1 7 . 1 1 546 546 ASP HA H 546 5.019 5.019 4.671 0.348 19516 2659 1 7 . 1 1 546 546 ASP C C 546 178.950 178.950 176.408 2.542 19516 2660 1 7 . 1 1 546 546 ASP CA C 546 52.045 52.045 52.884 -0.839 19516 2661 1 7 . 1 1 546 546 ASP CB C 546 43.129 43.129 42.705 0.424 19516 2662 1 7 . 1 1 546 546 ASP H H 546 9.219 9.219 8.509 0.710 19516 2663 1 7 . 1 1 547 547 LEU N N 547 126.156 126.156 120.480 5.676 19516 2664 1 7 . 1 1 547 547 LEU HA H 547 4.104 4.104 4.433 -0.329 19516 2665 1 7 . 1 1 547 547 LEU C C 547 178.679 178.679 177.919 0.760 19516 2666 1 7 . 1 1 547 547 LEU CA C 547 58.272 58.272 56.323 1.949 19516 2667 1 7 . 1 1 547 547 LEU CB C 547 43.101 43.101 41.470 1.631 19516 2668 1 7 . 1 1 547 547 LEU H H 547 8.623 8.623 8.648 -0.025 19516 2669 1 7 . 1 1 548 548 CYS N N 548 113.743 113.743 117.094 -3.351 19516 2670 1 7 . 1 1 548 548 CYS HA H 548 4.021 4.021 4.327 -0.306 19516 2671 1 7 . 1 1 548 548 CYS C C 548 174.884 174.884 175.165 -0.281 19516 2672 1 7 . 1 1 548 548 CYS CA C 548 61.823 61.823 59.083 2.740 19516 2673 1 7 . 1 1 548 548 CYS CB C 548 27.228 27.228 25.997 1.231 19516 2674 1 7 . 1 1 548 548 CYS H H 548 8.820 8.820 8.183 0.637 19516 2675 1 7 . 1 1 549 549 SER N N 549 113.613 113.613 114.333 -0.720 19516 2676 1 7 . 1 1 549 549 SER HA H 549 4.456 4.456 4.294 0.162 19516 2677 1 7 . 1 1 549 549 SER C C 549 173.519 173.519 174.309 -0.790 19516 2678 1 7 . 1 1 549 549 SER CA C 549 58.515 58.515 58.502 0.013 19516 2679 1 7 . 1 1 549 549 SER CB C 549 64.459 64.459 62.634 1.825 19516 2680 1 7 . 1 1 549 549 SER H H 549 7.720 7.720 7.314 0.406 19516 2681 1 7 . 1 1 550 550 LEU N N 550 118.126 118.126 124.256 -6.130 19516 2682 1 7 . 1 1 550 550 LEU HA H 550 4.471 4.471 4.399 0.072 19516 2683 1 7 . 1 1 550 550 LEU C C 550 176.903 176.903 176.620 0.283 19516 2684 1 7 . 1 1 550 550 LEU CA C 550 53.498 53.498 54.435 -0.937 19516 2685 1 7 . 1 1 550 550 LEU CB C 550 43.619 43.619 42.537 1.082 19516 2686 1 7 . 1 1 550 550 LEU H H 550 6.779 6.779 7.134 -0.355 19516 2687 1 7 . 1 1 551 551 ASP N N 551 121.893 121.893 123.443 -1.550 19516 2688 1 7 . 1 1 551 551 ASP HA H 551 4.665 4.665 4.651 0.014 19516 2689 1 7 . 1 1 551 551 ASP C C 551 176.382 176.382 177.333 -0.951 19516 2690 1 7 . 1 1 551 551 ASP CA C 551 53.535 53.535 53.952 -0.417 19516 2691 1 7 . 1 1 551 551 ASP CB C 551 42.051 42.051 43.442 -1.391 19516 2692 1 7 . 1 1 551 551 ASP H H 551 9.082 9.082 8.685 0.397 19516 2693 1 7 . 1 1 552 552 LYS N N 552 121.414 121.414 124.126 -2.712 19516 2694 1 7 . 1 1 552 552 LYS HA H 552 4.149 4.149 4.164 -0.015 19516 2695 1 7 . 1 1 552 552 LYS C C 552 179.021 179.021 178.907 0.114 19516 2696 1 7 . 1 1 552 552 LYS CA C 552 60.233 60.233 59.879 0.354 19516 2697 1 7 . 1 1 552 552 LYS CB C 552 32.495 32.495 32.686 -0.191 19516 2698 1 7 . 1 1 552 552 LYS H H 552 8.601 8.601 8.655 -0.054 19516 2699 1 7 . 1 1 553 553 THR N N 553 113.449 113.449 113.908 -0.459 19516 2700 1 7 . 1 1 553 553 THR HA H 553 3.910 3.910 4.165 -0.255 19516 2701 1 7 . 1 1 553 553 THR C C 553 177.036 177.036 176.462 0.574 19516 2702 1 7 . 1 1 553 553 THR CA C 553 66.065 66.065 65.808 0.257 19516 2703 1 7 . 1 1 553 553 THR CB C 553 68.436 68.436 68.685 -0.249 19516 2704 1 7 . 1 1 553 553 THR H H 553 8.244 8.244 7.984 0.260 19516 2705 1 7 . 1 1 554 554 THR N N 554 120.799 120.799 117.593 3.206 19516 2706 1 7 . 1 1 554 554 THR HA H 554 3.828 3.828 4.243 -0.415 19516 2707 1 7 . 1 1 554 554 THR C C 554 176.156 176.156 175.637 0.519 19516 2708 1 7 . 1 1 554 554 THR CA C 554 66.779 66.779 66.136 0.643 19516 2709 1 7 . 1 1 554 554 THR CB C 554 67.976 67.976 68.731 -0.755 19516 2710 1 7 . 1 1 554 554 THR H H 554 7.862 7.862 7.319 0.543 19516 2711 1 7 . 1 1 555 555 VAL N N 555 122.618 122.618 122.369 0.249 19516 2712 1 7 . 1 1 555 555 VAL HA H 555 3.366 3.366 3.691 -0.325 19516 2713 1 7 . 1 1 555 555 VAL C C 555 177.296 177.296 177.713 -0.417 19516 2714 1 7 . 1 1 555 555 VAL CA C 555 68.041 68.041 66.803 1.238 19516 2715 1 7 . 1 1 555 555 VAL CB C 555 31.715 31.715 31.037 0.678 19516 2716 1 7 . 1 1 555 555 VAL H H 555 7.970 7.970 8.842 -0.872 19516 2717 1 7 . 1 1 556 556 ARG N N 556 118.700 118.700 117.850 0.850 19516 2718 1 7 . 1 1 556 556 ARG HA H 556 4.420 4.420 4.030 0.390 19516 2719 1 7 . 1 1 556 556 ARG C C 556 180.076 180.076 178.886 1.190 19516 2720 1 7 . 1 1 556 556 ARG CA C 556 58.628 58.628 58.822 -0.194 19516 2721 1 7 . 1 1 556 556 ARG CB C 556 29.147 29.147 29.844 -0.697 19516 2722 1 7 . 1 1 556 556 ARG H H 556 8.342 8.342 7.671 0.671 19516 2723 1 7 . 1 1 557 557 LYS N N 557 120.947 120.947 119.522 1.425 19516 2724 1 7 . 1 1 557 557 LYS HA H 557 3.913 3.913 4.069 -0.156 19516 2725 1 7 . 1 1 557 557 LYS C C 557 178.774 178.774 178.813 -0.039 19516 2726 1 7 . 1 1 557 557 LYS CA C 557 59.270 59.270 58.759 0.511 19516 2727 1 7 . 1 1 557 557 LYS CB C 557 32.075 32.075 32.351 -0.276 19516 2728 1 7 . 1 1 557 557 LYS H H 557 7.670 7.670 7.425 0.245 19516 2729 1 7 . 1 1 558 558 LEU N N 558 120.582 120.582 121.838 -1.256 19516 2730 1 7 . 1 1 558 558 LEU HA H 558 3.704 3.704 4.303 -0.599 19516 2731 1 7 . 1 1 558 558 LEU C C 558 178.702 178.702 178.731 -0.029 19516 2732 1 7 . 1 1 558 558 LEU CA C 558 58.682 58.682 57.722 0.960 19516 2733 1 7 . 1 1 558 558 LEU CB C 558 42.744 42.744 41.629 1.115 19516 2734 1 7 . 1 1 558 558 LEU H H 558 8.166 8.166 8.145 0.021 19516 2735 1 7 . 1 1 559 559 GLN N N 559 115.514 115.514 116.883 -1.369 19516 2736 1 7 . 1 1 559 559 GLN HA H 559 3.869 3.869 4.012 -0.143 19516 2737 1 7 . 1 1 559 559 GLN C C 559 179.502 179.502 178.460 1.042 19516 2738 1 7 . 1 1 559 559 GLN CA C 559 59.568 59.568 58.613 0.955 19516 2739 1 7 . 1 1 559 559 GLN CB C 559 28.527 28.527 28.658 -0.131 19516 2740 1 7 . 1 1 559 559 GLN H H 559 8.441 8.441 8.299 0.142 19516 2741 1 7 . 1 1 560 560 SER N N 560 115.703 115.703 115.946 -0.243 19516 2742 1 7 . 1 1 560 560 SER HA H 560 4.310 4.310 4.182 0.128 19516 2743 1 7 . 1 1 560 560 SER C C 560 176.997 176.997 176.758 0.239 19516 2744 1 7 . 1 1 560 560 SER CA C 560 61.535 61.535 61.223 0.312 19516 2745 1 7 . 1 1 560 560 SER CB C 560 62.810 62.810 62.799 0.011 19516 2746 1 7 . 1 1 560 560 SER H H 560 7.883 7.883 7.551 0.332 19516 2747 1 7 . 1 1 561 561 TYR N N 561 121.470 121.470 121.975 -0.505 19516 2748 1 7 . 1 1 561 561 TYR HA H 561 4.667 4.667 4.270 0.397 19516 2749 1 7 . 1 1 561 561 TYR C C 561 178.019 178.019 177.558 0.461 19516 2750 1 7 . 1 1 561 561 TYR CA C 561 57.854 57.854 61.242 -3.388 19516 2751 1 7 . 1 1 561 561 TYR CB C 561 36.842 36.842 38.203 -1.361 19516 2752 1 7 . 1 1 561 561 TYR H H 561 7.856 7.856 7.550 0.306 19516 2753 1 7 . 1 1 562 562 LEU N N 562 117.382 117.382 115.079 2.303 19516 2754 1 7 . 1 1 562 562 LEU HA H 562 4.233 4.233 4.303 -0.070 19516 2755 1 7 . 1 1 562 562 LEU C C 562 178.086 178.086 176.510 1.576 19516 2756 1 7 . 1 1 562 562 LEU CA C 562 55.989 55.989 55.452 0.537 19516 2757 1 7 . 1 1 562 562 LEU CB C 562 41.606 41.606 42.545 -0.939 19516 2758 1 7 . 1 1 562 562 LEU H H 562 7.618 7.618 7.263 0.355 19516 2759 1 7 . 1 1 563 563 GLU N N 563 119.602 119.602 117.023 2.579 19516 2760 1 7 . 1 1 563 563 GLU HA H 563 4.313 4.313 4.657 -0.344 19516 2761 1 7 . 1 1 563 563 GLU C C 563 177.407 177.407 175.915 1.492 19516 2762 1 7 . 1 1 563 563 GLU CA C 563 57.577 57.577 55.029 2.547 19516 2763 1 7 . 1 1 563 563 GLU CB C 563 30.072 30.072 30.383 -0.311 19516 2764 1 7 . 1 1 563 563 GLU H H 563 7.724 7.724 7.918 -0.194 19516 2765 1 7 . 1 1 564 564 THR N N 564 112.400 112.400 114.986 -2.586 19516 2766 1 7 . 1 1 564 564 THR HA H 564 4.416 4.416 4.214 0.202 19516 2767 1 7 . 1 1 564 564 THR C C 564 174.998 174.998 174.788 0.210 19516 2768 1 7 . 1 1 564 564 THR CA C 564 62.021 62.021 62.748 -0.727 19516 2769 1 7 . 1 1 564 564 THR CB C 564 69.690 69.690 69.312 0.378 19516 2770 1 7 . 1 1 564 564 THR H H 564 8.019 8.019 8.169 -0.150 19516 2771 1 7 . 1 1 565 565 SER N N 565 117.680 117.680 120.939 -3.259 19516 2772 1 7 . 1 1 565 565 SER HA H 565 4.463 4.463 4.500 -0.037 19516 2773 1 7 . 1 1 565 565 SER C C 565 175.109 175.109 174.548 0.561 19516 2774 1 7 . 1 1 565 565 SER CA C 565 58.814 58.814 58.456 0.358 19516 2775 1 7 . 1 1 565 565 SER CB C 565 63.945 63.945 63.895 0.049 19516 2776 1 7 . 1 1 565 565 SER H H 565 8.136 8.136 8.369 -0.233 19516 2777 1 7 . 1 1 566 566 GLY N N 566 111.023 111.023 113.951 -2.928 19516 2778 1 7 . 1 1 566 566 GLY C C 566 174.384 174.384 174.992 -0.608 19516 2779 1 7 . 1 1 566 566 GLY CA C 566 45.575 45.575 45.784 -0.209 19516 2780 1 7 . 1 1 566 566 GLY H H 566 8.510 8.510 8.254 0.256 19516 2781 1 7 . 1 1 567 567 THR N N 567 113.077 113.077 114.741 -1.664 19516 2782 1 7 . 1 1 567 567 THR HA H 567 4.405 4.405 4.077 0.328 19516 2783 1 7 . 1 1 567 567 THR C C 567 173.995 173.995 175.493 -1.498 19516 2784 1 7 . 1 1 567 567 THR CA C 567 61.713 61.713 62.943 -1.230 19516 2785 1 7 . 1 1 567 567 THR CB C 567 70.013 70.013 68.998 1.015 19516 2786 1 7 . 1 1 567 567 THR H H 567 8.061 8.061 8.026 0.035 19516 2787 1 8 . 1 1 501 501 LYS N N 501 125.415 125.415 121.830 3.585 19516 2788 1 8 . 1 1 501 501 LYS HA H 501 4.007 4.007 4.262 -0.255 19516 2789 1 8 . 1 1 501 501 LYS C C 501 177.113 177.113 178.055 -0.942 19516 2790 1 8 . 1 1 501 501 LYS CA C 501 59.115 59.115 56.790 2.325 19516 2791 1 8 . 1 1 501 501 LYS CB C 501 32.793 32.793 32.661 0.132 19516 2792 1 8 . 1 1 501 501 LYS H H 501 8.677 8.677 8.527 0.150 19516 2793 1 8 . 1 1 502 502 ALA N N 502 120.718 120.718 123.151 -2.433 19516 2794 1 8 . 1 1 502 502 ALA HA H 502 4.240 4.240 4.060 0.180 19516 2795 1 8 . 1 1 502 502 ALA C C 502 180.345 180.345 179.071 1.274 19516 2796 1 8 . 1 1 502 502 ALA CA C 502 54.738 54.738 55.056 -0.318 19516 2797 1 8 . 1 1 502 502 ALA CB C 502 18.172 18.172 18.321 -0.149 19516 2798 1 8 . 1 1 502 502 ALA H H 502 8.382 8.382 8.189 0.193 19516 2799 1 8 . 1 1 503 503 TYR N N 503 120.200 120.200 119.461 0.739 19516 2800 1 8 . 1 1 503 503 TYR HA H 503 4.543 4.543 4.151 0.392 19516 2801 1 8 . 1 1 503 503 TYR C C 503 177.235 177.235 177.776 -0.541 19516 2802 1 8 . 1 1 503 503 TYR CA C 503 60.020 60.020 60.892 -0.872 19516 2803 1 8 . 1 1 503 503 TYR CB C 503 38.707 38.707 38.227 0.480 19516 2804 1 8 . 1 1 503 503 TYR H H 503 7.817 7.817 8.028 -0.211 19516 2805 1 8 . 1 1 504 504 LEU N N 504 120.133 120.133 118.607 1.526 19516 2806 1 8 . 1 1 504 504 LEU HA H 504 3.857 3.857 3.844 0.013 19516 2807 1 8 . 1 1 504 504 LEU C C 504 178.616 178.616 179.096 -0.480 19516 2808 1 8 . 1 1 504 504 LEU CA C 504 58.200 58.200 58.384 -0.184 19516 2809 1 8 . 1 1 504 504 LEU CB C 504 41.066 41.066 41.335 -0.269 19516 2810 1 8 . 1 1 504 504 LEU H H 504 8.175 8.175 8.175 0.000 19516 2811 1 8 . 1 1 505 505 ASP N N 505 117.709 117.709 118.420 -0.711 19516 2812 1 8 . 1 1 505 505 ASP HA H 505 4.307 4.307 4.279 0.028 19516 2813 1 8 . 1 1 505 505 ASP C C 505 179.849 179.849 178.552 1.297 19516 2814 1 8 . 1 1 505 505 ASP CA C 505 57.578 57.578 57.738 -0.160 19516 2815 1 8 . 1 1 505 505 ASP CB C 505 39.811 39.811 40.638 -0.827 19516 2816 1 8 . 1 1 505 505 ASP H H 505 8.308 8.308 8.317 -0.009 19516 2817 1 8 . 1 1 506 506 GLU N N 506 121.244 121.244 117.834 3.410 19516 2818 1 8 . 1 1 506 506 GLU HA H 506 4.038 4.038 4.153 -0.115 19516 2819 1 8 . 1 1 506 506 GLU C C 506 179.957 179.957 178.993 0.964 19516 2820 1 8 . 1 1 506 506 GLU CA C 506 59.786 59.786 58.626 1.160 19516 2821 1 8 . 1 1 506 506 GLU CB C 506 29.644 29.644 29.438 0.206 19516 2822 1 8 . 1 1 506 506 GLU H H 506 7.657 7.657 8.146 -0.489 19516 2823 1 8 . 1 1 507 507 LEU N N 507 121.550 121.550 119.852 1.698 19516 2824 1 8 . 1 1 507 507 LEU HA H 507 3.860 3.860 4.254 -0.394 19516 2825 1 8 . 1 1 507 507 LEU C C 507 178.973 178.973 178.934 0.039 19516 2826 1 8 . 1 1 507 507 LEU CA C 507 57.925 57.925 57.286 0.639 19516 2827 1 8 . 1 1 507 507 LEU CB C 507 41.882 41.882 41.907 -0.025 19516 2828 1 8 . 1 1 507 507 LEU H H 507 8.255 8.255 8.072 0.183 19516 2829 1 8 . 1 1 508 508 VAL N N 508 121.174 121.174 121.263 -0.089 19516 2830 1 8 . 1 1 508 508 VAL HA H 508 3.522 3.522 3.484 0.038 19516 2831 1 8 . 1 1 508 508 VAL C C 508 178.831 178.831 177.961 0.870 19516 2832 1 8 . 1 1 508 508 VAL CA C 508 67.098 67.098 67.875 -0.777 19516 2833 1 8 . 1 1 508 508 VAL CB C 508 31.988 31.988 31.504 0.484 19516 2834 1 8 . 1 1 508 508 VAL H H 508 8.679 8.679 8.704 -0.025 19516 2835 1 8 . 1 1 509 509 GLU N N 509 120.516 120.516 118.828 1.688 19516 2836 1 8 . 1 1 509 509 GLU HA H 509 4.286 4.286 3.939 0.347 19516 2837 1 8 . 1 1 509 509 GLU C C 509 178.354 178.354 178.959 -0.605 19516 2838 1 8 . 1 1 509 509 GLU CA C 509 58.837 58.837 59.681 -0.844 19516 2839 1 8 . 1 1 509 509 GLU CB C 509 28.859 28.859 29.490 -0.631 19516 2840 1 8 . 1 1 509 509 GLU H H 509 7.534 7.534 8.056 -0.522 19516 2841 1 8 . 1 1 510 510 LEU N N 510 121.442 121.442 120.122 1.320 19516 2842 1 8 . 1 1 510 510 LEU HA H 510 4.141 4.141 4.006 0.135 19516 2843 1 8 . 1 1 510 510 LEU C C 510 177.961 177.961 178.523 -0.562 19516 2844 1 8 . 1 1 510 510 LEU CA C 510 57.722 57.722 57.926 -0.204 19516 2845 1 8 . 1 1 510 510 LEU CB C 510 41.776 41.776 41.886 -0.111 19516 2846 1 8 . 1 1 510 510 LEU H H 510 8.018 8.018 7.578 0.440 19516 2847 1 8 . 1 1 511 511 HIS N N 511 119.858 119.858 119.029 0.829 19516 2848 1 8 . 1 1 511 511 HIS HA H 511 3.708 3.708 4.045 -0.337 19516 2849 1 8 . 1 1 511 511 HIS C C 511 176.325 176.325 177.043 -0.718 19516 2850 1 8 . 1 1 511 511 HIS CA C 511 62.252 62.252 60.627 1.625 19516 2851 1 8 . 1 1 511 511 HIS CB C 511 31.459 31.459 29.855 1.604 19516 2852 1 8 . 1 1 511 511 HIS H H 511 9.028 9.028 8.946 0.082 19516 2853 1 8 . 1 1 512 512 ARG N N 512 117.523 117.523 119.622 -2.099 19516 2854 1 8 . 1 1 512 512 ARG HA H 512 3.859 3.859 3.880 -0.021 19516 2855 1 8 . 1 1 512 512 ARG C C 512 179.801 179.801 178.658 1.143 19516 2856 1 8 . 1 1 512 512 ARG CA C 512 59.584 59.584 58.848 0.736 19516 2857 1 8 . 1 1 512 512 ARG CB C 512 30.154 30.154 29.573 0.581 19516 2858 1 8 . 1 1 512 512 ARG H H 512 7.942 7.942 8.753 -0.811 19516 2859 1 8 . 1 1 513 513 ARG N N 513 117.870 117.870 119.662 -1.792 19516 2860 1 8 . 1 1 513 513 ARG HA H 513 4.041 4.041 4.055 -0.014 19516 2861 1 8 . 1 1 513 513 ARG C C 513 179.852 179.852 178.889 0.963 19516 2862 1 8 . 1 1 513 513 ARG CA C 513 58.766 58.766 59.270 -0.504 19516 2863 1 8 . 1 1 513 513 ARG CB C 513 30.582 30.582 29.839 0.743 19516 2864 1 8 . 1 1 513 513 ARG H H 513 7.845 7.845 8.014 -0.169 19516 2865 1 8 . 1 1 514 514 LEU N N 514 119.343 119.343 119.434 -0.091 19516 2866 1 8 . 1 1 514 514 LEU HA H 514 4.031 4.031 3.954 0.077 19516 2867 1 8 . 1 1 514 514 LEU C C 514 178.922 178.922 178.174 0.748 19516 2868 1 8 . 1 1 514 514 LEU CA C 514 57.671 57.671 57.620 0.051 19516 2869 1 8 . 1 1 514 514 LEU CB C 514 41.926 41.926 42.040 -0.114 19516 2870 1 8 . 1 1 514 514 LEU H H 514 8.753 8.753 8.193 0.560 19516 2871 1 8 . 1 1 515 515 MET N N 515 115.167 115.167 115.663 -0.496 19516 2872 1 8 . 1 1 515 515 MET HA H 515 4.397 4.397 4.076 0.321 19516 2873 1 8 . 1 1 515 515 MET C C 515 177.921 177.921 177.459 0.462 19516 2874 1 8 . 1 1 515 515 MET CA C 515 56.895 56.895 57.373 -0.478 19516 2875 1 8 . 1 1 515 515 MET CB C 515 31.659 31.659 32.940 -1.281 19516 2876 1 8 . 1 1 515 515 MET H H 515 7.810 7.810 8.254 -0.444 19516 2877 1 8 . 1 1 516 516 THR N N 516 106.551 106.551 108.908 -2.357 19516 2878 1 8 . 1 1 516 516 THR HA H 516 4.441 4.441 4.266 0.175 19516 2879 1 8 . 1 1 516 516 THR C C 516 174.390 174.390 175.618 -1.228 19516 2880 1 8 . 1 1 516 516 THR CA C 516 61.133 61.133 62.599 -1.466 19516 2881 1 8 . 1 1 516 516 THR CB C 516 69.787 69.787 69.764 0.023 19516 2882 1 8 . 1 1 516 516 THR H H 516 7.269 7.269 7.538 -0.269 19516 2883 1 8 . 1 1 517 517 LEU N N 517 123.805 123.805 123.754 0.051 19516 2884 1 8 . 1 1 517 517 LEU HA H 517 4.283 4.283 4.142 0.141 19516 2885 1 8 . 1 1 517 517 LEU C C 517 177.241 177.241 176.209 1.032 19516 2886 1 8 . 1 1 517 517 LEU CA C 517 56.137 56.137 56.107 0.030 19516 2887 1 8 . 1 1 517 517 LEU CB C 517 42.974 42.974 42.535 0.439 19516 2888 1 8 . 1 1 517 517 LEU H H 517 7.036 7.036 7.698 -0.662 19516 2889 1 8 . 1 1 518 518 ARG N N 518 122.669 122.669 121.677 0.992 19516 2890 1 8 . 1 1 518 518 ARG HA H 518 4.598 4.598 4.380 0.218 19516 2891 1 8 . 1 1 518 518 ARG C C 518 175.915 175.915 175.200 0.715 19516 2892 1 8 . 1 1 518 518 ARG CA C 518 54.831 54.831 55.107 -0.276 19516 2893 1 8 . 1 1 518 518 ARG CB C 518 32.442 32.442 30.722 1.720 19516 2894 1 8 . 1 1 518 518 ARG H H 518 9.040 9.040 8.362 0.678 19516 2895 1 8 . 1 1 519 519 GLU N N 519 121.385 121.385 120.666 0.719 19516 2896 1 8 . 1 1 519 519 GLU HA H 519 4.295 4.295 3.973 0.322 19516 2897 1 8 . 1 1 519 519 GLU C C 519 177.016 177.016 176.465 0.551 19516 2898 1 8 . 1 1 519 519 GLU CA C 519 57.380 57.380 56.867 0.513 19516 2899 1 8 . 1 1 519 519 GLU CB C 519 30.017 30.017 29.074 0.943 19516 2900 1 8 . 1 1 519 519 GLU H H 519 7.172 7.172 7.948 -0.776 19516 2901 1 8 . 1 1 520 520 ARG N N 520 128.171 128.171 126.753 1.418 19516 2902 1 8 . 1 1 520 520 ARG HA H 520 3.811 3.811 3.983 -0.172 19516 2903 1 8 . 1 1 520 520 ARG C C 520 177.930 177.930 177.822 0.108 19516 2904 1 8 . 1 1 520 520 ARG CA C 520 60.867 60.867 59.266 1.601 19516 2905 1 8 . 1 1 520 520 ARG CB C 520 30.187 30.187 30.379 -0.192 19516 2906 1 8 . 1 1 520 520 ARG H H 520 8.918 8.918 8.835 0.083 19516 2907 1 8 . 1 1 521 521 HIS N N 521 116.808 116.808 114.733 2.075 19516 2908 1 8 . 1 1 521 521 HIS HA H 521 4.402 4.402 4.719 -0.317 19516 2909 1 8 . 1 1 521 521 HIS C C 521 177.637 177.637 177.229 0.408 19516 2910 1 8 . 1 1 521 521 HIS CA C 521 59.645 59.645 57.521 2.124 19516 2911 1 8 . 1 1 521 521 HIS CB C 521 28.425 28.425 29.014 -0.589 19516 2912 1 8 . 1 1 521 521 HIS H H 521 9.073 9.073 7.915 1.158 19516 2913 1 8 . 1 1 522 522 ILE N N 522 119.592 119.592 121.249 -1.657 19516 2914 1 8 . 1 1 522 522 ILE HA H 522 3.896 3.896 3.831 0.065 19516 2915 1 8 . 1 1 522 522 ILE C C 522 177.866 177.866 177.246 0.620 19516 2916 1 8 . 1 1 522 522 ILE CA C 522 63.397 63.397 61.919 1.478 19516 2917 1 8 . 1 1 522 522 ILE CB C 522 37.650 37.650 37.671 -0.021 19516 2918 1 8 . 1 1 522 522 ILE H H 522 7.088 7.088 6.720 0.368 19516 2919 1 8 . 1 1 523 523 LEU N N 523 119.719 119.719 119.588 0.131 19516 2920 1 8 . 1 1 523 523 LEU HA H 523 3.819 3.819 3.721 0.098 19516 2921 1 8 . 1 1 523 523 LEU C C 523 178.379 178.379 179.041 -0.662 19516 2922 1 8 . 1 1 523 523 LEU CA C 523 58.386 58.386 58.560 -0.174 19516 2923 1 8 . 1 1 523 523 LEU CB C 523 41.318 41.318 41.237 0.081 19516 2924 1 8 . 1 1 523 523 LEU H H 523 7.905 7.905 8.034 -0.129 19516 2925 1 8 . 1 1 524 524 GLN N N 524 116.700 116.700 116.626 0.074 19516 2926 1 8 . 1 1 524 524 GLN HA H 524 3.552 3.552 3.894 -0.342 19516 2927 1 8 . 1 1 524 524 GLN C C 524 177.441 177.441 178.228 -0.787 19516 2928 1 8 . 1 1 524 524 GLN CA C 524 58.259 58.259 58.671 -0.412 19516 2929 1 8 . 1 1 524 524 GLN CB C 524 29.097 29.097 28.287 0.810 19516 2930 1 8 . 1 1 524 524 GLN H H 524 8.265 8.265 7.657 0.608 19516 2931 1 8 . 1 1 525 525 GLN N N 525 117.608 117.608 118.970 -1.362 19516 2932 1 8 . 1 1 525 525 GLN HA H 525 3.777 3.777 3.795 -0.018 19516 2933 1 8 . 1 1 525 525 GLN C C 525 179.278 179.278 178.276 1.002 19516 2934 1 8 . 1 1 525 525 GLN CA C 525 58.986 58.986 58.218 0.768 19516 2935 1 8 . 1 1 525 525 GLN CB C 525 28.545 28.545 27.860 0.684 19516 2936 1 8 . 1 1 525 525 GLN H H 525 7.300 7.300 7.450 -0.150 19516 2937 1 8 . 1 1 526 526 ILE N N 526 119.883 119.883 120.195 -0.312 19516 2938 1 8 . 1 1 526 526 ILE HA H 526 3.434 3.434 3.322 0.112 19516 2939 1 8 . 1 1 526 526 ILE C C 526 176.638 176.638 177.746 -1.108 19516 2940 1 8 . 1 1 526 526 ILE CA C 526 66.116 66.116 65.242 0.874 19516 2941 1 8 . 1 1 526 526 ILE CB C 526 37.581 37.581 37.594 -0.013 19516 2942 1 8 . 1 1 526 526 ILE H H 526 8.039 8.039 7.979 0.060 19516 2943 1 8 . 1 1 527 527 VAL N N 527 119.535 119.535 118.900 0.635 19516 2944 1 8 . 1 1 527 527 VAL HA H 527 2.791 2.791 2.953 -0.162 19516 2945 1 8 . 1 1 527 527 VAL C C 527 176.957 176.957 177.412 -0.455 19516 2946 1 8 . 1 1 527 527 VAL CA C 527 66.371 66.371 66.645 -0.274 19516 2947 1 8 . 1 1 527 527 VAL CB C 527 30.623 30.623 30.926 -0.303 19516 2948 1 8 . 1 1 527 527 VAL H H 527 8.052 8.052 7.234 0.818 19516 2949 1 8 . 1 1 528 528 ASN N N 528 117.957 117.957 115.670 2.287 19516 2950 1 8 . 1 1 528 528 ASN HA H 528 4.138 4.138 4.272 -0.135 19516 2951 1 8 . 1 1 528 528 ASN C C 528 178.148 178.148 177.722 0.426 19516 2952 1 8 . 1 1 528 528 ASN CA C 528 55.696 55.696 55.159 0.537 19516 2953 1 8 . 1 1 528 528 ASN CB C 528 37.192 37.192 38.281 -1.089 19516 2954 1 8 . 1 1 528 528 ASN H H 528 8.172 8.172 7.622 0.550 19516 2955 1 8 . 1 1 529 529 LEU N N 529 120.654 120.654 121.529 -0.875 19516 2956 1 8 . 1 1 529 529 LEU HA H 529 4.166 4.166 4.124 0.042 19516 2957 1 8 . 1 1 529 529 LEU C C 529 178.908 178.908 177.950 0.958 19516 2958 1 8 . 1 1 529 529 LEU CA C 529 57.870 57.870 57.495 0.375 19516 2959 1 8 . 1 1 529 529 LEU CB C 529 42.512 42.512 41.517 0.995 19516 2960 1 8 . 1 1 529 529 LEU H H 529 7.666 7.666 7.761 -0.095 19516 2961 1 8 . 1 1 530 530 ILE N N 530 117.213 117.213 116.494 0.719 19516 2962 1 8 . 1 1 530 530 ILE HA H 530 3.677 3.677 3.695 -0.018 19516 2963 1 8 . 1 1 530 530 ILE C C 530 180.762 180.762 177.866 2.896 19516 2964 1 8 . 1 1 530 530 ILE CA C 530 61.592 61.592 64.939 -3.347 19516 2965 1 8 . 1 1 530 530 ILE CB C 530 34.726 34.726 37.526 -2.800 19516 2966 1 8 . 1 1 530 530 ILE H H 530 8.543 8.543 7.874 0.669 19516 2967 1 8 . 1 1 531 531 GLU N N 531 124.050 124.050 119.989 4.061 19516 2968 1 8 . 1 1 531 531 GLU HA H 531 3.940 3.940 2.748 1.192 19516 2969 1 8 . 1 1 531 531 GLU C C 531 178.698 178.698 178.448 0.250 19516 2970 1 8 . 1 1 531 531 GLU CA C 531 59.763 59.763 59.363 0.400 19516 2971 1 8 . 1 1 531 531 GLU CB C 531 27.691 27.691 28.937 -1.246 19516 2972 1 8 . 1 1 531 531 GLU H H 531 9.276 9.276 8.226 1.050 19516 2973 1 8 . 1 1 532 532 GLU N N 532 116.396 116.396 116.881 -0.485 19516 2974 1 8 . 1 1 532 532 GLU HA H 532 3.995 3.995 4.106 -0.111 19516 2975 1 8 . 1 1 532 532 GLU C C 532 178.030 178.030 178.617 -0.587 19516 2976 1 8 . 1 1 532 532 GLU CA C 532 58.903 58.903 58.585 0.318 19516 2977 1 8 . 1 1 532 532 GLU CB C 532 29.666 29.666 29.409 0.257 19516 2978 1 8 . 1 1 532 532 GLU H H 532 7.003 7.003 7.656 -0.653 19516 2979 1 8 . 1 1 533 533 THR N N 533 107.227 107.227 109.378 -2.151 19516 2980 1 8 . 1 1 533 533 THR HA H 533 4.328 4.328 4.239 0.089 19516 2981 1 8 . 1 1 533 533 THR C C 533 176.559 176.559 176.344 0.215 19516 2982 1 8 . 1 1 533 533 THR CA C 533 63.112 63.112 63.364 -0.252 19516 2983 1 8 . 1 1 533 533 THR CB C 533 71.513 71.513 69.871 1.641 19516 2984 1 8 . 1 1 533 533 THR H H 533 7.611 7.611 8.083 -0.472 19516 2985 1 8 . 1 1 534 534 GLY N N 534 106.448 106.448 109.675 -3.227 19516 2986 1 8 . 1 1 534 534 GLY C C 534 174.199 174.199 175.760 -1.561 19516 2987 1 8 . 1 1 534 534 GLY CA C 534 45.527 45.527 45.050 0.477 19516 2988 1 8 . 1 1 534 534 GLY H H 534 7.618 7.618 8.284 -0.666 19516 2989 1 8 . 1 1 535 535 HIS N N 535 121.292 121.292 123.937 -2.645 19516 2990 1 8 . 1 1 535 535 HIS HA H 535 4.909 4.909 4.651 0.258 19516 2991 1 8 . 1 1 535 535 HIS C C 535 172.641 172.641 173.985 -1.344 19516 2992 1 8 . 1 1 535 535 HIS CA C 535 53.806 53.806 55.921 -2.115 19516 2993 1 8 . 1 1 535 535 HIS CB C 535 27.013 27.013 28.177 -1.164 19516 2994 1 8 . 1 1 535 535 HIS H H 535 8.430 8.430 8.252 0.178 19516 2995 1 8 . 1 1 536 536 PHE N N 536 115.908 115.908 116.876 -0.968 19516 2996 1 8 . 1 1 536 536 PHE HA H 536 5.282 5.282 4.876 0.406 19516 2997 1 8 . 1 1 536 536 PHE C C 536 173.438 173.438 173.518 -0.080 19516 2998 1 8 . 1 1 536 536 PHE CA C 536 55.736 55.736 55.785 -0.049 19516 2999 1 8 . 1 1 536 536 PHE CB C 536 42.099 42.099 41.484 0.615 19516 3000 1 8 . 1 1 536 536 PHE H H 536 7.173 7.173 7.902 -0.729 19516 3001 1 8 . 1 1 537 537 HIS N N 537 117.767 117.767 120.448 -2.681 19516 3002 1 8 . 1 1 537 537 HIS HA H 537 4.667 4.667 4.631 0.036 19516 3003 1 8 . 1 1 537 537 HIS C C 537 172.182 172.182 173.227 -1.045 19516 3004 1 8 . 1 1 537 537 HIS CA C 537 55.264 55.264 55.594 -0.330 19516 3005 1 8 . 1 1 537 537 HIS CB C 537 32.118 32.118 33.710 -1.592 19516 3006 1 8 . 1 1 537 537 HIS H H 537 9.185 9.185 8.309 0.876 19516 3007 1 8 . 1 1 538 538 ILE N N 538 123.861 123.861 126.526 -2.665 19516 3008 1 8 . 1 1 538 538 ILE HA H 538 4.986 4.986 4.603 0.383 19516 3009 1 8 . 1 1 538 538 ILE C C 538 176.686 176.686 175.969 0.717 19516 3010 1 8 . 1 1 538 538 ILE CA C 538 60.271 60.271 60.296 -0.025 19516 3011 1 8 . 1 1 538 538 ILE CB C 538 39.400 39.400 39.319 0.081 19516 3012 1 8 . 1 1 538 538 ILE H H 538 8.649 8.649 8.014 0.635 19516 3013 1 8 . 1 1 539 539 THR N N 539 119.438 119.438 119.104 0.334 19516 3014 1 8 . 1 1 539 539 THR HA H 539 4.726 4.726 4.553 0.173 19516 3015 1 8 . 1 1 539 539 THR C C 539 173.788 173.788 176.195 -2.407 19516 3016 1 8 . 1 1 539 539 THR CA C 539 60.256 60.256 61.180 -0.924 19516 3017 1 8 . 1 1 539 539 THR CB C 539 70.391 70.391 69.938 0.453 19516 3018 1 8 . 1 1 539 539 THR H H 539 9.118 9.118 8.146 0.972 19516 3019 1 8 . 1 1 540 540 ASN N N 540 114.191 114.191 119.635 -5.444 19516 3020 1 8 . 1 1 540 540 ASN HA H 540 4.542 4.542 4.526 0.016 19516 3021 1 8 . 1 1 540 540 ASN C C 540 176.815 176.815 175.690 1.125 19516 3022 1 8 . 1 1 540 540 ASN CA C 540 56.202 56.202 55.367 0.835 19516 3023 1 8 . 1 1 540 540 ASN CB C 540 38.371 38.371 38.518 -0.147 19516 3024 1 8 . 1 1 540 540 ASN H H 540 8.569 8.569 8.787 -0.218 19516 3025 1 8 . 1 1 541 541 THR N N 541 102.711 102.711 111.134 -8.423 19516 3026 1 8 . 1 1 541 541 THR HA H 541 4.688 4.688 4.594 0.094 19516 3027 1 8 . 1 1 541 541 THR C C 541 175.793 175.793 173.289 2.504 19516 3028 1 8 . 1 1 541 541 THR CA C 541 61.897 61.897 61.620 0.277 19516 3029 1 8 . 1 1 541 541 THR CB C 541 71.614 71.614 68.501 3.113 19516 3030 1 8 . 1 1 541 541 THR H H 541 7.913 7.913 8.323 -0.410 19516 3031 1 8 . 1 1 542 542 THR N N 542 115.756 115.756 115.861 -0.105 19516 3032 1 8 . 1 1 542 542 THR HA H 542 5.196 5.196 4.487 0.709 19516 3033 1 8 . 1 1 542 542 THR C C 542 170.174 170.174 172.243 -2.069 19516 3034 1 8 . 1 1 542 542 THR CA C 542 61.241 61.241 61.863 -0.622 19516 3035 1 8 . 1 1 542 542 THR CB C 542 72.559 72.559 70.646 1.913 19516 3036 1 8 . 1 1 542 542 THR H H 542 8.164 8.164 8.175 -0.011 19516 3037 1 8 . 1 1 543 543 PHE N N 543 122.724 122.724 123.389 -0.665 19516 3038 1 8 . 1 1 543 543 PHE HA H 543 4.754 4.754 4.870 -0.116 19516 3039 1 8 . 1 1 543 543 PHE C C 543 173.268 173.268 173.761 -0.493 19516 3040 1 8 . 1 1 543 543 PHE CA C 543 57.809 57.809 57.319 0.490 19516 3041 1 8 . 1 1 543 543 PHE CB C 543 41.077 41.077 40.602 0.475 19516 3042 1 8 . 1 1 543 543 PHE H H 543 9.363 9.363 8.696 0.667 19516 3043 1 8 . 1 1 544 544 ASP N N 544 128.063 128.063 128.493 -0.430 19516 3044 1 8 . 1 1 544 544 ASP HA H 544 6.057 6.057 5.057 1.000 19516 3045 1 8 . 1 1 544 544 ASP C C 544 175.674 175.674 174.195 1.479 19516 3046 1 8 . 1 1 544 544 ASP CA C 544 52.913 52.913 53.292 -0.379 19516 3047 1 8 . 1 1 544 544 ASP CB C 544 42.879 42.879 43.171 -0.292 19516 3048 1 8 . 1 1 544 544 ASP H H 544 8.751 8.751 8.015 0.736 19516 3049 1 8 . 1 1 545 545 PHE N N 545 114.137 114.137 117.097 -2.960 19516 3050 1 8 . 1 1 545 545 PHE HA H 545 4.925 4.925 4.792 0.133 19516 3051 1 8 . 1 1 545 545 PHE C C 545 171.897 171.897 173.448 -1.551 19516 3052 1 8 . 1 1 545 545 PHE CA C 545 56.380 56.380 56.714 -0.334 19516 3053 1 8 . 1 1 545 545 PHE CB C 545 41.371 41.371 41.311 0.060 19516 3054 1 8 . 1 1 545 545 PHE H H 545 8.662 8.662 8.116 0.546 19516 3055 1 8 . 1 1 546 546 ASP N N 546 121.001 121.001 123.601 -2.600 19516 3056 1 8 . 1 1 546 546 ASP HA H 546 5.019 5.019 4.820 0.199 19516 3057 1 8 . 1 1 546 546 ASP C C 546 178.950 178.950 176.748 2.202 19516 3058 1 8 . 1 1 546 546 ASP CA C 546 52.045 52.045 53.339 -1.294 19516 3059 1 8 . 1 1 546 546 ASP CB C 546 43.129 43.129 42.914 0.215 19516 3060 1 8 . 1 1 546 546 ASP H H 546 9.219 9.219 8.723 0.496 19516 3061 1 8 . 1 1 547 547 LEU N N 547 126.156 126.156 122.560 3.596 19516 3062 1 8 . 1 1 547 547 LEU HA H 547 4.104 4.104 4.438 -0.334 19516 3063 1 8 . 1 1 547 547 LEU C C 547 178.679 178.679 178.449 0.230 19516 3064 1 8 . 1 1 547 547 LEU CA C 547 58.272 58.272 56.997 1.275 19516 3065 1 8 . 1 1 547 547 LEU CB C 547 43.101 43.101 41.699 1.402 19516 3066 1 8 . 1 1 547 547 LEU H H 547 8.623 8.623 8.653 -0.030 19516 3067 1 8 . 1 1 548 548 CYS N N 548 113.743 113.743 116.488 -2.745 19516 3068 1 8 . 1 1 548 548 CYS HA H 548 4.021 4.021 4.332 -0.311 19516 3069 1 8 . 1 1 548 548 CYS C C 548 174.884 174.884 175.154 -0.270 19516 3070 1 8 . 1 1 548 548 CYS CA C 548 61.823 61.823 59.457 2.366 19516 3071 1 8 . 1 1 548 548 CYS CB C 548 27.228 27.228 26.094 1.134 19516 3072 1 8 . 1 1 548 548 CYS H H 548 8.820 8.820 8.244 0.576 19516 3073 1 8 . 1 1 549 549 SER N N 549 113.613 113.613 115.564 -1.951 19516 3074 1 8 . 1 1 549 549 SER HA H 549 4.456 4.456 4.612 -0.156 19516 3075 1 8 . 1 1 549 549 SER C C 549 173.519 173.519 174.222 -0.703 19516 3076 1 8 . 1 1 549 549 SER CA C 549 58.515 58.515 58.461 0.054 19516 3077 1 8 . 1 1 549 549 SER CB C 549 64.459 64.459 63.247 1.212 19516 3078 1 8 . 1 1 549 549 SER H H 549 7.720 7.720 7.617 0.103 19516 3079 1 8 . 1 1 550 550 LEU N N 550 118.126 118.126 122.589 -4.463 19516 3080 1 8 . 1 1 550 550 LEU HA H 550 4.471 4.471 4.372 0.099 19516 3081 1 8 . 1 1 550 550 LEU C C 550 176.903 176.903 175.851 1.052 19516 3082 1 8 . 1 1 550 550 LEU CA C 550 53.498 53.498 54.847 -1.349 19516 3083 1 8 . 1 1 550 550 LEU CB C 550 43.619 43.619 43.321 0.298 19516 3084 1 8 . 1 1 550 550 LEU H H 550 6.779 6.779 7.189 -0.410 19516 3085 1 8 . 1 1 551 551 ASP N N 551 121.893 121.893 120.253 1.640 19516 3086 1 8 . 1 1 551 551 ASP HA H 551 4.665 4.665 4.782 -0.117 19516 3087 1 8 . 1 1 551 551 ASP C C 551 176.382 176.382 176.751 -0.369 19516 3088 1 8 . 1 1 551 551 ASP CA C 551 53.535 53.535 53.340 0.195 19516 3089 1 8 . 1 1 551 551 ASP CB C 551 42.051 42.051 42.574 -0.523 19516 3090 1 8 . 1 1 551 551 ASP H H 551 9.082 9.082 8.170 0.912 19516 3091 1 8 . 1 1 552 552 LYS N N 552 121.414 121.414 123.618 -2.204 19516 3092 1 8 . 1 1 552 552 LYS HA H 552 4.149 4.149 3.985 0.164 19516 3093 1 8 . 1 1 552 552 LYS C C 552 179.021 179.021 178.569 0.452 19516 3094 1 8 . 1 1 552 552 LYS CA C 552 60.233 60.233 60.731 -0.498 19516 3095 1 8 . 1 1 552 552 LYS CB C 552 32.495 32.495 32.000 0.495 19516 3096 1 8 . 1 1 552 552 LYS H H 552 8.601 8.601 8.856 -0.255 19516 3097 1 8 . 1 1 553 553 THR N N 553 113.449 113.449 112.899 0.550 19516 3098 1 8 . 1 1 553 553 THR HA H 553 3.910 3.910 4.170 -0.260 19516 3099 1 8 . 1 1 553 553 THR C C 553 177.036 177.036 176.580 0.456 19516 3100 1 8 . 1 1 553 553 THR CA C 553 66.065 66.065 65.246 0.819 19516 3101 1 8 . 1 1 553 553 THR CB C 553 68.436 68.436 68.458 -0.022 19516 3102 1 8 . 1 1 553 553 THR H H 553 8.244 8.244 8.239 0.005 19516 3103 1 8 . 1 1 554 554 THR N N 554 120.799 120.799 118.598 2.201 19516 3104 1 8 . 1 1 554 554 THR HA H 554 3.828 3.828 4.240 -0.412 19516 3105 1 8 . 1 1 554 554 THR C C 554 176.156 176.156 175.848 0.308 19516 3106 1 8 . 1 1 554 554 THR CA C 554 66.779 66.779 65.920 0.859 19516 3107 1 8 . 1 1 554 554 THR CB C 554 67.976 67.976 68.596 -0.620 19516 3108 1 8 . 1 1 554 554 THR H H 554 7.862 7.862 7.985 -0.123 19516 3109 1 8 . 1 1 555 555 VAL N N 555 122.618 122.618 122.505 0.113 19516 3110 1 8 . 1 1 555 555 VAL HA H 555 3.366 3.366 3.654 -0.288 19516 3111 1 8 . 1 1 555 555 VAL C C 555 177.296 177.296 177.471 -0.175 19516 3112 1 8 . 1 1 555 555 VAL CA C 555 68.041 68.041 66.985 1.056 19516 3113 1 8 . 1 1 555 555 VAL CB C 555 31.715 31.715 31.547 0.168 19516 3114 1 8 . 1 1 555 555 VAL H H 555 7.970 7.970 8.801 -0.831 19516 3115 1 8 . 1 1 556 556 ARG N N 556 118.700 118.700 117.871 0.829 19516 3116 1 8 . 1 1 556 556 ARG HA H 556 4.420 4.420 4.111 0.309 19516 3117 1 8 . 1 1 556 556 ARG C C 556 180.076 180.076 178.145 1.931 19516 3118 1 8 . 1 1 556 556 ARG CA C 556 58.628 58.628 57.471 1.157 19516 3119 1 8 . 1 1 556 556 ARG CB C 556 29.147 29.147 29.481 -0.334 19516 3120 1 8 . 1 1 556 556 ARG H H 556 8.342 8.342 7.744 0.598 19516 3121 1 8 . 1 1 557 557 LYS N N 557 120.947 120.947 119.667 1.280 19516 3122 1 8 . 1 1 557 557 LYS HA H 557 3.913 3.913 4.111 -0.198 19516 3123 1 8 . 1 1 557 557 LYS C C 557 178.774 178.774 178.983 -0.209 19516 3124 1 8 . 1 1 557 557 LYS CA C 557 59.270 59.270 58.940 0.330 19516 3125 1 8 . 1 1 557 557 LYS CB C 557 32.075 32.075 32.336 -0.261 19516 3126 1 8 . 1 1 557 557 LYS H H 557 7.670 7.670 7.459 0.211 19516 3127 1 8 . 1 1 558 558 LEU N N 558 120.582 120.582 121.110 -0.528 19516 3128 1 8 . 1 1 558 558 LEU HA H 558 3.704 3.704 4.225 -0.521 19516 3129 1 8 . 1 1 558 558 LEU C C 558 178.702 178.702 179.033 -0.331 19516 3130 1 8 . 1 1 558 558 LEU CA C 558 58.682 58.682 57.748 0.934 19516 3131 1 8 . 1 1 558 558 LEU CB C 558 42.744 42.744 42.126 0.618 19516 3132 1 8 . 1 1 558 558 LEU H H 558 8.166 8.166 7.840 0.326 19516 3133 1 8 . 1 1 559 559 GLN N N 559 115.514 115.514 117.901 -2.387 19516 3134 1 8 . 1 1 559 559 GLN HA H 559 3.869 3.869 3.924 -0.055 19516 3135 1 8 . 1 1 559 559 GLN C C 559 179.502 179.502 178.578 0.924 19516 3136 1 8 . 1 1 559 559 GLN CA C 559 59.568 59.568 59.008 0.560 19516 3137 1 8 . 1 1 559 559 GLN CB C 559 28.527 28.527 28.257 0.270 19516 3138 1 8 . 1 1 559 559 GLN H H 559 8.441 8.441 8.083 0.358 19516 3139 1 8 . 1 1 560 560 SER N N 560 115.703 115.703 115.814 -0.111 19516 3140 1 8 . 1 1 560 560 SER HA H 560 4.310 4.310 4.213 0.097 19516 3141 1 8 . 1 1 560 560 SER C C 560 176.997 176.997 176.023 0.974 19516 3142 1 8 . 1 1 560 560 SER CA C 560 61.535 61.535 61.226 0.309 19516 3143 1 8 . 1 1 560 560 SER CB C 560 62.810 62.810 62.672 0.138 19516 3144 1 8 . 1 1 560 560 SER H H 560 7.883 7.883 7.818 0.065 19516 3145 1 8 . 1 1 561 561 TYR N N 561 121.470 121.470 119.428 2.042 19516 3146 1 8 . 1 1 561 561 TYR HA H 561 4.667 4.667 4.271 0.396 19516 3147 1 8 . 1 1 561 561 TYR C C 561 178.019 178.019 176.441 1.578 19516 3148 1 8 . 1 1 561 561 TYR CA C 561 57.854 57.854 60.440 -2.586 19516 3149 1 8 . 1 1 561 561 TYR CB C 561 36.842 36.842 38.126 -1.284 19516 3150 1 8 . 1 1 561 561 TYR H H 561 7.856 7.856 7.747 0.109 19516 3151 1 8 . 1 1 562 562 LEU N N 562 117.382 117.382 116.727 0.655 19516 3152 1 8 . 1 1 562 562 LEU HA H 562 4.233 4.233 4.401 -0.168 19516 3153 1 8 . 1 1 562 562 LEU C C 562 178.086 178.086 177.649 0.437 19516 3154 1 8 . 1 1 562 562 LEU CA C 562 55.989 55.989 55.074 0.915 19516 3155 1 8 . 1 1 562 562 LEU CB C 562 41.606 41.606 42.995 -1.389 19516 3156 1 8 . 1 1 562 562 LEU H H 562 7.618 7.618 7.245 0.373 19516 3157 1 8 . 1 1 563 563 GLU N N 563 119.602 119.602 116.872 2.730 19516 3158 1 8 . 1 1 563 563 GLU HA H 563 4.313 4.313 4.036 0.277 19516 3159 1 8 . 1 1 563 563 GLU C C 563 177.407 177.407 175.884 1.523 19516 3160 1 8 . 1 1 563 563 GLU CA C 563 57.577 57.577 56.980 0.597 19516 3161 1 8 . 1 1 563 563 GLU CB C 563 30.072 30.072 28.851 1.222 19516 3162 1 8 . 1 1 563 563 GLU H H 563 7.724 7.724 7.913 -0.189 19516 3163 1 8 . 1 1 564 564 THR N N 564 112.400 112.400 108.324 4.076 19516 3164 1 8 . 1 1 564 564 THR HA H 564 4.416 4.416 3.965 0.451 19516 3165 1 8 . 1 1 564 564 THR C C 564 174.998 174.998 175.002 -0.004 19516 3166 1 8 . 1 1 564 564 THR CA C 564 62.021 62.021 63.327 -1.306 19516 3167 1 8 . 1 1 564 564 THR CB C 564 69.690 69.690 67.703 1.987 19516 3168 1 8 . 1 1 564 564 THR H H 564 8.019 8.019 8.408 -0.389 19516 3169 1 8 . 1 1 565 565 SER N N 565 117.680 117.680 119.717 -2.037 19516 3170 1 8 . 1 1 565 565 SER HA H 565 4.463 4.463 4.380 0.083 19516 3171 1 8 . 1 1 565 565 SER C C 565 175.109 175.109 175.376 -0.267 19516 3172 1 8 . 1 1 565 565 SER CA C 565 58.814 58.814 58.157 0.657 19516 3173 1 8 . 1 1 565 565 SER CB C 565 63.945 63.945 62.411 1.534 19516 3174 1 8 . 1 1 565 565 SER H H 565 8.136 8.136 8.454 -0.318 19516 3175 1 8 . 1 1 566 566 GLY N N 566 111.023 111.023 111.877 -0.854 19516 3176 1 8 . 1 1 566 566 GLY C C 566 174.384 174.384 173.979 0.405 19516 3177 1 8 . 1 1 566 566 GLY CA C 566 45.575 45.575 44.531 1.044 19516 3178 1 8 . 1 1 566 566 GLY H H 566 8.510 8.510 8.223 0.287 19516 3179 1 8 . 1 1 567 567 THR N N 567 113.077 113.077 113.305 -0.228 19516 3180 1 8 . 1 1 567 567 THR HA H 567 4.405 4.405 4.327 0.078 19516 3181 1 8 . 1 1 567 567 THR C C 567 173.995 173.995 174.001 -0.006 19516 3182 1 8 . 1 1 567 567 THR CA C 567 61.713 61.713 63.178 -1.465 19516 3183 1 8 . 1 1 567 567 THR CB C 567 70.013 70.013 68.884 1.129 19516 3184 1 8 . 1 1 567 567 THR H H 567 8.061 8.061 8.285 -0.224 19516 3185 1 9 . 1 1 501 501 LYS N N 501 125.415 125.415 119.743 5.672 19516 3186 1 9 . 1 1 501 501 LYS HA H 501 4.007 4.007 4.551 -0.544 19516 3187 1 9 . 1 1 501 501 LYS C C 501 177.113 177.113 178.057 -0.944 19516 3188 1 9 . 1 1 501 501 LYS CA C 501 59.115 59.115 56.517 2.598 19516 3189 1 9 . 1 1 501 501 LYS CB C 501 32.793 32.793 33.113 -0.320 19516 3190 1 9 . 1 1 501 501 LYS H H 501 8.677 8.677 8.485 0.192 19516 3191 1 9 . 1 1 502 502 ALA N N 502 120.718 120.718 124.344 -3.626 19516 3192 1 9 . 1 1 502 502 ALA HA H 502 4.240 4.240 4.123 0.117 19516 3193 1 9 . 1 1 502 502 ALA C C 502 180.345 180.345 178.729 1.616 19516 3194 1 9 . 1 1 502 502 ALA CA C 502 54.738 54.738 54.628 0.110 19516 3195 1 9 . 1 1 502 502 ALA CB C 502 18.172 18.172 18.162 0.010 19516 3196 1 9 . 1 1 502 502 ALA H H 502 8.382 8.382 8.374 0.008 19516 3197 1 9 . 1 1 503 503 TYR N N 503 120.200 120.200 119.568 0.632 19516 3198 1 9 . 1 1 503 503 TYR HA H 503 4.543 4.543 4.030 0.513 19516 3199 1 9 . 1 1 503 503 TYR C C 503 177.235 177.235 177.652 -0.417 19516 3200 1 9 . 1 1 503 503 TYR CA C 503 60.020 60.020 61.545 -1.525 19516 3201 1 9 . 1 1 503 503 TYR CB C 503 38.707 38.707 38.238 0.469 19516 3202 1 9 . 1 1 503 503 TYR H H 503 7.817 7.817 8.329 -0.512 19516 3203 1 9 . 1 1 504 504 LEU N N 504 120.133 120.133 118.001 2.132 19516 3204 1 9 . 1 1 504 504 LEU HA H 504 3.857 3.857 3.775 0.082 19516 3205 1 9 . 1 1 504 504 LEU C C 504 178.616 178.616 178.902 -0.286 19516 3206 1 9 . 1 1 504 504 LEU CA C 504 58.200 58.200 58.570 -0.370 19516 3207 1 9 . 1 1 504 504 LEU CB C 504 41.066 41.066 41.550 -0.484 19516 3208 1 9 . 1 1 504 504 LEU H H 504 8.175 8.175 8.040 0.135 19516 3209 1 9 . 1 1 505 505 ASP N N 505 117.709 117.709 118.352 -0.643 19516 3210 1 9 . 1 1 505 505 ASP HA H 505 4.307 4.307 4.187 0.120 19516 3211 1 9 . 1 1 505 505 ASP C C 505 179.849 179.849 178.486 1.363 19516 3212 1 9 . 1 1 505 505 ASP CA C 505 57.578 57.578 57.918 -0.340 19516 3213 1 9 . 1 1 505 505 ASP CB C 505 39.811 39.811 40.646 -0.835 19516 3214 1 9 . 1 1 505 505 ASP H H 505 8.308 8.308 7.851 0.457 19516 3215 1 9 . 1 1 506 506 GLU N N 506 121.244 121.244 118.114 3.130 19516 3216 1 9 . 1 1 506 506 GLU HA H 506 4.038 4.038 4.277 -0.239 19516 3217 1 9 . 1 1 506 506 GLU C C 506 179.957 179.957 179.214 0.743 19516 3218 1 9 . 1 1 506 506 GLU CA C 506 59.786 59.786 58.595 1.191 19516 3219 1 9 . 1 1 506 506 GLU CB C 506 29.644 29.644 29.217 0.427 19516 3220 1 9 . 1 1 506 506 GLU H H 506 7.657 7.657 8.027 -0.370 19516 3221 1 9 . 1 1 507 507 LEU N N 507 121.550 121.550 119.761 1.789 19516 3222 1 9 . 1 1 507 507 LEU HA H 507 3.860 3.860 4.065 -0.205 19516 3223 1 9 . 1 1 507 507 LEU C C 507 178.973 178.973 178.769 0.204 19516 3224 1 9 . 1 1 507 507 LEU CA C 507 57.925 57.925 57.294 0.631 19516 3225 1 9 . 1 1 507 507 LEU CB C 507 41.882 41.882 41.658 0.224 19516 3226 1 9 . 1 1 507 507 LEU H H 507 8.255 8.255 7.928 0.327 19516 3227 1 9 . 1 1 508 508 VAL N N 508 121.174 121.174 121.064 0.110 19516 3228 1 9 . 1 1 508 508 VAL HA H 508 3.522 3.522 3.449 0.073 19516 3229 1 9 . 1 1 508 508 VAL C C 508 178.831 178.831 178.019 0.812 19516 3230 1 9 . 1 1 508 508 VAL CA C 508 67.098 67.098 67.657 -0.559 19516 3231 1 9 . 1 1 508 508 VAL CB C 508 31.988 31.988 31.424 0.564 19516 3232 1 9 . 1 1 508 508 VAL H H 508 8.679 8.679 8.644 0.035 19516 3233 1 9 . 1 1 509 509 GLU N N 509 120.516 120.516 119.255 1.261 19516 3234 1 9 . 1 1 509 509 GLU HA H 509 4.286 4.286 3.898 0.388 19516 3235 1 9 . 1 1 509 509 GLU C C 509 178.354 178.354 179.319 -0.965 19516 3236 1 9 . 1 1 509 509 GLU CA C 509 58.837 58.837 59.671 -0.834 19516 3237 1 9 . 1 1 509 509 GLU CB C 509 28.859 28.859 29.373 -0.514 19516 3238 1 9 . 1 1 509 509 GLU H H 509 7.534 7.534 7.978 -0.444 19516 3239 1 9 . 1 1 510 510 LEU N N 510 121.442 121.442 119.454 1.988 19516 3240 1 9 . 1 1 510 510 LEU HA H 510 4.141 4.141 3.998 0.143 19516 3241 1 9 . 1 1 510 510 LEU C C 510 177.961 177.961 178.738 -0.777 19516 3242 1 9 . 1 1 510 510 LEU CA C 510 57.722 57.722 58.237 -0.515 19516 3243 1 9 . 1 1 510 510 LEU CB C 510 41.776 41.776 41.593 0.183 19516 3244 1 9 . 1 1 510 510 LEU H H 510 8.018 8.018 7.449 0.569 19516 3245 1 9 . 1 1 511 511 HIS N N 511 119.858 119.858 119.343 0.515 19516 3246 1 9 . 1 1 511 511 HIS HA H 511 3.708 3.708 3.978 -0.270 19516 3247 1 9 . 1 1 511 511 HIS C C 511 176.325 176.325 177.374 -1.049 19516 3248 1 9 . 1 1 511 511 HIS CA C 511 62.252 62.252 60.387 1.865 19516 3249 1 9 . 1 1 511 511 HIS CB C 511 31.459 31.459 29.820 1.639 19516 3250 1 9 . 1 1 511 511 HIS H H 511 9.028 9.028 9.023 0.005 19516 3251 1 9 . 1 1 512 512 ARG N N 512 117.523 117.523 118.117 -0.594 19516 3252 1 9 . 1 1 512 512 ARG HA H 512 3.859 3.859 3.837 0.022 19516 3253 1 9 . 1 1 512 512 ARG C C 512 179.801 179.801 179.164 0.637 19516 3254 1 9 . 1 1 512 512 ARG CA C 512 59.584 59.584 59.113 0.471 19516 3255 1 9 . 1 1 512 512 ARG CB C 512 30.154 30.154 29.493 0.661 19516 3256 1 9 . 1 1 512 512 ARG H H 512 7.942 7.942 8.621 -0.679 19516 3257 1 9 . 1 1 513 513 ARG N N 513 117.870 117.870 119.354 -1.484 19516 3258 1 9 . 1 1 513 513 ARG HA H 513 4.041 4.041 4.062 -0.021 19516 3259 1 9 . 1 1 513 513 ARG C C 513 179.852 179.852 179.170 0.682 19516 3260 1 9 . 1 1 513 513 ARG CA C 513 58.766 58.766 59.305 -0.539 19516 3261 1 9 . 1 1 513 513 ARG CB C 513 30.582 30.582 30.067 0.515 19516 3262 1 9 . 1 1 513 513 ARG H H 513 7.845 7.845 8.086 -0.241 19516 3263 1 9 . 1 1 514 514 LEU N N 514 119.343 119.343 120.502 -1.159 19516 3264 1 9 . 1 1 514 514 LEU HA H 514 4.031 4.031 3.995 0.036 19516 3265 1 9 . 1 1 514 514 LEU C C 514 178.922 178.922 178.150 0.772 19516 3266 1 9 . 1 1 514 514 LEU CA C 514 57.671 57.671 57.823 -0.152 19516 3267 1 9 . 1 1 514 514 LEU CB C 514 41.926 41.926 41.949 -0.023 19516 3268 1 9 . 1 1 514 514 LEU H H 514 8.753 8.753 8.438 0.315 19516 3269 1 9 . 1 1 515 515 MET N N 515 115.167 115.167 116.573 -1.406 19516 3270 1 9 . 1 1 515 515 MET HA H 515 4.397 4.397 4.088 0.309 19516 3271 1 9 . 1 1 515 515 MET C C 515 177.921 177.921 177.200 0.721 19516 3272 1 9 . 1 1 515 515 MET CA C 515 56.895 56.895 57.653 -0.758 19516 3273 1 9 . 1 1 515 515 MET CB C 515 31.659 31.659 33.031 -1.372 19516 3274 1 9 . 1 1 515 515 MET H H 515 7.810 7.810 8.220 -0.410 19516 3275 1 9 . 1 1 516 516 THR N N 516 106.551 106.551 107.522 -0.971 19516 3276 1 9 . 1 1 516 516 THR HA H 516 4.441 4.441 4.273 0.168 19516 3277 1 9 . 1 1 516 516 THR C C 516 174.390 174.390 175.695 -1.305 19516 3278 1 9 . 1 1 516 516 THR CA C 516 61.133 61.133 62.275 -1.142 19516 3279 1 9 . 1 1 516 516 THR CB C 516 69.787 69.787 69.797 -0.010 19516 3280 1 9 . 1 1 516 516 THR H H 516 7.269 7.269 7.478 -0.209 19516 3281 1 9 . 1 1 517 517 LEU N N 517 123.805 123.805 123.430 0.375 19516 3282 1 9 . 1 1 517 517 LEU HA H 517 4.283 4.283 4.163 0.120 19516 3283 1 9 . 1 1 517 517 LEU C C 517 177.241 177.241 176.205 1.036 19516 3284 1 9 . 1 1 517 517 LEU CA C 517 56.137 56.137 56.130 0.007 19516 3285 1 9 . 1 1 517 517 LEU CB C 517 42.974 42.974 42.612 0.362 19516 3286 1 9 . 1 1 517 517 LEU H H 517 7.036 7.036 7.667 -0.631 19516 3287 1 9 . 1 1 518 518 ARG N N 518 122.669 122.669 122.021 0.648 19516 3288 1 9 . 1 1 518 518 ARG HA H 518 4.598 4.598 4.435 0.163 19516 3289 1 9 . 1 1 518 518 ARG C C 518 175.915 175.915 175.505 0.410 19516 3290 1 9 . 1 1 518 518 ARG CA C 518 54.831 54.831 55.390 -0.559 19516 3291 1 9 . 1 1 518 518 ARG CB C 518 32.442 32.442 30.840 1.602 19516 3292 1 9 . 1 1 518 518 ARG H H 518 9.040 9.040 8.284 0.756 19516 3293 1 9 . 1 1 519 519 GLU N N 519 121.385 121.385 120.708 0.677 19516 3294 1 9 . 1 1 519 519 GLU HA H 519 4.295 4.295 4.381 -0.086 19516 3295 1 9 . 1 1 519 519 GLU C C 519 177.016 177.016 176.888 0.128 19516 3296 1 9 . 1 1 519 519 GLU CA C 519 57.380 57.380 55.338 2.042 19516 3297 1 9 . 1 1 519 519 GLU CB C 519 30.017 30.017 29.523 0.493 19516 3298 1 9 . 1 1 519 519 GLU H H 519 7.172 7.172 7.952 -0.779 19516 3299 1 9 . 1 1 520 520 ARG N N 520 128.171 128.171 128.001 0.170 19516 3300 1 9 . 1 1 520 520 ARG HA H 520 3.811 3.811 3.933 -0.122 19516 3301 1 9 . 1 1 520 520 ARG C C 520 177.930 177.930 177.593 0.337 19516 3302 1 9 . 1 1 520 520 ARG CA C 520 60.867 60.867 59.049 1.818 19516 3303 1 9 . 1 1 520 520 ARG CB C 520 30.187 30.187 29.530 0.657 19516 3304 1 9 . 1 1 520 520 ARG H H 520 8.918 8.918 8.584 0.334 19516 3305 1 9 . 1 1 521 521 HIS N N 521 116.808 116.808 120.095 -3.287 19516 3306 1 9 . 1 1 521 521 HIS HA H 521 4.402 4.402 4.268 0.134 19516 3307 1 9 . 1 1 521 521 HIS C C 521 177.637 177.637 177.273 0.364 19516 3308 1 9 . 1 1 521 521 HIS CA C 521 59.645 59.645 59.314 0.331 19516 3309 1 9 . 1 1 521 521 HIS CB C 521 28.425 28.425 29.917 -1.492 19516 3310 1 9 . 1 1 521 521 HIS H H 521 9.073 9.073 8.276 0.797 19516 3311 1 9 . 1 1 522 522 ILE N N 522 119.592 119.592 118.484 1.108 19516 3312 1 9 . 1 1 522 522 ILE HA H 522 3.896 3.896 3.902 -0.006 19516 3313 1 9 . 1 1 522 522 ILE C C 522 177.866 177.866 177.618 0.248 19516 3314 1 9 . 1 1 522 522 ILE CA C 522 63.397 63.397 62.025 1.372 19516 3315 1 9 . 1 1 522 522 ILE CB C 522 37.650 37.650 37.396 0.254 19516 3316 1 9 . 1 1 522 522 ILE H H 522 7.088 7.088 7.509 -0.421 19516 3317 1 9 . 1 1 523 523 LEU N N 523 119.719 119.719 119.896 -0.177 19516 3318 1 9 . 1 1 523 523 LEU HA H 523 3.819 3.819 3.722 0.097 19516 3319 1 9 . 1 1 523 523 LEU C C 523 178.379 178.379 179.620 -1.241 19516 3320 1 9 . 1 1 523 523 LEU CA C 523 58.386 58.386 57.931 0.455 19516 3321 1 9 . 1 1 523 523 LEU CB C 523 41.318 41.318 40.765 0.553 19516 3322 1 9 . 1 1 523 523 LEU H H 523 7.905 7.905 7.530 0.375 19516 3323 1 9 . 1 1 524 524 GLN N N 524 116.700 116.700 116.205 0.495 19516 3324 1 9 . 1 1 524 524 GLN HA H 524 3.552 3.552 3.802 -0.250 19516 3325 1 9 . 1 1 524 524 GLN C C 524 177.441 177.441 178.295 -0.854 19516 3326 1 9 . 1 1 524 524 GLN CA C 524 58.259 58.259 58.564 -0.305 19516 3327 1 9 . 1 1 524 524 GLN CB C 524 29.097 29.097 28.239 0.858 19516 3328 1 9 . 1 1 524 524 GLN H H 524 8.265 8.265 8.506 -0.241 19516 3329 1 9 . 1 1 525 525 GLN N N 525 117.608 117.608 118.930 -1.322 19516 3330 1 9 . 1 1 525 525 GLN HA H 525 3.777 3.777 3.796 -0.019 19516 3331 1 9 . 1 1 525 525 GLN C C 525 179.278 179.278 178.424 0.854 19516 3332 1 9 . 1 1 525 525 GLN CA C 525 58.986 58.986 58.050 0.936 19516 3333 1 9 . 1 1 525 525 GLN CB C 525 28.545 28.545 27.819 0.726 19516 3334 1 9 . 1 1 525 525 GLN H H 525 7.300 7.300 7.461 -0.161 19516 3335 1 9 . 1 1 526 526 ILE N N 526 119.883 119.883 120.170 -0.287 19516 3336 1 9 . 1 1 526 526 ILE HA H 526 3.434 3.434 3.367 0.067 19516 3337 1 9 . 1 1 526 526 ILE C C 526 176.638 176.638 177.751 -1.113 19516 3338 1 9 . 1 1 526 526 ILE CA C 526 66.116 66.116 65.235 0.881 19516 3339 1 9 . 1 1 526 526 ILE CB C 526 37.581 37.581 37.590 -0.009 19516 3340 1 9 . 1 1 526 526 ILE H H 526 8.039 8.039 7.968 0.071 19516 3341 1 9 . 1 1 527 527 VAL N N 527 119.535 119.535 119.215 0.320 19516 3342 1 9 . 1 1 527 527 VAL HA H 527 2.791 2.791 2.930 -0.139 19516 3343 1 9 . 1 1 527 527 VAL C C 527 176.957 176.957 177.402 -0.445 19516 3344 1 9 . 1 1 527 527 VAL CA C 527 66.371 66.371 66.695 -0.324 19516 3345 1 9 . 1 1 527 527 VAL CB C 527 30.623 30.623 30.906 -0.283 19516 3346 1 9 . 1 1 527 527 VAL H H 527 8.052 8.052 7.330 0.722 19516 3347 1 9 . 1 1 528 528 ASN N N 528 117.957 117.957 115.875 2.082 19516 3348 1 9 . 1 1 528 528 ASN HA H 528 4.138 4.138 4.250 -0.112 19516 3349 1 9 . 1 1 528 528 ASN C C 528 178.148 178.148 177.755 0.393 19516 3350 1 9 . 1 1 528 528 ASN CA C 528 55.696 55.696 55.241 0.455 19516 3351 1 9 . 1 1 528 528 ASN CB C 528 37.192 37.192 38.193 -1.001 19516 3352 1 9 . 1 1 528 528 ASN H H 528 8.172 8.172 7.638 0.534 19516 3353 1 9 . 1 1 529 529 LEU N N 529 120.654 120.654 121.843 -1.189 19516 3354 1 9 . 1 1 529 529 LEU HA H 529 4.166 4.166 4.196 -0.030 19516 3355 1 9 . 1 1 529 529 LEU C C 529 178.908 178.908 178.501 0.407 19516 3356 1 9 . 1 1 529 529 LEU CA C 529 57.870 57.870 57.513 0.357 19516 3357 1 9 . 1 1 529 529 LEU CB C 529 42.512 42.512 41.770 0.743 19516 3358 1 9 . 1 1 529 529 LEU H H 529 7.666 7.666 7.809 -0.143 19516 3359 1 9 . 1 1 530 530 ILE N N 530 117.213 117.213 117.402 -0.189 19516 3360 1 9 . 1 1 530 530 ILE HA H 530 3.677 3.677 3.875 -0.198 19516 3361 1 9 . 1 1 530 530 ILE C C 530 180.762 180.762 178.205 2.557 19516 3362 1 9 . 1 1 530 530 ILE CA C 530 61.592 61.592 64.925 -3.333 19516 3363 1 9 . 1 1 530 530 ILE CB C 530 34.726 34.726 37.600 -2.874 19516 3364 1 9 . 1 1 530 530 ILE H H 530 8.543 8.543 8.203 0.340 19516 3365 1 9 . 1 1 531 531 GLU N N 531 124.050 124.050 120.438 3.612 19516 3366 1 9 . 1 1 531 531 GLU HA H 531 3.940 3.940 3.588 0.352 19516 3367 1 9 . 1 1 531 531 GLU C C 531 178.698 178.698 178.793 -0.095 19516 3368 1 9 . 1 1 531 531 GLU CA C 531 59.763 59.763 59.788 -0.025 19516 3369 1 9 . 1 1 531 531 GLU CB C 531 27.691 27.691 28.995 -1.304 19516 3370 1 9 . 1 1 531 531 GLU H H 531 9.276 9.276 8.624 0.652 19516 3371 1 9 . 1 1 532 532 GLU N N 532 116.396 116.396 117.609 -1.213 19516 3372 1 9 . 1 1 532 532 GLU HA H 532 3.995 3.995 4.118 -0.123 19516 3373 1 9 . 1 1 532 532 GLU C C 532 178.030 178.030 178.309 -0.279 19516 3374 1 9 . 1 1 532 532 GLU CA C 532 58.903 58.903 59.154 -0.251 19516 3375 1 9 . 1 1 532 532 GLU CB C 532 29.666 29.666 29.454 0.212 19516 3376 1 9 . 1 1 532 532 GLU H H 532 7.003 7.003 7.747 -0.744 19516 3377 1 9 . 1 1 533 533 THR N N 533 107.227 107.227 110.560 -3.333 19516 3378 1 9 . 1 1 533 533 THR HA H 533 4.328 4.328 4.205 0.123 19516 3379 1 9 . 1 1 533 533 THR C C 533 176.559 176.559 175.470 1.089 19516 3380 1 9 . 1 1 533 533 THR CA C 533 63.112 63.112 62.944 0.168 19516 3381 1 9 . 1 1 533 533 THR CB C 533 71.513 71.513 70.084 1.429 19516 3382 1 9 . 1 1 533 533 THR H H 533 7.611 7.611 7.500 0.111 19516 3383 1 9 . 1 1 534 534 GLY N N 534 106.448 106.448 111.854 -5.406 19516 3384 1 9 . 1 1 534 534 GLY C C 534 174.199 174.199 172.717 1.482 19516 3385 1 9 . 1 1 534 534 GLY CA C 534 45.527 45.527 44.979 0.548 19516 3386 1 9 . 1 1 534 534 GLY H H 534 7.618 7.618 8.484 -0.866 19516 3387 1 9 . 1 1 535 535 HIS N N 535 121.292 121.292 119.080 2.212 19516 3388 1 9 . 1 1 535 535 HIS HA H 535 4.909 4.909 4.399 0.510 19516 3389 1 9 . 1 1 535 535 HIS C C 535 172.641 172.641 173.006 -0.365 19516 3390 1 9 . 1 1 535 535 HIS CA C 535 53.806 53.806 55.757 -1.951 19516 3391 1 9 . 1 1 535 535 HIS CB C 535 27.013 27.013 30.117 -3.104 19516 3392 1 9 . 1 1 535 535 HIS H H 535 8.430 8.430 8.496 -0.066 19516 3393 1 9 . 1 1 536 536 PHE N N 536 115.908 115.908 115.721 0.187 19516 3394 1 9 . 1 1 536 536 PHE HA H 536 5.282 5.282 4.940 0.342 19516 3395 1 9 . 1 1 536 536 PHE C C 536 173.438 173.438 173.192 0.246 19516 3396 1 9 . 1 1 536 536 PHE CA C 536 55.736 55.736 54.756 0.980 19516 3397 1 9 . 1 1 536 536 PHE CB C 536 42.099 42.099 41.227 0.871 19516 3398 1 9 . 1 1 536 536 PHE H H 536 7.173 7.173 7.023 0.150 19516 3399 1 9 . 1 1 537 537 HIS N N 537 117.767 117.767 120.322 -2.555 19516 3400 1 9 . 1 1 537 537 HIS HA H 537 4.667 4.667 4.818 -0.151 19516 3401 1 9 . 1 1 537 537 HIS C C 537 172.182 172.182 174.550 -2.368 19516 3402 1 9 . 1 1 537 537 HIS CA C 537 55.264 55.264 54.779 0.485 19516 3403 1 9 . 1 1 537 537 HIS CB C 537 32.118 32.118 30.355 1.763 19516 3404 1 9 . 1 1 537 537 HIS H H 537 9.185 9.185 8.379 0.806 19516 3405 1 9 . 1 1 538 538 ILE N N 538 123.861 123.861 125.525 -1.664 19516 3406 1 9 . 1 1 538 538 ILE HA H 538 4.986 4.986 4.561 0.425 19516 3407 1 9 . 1 1 538 538 ILE C C 538 176.686 176.686 176.200 0.486 19516 3408 1 9 . 1 1 538 538 ILE CA C 538 60.271 60.271 61.695 -1.424 19516 3409 1 9 . 1 1 538 538 ILE CB C 538 39.400 39.400 39.198 0.202 19516 3410 1 9 . 1 1 538 538 ILE H H 538 8.649 8.649 8.777 -0.128 19516 3411 1 9 . 1 1 539 539 THR N N 539 119.438 119.438 122.970 -3.532 19516 3412 1 9 . 1 1 539 539 THR HA H 539 4.726 4.726 4.618 0.108 19516 3413 1 9 . 1 1 539 539 THR C C 539 173.788 173.788 173.671 0.117 19516 3414 1 9 . 1 1 539 539 THR CA C 539 60.256 60.256 61.207 -0.951 19516 3415 1 9 . 1 1 539 539 THR CB C 539 70.391 70.391 70.967 -0.576 19516 3416 1 9 . 1 1 539 539 THR H H 539 9.118 9.118 8.330 0.788 19516 3417 1 9 . 1 1 540 540 ASN N N 540 114.191 114.191 120.091 -5.900 19516 3418 1 9 . 1 1 540 540 ASN HA H 540 4.542 4.542 4.345 0.197 19516 3419 1 9 . 1 1 540 540 ASN C C 540 176.815 176.815 174.412 2.403 19516 3420 1 9 . 1 1 540 540 ASN CA C 540 56.202 56.202 55.685 0.516 19516 3421 1 9 . 1 1 540 540 ASN CB C 540 38.371 38.371 38.445 -0.074 19516 3422 1 9 . 1 1 540 540 ASN H H 540 8.569 8.569 8.817 -0.248 19516 3423 1 9 . 1 1 541 541 THR N N 541 102.711 102.711 117.996 -15.285 19516 3424 1 9 . 1 1 541 541 THR HA H 541 4.688 4.688 4.650 0.038 19516 3425 1 9 . 1 1 541 541 THR C C 541 175.793 175.793 173.027 2.766 19516 3426 1 9 . 1 1 541 541 THR CA C 541 61.897 61.897 62.537 -0.640 19516 3427 1 9 . 1 1 541 541 THR CB C 541 71.614 71.614 69.721 1.893 19516 3428 1 9 . 1 1 541 541 THR H H 541 7.913 7.913 8.143 -0.230 19516 3429 1 9 . 1 1 542 542 THR N N 542 115.756 115.756 116.570 -0.814 19516 3430 1 9 . 1 1 542 542 THR HA H 542 5.196 5.196 4.542 0.654 19516 3431 1 9 . 1 1 542 542 THR C C 542 170.174 170.174 172.402 -2.228 19516 3432 1 9 . 1 1 542 542 THR CA C 542 61.241 61.241 62.028 -0.787 19516 3433 1 9 . 1 1 542 542 THR CB C 542 72.559 72.559 70.546 2.013 19516 3434 1 9 . 1 1 542 542 THR H H 542 8.164 8.164 8.144 0.020 19516 3435 1 9 . 1 1 543 543 PHE N N 543 122.724 122.724 122.419 0.305 19516 3436 1 9 . 1 1 543 543 PHE HA H 543 4.754 4.754 4.868 -0.114 19516 3437 1 9 . 1 1 543 543 PHE C C 543 173.268 173.268 174.018 -0.750 19516 3438 1 9 . 1 1 543 543 PHE CA C 543 57.809 57.809 56.814 0.995 19516 3439 1 9 . 1 1 543 543 PHE CB C 543 41.077 41.077 40.674 0.403 19516 3440 1 9 . 1 1 543 543 PHE H H 543 9.363 9.363 8.534 0.829 19516 3441 1 9 . 1 1 544 544 ASP N N 544 128.063 128.063 128.406 -0.343 19516 3442 1 9 . 1 1 544 544 ASP HA H 544 6.057 6.057 5.020 1.037 19516 3443 1 9 . 1 1 544 544 ASP C C 544 175.674 175.674 174.275 1.399 19516 3444 1 9 . 1 1 544 544 ASP CA C 544 52.913 52.913 53.185 -0.272 19516 3445 1 9 . 1 1 544 544 ASP CB C 544 42.879 42.879 42.562 0.317 19516 3446 1 9 . 1 1 544 544 ASP H H 544 8.751 8.751 7.986 0.765 19516 3447 1 9 . 1 1 545 545 PHE N N 545 114.137 114.137 117.401 -3.264 19516 3448 1 9 . 1 1 545 545 PHE HA H 545 4.925 4.925 4.776 0.149 19516 3449 1 9 . 1 1 545 545 PHE C C 545 171.897 171.897 173.587 -1.690 19516 3450 1 9 . 1 1 545 545 PHE CA C 545 56.380 56.380 56.590 -0.210 19516 3451 1 9 . 1 1 545 545 PHE CB C 545 41.371 41.371 41.632 -0.261 19516 3452 1 9 . 1 1 545 545 PHE H H 545 8.662 8.662 8.089 0.573 19516 3453 1 9 . 1 1 546 546 ASP N N 546 121.001 121.001 123.732 -2.731 19516 3454 1 9 . 1 1 546 546 ASP HA H 546 5.019 5.019 4.785 0.234 19516 3455 1 9 . 1 1 546 546 ASP C C 546 178.950 178.950 176.624 2.326 19516 3456 1 9 . 1 1 546 546 ASP CA C 546 52.045 52.045 53.107 -1.062 19516 3457 1 9 . 1 1 546 546 ASP CB C 546 43.129 43.129 42.386 0.743 19516 3458 1 9 . 1 1 546 546 ASP H H 546 9.219 9.219 8.579 0.640 19516 3459 1 9 . 1 1 547 547 LEU N N 547 126.156 126.156 122.954 3.202 19516 3460 1 9 . 1 1 547 547 LEU HA H 547 4.104 4.104 4.266 -0.162 19516 3461 1 9 . 1 1 547 547 LEU C C 547 178.679 178.679 178.247 0.432 19516 3462 1 9 . 1 1 547 547 LEU CA C 547 58.272 58.272 57.015 1.257 19516 3463 1 9 . 1 1 547 547 LEU CB C 547 43.101 43.101 41.665 1.436 19516 3464 1 9 . 1 1 547 547 LEU H H 547 8.623 8.623 8.630 -0.007 19516 3465 1 9 . 1 1 548 548 CYS N N 548 113.743 113.743 115.973 -2.230 19516 3466 1 9 . 1 1 548 548 CYS HA H 548 4.021 4.021 4.383 -0.362 19516 3467 1 9 . 1 1 548 548 CYS C C 548 174.884 174.884 175.297 -0.413 19516 3468 1 9 . 1 1 548 548 CYS CA C 548 61.823 61.823 60.493 1.330 19516 3469 1 9 . 1 1 548 548 CYS CB C 548 27.228 27.228 27.708 -0.480 19516 3470 1 9 . 1 1 548 548 CYS H H 548 8.820 8.820 8.139 0.681 19516 3471 1 9 . 1 1 549 549 SER N N 549 113.613 113.613 115.063 -1.450 19516 3472 1 9 . 1 1 549 549 SER HA H 549 4.456 4.456 4.185 0.271 19516 3473 1 9 . 1 1 549 549 SER C C 549 173.519 173.519 173.587 -0.068 19516 3474 1 9 . 1 1 549 549 SER CA C 549 58.515 58.515 58.390 0.125 19516 3475 1 9 . 1 1 549 549 SER CB C 549 64.459 64.459 62.421 2.038 19516 3476 1 9 . 1 1 549 549 SER H H 549 7.720 7.720 7.699 0.021 19516 3477 1 9 . 1 1 550 550 LEU N N 550 118.126 118.126 120.877 -2.751 19516 3478 1 9 . 1 1 550 550 LEU HA H 550 4.471 4.471 4.394 0.077 19516 3479 1 9 . 1 1 550 550 LEU C C 550 176.903 176.903 176.234 0.669 19516 3480 1 9 . 1 1 550 550 LEU CA C 550 53.498 53.498 54.713 -1.215 19516 3481 1 9 . 1 1 550 550 LEU CB C 550 43.619 43.619 42.822 0.797 19516 3482 1 9 . 1 1 550 550 LEU H H 550 6.779 6.779 7.192 -0.413 19516 3483 1 9 . 1 1 551 551 ASP N N 551 121.893 121.893 118.573 3.320 19516 3484 1 9 . 1 1 551 551 ASP HA H 551 4.665 4.665 4.884 -0.219 19516 3485 1 9 . 1 1 551 551 ASP C C 551 176.382 176.382 176.717 -0.335 19516 3486 1 9 . 1 1 551 551 ASP CA C 551 53.535 53.535 53.397 0.138 19516 3487 1 9 . 1 1 551 551 ASP CB C 551 42.051 42.051 43.497 -1.446 19516 3488 1 9 . 1 1 551 551 ASP H H 551 9.082 9.082 8.546 0.536 19516 3489 1 9 . 1 1 552 552 LYS N N 552 121.414 121.414 123.843 -2.429 19516 3490 1 9 . 1 1 552 552 LYS HA H 552 4.149 4.149 4.097 0.052 19516 3491 1 9 . 1 1 552 552 LYS C C 552 179.021 179.021 178.294 0.727 19516 3492 1 9 . 1 1 552 552 LYS CA C 552 60.233 60.233 60.409 -0.176 19516 3493 1 9 . 1 1 552 552 LYS CB C 552 32.495 32.495 31.922 0.572 19516 3494 1 9 . 1 1 552 552 LYS H H 552 8.601 8.601 8.916 -0.315 19516 3495 1 9 . 1 1 553 553 THR N N 553 113.449 113.449 112.455 0.994 19516 3496 1 9 . 1 1 553 553 THR HA H 553 3.910 3.910 4.221 -0.311 19516 3497 1 9 . 1 1 553 553 THR C C 553 177.036 177.036 176.701 0.335 19516 3498 1 9 . 1 1 553 553 THR CA C 553 66.065 66.065 65.882 0.183 19516 3499 1 9 . 1 1 553 553 THR CB C 553 68.436 68.436 68.219 0.217 19516 3500 1 9 . 1 1 553 553 THR H H 553 8.244 8.244 8.234 0.010 19516 3501 1 9 . 1 1 554 554 THR N N 554 120.799 120.799 118.691 2.108 19516 3502 1 9 . 1 1 554 554 THR HA H 554 3.828 3.828 4.326 -0.498 19516 3503 1 9 . 1 1 554 554 THR C C 554 176.156 176.156 176.160 -0.004 19516 3504 1 9 . 1 1 554 554 THR CA C 554 66.779 66.779 65.800 0.979 19516 3505 1 9 . 1 1 554 554 THR CB C 554 67.976 67.976 68.701 -0.725 19516 3506 1 9 . 1 1 554 554 THR H H 554 7.862 7.862 8.104 -0.242 19516 3507 1 9 . 1 1 555 555 VAL N N 555 122.618 122.618 122.362 0.256 19516 3508 1 9 . 1 1 555 555 VAL HA H 555 3.366 3.366 3.779 -0.413 19516 3509 1 9 . 1 1 555 555 VAL C C 555 177.296 177.296 177.368 -0.072 19516 3510 1 9 . 1 1 555 555 VAL CA C 555 68.041 68.041 66.251 1.790 19516 3511 1 9 . 1 1 555 555 VAL CB C 555 31.715 31.715 31.237 0.478 19516 3512 1 9 . 1 1 555 555 VAL H H 555 7.970 7.970 8.822 -0.852 19516 3513 1 9 . 1 1 556 556 ARG N N 556 118.700 118.700 119.024 -0.324 19516 3514 1 9 . 1 1 556 556 ARG HA H 556 4.420 4.420 4.186 0.234 19516 3515 1 9 . 1 1 556 556 ARG C C 556 180.076 180.076 178.529 1.547 19516 3516 1 9 . 1 1 556 556 ARG CA C 556 58.628 58.628 58.663 -0.035 19516 3517 1 9 . 1 1 556 556 ARG CB C 556 29.147 29.147 29.792 -0.645 19516 3518 1 9 . 1 1 556 556 ARG H H 556 8.342 8.342 7.643 0.699 19516 3519 1 9 . 1 1 557 557 LYS N N 557 120.947 120.947 119.119 1.828 19516 3520 1 9 . 1 1 557 557 LYS HA H 557 3.913 3.913 4.173 -0.260 19516 3521 1 9 . 1 1 557 557 LYS C C 557 178.774 178.774 178.713 0.061 19516 3522 1 9 . 1 1 557 557 LYS CA C 557 59.270 59.270 57.815 1.455 19516 3523 1 9 . 1 1 557 557 LYS CB C 557 32.075 32.075 32.487 -0.412 19516 3524 1 9 . 1 1 557 557 LYS H H 557 7.670 7.670 7.578 0.092 19516 3525 1 9 . 1 1 558 558 LEU N N 558 120.582 120.582 120.948 -0.366 19516 3526 1 9 . 1 1 558 558 LEU HA H 558 3.704 3.704 4.270 -0.566 19516 3527 1 9 . 1 1 558 558 LEU C C 558 178.702 178.702 178.945 -0.243 19516 3528 1 9 . 1 1 558 558 LEU CA C 558 58.682 58.682 57.982 0.700 19516 3529 1 9 . 1 1 558 558 LEU CB C 558 42.744 42.744 42.275 0.469 19516 3530 1 9 . 1 1 558 558 LEU H H 558 8.166 8.166 7.855 0.311 19516 3531 1 9 . 1 1 559 559 GLN N N 559 115.514 115.514 117.336 -1.822 19516 3532 1 9 . 1 1 559 559 GLN HA H 559 3.869 3.869 3.857 0.012 19516 3533 1 9 . 1 1 559 559 GLN C C 559 179.502 179.502 178.376 1.126 19516 3534 1 9 . 1 1 559 559 GLN CA C 559 59.568 59.568 59.111 0.457 19516 3535 1 9 . 1 1 559 559 GLN CB C 559 28.527 28.527 28.293 0.234 19516 3536 1 9 . 1 1 559 559 GLN H H 559 8.441 8.441 8.329 0.112 19516 3537 1 9 . 1 1 560 560 SER N N 560 115.703 115.703 115.783 -0.080 19516 3538 1 9 . 1 1 560 560 SER HA H 560 4.310 4.310 4.155 0.155 19516 3539 1 9 . 1 1 560 560 SER C C 560 176.997 176.997 176.429 0.568 19516 3540 1 9 . 1 1 560 560 SER CA C 560 61.535 61.535 61.006 0.529 19516 3541 1 9 . 1 1 560 560 SER CB C 560 62.810 62.810 62.812 -0.001 19516 3542 1 9 . 1 1 560 560 SER H H 560 7.883 7.883 7.695 0.188 19516 3543 1 9 . 1 1 561 561 TYR N N 561 121.470 121.470 118.944 2.526 19516 3544 1 9 . 1 1 561 561 TYR HA H 561 4.667 4.667 4.290 0.377 19516 3545 1 9 . 1 1 561 561 TYR C C 561 178.019 178.019 176.637 1.382 19516 3546 1 9 . 1 1 561 561 TYR CA C 561 57.854 57.854 60.439 -2.585 19516 3547 1 9 . 1 1 561 561 TYR CB C 561 36.842 36.842 37.999 -1.157 19516 3548 1 9 . 1 1 561 561 TYR H H 561 7.856 7.856 7.747 0.109 19516 3549 1 9 . 1 1 562 562 LEU N N 562 117.382 117.382 115.655 1.727 19516 3550 1 9 . 1 1 562 562 LEU HA H 562 4.233 4.233 4.456 -0.223 19516 3551 1 9 . 1 1 562 562 LEU C C 562 178.086 178.086 176.261 1.825 19516 3552 1 9 . 1 1 562 562 LEU CA C 562 55.989 55.989 54.704 1.285 19516 3553 1 9 . 1 1 562 562 LEU CB C 562 41.606 41.606 43.105 -1.499 19516 3554 1 9 . 1 1 562 562 LEU H H 562 7.618 7.618 7.286 0.332 19516 3555 1 9 . 1 1 563 563 GLU N N 563 119.602 119.602 119.853 -0.251 19516 3556 1 9 . 1 1 563 563 GLU HA H 563 4.313 4.313 4.041 0.272 19516 3557 1 9 . 1 1 563 563 GLU C C 563 177.407 177.407 175.324 2.083 19516 3558 1 9 . 1 1 563 563 GLU CA C 563 57.577 57.577 57.103 0.474 19516 3559 1 9 . 1 1 563 563 GLU CB C 563 30.072 30.072 29.295 0.777 19516 3560 1 9 . 1 1 563 563 GLU H H 563 7.724 7.724 7.652 0.072 19516 3561 1 9 . 1 1 564 564 THR N N 564 112.400 112.400 119.179 -6.779 19516 3562 1 9 . 1 1 564 564 THR HA H 564 4.416 4.416 4.496 -0.080 19516 3563 1 9 . 1 1 564 564 THR C C 564 174.998 174.998 174.306 0.692 19516 3564 1 9 . 1 1 564 564 THR CA C 564 62.021 62.021 62.017 0.004 19516 3565 1 9 . 1 1 564 564 THR CB C 564 69.690 69.690 70.219 -0.529 19516 3566 1 9 . 1 1 564 564 THR H H 564 8.019 8.019 8.165 -0.146 19516 3567 1 9 . 1 1 565 565 SER N N 565 117.680 117.680 120.734 -3.054 19516 3568 1 9 . 1 1 565 565 SER HA H 565 4.463 4.463 4.231 0.232 19516 3569 1 9 . 1 1 565 565 SER C C 565 175.109 175.109 175.161 -0.052 19516 3570 1 9 . 1 1 565 565 SER CA C 565 58.814 58.814 58.553 0.261 19516 3571 1 9 . 1 1 565 565 SER CB C 565 63.945 63.945 63.061 0.884 19516 3572 1 9 . 1 1 565 565 SER H H 565 8.136 8.136 8.576 -0.440 19516 3573 1 9 . 1 1 566 566 GLY N N 566 111.023 111.023 109.463 1.560 19516 3574 1 9 . 1 1 566 566 GLY C C 566 174.384 174.384 174.600 -0.216 19516 3575 1 9 . 1 1 566 566 GLY CA C 566 45.575 45.575 45.302 0.273 19516 3576 1 9 . 1 1 566 566 GLY H H 566 8.510 8.510 8.402 0.108 19516 3577 1 9 . 1 1 567 567 THR N N 567 113.077 113.077 115.174 -2.097 19516 3578 1 9 . 1 1 567 567 THR HA H 567 4.405 4.405 4.307 0.098 19516 3579 1 9 . 1 1 567 567 THR C C 567 173.995 173.995 175.178 -1.183 19516 3580 1 9 . 1 1 567 567 THR CA C 567 61.713 61.713 62.104 -0.391 19516 3581 1 9 . 1 1 567 567 THR CB C 567 70.013 70.013 69.711 0.302 19516 3582 1 9 . 1 1 567 567 THR H H 567 8.061 8.061 7.894 0.167 19516 3583 1 10 . 1 1 501 501 LYS N N 501 125.415 125.415 121.583 3.832 19516 3584 1 10 . 1 1 501 501 LYS HA H 501 4.007 4.007 4.193 -0.186 19516 3585 1 10 . 1 1 501 501 LYS C C 501 177.113 177.113 178.149 -1.036 19516 3586 1 10 . 1 1 501 501 LYS CA C 501 59.115 59.115 57.472 1.643 19516 3587 1 10 . 1 1 501 501 LYS CB C 501 32.793 32.793 32.303 0.490 19516 3588 1 10 . 1 1 501 501 LYS H H 501 8.677 8.677 8.431 0.246 19516 3589 1 10 . 1 1 502 502 ALA N N 502 120.718 120.718 122.780 -2.062 19516 3590 1 10 . 1 1 502 502 ALA HA H 502 4.240 4.240 4.183 0.057 19516 3591 1 10 . 1 1 502 502 ALA C C 502 180.345 180.345 179.105 1.240 19516 3592 1 10 . 1 1 502 502 ALA CA C 502 54.738 54.738 54.631 0.107 19516 3593 1 10 . 1 1 502 502 ALA CB C 502 18.172 18.172 18.116 0.056 19516 3594 1 10 . 1 1 502 502 ALA H H 502 8.382 8.382 8.085 0.297 19516 3595 1 10 . 1 1 503 503 TYR N N 503 120.200 120.200 120.063 0.137 19516 3596 1 10 . 1 1 503 503 TYR HA H 503 4.543 4.543 4.205 0.338 19516 3597 1 10 . 1 1 503 503 TYR C C 503 177.235 177.235 177.619 -0.384 19516 3598 1 10 . 1 1 503 503 TYR CA C 503 60.020 60.020 61.683 -1.663 19516 3599 1 10 . 1 1 503 503 TYR CB C 503 38.707 38.707 38.366 0.341 19516 3600 1 10 . 1 1 503 503 TYR H H 503 7.817 7.817 7.704 0.113 19516 3601 1 10 . 1 1 504 504 LEU N N 504 120.133 120.133 118.135 1.998 19516 3602 1 10 . 1 1 504 504 LEU HA H 504 3.857 3.857 3.723 0.134 19516 3603 1 10 . 1 1 504 504 LEU C C 504 178.616 178.616 178.946 -0.330 19516 3604 1 10 . 1 1 504 504 LEU CA C 504 58.200 58.200 58.302 -0.102 19516 3605 1 10 . 1 1 504 504 LEU CB C 504 41.066 41.066 41.322 -0.256 19516 3606 1 10 . 1 1 504 504 LEU H H 504 8.175 8.175 8.290 -0.115 19516 3607 1 10 . 1 1 505 505 ASP N N 505 117.709 117.709 118.353 -0.644 19516 3608 1 10 . 1 1 505 505 ASP HA H 505 4.307 4.307 4.218 0.089 19516 3609 1 10 . 1 1 505 505 ASP C C 505 179.849 179.849 178.297 1.552 19516 3610 1 10 . 1 1 505 505 ASP CA C 505 57.578 57.578 57.742 -0.164 19516 3611 1 10 . 1 1 505 505 ASP CB C 505 39.811 39.811 40.783 -0.972 19516 3612 1 10 . 1 1 505 505 ASP H H 505 8.308 8.308 7.790 0.518 19516 3613 1 10 . 1 1 506 506 GLU N N 506 121.244 121.244 117.964 3.280 19516 3614 1 10 . 1 1 506 506 GLU HA H 506 4.038 4.038 4.024 0.014 19516 3615 1 10 . 1 1 506 506 GLU C C 506 179.957 179.957 178.799 1.158 19516 3616 1 10 . 1 1 506 506 GLU CA C 506 59.786 59.786 58.668 1.118 19516 3617 1 10 . 1 1 506 506 GLU CB C 506 29.644 29.644 29.575 0.069 19516 3618 1 10 . 1 1 506 506 GLU H H 506 7.657 7.657 7.847 -0.190 19516 3619 1 10 . 1 1 507 507 LEU N N 507 121.550 121.550 119.383 2.167 19516 3620 1 10 . 1 1 507 507 LEU HA H 507 3.860 3.860 4.106 -0.246 19516 3621 1 10 . 1 1 507 507 LEU C C 507 178.973 178.973 178.687 0.286 19516 3622 1 10 . 1 1 507 507 LEU CA C 507 57.925 57.925 57.026 0.899 19516 3623 1 10 . 1 1 507 507 LEU CB C 507 41.882 41.882 41.819 0.063 19516 3624 1 10 . 1 1 507 507 LEU H H 507 8.255 8.255 7.704 0.551 19516 3625 1 10 . 1 1 508 508 VAL N N 508 121.174 121.174 121.398 -0.224 19516 3626 1 10 . 1 1 508 508 VAL HA H 508 3.522 3.522 3.453 0.069 19516 3627 1 10 . 1 1 508 508 VAL C C 508 178.831 178.831 178.148 0.683 19516 3628 1 10 . 1 1 508 508 VAL CA C 508 67.098 67.098 67.640 -0.542 19516 3629 1 10 . 1 1 508 508 VAL CB C 508 31.988 31.988 31.542 0.446 19516 3630 1 10 . 1 1 508 508 VAL H H 508 8.679 8.679 8.459 0.220 19516 3631 1 10 . 1 1 509 509 GLU N N 509 120.516 120.516 119.037 1.479 19516 3632 1 10 . 1 1 509 509 GLU HA H 509 4.286 4.286 3.907 0.379 19516 3633 1 10 . 1 1 509 509 GLU C C 509 178.354 178.354 179.206 -0.852 19516 3634 1 10 . 1 1 509 509 GLU CA C 509 58.837 58.837 59.589 -0.752 19516 3635 1 10 . 1 1 509 509 GLU CB C 509 28.859 28.859 29.325 -0.466 19516 3636 1 10 . 1 1 509 509 GLU H H 509 7.534 7.534 7.816 -0.282 19516 3637 1 10 . 1 1 510 510 LEU N N 510 121.442 121.442 119.721 1.721 19516 3638 1 10 . 1 1 510 510 LEU HA H 510 4.141 4.141 3.942 0.199 19516 3639 1 10 . 1 1 510 510 LEU C C 510 177.961 177.961 178.763 -0.802 19516 3640 1 10 . 1 1 510 510 LEU CA C 510 57.722 57.722 58.391 -0.669 19516 3641 1 10 . 1 1 510 510 LEU CB C 510 41.776 41.776 41.584 0.192 19516 3642 1 10 . 1 1 510 510 LEU H H 510 8.018 8.018 7.618 0.400 19516 3643 1 10 . 1 1 511 511 HIS N N 511 119.858 119.858 118.288 1.570 19516 3644 1 10 . 1 1 511 511 HIS HA H 511 3.708 3.708 4.100 -0.392 19516 3645 1 10 . 1 1 511 511 HIS C C 511 176.325 176.325 177.536 -1.211 19516 3646 1 10 . 1 1 511 511 HIS CA C 511 62.252 62.252 60.529 1.723 19516 3647 1 10 . 1 1 511 511 HIS CB C 511 31.459 31.459 30.215 1.244 19516 3648 1 10 . 1 1 511 511 HIS H H 511 9.028 9.028 8.401 0.627 19516 3649 1 10 . 1 1 512 512 ARG N N 512 117.523 117.523 119.694 -2.171 19516 3650 1 10 . 1 1 512 512 ARG HA H 512 3.859 3.859 3.954 -0.095 19516 3651 1 10 . 1 1 512 512 ARG C C 512 179.801 179.801 178.818 0.983 19516 3652 1 10 . 1 1 512 512 ARG CA C 512 59.584 59.584 59.499 0.085 19516 3653 1 10 . 1 1 512 512 ARG CB C 512 30.154 30.154 30.083 0.071 19516 3654 1 10 . 1 1 512 512 ARG H H 512 7.942 7.942 8.759 -0.817 19516 3655 1 10 . 1 1 513 513 ARG N N 513 117.870 117.870 119.427 -1.557 19516 3656 1 10 . 1 1 513 513 ARG HA H 513 4.041 4.041 4.109 -0.068 19516 3657 1 10 . 1 1 513 513 ARG C C 513 179.852 179.852 178.804 1.048 19516 3658 1 10 . 1 1 513 513 ARG CA C 513 58.766 58.766 58.835 -0.069 19516 3659 1 10 . 1 1 513 513 ARG CB C 513 30.582 30.582 29.520 1.062 19516 3660 1 10 . 1 1 513 513 ARG H H 513 7.845 7.845 8.053 -0.208 19516 3661 1 10 . 1 1 514 514 LEU N N 514 119.343 119.343 120.850 -1.507 19516 3662 1 10 . 1 1 514 514 LEU HA H 514 4.031 4.031 4.029 0.002 19516 3663 1 10 . 1 1 514 514 LEU C C 514 178.922 178.922 179.075 -0.153 19516 3664 1 10 . 1 1 514 514 LEU CA C 514 57.671 57.671 57.553 0.118 19516 3665 1 10 . 1 1 514 514 LEU CB C 514 41.926 41.926 41.880 0.045 19516 3666 1 10 . 1 1 514 514 LEU H H 514 8.753 8.753 8.209 0.544 19516 3667 1 10 . 1 1 515 515 MET N N 515 115.167 115.167 116.886 -1.719 19516 3668 1 10 . 1 1 515 515 MET HA H 515 4.397 4.397 4.154 0.243 19516 3669 1 10 . 1 1 515 515 MET C C 515 177.921 177.921 177.116 0.805 19516 3670 1 10 . 1 1 515 515 MET CA C 515 56.895 56.895 57.576 -0.681 19516 3671 1 10 . 1 1 515 515 MET CB C 515 31.659 31.659 32.697 -1.038 19516 3672 1 10 . 1 1 515 515 MET H H 515 7.810 7.810 8.064 -0.254 19516 3673 1 10 . 1 1 516 516 THR N N 516 106.551 106.551 107.069 -0.518 19516 3674 1 10 . 1 1 516 516 THR HA H 516 4.441 4.441 4.269 0.172 19516 3675 1 10 . 1 1 516 516 THR C C 516 174.390 174.390 175.480 -1.090 19516 3676 1 10 . 1 1 516 516 THR CA C 516 61.133 61.133 62.161 -1.028 19516 3677 1 10 . 1 1 516 516 THR CB C 516 69.787 69.787 69.782 0.005 19516 3678 1 10 . 1 1 516 516 THR H H 516 7.269 7.269 7.175 0.094 19516 3679 1 10 . 1 1 517 517 LEU N N 517 123.805 123.805 123.958 -0.153 19516 3680 1 10 . 1 1 517 517 LEU HA H 517 4.283 4.283 4.096 0.187 19516 3681 1 10 . 1 1 517 517 LEU C C 517 177.241 177.241 175.908 1.333 19516 3682 1 10 . 1 1 517 517 LEU CA C 517 56.137 56.137 56.054 0.083 19516 3683 1 10 . 1 1 517 517 LEU CB C 517 42.974 42.974 42.650 0.324 19516 3684 1 10 . 1 1 517 517 LEU H H 517 7.036 7.036 7.846 -0.810 19516 3685 1 10 . 1 1 518 518 ARG N N 518 122.669 122.669 123.945 -1.276 19516 3686 1 10 . 1 1 518 518 ARG HA H 518 4.598 4.598 4.330 0.268 19516 3687 1 10 . 1 1 518 518 ARG C C 518 175.915 175.915 175.758 0.157 19516 3688 1 10 . 1 1 518 518 ARG CA C 518 54.831 54.831 55.505 -0.674 19516 3689 1 10 . 1 1 518 518 ARG CB C 518 32.442 32.442 29.887 2.555 19516 3690 1 10 . 1 1 518 518 ARG H H 518 9.040 9.040 8.124 0.916 19516 3691 1 10 . 1 1 519 519 GLU N N 519 121.385 121.385 122.976 -1.591 19516 3692 1 10 . 1 1 519 519 GLU HA H 519 4.295 4.295 4.227 0.068 19516 3693 1 10 . 1 1 519 519 GLU C C 519 177.016 177.016 177.514 -0.498 19516 3694 1 10 . 1 1 519 519 GLU CA C 519 57.380 57.380 56.777 0.603 19516 3695 1 10 . 1 1 519 519 GLU CB C 519 30.017 30.017 29.227 0.789 19516 3696 1 10 . 1 1 519 519 GLU H H 519 7.172 7.172 8.497 -1.325 19516 3697 1 10 . 1 1 520 520 ARG N N 520 128.171 128.171 126.548 1.623 19516 3698 1 10 . 1 1 520 520 ARG HA H 520 3.811 3.811 3.978 -0.167 19516 3699 1 10 . 1 1 520 520 ARG C C 520 177.930 177.930 177.924 0.006 19516 3700 1 10 . 1 1 520 520 ARG CA C 520 60.867 60.867 58.747 2.120 19516 3701 1 10 . 1 1 520 520 ARG CB C 520 30.187 30.187 30.050 0.137 19516 3702 1 10 . 1 1 520 520 ARG H H 520 8.918 8.918 8.868 0.050 19516 3703 1 10 . 1 1 521 521 HIS N N 521 116.808 116.808 119.963 -3.155 19516 3704 1 10 . 1 1 521 521 HIS HA H 521 4.402 4.402 4.306 0.096 19516 3705 1 10 . 1 1 521 521 HIS C C 521 177.637 177.637 177.193 0.444 19516 3706 1 10 . 1 1 521 521 HIS CA C 521 59.645 59.645 59.310 0.334 19516 3707 1 10 . 1 1 521 521 HIS CB C 521 28.425 28.425 29.795 -1.370 19516 3708 1 10 . 1 1 521 521 HIS H H 521 9.073 9.073 8.463 0.610 19516 3709 1 10 . 1 1 522 522 ILE N N 522 119.592 119.592 119.435 0.157 19516 3710 1 10 . 1 1 522 522 ILE HA H 522 3.896 3.896 3.885 0.011 19516 3711 1 10 . 1 1 522 522 ILE C C 522 177.866 177.866 177.514 0.352 19516 3712 1 10 . 1 1 522 522 ILE CA C 522 63.397 63.397 61.912 1.485 19516 3713 1 10 . 1 1 522 522 ILE CB C 522 37.650 37.650 36.590 1.060 19516 3714 1 10 . 1 1 522 522 ILE H H 522 7.088 7.088 8.877 -1.789 19516 3715 1 10 . 1 1 523 523 LEU N N 523 119.719 119.719 120.311 -0.592 19516 3716 1 10 . 1 1 523 523 LEU HA H 523 3.819 3.819 3.798 0.021 19516 3717 1 10 . 1 1 523 523 LEU C C 523 178.379 178.379 179.132 -0.753 19516 3718 1 10 . 1 1 523 523 LEU CA C 523 58.386 58.386 58.603 -0.217 19516 3719 1 10 . 1 1 523 523 LEU CB C 523 41.318 41.318 41.249 0.069 19516 3720 1 10 . 1 1 523 523 LEU H H 523 7.905 7.905 7.728 0.177 19516 3721 1 10 . 1 1 524 524 GLN N N 524 116.700 116.700 117.525 -0.825 19516 3722 1 10 . 1 1 524 524 GLN HA H 524 3.552 3.552 3.845 -0.293 19516 3723 1 10 . 1 1 524 524 GLN C C 524 177.441 177.441 178.021 -0.580 19516 3724 1 10 . 1 1 524 524 GLN CA C 524 58.259 58.259 58.930 -0.671 19516 3725 1 10 . 1 1 524 524 GLN CB C 524 29.097 29.097 28.429 0.668 19516 3726 1 10 . 1 1 524 524 GLN H H 524 8.265 8.265 7.796 0.469 19516 3727 1 10 . 1 1 525 525 GLN N N 525 117.608 117.608 118.980 -1.372 19516 3728 1 10 . 1 1 525 525 GLN HA H 525 3.777 3.777 3.848 -0.071 19516 3729 1 10 . 1 1 525 525 GLN C C 525 179.278 179.278 178.418 0.860 19516 3730 1 10 . 1 1 525 525 GLN CA C 525 58.986 58.986 58.242 0.744 19516 3731 1 10 . 1 1 525 525 GLN CB C 525 28.545 28.545 28.164 0.381 19516 3732 1 10 . 1 1 525 525 GLN H H 525 7.300 7.300 7.674 -0.374 19516 3733 1 10 . 1 1 526 526 ILE N N 526 119.883 119.883 119.694 0.189 19516 3734 1 10 . 1 1 526 526 ILE HA H 526 3.434 3.434 3.286 0.148 19516 3735 1 10 . 1 1 526 526 ILE C C 526 176.638 176.638 177.507 -0.869 19516 3736 1 10 . 1 1 526 526 ILE CA C 526 66.116 66.116 64.850 1.266 19516 3737 1 10 . 1 1 526 526 ILE CB C 526 37.581 37.581 37.589 -0.008 19516 3738 1 10 . 1 1 526 526 ILE H H 526 8.039 8.039 7.929 0.110 19516 3739 1 10 . 1 1 527 527 VAL N N 527 119.535 119.535 119.303 0.232 19516 3740 1 10 . 1 1 527 527 VAL HA H 527 2.791 2.791 3.013 -0.222 19516 3741 1 10 . 1 1 527 527 VAL C C 527 176.957 176.957 177.440 -0.483 19516 3742 1 10 . 1 1 527 527 VAL CA C 527 66.371 66.371 66.710 -0.339 19516 3743 1 10 . 1 1 527 527 VAL CB C 527 30.623 30.623 30.893 -0.270 19516 3744 1 10 . 1 1 527 527 VAL H H 527 8.052 8.052 7.352 0.700 19516 3745 1 10 . 1 1 528 528 ASN N N 528 117.957 117.957 116.388 1.569 19516 3746 1 10 . 1 1 528 528 ASN HA H 528 4.138 4.138 4.220 -0.082 19516 3747 1 10 . 1 1 528 528 ASN C C 528 178.148 178.148 177.703 0.445 19516 3748 1 10 . 1 1 528 528 ASN CA C 528 55.696 55.696 55.867 -0.171 19516 3749 1 10 . 1 1 528 528 ASN CB C 528 37.192 37.192 38.301 -1.109 19516 3750 1 10 . 1 1 528 528 ASN H H 528 8.172 8.172 7.592 0.580 19516 3751 1 10 . 1 1 529 529 LEU N N 529 120.654 120.654 121.372 -0.718 19516 3752 1 10 . 1 1 529 529 LEU HA H 529 4.166 4.166 4.139 0.027 19516 3753 1 10 . 1 1 529 529 LEU C C 529 178.908 178.908 178.331 0.577 19516 3754 1 10 . 1 1 529 529 LEU CA C 529 57.870 57.870 57.626 0.244 19516 3755 1 10 . 1 1 529 529 LEU CB C 529 42.512 42.512 41.489 1.023 19516 3756 1 10 . 1 1 529 529 LEU H H 529 7.666 7.666 7.823 -0.157 19516 3757 1 10 . 1 1 530 530 ILE N N 530 117.213 117.213 116.112 1.101 19516 3758 1 10 . 1 1 530 530 ILE HA H 530 3.677 3.677 3.907 -0.230 19516 3759 1 10 . 1 1 530 530 ILE C C 530 180.762 180.762 177.967 2.795 19516 3760 1 10 . 1 1 530 530 ILE CA C 530 61.592 61.592 64.448 -2.856 19516 3761 1 10 . 1 1 530 530 ILE CB C 530 34.726 34.726 37.623 -2.897 19516 3762 1 10 . 1 1 530 530 ILE H H 530 8.543 8.543 7.817 0.726 19516 3763 1 10 . 1 1 531 531 GLU N N 531 124.050 124.050 120.841 3.209 19516 3764 1 10 . 1 1 531 531 GLU HA H 531 3.940 3.940 2.632 1.308 19516 3765 1 10 . 1 1 531 531 GLU C C 531 178.698 178.698 178.445 0.253 19516 3766 1 10 . 1 1 531 531 GLU CA C 531 59.763 59.763 59.450 0.313 19516 3767 1 10 . 1 1 531 531 GLU CB C 531 27.691 27.691 28.814 -1.123 19516 3768 1 10 . 1 1 531 531 GLU H H 531 9.276 9.276 8.638 0.638 19516 3769 1 10 . 1 1 532 532 GLU N N 532 116.396 116.396 117.700 -1.304 19516 3770 1 10 . 1 1 532 532 GLU HA H 532 3.995 3.995 4.079 -0.084 19516 3771 1 10 . 1 1 532 532 GLU C C 532 178.030 178.030 178.399 -0.369 19516 3772 1 10 . 1 1 532 532 GLU CA C 532 58.903 58.903 58.689 0.214 19516 3773 1 10 . 1 1 532 532 GLU CB C 532 29.666 29.666 29.494 0.172 19516 3774 1 10 . 1 1 532 532 GLU H H 532 7.003 7.003 7.538 -0.535 19516 3775 1 10 . 1 1 533 533 THR N N 533 107.227 107.227 113.113 -5.886 19516 3776 1 10 . 1 1 533 533 THR HA H 533 4.328 4.328 4.172 0.156 19516 3777 1 10 . 1 1 533 533 THR C C 533 176.559 176.559 175.893 0.666 19516 3778 1 10 . 1 1 533 533 THR CA C 533 63.112 63.112 64.417 -1.305 19516 3779 1 10 . 1 1 533 533 THR CB C 533 71.513 71.513 69.624 1.889 19516 3780 1 10 . 1 1 533 533 THR H H 533 7.611 7.611 7.683 -0.072 19516 3781 1 10 . 1 1 534 534 GLY N N 534 106.448 106.448 107.488 -1.040 19516 3782 1 10 . 1 1 534 534 GLY C C 534 174.199 174.199 175.030 -0.831 19516 3783 1 10 . 1 1 534 534 GLY CA C 534 45.527 45.527 45.210 0.317 19516 3784 1 10 . 1 1 534 534 GLY H H 534 7.618 7.618 8.708 -1.090 19516 3785 1 10 . 1 1 535 535 HIS N N 535 121.292 121.292 123.116 -1.824 19516 3786 1 10 . 1 1 535 535 HIS HA H 535 4.909 4.909 4.587 0.322 19516 3787 1 10 . 1 1 535 535 HIS C C 535 172.641 172.641 173.808 -1.167 19516 3788 1 10 . 1 1 535 535 HIS CA C 535 53.806 53.806 56.592 -2.786 19516 3789 1 10 . 1 1 535 535 HIS CB C 535 27.013 27.013 27.634 -0.621 19516 3790 1 10 . 1 1 535 535 HIS H H 535 8.430 8.430 8.343 0.087 19516 3791 1 10 . 1 1 536 536 PHE N N 536 115.908 115.908 116.983 -1.075 19516 3792 1 10 . 1 1 536 536 PHE HA H 536 5.282 5.282 4.905 0.377 19516 3793 1 10 . 1 1 536 536 PHE C C 536 173.438 173.438 173.291 0.147 19516 3794 1 10 . 1 1 536 536 PHE CA C 536 55.736 55.736 56.100 -0.364 19516 3795 1 10 . 1 1 536 536 PHE CB C 536 42.099 42.099 41.636 0.463 19516 3796 1 10 . 1 1 536 536 PHE H H 536 7.173 7.173 7.959 -0.786 19516 3797 1 10 . 1 1 537 537 HIS N N 537 117.767 117.767 119.514 -1.747 19516 3798 1 10 . 1 1 537 537 HIS HA H 537 4.667 4.667 4.653 0.014 19516 3799 1 10 . 1 1 537 537 HIS C C 537 172.182 172.182 172.828 -0.646 19516 3800 1 10 . 1 1 537 537 HIS CA C 537 55.264 55.264 55.577 -0.313 19516 3801 1 10 . 1 1 537 537 HIS CB C 537 32.118 32.118 34.275 -2.157 19516 3802 1 10 . 1 1 537 537 HIS H H 537 9.185 9.185 8.235 0.950 19516 3803 1 10 . 1 1 538 538 ILE N N 538 123.861 123.861 123.197 0.664 19516 3804 1 10 . 1 1 538 538 ILE HA H 538 4.986 4.986 4.516 0.470 19516 3805 1 10 . 1 1 538 538 ILE C C 538 176.686 176.686 174.184 2.502 19516 3806 1 10 . 1 1 538 538 ILE CA C 538 60.271 60.271 60.253 0.018 19516 3807 1 10 . 1 1 538 538 ILE CB C 538 39.400 39.400 41.530 -2.130 19516 3808 1 10 . 1 1 538 538 ILE H H 538 8.649 8.649 7.725 0.924 19516 3809 1 10 . 1 1 539 539 THR N N 539 119.438 119.438 121.141 -1.703 19516 3810 1 10 . 1 1 539 539 THR HA H 539 4.726 4.726 4.666 0.060 19516 3811 1 10 . 1 1 539 539 THR C C 539 173.788 173.788 173.769 0.019 19516 3812 1 10 . 1 1 539 539 THR CA C 539 60.256 60.256 59.961 0.295 19516 3813 1 10 . 1 1 539 539 THR CB C 539 70.391 70.391 71.066 -0.675 19516 3814 1 10 . 1 1 539 539 THR H H 539 9.118 9.118 8.379 0.739 19516 3815 1 10 . 1 1 540 540 ASN N N 540 114.191 114.191 121.074 -6.883 19516 3816 1 10 . 1 1 540 540 ASN HA H 540 4.542 4.542 4.437 0.105 19516 3817 1 10 . 1 1 540 540 ASN C C 540 176.815 176.815 174.149 2.666 19516 3818 1 10 . 1 1 540 540 ASN CA C 540 56.202 56.202 55.289 0.913 19516 3819 1 10 . 1 1 540 540 ASN CB C 540 38.371 38.371 37.349 1.022 19516 3820 1 10 . 1 1 540 540 ASN H H 540 8.569 8.569 8.680 -0.111 19516 3821 1 10 . 1 1 541 541 THR N N 541 102.711 102.711 111.392 -8.681 19516 3822 1 10 . 1 1 541 541 THR HA H 541 4.688 4.688 4.804 -0.116 19516 3823 1 10 . 1 1 541 541 THR C C 541 175.793 175.793 173.209 2.584 19516 3824 1 10 . 1 1 541 541 THR CA C 541 61.897 61.897 61.573 0.324 19516 3825 1 10 . 1 1 541 541 THR CB C 541 71.614 71.614 69.660 1.954 19516 3826 1 10 . 1 1 541 541 THR H H 541 7.913 7.913 8.008 -0.095 19516 3827 1 10 . 1 1 542 542 THR N N 542 115.756 115.756 115.870 -0.114 19516 3828 1 10 . 1 1 542 542 THR HA H 542 5.196 5.196 4.517 0.679 19516 3829 1 10 . 1 1 542 542 THR C C 542 170.174 170.174 172.358 -2.184 19516 3830 1 10 . 1 1 542 542 THR CA C 542 61.241 61.241 62.065 -0.824 19516 3831 1 10 . 1 1 542 542 THR CB C 542 72.559 72.559 70.578 1.981 19516 3832 1 10 . 1 1 542 542 THR H H 542 8.164 8.164 8.118 0.046 19516 3833 1 10 . 1 1 543 543 PHE N N 543 122.724 122.724 124.005 -1.281 19516 3834 1 10 . 1 1 543 543 PHE HA H 543 4.754 4.754 4.872 -0.118 19516 3835 1 10 . 1 1 543 543 PHE C C 543 173.268 173.268 174.226 -0.958 19516 3836 1 10 . 1 1 543 543 PHE CA C 543 57.809 57.809 57.096 0.713 19516 3837 1 10 . 1 1 543 543 PHE CB C 543 41.077 41.077 40.926 0.151 19516 3838 1 10 . 1 1 543 543 PHE H H 543 9.363 9.363 8.607 0.756 19516 3839 1 10 . 1 1 544 544 ASP N N 544 128.063 128.063 126.180 1.883 19516 3840 1 10 . 1 1 544 544 ASP HA H 544 6.057 6.057 4.951 1.106 19516 3841 1 10 . 1 1 544 544 ASP C C 544 175.674 175.674 174.084 1.590 19516 3842 1 10 . 1 1 544 544 ASP CA C 544 52.913 52.913 53.108 -0.195 19516 3843 1 10 . 1 1 544 544 ASP CB C 544 42.879 42.879 42.624 0.255 19516 3844 1 10 . 1 1 544 544 ASP H H 544 8.751 8.751 7.988 0.763 19516 3845 1 10 . 1 1 545 545 PHE N N 545 114.137 114.137 116.407 -2.270 19516 3846 1 10 . 1 1 545 545 PHE HA H 545 4.925 4.925 4.803 0.122 19516 3847 1 10 . 1 1 545 545 PHE C C 545 171.897 171.897 173.812 -1.915 19516 3848 1 10 . 1 1 545 545 PHE CA C 545 56.380 56.380 56.719 -0.339 19516 3849 1 10 . 1 1 545 545 PHE CB C 545 41.371 41.371 41.036 0.335 19516 3850 1 10 . 1 1 545 545 PHE H H 545 8.662 8.662 7.915 0.747 19516 3851 1 10 . 1 1 546 546 ASP N N 546 121.001 121.001 122.722 -1.721 19516 3852 1 10 . 1 1 546 546 ASP HA H 546 5.019 5.019 4.880 0.139 19516 3853 1 10 . 1 1 546 546 ASP C C 546 178.950 178.950 176.617 2.333 19516 3854 1 10 . 1 1 546 546 ASP CA C 546 52.045 52.045 53.257 -1.212 19516 3855 1 10 . 1 1 546 546 ASP CB C 546 43.129 43.129 42.838 0.291 19516 3856 1 10 . 1 1 546 546 ASP H H 546 9.219 9.219 8.762 0.457 19516 3857 1 10 . 1 1 547 547 LEU N N 547 126.156 126.156 121.940 4.216 19516 3858 1 10 . 1 1 547 547 LEU HA H 547 4.104 4.104 4.423 -0.319 19516 3859 1 10 . 1 1 547 547 LEU C C 547 178.679 178.679 178.546 0.133 19516 3860 1 10 . 1 1 547 547 LEU CA C 547 58.272 58.272 56.794 1.478 19516 3861 1 10 . 1 1 547 547 LEU CB C 547 43.101 43.101 41.636 1.464 19516 3862 1 10 . 1 1 547 547 LEU H H 547 8.623 8.623 8.757 -0.134 19516 3863 1 10 . 1 1 548 548 CYS N N 548 113.743 113.743 116.771 -3.028 19516 3864 1 10 . 1 1 548 548 CYS HA H 548 4.021 4.021 4.426 -0.405 19516 3865 1 10 . 1 1 548 548 CYS C C 548 174.884 174.884 175.645 -0.761 19516 3866 1 10 . 1 1 548 548 CYS CA C 548 61.823 61.823 59.688 2.135 19516 3867 1 10 . 1 1 548 548 CYS CB C 548 27.228 27.228 26.277 0.951 19516 3868 1 10 . 1 1 548 548 CYS H H 548 8.820 8.820 8.004 0.816 19516 3869 1 10 . 1 1 549 549 SER N N 549 113.613 113.613 115.276 -1.663 19516 3870 1 10 . 1 1 549 549 SER HA H 549 4.456 4.456 4.354 0.102 19516 3871 1 10 . 1 1 549 549 SER C C 549 173.519 173.519 174.297 -0.778 19516 3872 1 10 . 1 1 549 549 SER CA C 549 58.515 58.515 57.805 0.710 19516 3873 1 10 . 1 1 549 549 SER CB C 549 64.459 64.459 63.019 1.440 19516 3874 1 10 . 1 1 549 549 SER H H 549 7.720 7.720 7.457 0.263 19516 3875 1 10 . 1 1 550 550 LEU N N 550 118.126 118.126 122.699 -4.573 19516 3876 1 10 . 1 1 550 550 LEU HA H 550 4.471 4.471 4.327 0.144 19516 3877 1 10 . 1 1 550 550 LEU C C 550 176.903 176.903 176.236 0.667 19516 3878 1 10 . 1 1 550 550 LEU CA C 550 53.498 53.498 55.043 -1.545 19516 3879 1 10 . 1 1 550 550 LEU CB C 550 43.619 43.619 42.711 0.908 19516 3880 1 10 . 1 1 550 550 LEU H H 550 6.779 6.779 7.163 -0.384 19516 3881 1 10 . 1 1 551 551 ASP N N 551 121.893 121.893 121.696 0.197 19516 3882 1 10 . 1 1 551 551 ASP HA H 551 4.665 4.665 4.715 -0.050 19516 3883 1 10 . 1 1 551 551 ASP C C 551 176.382 176.382 177.400 -1.018 19516 3884 1 10 . 1 1 551 551 ASP CA C 551 53.535 53.535 53.263 0.272 19516 3885 1 10 . 1 1 551 551 ASP CB C 551 42.051 42.051 42.268 -0.217 19516 3886 1 10 . 1 1 551 551 ASP H H 551 9.082 9.082 8.412 0.670 19516 3887 1 10 . 1 1 552 552 LYS N N 552 121.414 121.414 122.647 -1.233 19516 3888 1 10 . 1 1 552 552 LYS HA H 552 4.149 4.149 4.007 0.142 19516 3889 1 10 . 1 1 552 552 LYS C C 552 179.021 179.021 178.571 0.450 19516 3890 1 10 . 1 1 552 552 LYS CA C 552 60.233 60.233 60.451 -0.218 19516 3891 1 10 . 1 1 552 552 LYS CB C 552 32.495 32.495 31.787 0.708 19516 3892 1 10 . 1 1 552 552 LYS H H 552 8.601 8.601 8.814 -0.213 19516 3893 1 10 . 1 1 553 553 THR N N 553 113.449 113.449 112.425 1.024 19516 3894 1 10 . 1 1 553 553 THR HA H 553 3.910 3.910 4.204 -0.294 19516 3895 1 10 . 1 1 553 553 THR C C 553 177.036 177.036 176.797 0.239 19516 3896 1 10 . 1 1 553 553 THR CA C 553 66.065 66.065 65.962 0.103 19516 3897 1 10 . 1 1 553 553 THR CB C 553 68.436 68.436 68.187 0.249 19516 3898 1 10 . 1 1 553 553 THR H H 553 8.244 8.244 8.309 -0.065 19516 3899 1 10 . 1 1 554 554 THR N N 554 120.799 120.799 118.457 2.342 19516 3900 1 10 . 1 1 554 554 THR HA H 554 3.828 3.828 4.303 -0.475 19516 3901 1 10 . 1 1 554 554 THR C C 554 176.156 176.156 175.966 0.190 19516 3902 1 10 . 1 1 554 554 THR CA C 554 66.779 66.779 65.595 1.184 19516 3903 1 10 . 1 1 554 554 THR CB C 554 67.976 67.976 68.408 -0.432 19516 3904 1 10 . 1 1 554 554 THR H H 554 7.862 7.862 8.113 -0.251 19516 3905 1 10 . 1 1 555 555 VAL N N 555 122.618 122.618 122.961 -0.343 19516 3906 1 10 . 1 1 555 555 VAL HA H 555 3.366 3.366 3.655 -0.289 19516 3907 1 10 . 1 1 555 555 VAL C C 555 177.296 177.296 177.456 -0.160 19516 3908 1 10 . 1 1 555 555 VAL CA C 555 68.041 68.041 66.842 1.199 19516 3909 1 10 . 1 1 555 555 VAL CB C 555 31.715 31.715 31.130 0.585 19516 3910 1 10 . 1 1 555 555 VAL H H 555 7.970 7.970 8.753 -0.783 19516 3911 1 10 . 1 1 556 556 ARG N N 556 118.700 118.700 118.196 0.504 19516 3912 1 10 . 1 1 556 556 ARG HA H 556 4.420 4.420 4.179 0.241 19516 3913 1 10 . 1 1 556 556 ARG C C 556 180.076 180.076 179.088 0.988 19516 3914 1 10 . 1 1 556 556 ARG CA C 556 58.628 58.628 58.624 0.004 19516 3915 1 10 . 1 1 556 556 ARG CB C 556 29.147 29.147 29.790 -0.643 19516 3916 1 10 . 1 1 556 556 ARG H H 556 8.342 8.342 7.635 0.707 19516 3917 1 10 . 1 1 557 557 LYS N N 557 120.947 120.947 119.960 0.987 19516 3918 1 10 . 1 1 557 557 LYS HA H 557 3.913 3.913 4.042 -0.129 19516 3919 1 10 . 1 1 557 557 LYS C C 557 178.774 178.774 178.767 0.007 19516 3920 1 10 . 1 1 557 557 LYS CA C 557 59.270 59.270 58.978 0.291 19516 3921 1 10 . 1 1 557 557 LYS CB C 557 32.075 32.075 32.397 -0.322 19516 3922 1 10 . 1 1 557 557 LYS H H 557 7.670 7.670 7.414 0.256 19516 3923 1 10 . 1 1 558 558 LEU N N 558 120.582 120.582 122.227 -1.645 19516 3924 1 10 . 1 1 558 558 LEU HA H 558 3.704 3.704 4.261 -0.557 19516 3925 1 10 . 1 1 558 558 LEU C C 558 178.702 178.702 178.387 0.315 19516 3926 1 10 . 1 1 558 558 LEU CA C 558 58.682 58.682 58.129 0.553 19516 3927 1 10 . 1 1 558 558 LEU CB C 558 42.744 42.744 41.363 1.381 19516 3928 1 10 . 1 1 558 558 LEU H H 558 8.166 8.166 8.207 -0.041 19516 3929 1 10 . 1 1 559 559 GLN N N 559 115.514 115.514 116.477 -0.963 19516 3930 1 10 . 1 1 559 559 GLN HA H 559 3.869 3.869 3.894 -0.025 19516 3931 1 10 . 1 1 559 559 GLN C C 559 179.502 179.502 178.583 0.919 19516 3932 1 10 . 1 1 559 559 GLN CA C 559 59.568 59.568 58.964 0.604 19516 3933 1 10 . 1 1 559 559 GLN CB C 559 28.527 28.527 28.193 0.334 19516 3934 1 10 . 1 1 559 559 GLN H H 559 8.441 8.441 8.233 0.208 19516 3935 1 10 . 1 1 560 560 SER N N 560 115.703 115.703 115.734 -0.031 19516 3936 1 10 . 1 1 560 560 SER HA H 560 4.310 4.310 4.141 0.169 19516 3937 1 10 . 1 1 560 560 SER C C 560 176.997 176.997 176.244 0.753 19516 3938 1 10 . 1 1 560 560 SER CA C 560 61.535 61.535 61.518 0.017 19516 3939 1 10 . 1 1 560 560 SER CB C 560 62.810 62.810 62.817 -0.007 19516 3940 1 10 . 1 1 560 560 SER H H 560 7.883 7.883 7.487 0.396 19516 3941 1 10 . 1 1 561 561 TYR N N 561 121.470 121.470 121.937 -0.467 19516 3942 1 10 . 1 1 561 561 TYR HA H 561 4.667 4.667 4.282 0.385 19516 3943 1 10 . 1 1 561 561 TYR C C 561 178.019 178.019 178.791 -0.772 19516 3944 1 10 . 1 1 561 561 TYR CA C 561 57.854 57.854 61.419 -3.565 19516 3945 1 10 . 1 1 561 561 TYR CB C 561 36.842 36.842 38.034 -1.192 19516 3946 1 10 . 1 1 561 561 TYR H H 561 7.856 7.856 7.726 0.130 19516 3947 1 10 . 1 1 562 562 LEU N N 562 117.382 117.382 118.139 -0.757 19516 3948 1 10 . 1 1 562 562 LEU HA H 562 4.233 4.233 3.856 0.377 19516 3949 1 10 . 1 1 562 562 LEU C C 562 178.086 178.086 178.688 -0.602 19516 3950 1 10 . 1 1 562 562 LEU CA C 562 55.989 55.989 57.986 -1.997 19516 3951 1 10 . 1 1 562 562 LEU CB C 562 41.606 41.606 41.479 0.127 19516 3952 1 10 . 1 1 562 562 LEU H H 562 7.618 7.618 7.820 -0.202 19516 3953 1 10 . 1 1 563 563 GLU N N 563 119.602 119.602 117.707 1.895 19516 3954 1 10 . 1 1 563 563 GLU HA H 563 4.313 4.313 4.087 0.226 19516 3955 1 10 . 1 1 563 563 GLU C C 563 177.407 177.407 177.233 0.174 19516 3956 1 10 . 1 1 563 563 GLU CA C 563 57.577 57.577 58.287 -0.710 19516 3957 1 10 . 1 1 563 563 GLU CB C 563 30.072 30.072 29.896 0.176 19516 3958 1 10 . 1 1 563 563 GLU H H 563 7.724 7.724 7.640 0.084 19516 3959 1 10 . 1 1 564 564 THR N N 564 112.400 112.400 113.135 -0.735 19516 3960 1 10 . 1 1 564 564 THR HA H 564 4.416 4.416 4.044 0.372 19516 3961 1 10 . 1 1 564 564 THR C C 564 174.998 174.998 174.978 0.020 19516 3962 1 10 . 1 1 564 564 THR CA C 564 62.021 62.021 63.938 -1.917 19516 3963 1 10 . 1 1 564 564 THR CB C 564 69.690 69.690 69.261 0.429 19516 3964 1 10 . 1 1 564 564 THR H H 564 8.019 8.019 8.149 -0.130 19516 3965 1 10 . 1 1 565 565 SER N N 565 117.680 117.680 114.761 2.919 19516 3966 1 10 . 1 1 565 565 SER HA H 565 4.463 4.463 4.040 0.423 19516 3967 1 10 . 1 1 565 565 SER C C 565 175.109 175.109 174.547 0.562 19516 3968 1 10 . 1 1 565 565 SER CA C 565 58.814 58.814 59.604 -0.790 19516 3969 1 10 . 1 1 565 565 SER CB C 565 63.945 63.945 61.906 2.039 19516 3970 1 10 . 1 1 565 565 SER H H 565 8.136 8.136 8.661 -0.525 19516 3971 1 10 . 1 1 566 566 GLY N N 566 111.023 111.023 107.866 3.157 19516 3972 1 10 . 1 1 566 566 GLY C C 566 174.384 174.384 174.648 -0.264 19516 3973 1 10 . 1 1 566 566 GLY CA C 566 45.575 45.575 45.499 0.076 19516 3974 1 10 . 1 1 566 566 GLY H H 566 8.510 8.510 8.177 0.333 19516 3975 1 10 . 1 1 567 567 THR N N 567 113.077 113.077 113.709 -0.632 19516 3976 1 10 . 1 1 567 567 THR HA H 567 4.405 4.405 4.286 0.119 19516 3977 1 10 . 1 1 567 567 THR C C 567 173.995 173.995 175.291 -1.296 19516 3978 1 10 . 1 1 567 567 THR CA C 567 61.713 61.713 61.939 -0.226 19516 3979 1 10 . 1 1 567 567 THR CB C 567 70.013 70.013 69.527 0.486 19516 3980 1 10 . 1 1 567 567 THR H H 567 8.061 8.061 7.492 0.569 19516 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 67 2.411 0.430 2.390 19516 2 1 1 "Average Difference" HA 69 0.307 -0.046 0.306 19516 3 1 1 "Average Difference" C 67 1.094 -0.154 1.091 19516 4 1 1 "Average Difference" CA 67 1.045 -0.024 1.053 19516 5 1 1 "Average Difference" CB 65 1.034 -0.251 1.011 19516 6 1 1 "Average Difference" HN 67 0.496 -0.088 0.492 19516 7 1 2 "Average Difference" N 67 2.414 0.203 2.424 19516 8 1 2 "Average Difference" HA 69 0.315 -0.069 0.310 19516 9 1 2 "Average Difference" C 67 1.051 -0.189 1.042 19516 10 1 2 "Average Difference" CA 67 1.058 0.036 1.065 19516 11 1 2 "Average Difference" CB 65 1.010 -0.268 0.981 19516 12 1 2 "Average Difference" HN 67 0.513 -0.131 0.499 19516 13 1 3 "Average Difference" N 67 2.601 0.443 2.583 19516 14 1 3 "Average Difference" HA 69 0.299 -0.051 0.296 19516 15 1 3 "Average Difference" C 67 1.084 -0.204 1.072 19516 16 1 3 "Average Difference" CA 67 1.035 -0.022 1.043 19516 17 1 3 "Average Difference" CB 65 0.998 -0.220 0.981 19516 18 1 3 "Average Difference" HN 67 0.507 -0.074 0.505 19516 19 1 4 "Average Difference" N 67 2.544 0.387 2.534 19516 20 1 4 "Average Difference" HA 69 0.317 -0.051 0.315 19516 21 1 4 "Average Difference" C 67 1.056 -0.223 1.040 19516 22 1 4 "Average Difference" CA 67 1.097 -0.072 1.103 19516 23 1 4 "Average Difference" CB 65 1.038 -0.205 1.026 19516 24 1 4 "Average Difference" HN 67 0.527 -0.081 0.525 19516 25 1 5 "Average Difference" N 67 2.922 0.614 2.878 19516 26 1 5 "Average Difference" HA 69 0.285 -0.055 0.282 19516 27 1 5 "Average Difference" C 67 1.053 -0.215 1.039 19516 28 1 5 "Average Difference" CA 67 0.995 -0.082 0.999 19516 29 1 5 "Average Difference" CB 65 0.967 -0.238 0.945 19516 30 1 5 "Average Difference" HN 67 0.492 -0.101 0.485 19516 31 1 6 "Average Difference" N 67 2.658 0.521 2.626 19516 32 1 6 "Average Difference" HA 69 0.275 -0.041 0.273 19516 33 1 6 "Average Difference" C 67 1.062 -0.183 1.054 19516 34 1 6 "Average Difference" CA 67 0.996 -0.053 1.002 19516 35 1 6 "Average Difference" CB 65 0.925 -0.287 0.886 19516 36 1 6 "Average Difference" HN 67 0.501 -0.069 0.500 19516 37 1 7 "Average Difference" N 67 2.741 0.616 2.691 19516 38 1 7 "Average Difference" HA 69 0.295 -0.056 0.292 19516 39 1 7 "Average Difference" C 67 1.067 -0.125 1.067 19516 40 1 7 "Average Difference" CA 67 1.126 -0.101 1.130 19516 41 1 7 "Average Difference" CB 65 1.025 -0.251 1.002 19516 42 1 7 "Average Difference" HN 67 0.482 -0.125 0.469 19516 43 1 8 "Average Difference" N 67 2.268 0.287 2.266 19516 44 1 8 "Average Difference" HA 69 0.302 -0.058 0.299 19516 45 1 8 "Average Difference" C 67 1.054 -0.204 1.042 19516 46 1 8 "Average Difference" CA 67 1.060 -0.104 1.063 19516 47 1 8 "Average Difference" CB 65 0.993 -0.201 0.980 19516 48 1 8 "Average Difference" HN 67 0.502 -0.089 0.498 19516 49 1 9 "Average Difference" N 67 2.973 0.583 2.937 19516 50 1 9 "Average Difference" HA 69 0.282 -0.052 0.279 19516 51 1 9 "Average Difference" C 67 1.105 -0.273 1.079 19516 52 1 9 "Average Difference" CA 67 1.054 -0.108 1.057 19516 53 1 9 "Average Difference" CB 65 1.017 -0.116 1.018 19516 54 1 9 "Average Difference" HN 67 0.454 -0.072 0.452 19516 55 1 10 "Average Difference" N 67 2.335 0.412 2.315 19516 56 1 10 "Average Difference" HA 69 0.318 -0.083 0.309 19516 57 1 10 "Average Difference" C 67 1.067 -0.151 1.064 19516 58 1 10 "Average Difference" CA 67 1.098 0.069 1.104 19516 59 1 10 "Average Difference" CB 65 1.016 -0.200 1.004 19516 60 1 10 "Average Difference" HN 67 0.567 -0.101 0.562 19516 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 19516 _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 1 501 501 LYS N N 501 125.415 125.415 120.498 4.917 19516 2 1 . 1 1 501 501 LYS HA H 501 4.007 4.007 4.300 -0.293 19516 3 1 . 1 1 501 501 LYS C C 501 177.113 177.113 177.945 -0.832 19516 4 1 . 1 1 501 501 LYS CA C 501 59.115 59.115 57.027 2.087 19516 5 1 . 1 1 501 501 LYS CB C 501 32.793 32.793 32.533 0.260 19516 6 1 . 1 1 501 501 LYS H H 501 8.677 8.677 8.457 0.220 19516 7 1 . 1 1 502 502 ALA N N 502 120.718 120.718 123.082 -2.364 19516 8 1 . 1 1 502 502 ALA HA H 502 4.240 4.240 4.208 0.032 19516 9 1 . 1 1 502 502 ALA C C 502 180.345 180.345 178.906 1.439 19516 10 1 . 1 1 502 502 ALA CA C 502 54.738 54.738 54.570 0.168 19516 11 1 . 1 1 502 502 ALA CB C 502 18.172 18.172 18.287 -0.115 19516 12 1 . 1 1 502 502 ALA H H 502 8.382 8.382 8.107 0.275 19516 13 1 . 1 1 503 503 TYR N N 503 120.200 120.200 120.117 0.083 19516 14 1 . 1 1 503 503 TYR HA H 503 4.543 4.543 4.142 0.401 19516 15 1 . 1 1 503 503 TYR C C 503 177.235 177.235 177.733 -0.498 19516 16 1 . 1 1 503 503 TYR CA C 503 60.020 60.020 61.372 -1.352 19516 17 1 . 1 1 503 503 TYR CB C 503 38.707 38.707 38.282 0.425 19516 18 1 . 1 1 503 503 TYR H H 503 7.817 7.817 8.058 -0.241 19516 19 1 . 1 1 504 504 LEU N N 504 120.133 120.133 118.189 1.944 19516 20 1 . 1 1 504 504 LEU HA H 504 3.857 3.857 3.766 0.091 19516 21 1 . 1 1 504 504 LEU C C 504 178.616 178.616 178.996 -0.380 19516 22 1 . 1 1 504 504 LEU CA C 504 58.200 58.200 58.429 -0.229 19516 23 1 . 1 1 504 504 LEU CB C 504 41.066 41.066 41.344 -0.278 19516 24 1 . 1 1 504 504 LEU H H 504 8.175 8.175 8.223 -0.048 19516 25 1 . 1 1 505 505 ASP N N 505 117.709 117.709 118.361 -0.652 19516 26 1 . 1 1 505 505 ASP HA H 505 4.307 4.307 4.222 0.085 19516 27 1 . 1 1 505 505 ASP C C 505 179.849 179.849 178.346 1.503 19516 28 1 . 1 1 505 505 ASP CA C 505 57.578 57.578 57.599 -0.021 19516 29 1 . 1 1 505 505 ASP CB C 505 39.811 39.811 40.524 -0.713 19516 30 1 . 1 1 505 505 ASP H H 505 8.308 8.308 7.904 0.404 19516 31 1 . 1 1 506 506 GLU N N 506 121.244 121.244 118.079 3.164 19516 32 1 . 1 1 506 506 GLU HA H 506 4.038 4.038 4.079 -0.041 19516 33 1 . 1 1 506 506 GLU C C 506 179.957 179.957 179.012 0.945 19516 34 1 . 1 1 506 506 GLU CA C 506 59.786 59.786 58.656 1.130 19516 35 1 . 1 1 506 506 GLU CB C 506 29.644 29.644 29.328 0.316 19516 36 1 . 1 1 506 506 GLU H H 506 7.657 7.657 7.938 -0.281 19516 37 1 . 1 1 507 507 LEU N N 507 121.550 121.550 119.403 2.147 19516 38 1 . 1 1 507 507 LEU HA H 507 3.860 3.860 4.140 -0.281 19516 39 1 . 1 1 507 507 LEU C C 507 178.973 178.973 178.721 0.252 19516 40 1 . 1 1 507 507 LEU CA C 507 57.925 57.925 57.257 0.668 19516 41 1 . 1 1 507 507 LEU CB C 507 41.882 41.882 41.770 0.113 19516 42 1 . 1 1 507 507 LEU H H 507 8.255 8.255 7.944 0.310 19516 43 1 . 1 1 508 508 VAL N N 508 121.174 121.174 121.144 0.030 19516 44 1 . 1 1 508 508 VAL HA H 508 3.522 3.522 3.519 0.003 19516 45 1 . 1 1 508 508 VAL C C 508 178.831 178.831 178.068 0.763 19516 46 1 . 1 1 508 508 VAL CA C 508 67.098 67.098 67.544 -0.446 19516 47 1 . 1 1 508 508 VAL CB C 508 31.988 31.988 31.188 0.800 19516 48 1 . 1 1 508 508 VAL H H 508 8.679 8.679 8.411 0.268 19516 49 1 . 1 1 509 509 GLU N N 509 120.516 120.516 119.259 1.257 19516 50 1 . 1 1 509 509 GLU HA H 509 4.286 4.286 3.936 0.350 19516 51 1 . 1 1 509 509 GLU C C 509 178.354 178.354 179.165 -0.811 19516 52 1 . 1 1 509 509 GLU CA C 509 58.837 58.837 59.740 -0.904 19516 53 1 . 1 1 509 509 GLU CB C 509 28.859 28.859 29.344 -0.485 19516 54 1 . 1 1 509 509 GLU H H 509 7.534 7.534 7.926 -0.392 19516 55 1 . 1 1 510 510 LEU N N 510 121.442 121.442 119.804 1.638 19516 56 1 . 1 1 510 510 LEU HA H 510 4.141 4.141 3.977 0.164 19516 57 1 . 1 1 510 510 LEU C C 510 177.961 177.961 178.723 -0.762 19516 58 1 . 1 1 510 510 LEU CA C 510 57.722 57.722 58.271 -0.549 19516 59 1 . 1 1 510 510 LEU CB C 510 41.776 41.776 41.589 0.187 19516 60 1 . 1 1 510 510 LEU H H 510 8.018 8.018 7.555 0.463 19516 61 1 . 1 1 511 511 HIS N N 511 119.858 119.858 118.748 1.110 19516 62 1 . 1 1 511 511 HIS HA H 511 3.708 3.708 4.037 -0.329 19516 63 1 . 1 1 511 511 HIS C C 511 176.325 176.325 177.256 -0.931 19516 64 1 . 1 1 511 511 HIS CA C 511 62.252 62.252 60.518 1.734 19516 65 1 . 1 1 511 511 HIS CB C 511 31.459 31.459 29.947 1.511 19516 66 1 . 1 1 511 511 HIS H H 511 9.028 9.028 8.820 0.208 19516 67 1 . 1 1 512 512 ARG N N 512 117.523 117.523 119.087 -1.564 19516 68 1 . 1 1 512 512 ARG HA H 512 3.859 3.859 3.865 -0.007 19516 69 1 . 1 1 512 512 ARG C C 512 179.801 179.801 178.769 1.032 19516 70 1 . 1 1 512 512 ARG CA C 512 59.584 59.584 59.124 0.460 19516 71 1 . 1 1 512 512 ARG CB C 512 30.154 30.154 29.773 0.381 19516 72 1 . 1 1 512 512 ARG H H 512 7.942 7.942 8.699 -0.757 19516 73 1 . 1 1 513 513 ARG N N 513 117.870 117.870 119.541 -1.671 19516 74 1 . 1 1 513 513 ARG HA H 513 4.041 4.041 4.035 0.006 19516 75 1 . 1 1 513 513 ARG C C 513 179.852 179.852 179.069 0.784 19516 76 1 . 1 1 513 513 ARG CA C 513 58.766 58.766 59.270 -0.504 19516 77 1 . 1 1 513 513 ARG CB C 513 30.582 30.582 29.901 0.681 19516 78 1 . 1 1 513 513 ARG H H 513 7.845 7.845 8.213 -0.368 19516 79 1 . 1 1 514 514 LEU N N 514 119.343 119.343 120.012 -0.669 19516 80 1 . 1 1 514 514 LEU HA H 514 4.031 4.031 3.972 0.059 19516 81 1 . 1 1 514 514 LEU C C 514 178.922 178.922 178.497 0.425 19516 82 1 . 1 1 514 514 LEU CA C 514 57.671 57.671 57.719 -0.048 19516 83 1 . 1 1 514 514 LEU CB C 514 41.926 41.926 41.932 -0.006 19516 84 1 . 1 1 514 514 LEU H H 514 8.753 8.753 8.415 0.338 19516 85 1 . 1 1 515 515 MET N N 515 115.167 115.167 116.599 -1.432 19516 86 1 . 1 1 515 515 MET HA H 515 4.397 4.397 4.086 0.311 19516 87 1 . 1 1 515 515 MET C C 515 177.921 177.921 177.435 0.486 19516 88 1 . 1 1 515 515 MET CA C 515 56.895 56.895 57.779 -0.884 19516 89 1 . 1 1 515 515 MET CB C 515 31.659 31.659 32.923 -1.264 19516 90 1 . 1 1 515 515 MET H H 515 7.810 7.810 8.100 -0.290 19516 91 1 . 1 1 516 516 THR N N 516 106.551 106.551 109.057 -2.506 19516 92 1 . 1 1 516 516 THR HA H 516 4.441 4.441 4.298 0.143 19516 93 1 . 1 1 516 516 THR C C 516 174.390 174.390 175.202 -0.812 19516 94 1 . 1 1 516 516 THR CA C 516 61.133 61.133 61.990 -0.857 19516 95 1 . 1 1 516 516 THR CB C 516 69.787 69.787 69.566 0.221 19516 96 1 . 1 1 516 516 THR H H 516 7.269 7.269 7.473 -0.205 19516 97 1 . 1 1 517 517 LEU N N 517 123.805 123.805 123.759 0.046 19516 98 1 . 1 1 517 517 LEU HA H 517 4.283 4.283 4.212 0.071 19516 99 1 . 1 1 517 517 LEU C C 517 177.241 177.241 176.214 1.027 19516 100 1 . 1 1 517 517 LEU CA C 517 56.137 56.137 55.921 0.216 19516 101 1 . 1 1 517 517 LEU CB C 517 42.974 42.974 42.594 0.380 19516 102 1 . 1 1 517 517 LEU H H 517 7.036 7.036 7.715 -0.679 19516 103 1 . 1 1 518 518 ARG N N 518 122.669 122.669 124.085 -1.416 19516 104 1 . 1 1 518 518 ARG HA H 518 4.598 4.598 4.382 0.216 19516 105 1 . 1 1 518 518 ARG C C 518 175.915 175.915 175.582 0.334 19516 106 1 . 1 1 518 518 ARG CA C 518 54.831 54.831 55.630 -0.799 19516 107 1 . 1 1 518 518 ARG CB C 518 32.442 32.442 30.772 1.671 19516 108 1 . 1 1 518 518 ARG H H 518 9.040 9.040 8.331 0.709 19516 109 1 . 1 1 519 519 GLU N N 519 121.385 121.385 121.272 0.114 19516 110 1 . 1 1 519 519 GLU HA H 519 4.295 4.295 4.256 0.039 19516 111 1 . 1 1 519 519 GLU C C 519 177.016 177.016 177.180 -0.164 19516 112 1 . 1 1 519 519 GLU CA C 519 57.380 57.380 56.245 1.135 19516 113 1 . 1 1 519 519 GLU CB C 519 30.017 30.017 29.178 0.839 19516 114 1 . 1 1 519 519 GLU H H 519 7.172 7.172 8.199 -1.027 19516 115 1 . 1 1 520 520 ARG N N 520 128.171 128.171 126.624 1.547 19516 116 1 . 1 1 520 520 ARG HA H 520 3.811 3.811 3.934 -0.123 19516 117 1 . 1 1 520 520 ARG C C 520 177.930 177.930 177.742 0.188 19516 118 1 . 1 1 520 520 ARG CA C 520 60.867 60.867 59.166 1.701 19516 119 1 . 1 1 520 520 ARG CB C 520 30.187 30.187 29.864 0.323 19516 120 1 . 1 1 520 520 ARG H H 520 8.918 8.918 8.538 0.380 19516 121 1 . 1 1 521 521 HIS N N 521 116.808 116.808 118.790 -1.982 19516 122 1 . 1 1 521 521 HIS HA H 521 4.402 4.402 4.349 0.053 19516 123 1 . 1 1 521 521 HIS C C 521 177.637 177.637 177.163 0.474 19516 124 1 . 1 1 521 521 HIS CA C 521 59.645 59.645 58.916 0.729 19516 125 1 . 1 1 521 521 HIS CB C 521 28.425 28.425 29.666 -1.241 19516 126 1 . 1 1 521 521 HIS H H 521 9.073 9.073 8.323 0.750 19516 127 1 . 1 1 522 522 ILE N N 522 119.592 119.592 119.418 0.174 19516 128 1 . 1 1 522 522 ILE HA H 522 3.896 3.896 3.834 0.062 19516 129 1 . 1 1 522 522 ILE C C 522 177.866 177.866 177.504 0.362 19516 130 1 . 1 1 522 522 ILE CA C 522 63.397 63.397 62.230 1.167 19516 131 1 . 1 1 522 522 ILE CB C 522 37.650 37.650 37.412 0.238 19516 132 1 . 1 1 522 522 ILE H H 522 7.088 7.088 7.885 -0.797 19516 133 1 . 1 1 523 523 LEU N N 523 119.719 119.719 119.913 -0.194 19516 134 1 . 1 1 523 523 LEU HA H 523 3.819 3.819 3.759 0.060 19516 135 1 . 1 1 523 523 LEU C C 523 178.379 178.379 179.240 -0.861 19516 136 1 . 1 1 523 523 LEU CA C 523 58.386 58.386 58.284 0.102 19516 137 1 . 1 1 523 523 LEU CB C 523 41.318 41.318 40.945 0.373 19516 138 1 . 1 1 523 523 LEU H H 523 7.905 7.905 7.681 0.224 19516 139 1 . 1 1 524 524 GLN N N 524 116.700 116.700 117.224 -0.524 19516 140 1 . 1 1 524 524 GLN HA H 524 3.552 3.552 3.846 -0.294 19516 141 1 . 1 1 524 524 GLN C C 524 177.441 177.441 178.103 -0.662 19516 142 1 . 1 1 524 524 GLN CA C 524 58.259 58.259 58.762 -0.503 19516 143 1 . 1 1 524 524 GLN CB C 524 29.097 29.097 28.392 0.705 19516 144 1 . 1 1 524 524 GLN H H 524 8.265 8.265 7.967 0.298 19516 145 1 . 1 1 525 525 GLN N N 525 117.608 117.608 118.966 -1.358 19516 146 1 . 1 1 525 525 GLN HA H 525 3.777 3.777 3.784 -0.007 19516 147 1 . 1 1 525 525 GLN C C 525 179.278 179.278 178.353 0.925 19516 148 1 . 1 1 525 525 GLN CA C 525 58.986 58.986 58.179 0.807 19516 149 1 . 1 1 525 525 GLN CB C 525 28.545 28.545 27.874 0.671 19516 150 1 . 1 1 525 525 GLN H H 525 7.300 7.300 7.549 -0.248 19516 151 1 . 1 1 526 526 ILE N N 526 119.883 119.883 119.956 -0.073 19516 152 1 . 1 1 526 526 ILE HA H 526 3.434 3.434 3.347 0.087 19516 153 1 . 1 1 526 526 ILE C C 526 176.638 176.638 177.682 -1.044 19516 154 1 . 1 1 526 526 ILE CA C 526 66.116 66.116 65.029 1.087 19516 155 1 . 1 1 526 526 ILE CB C 526 37.581 37.581 37.548 0.033 19516 156 1 . 1 1 526 526 ILE H H 526 8.039 8.039 7.901 0.138 19516 157 1 . 1 1 527 527 VAL N N 527 119.535 119.535 119.403 0.132 19516 158 1 . 1 1 527 527 VAL HA H 527 2.791 2.791 3.004 -0.213 19516 159 1 . 1 1 527 527 VAL C C 527 176.957 176.957 177.569 -0.612 19516 160 1 . 1 1 527 527 VAL CA C 527 66.371 66.371 66.618 -0.246 19516 161 1 . 1 1 527 527 VAL CB C 527 30.623 30.623 30.837 -0.214 19516 162 1 . 1 1 527 527 VAL H H 527 8.052 8.052 7.411 0.641 19516 163 1 . 1 1 528 528 ASN N N 528 117.957 117.957 115.898 2.058 19516 164 1 . 1 1 528 528 ASN HA H 528 4.138 4.138 4.264 -0.127 19516 165 1 . 1 1 528 528 ASN C C 528 178.148 178.148 177.729 0.419 19516 166 1 . 1 1 528 528 ASN CA C 528 55.696 55.696 55.508 0.188 19516 167 1 . 1 1 528 528 ASN CB C 528 37.192 37.192 38.070 -0.878 19516 168 1 . 1 1 528 528 ASN H H 528 8.172 8.172 7.616 0.556 19516 169 1 . 1 1 529 529 LEU N N 529 120.654 120.654 121.473 -0.819 19516 170 1 . 1 1 529 529 LEU HA H 529 4.166 4.166 4.171 -0.005 19516 171 1 . 1 1 529 529 LEU C C 529 178.908 178.908 178.227 0.681 19516 172 1 . 1 1 529 529 LEU CA C 529 57.870 57.870 57.607 0.263 19516 173 1 . 1 1 529 529 LEU CB C 529 42.512 42.512 41.565 0.947 19516 174 1 . 1 1 529 529 LEU H H 529 7.666 7.666 7.797 -0.131 19516 175 1 . 1 1 530 530 ILE N N 530 117.213 117.213 116.104 1.109 19516 176 1 . 1 1 530 530 ILE HA H 530 3.677 3.677 3.918 -0.241 19516 177 1 . 1 1 530 530 ILE C C 530 180.762 180.762 178.182 2.580 19516 178 1 . 1 1 530 530 ILE CA C 530 61.592 61.592 64.207 -2.615 19516 179 1 . 1 1 530 530 ILE CB C 530 34.726 34.726 37.579 -2.853 19516 180 1 . 1 1 530 530 ILE H H 530 8.543 8.543 7.904 0.639 19516 181 1 . 1 1 531 531 GLU N N 531 124.050 124.050 120.867 3.183 19516 182 1 . 1 1 531 531 GLU HA H 531 3.940 3.940 3.621 0.319 19516 183 1 . 1 1 531 531 GLU C C 531 178.698 178.698 178.746 -0.048 19516 184 1 . 1 1 531 531 GLU CA C 531 59.763 59.763 59.610 0.153 19516 185 1 . 1 1 531 531 GLU CB C 531 27.691 27.691 29.052 -1.361 19516 186 1 . 1 1 531 531 GLU H H 531 9.276 9.276 8.468 0.808 19516 187 1 . 1 1 532 532 GLU N N 532 116.396 116.396 117.505 -1.109 19516 188 1 . 1 1 532 532 GLU HA H 532 3.995 3.995 4.134 -0.139 19516 189 1 . 1 1 532 532 GLU C C 532 178.030 178.030 178.510 -0.480 19516 190 1 . 1 1 532 532 GLU CA C 532 58.903 58.903 58.673 0.230 19516 191 1 . 1 1 532 532 GLU CB C 532 29.666 29.666 29.379 0.287 19516 192 1 . 1 1 532 532 GLU H H 532 7.003 7.003 7.731 -0.729 19516 193 1 . 1 1 533 533 THR N N 533 107.227 107.227 111.519 -4.292 19516 194 1 . 1 1 533 533 THR HA H 533 4.328 4.328 4.195 0.133 19516 195 1 . 1 1 533 533 THR C C 533 176.559 176.559 175.882 0.677 19516 196 1 . 1 1 533 533 THR CA C 533 63.112 63.112 63.637 -0.525 19516 197 1 . 1 1 533 533 THR CB C 533 71.513 71.513 69.734 1.779 19516 198 1 . 1 1 533 533 THR H H 533 7.611 7.611 7.778 -0.167 19516 199 1 . 1 1 534 534 GLY N N 534 106.448 106.448 109.272 -2.824 19516 200 1 . 1 1 534 534 GLY C C 534 174.199 174.199 174.197 0.002 19516 201 1 . 1 1 534 534 GLY CA C 534 45.527 45.527 44.992 0.535 19516 202 1 . 1 1 534 534 GLY H H 534 7.618 7.618 8.230 -0.612 19516 203 1 . 1 1 535 535 HIS N N 535 121.292 121.292 121.871 -0.579 19516 204 1 . 1 1 535 535 HIS HA H 535 4.909 4.909 4.536 0.373 19516 205 1 . 1 1 535 535 HIS C C 535 172.641 172.641 173.484 -0.843 19516 206 1 . 1 1 535 535 HIS CA C 535 53.806 53.806 55.420 -1.614 19516 207 1 . 1 1 535 535 HIS CB C 535 27.013 27.013 28.104 -1.091 19516 208 1 . 1 1 535 535 HIS H H 535 8.430 8.430 8.154 0.276 19516 209 1 . 1 1 536 536 PHE N N 536 115.908 115.908 116.572 -0.664 19516 210 1 . 1 1 536 536 PHE HA H 536 5.282 5.282 4.821 0.461 19516 211 1 . 1 1 536 536 PHE C C 536 173.438 173.438 173.633 -0.195 19516 212 1 . 1 1 536 536 PHE CA C 536 55.736 55.736 56.111 -0.375 19516 213 1 . 1 1 536 536 PHE CB C 536 42.099 42.099 41.425 0.674 19516 214 1 . 1 1 536 536 PHE H H 536 7.173 7.173 7.375 -0.202 19516 215 1 . 1 1 537 537 HIS N N 537 117.767 117.767 119.646 -1.879 19516 216 1 . 1 1 537 537 HIS HA H 537 4.667 4.667 4.889 -0.222 19516 217 1 . 1 1 537 537 HIS C C 537 172.182 172.182 173.946 -1.764 19516 218 1 . 1 1 537 537 HIS CA C 537 55.264 55.264 55.208 0.056 19516 219 1 . 1 1 537 537 HIS CB C 537 32.118 32.118 31.416 0.702 19516 220 1 . 1 1 537 537 HIS H H 537 9.185 9.185 8.344 0.841 19516 221 1 . 1 1 538 538 ILE N N 538 123.861 123.861 125.484 -1.623 19516 222 1 . 1 1 538 538 ILE HA H 538 4.986 4.986 4.476 0.510 19516 223 1 . 1 1 538 538 ILE C C 538 176.686 176.686 175.983 0.703 19516 224 1 . 1 1 538 538 ILE CA C 538 60.271 60.271 61.336 -1.065 19516 225 1 . 1 1 538 538 ILE CB C 538 39.400 39.400 39.382 0.018 19516 226 1 . 1 1 538 538 ILE H H 538 8.649 8.649 8.611 0.038 19516 227 1 . 1 1 539 539 THR N N 539 119.438 119.438 121.320 -1.882 19516 228 1 . 1 1 539 539 THR HA H 539 4.726 4.726 4.617 0.109 19516 229 1 . 1 1 539 539 THR C C 539 173.788 173.788 174.494 -0.706 19516 230 1 . 1 1 539 539 THR CA C 539 60.256 60.256 60.650 -0.394 19516 231 1 . 1 1 539 539 THR CB C 539 70.391 70.391 70.552 -0.161 19516 232 1 . 1 1 539 539 THR H H 539 9.118 9.118 8.350 0.768 19516 233 1 . 1 1 540 540 ASN N N 540 114.191 114.191 119.444 -5.253 19516 234 1 . 1 1 540 540 ASN HA H 540 4.542 4.542 4.463 0.079 19516 235 1 . 1 1 540 540 ASN C C 540 176.815 176.815 174.758 2.057 19516 236 1 . 1 1 540 540 ASN CA C 540 56.202 56.202 55.473 0.729 19516 237 1 . 1 1 540 540 ASN CB C 540 38.371 38.371 38.199 0.172 19516 238 1 . 1 1 540 540 ASN H H 540 8.569 8.569 8.774 -0.205 19516 239 1 . 1 1 541 541 THR N N 541 102.711 102.711 114.327 -11.615 19516 240 1 . 1 1 541 541 THR HA H 541 4.688 4.688 4.693 -0.005 19516 241 1 . 1 1 541 541 THR C C 541 175.793 175.793 173.148 2.645 19516 242 1 . 1 1 541 541 THR CA C 541 61.897 61.897 62.054 -0.157 19516 243 1 . 1 1 541 541 THR CB C 541 71.614 71.614 69.288 2.326 19516 244 1 . 1 1 541 541 THR H H 541 7.913 7.913 8.188 -0.275 19516 245 1 . 1 1 542 542 THR N N 542 115.756 115.756 116.061 -0.305 19516 246 1 . 1 1 542 542 THR HA H 542 5.196 5.196 4.523 0.673 19516 247 1 . 1 1 542 542 THR C C 542 170.174 170.174 172.314 -2.141 19516 248 1 . 1 1 542 542 THR CA C 542 61.241 61.241 62.001 -0.760 19516 249 1 . 1 1 542 542 THR CB C 542 72.559 72.559 70.456 2.103 19516 250 1 . 1 1 542 542 THR H H 542 8.164 8.164 8.122 0.041 19516 251 1 . 1 1 543 543 PHE N N 543 122.724 122.724 122.742 -0.018 19516 252 1 . 1 1 543 543 PHE HA H 543 4.754 4.754 4.852 -0.098 19516 253 1 . 1 1 543 543 PHE C C 543 173.268 173.268 173.935 -0.667 19516 254 1 . 1 1 543 543 PHE CA C 543 57.809 57.809 57.078 0.731 19516 255 1 . 1 1 543 543 PHE CB C 543 41.077 41.077 40.565 0.512 19516 256 1 . 1 1 543 543 PHE H H 543 9.363 9.363 8.538 0.825 19516 257 1 . 1 1 544 544 ASP N N 544 128.063 128.063 127.956 0.107 19516 258 1 . 1 1 544 544 ASP HA H 544 6.057 6.057 4.924 1.133 19516 259 1 . 1 1 544 544 ASP C C 544 175.674 175.674 174.129 1.545 19516 260 1 . 1 1 544 544 ASP CA C 544 52.913 52.913 53.054 -0.141 19516 261 1 . 1 1 544 544 ASP CB C 544 42.879 42.879 42.978 -0.098 19516 262 1 . 1 1 544 544 ASP H H 544 8.751 8.751 8.120 0.630 19516 263 1 . 1 1 545 545 PHE N N 545 114.137 114.137 117.177 -3.040 19516 264 1 . 1 1 545 545 PHE HA H 545 4.925 4.925 4.809 0.116 19516 265 1 . 1 1 545 545 PHE C C 545 171.897 171.897 173.554 -1.657 19516 266 1 . 1 1 545 545 PHE CA C 545 56.380 56.380 56.482 -0.102 19516 267 1 . 1 1 545 545 PHE CB C 545 41.371 41.371 41.389 -0.018 19516 268 1 . 1 1 545 545 PHE H H 545 8.662 8.662 7.952 0.711 19516 269 1 . 1 1 546 546 ASP N N 546 121.001 121.001 122.089 -1.088 19516 270 1 . 1 1 546 546 ASP HA H 546 5.019 5.019 4.815 0.204 19516 271 1 . 1 1 546 546 ASP C C 546 178.950 178.950 176.576 2.374 19516 272 1 . 1 1 546 546 ASP CA C 546 52.045 52.045 53.083 -1.038 19516 273 1 . 1 1 546 546 ASP CB C 546 43.129 43.129 42.760 0.369 19516 274 1 . 1 1 546 546 ASP H H 546 9.219 9.219 8.669 0.550 19516 275 1 . 1 1 547 547 LEU N N 547 126.156 126.156 122.106 4.050 19516 276 1 . 1 1 547 547 LEU HA H 547 4.104 4.104 4.409 -0.305 19516 277 1 . 1 1 547 547 LEU C C 547 178.679 178.679 178.442 0.237 19516 278 1 . 1 1 547 547 LEU CA C 547 58.272 58.272 56.854 1.418 19516 279 1 . 1 1 547 547 LEU CB C 547 43.101 43.101 41.655 1.446 19516 280 1 . 1 1 547 547 LEU H H 547 8.623 8.623 8.656 -0.033 19516 281 1 . 1 1 548 548 CYS N N 548 113.743 113.743 116.596 -2.853 19516 282 1 . 1 1 548 548 CYS HA H 548 4.021 4.021 4.380 -0.359 19516 283 1 . 1 1 548 548 CYS C C 548 174.884 174.884 175.438 -0.554 19516 284 1 . 1 1 548 548 CYS CA C 548 61.823 61.823 59.792 2.031 19516 285 1 . 1 1 548 548 CYS CB C 548 27.228 27.228 26.675 0.553 19516 286 1 . 1 1 548 548 CYS H H 548 8.820 8.820 8.145 0.675 19516 287 1 . 1 1 549 549 SER N N 549 113.613 113.613 114.997 -1.384 19516 288 1 . 1 1 549 549 SER HA H 549 4.456 4.456 4.367 0.089 19516 289 1 . 1 1 549 549 SER C C 549 173.519 173.519 174.169 -0.650 19516 290 1 . 1 1 549 549 SER CA C 549 58.515 58.515 58.444 0.071 19516 291 1 . 1 1 549 549 SER CB C 549 64.459 64.459 62.946 1.512 19516 292 1 . 1 1 549 549 SER H H 549 7.720 7.720 7.492 0.228 19516 293 1 . 1 1 550 550 LEU N N 550 118.126 118.126 122.653 -4.527 19516 294 1 . 1 1 550 550 LEU HA H 550 4.471 4.471 4.402 0.069 19516 295 1 . 1 1 550 550 LEU C C 550 176.903 176.903 176.154 0.749 19516 296 1 . 1 1 550 550 LEU CA C 550 53.498 53.498 54.795 -1.297 19516 297 1 . 1 1 550 550 LEU CB C 550 43.619 43.619 42.873 0.746 19516 298 1 . 1 1 550 550 LEU H H 550 6.779 6.779 7.279 -0.500 19516 299 1 . 1 1 551 551 ASP N N 551 121.893 121.893 120.885 1.008 19516 300 1 . 1 1 551 551 ASP HA H 551 4.665 4.665 4.780 -0.115 19516 301 1 . 1 1 551 551 ASP C C 551 176.382 176.382 177.149 -0.766 19516 302 1 . 1 1 551 551 ASP CA C 551 53.535 53.535 53.347 0.188 19516 303 1 . 1 1 551 551 ASP CB C 551 42.051 42.051 42.979 -0.928 19516 304 1 . 1 1 551 551 ASP H H 551 9.082 9.082 8.440 0.642 19516 305 1 . 1 1 552 552 LYS N N 552 121.414 121.414 123.234 -1.820 19516 306 1 . 1 1 552 552 LYS HA H 552 4.149 4.149 4.056 0.093 19516 307 1 . 1 1 552 552 LYS C C 552 179.021 179.021 178.536 0.484 19516 308 1 . 1 1 552 552 LYS CA C 552 60.233 60.233 60.420 -0.187 19516 309 1 . 1 1 552 552 LYS CB C 552 32.495 32.495 31.991 0.503 19516 310 1 . 1 1 552 552 LYS H H 552 8.601 8.601 8.836 -0.235 19516 311 1 . 1 1 553 553 THR N N 553 113.449 113.449 113.063 0.386 19516 312 1 . 1 1 553 553 THR HA H 553 3.910 3.910 4.203 -0.293 19516 313 1 . 1 1 553 553 THR C C 553 177.036 177.036 176.590 0.446 19516 314 1 . 1 1 553 553 THR CA C 553 66.065 66.065 65.734 0.331 19516 315 1 . 1 1 553 553 THR CB C 553 68.436 68.436 68.380 0.056 19516 316 1 . 1 1 553 553 THR H H 553 8.244 8.244 8.207 0.037 19516 317 1 . 1 1 554 554 THR N N 554 120.799 120.799 118.523 2.276 19516 318 1 . 1 1 554 554 THR HA H 554 3.828 3.828 4.271 -0.443 19516 319 1 . 1 1 554 554 THR C C 554 176.156 176.156 176.039 0.117 19516 320 1 . 1 1 554 554 THR CA C 554 66.779 66.779 65.878 0.901 19516 321 1 . 1 1 554 554 THR CB C 554 67.976 67.976 68.739 -0.763 19516 322 1 . 1 1 554 554 THR H H 554 7.862 7.862 7.899 -0.037 19516 323 1 . 1 1 555 555 VAL N N 555 122.618 122.618 122.558 0.060 19516 324 1 . 1 1 555 555 VAL HA H 555 3.366 3.366 3.710 -0.344 19516 325 1 . 1 1 555 555 VAL C C 555 177.296 177.296 177.453 -0.157 19516 326 1 . 1 1 555 555 VAL CA C 555 68.041 68.041 66.732 1.309 19516 327 1 . 1 1 555 555 VAL CB C 555 31.715 31.715 31.264 0.451 19516 328 1 . 1 1 555 555 VAL H H 555 7.970 7.970 8.770 -0.800 19516 329 1 . 1 1 556 556 ARG N N 556 118.700 118.700 118.597 0.103 19516 330 1 . 1 1 556 556 ARG HA H 556 4.420 4.420 4.156 0.264 19516 331 1 . 1 1 556 556 ARG C C 556 180.076 180.076 178.725 1.351 19516 332 1 . 1 1 556 556 ARG CA C 556 58.628 58.628 58.622 0.006 19516 333 1 . 1 1 556 556 ARG CB C 556 29.147 29.147 29.796 -0.649 19516 334 1 . 1 1 556 556 ARG H H 556 8.342 8.342 7.662 0.680 19516 335 1 . 1 1 557 557 LYS N N 557 120.947 120.947 119.458 1.489 19516 336 1 . 1 1 557 557 LYS HA H 557 3.913 3.913 4.098 -0.184 19516 337 1 . 1 1 557 557 LYS C C 557 178.774 178.774 178.836 -0.062 19516 338 1 . 1 1 557 557 LYS CA C 557 59.270 59.270 58.635 0.635 19516 339 1 . 1 1 557 557 LYS CB C 557 32.075 32.075 32.346 -0.271 19516 340 1 . 1 1 557 557 LYS H H 557 7.670 7.670 7.526 0.144 19516 341 1 . 1 1 558 558 LEU N N 558 120.582 120.582 121.463 -0.881 19516 342 1 . 1 1 558 558 LEU HA H 558 3.704 3.704 4.267 -0.563 19516 343 1 . 1 1 558 558 LEU C C 558 178.702 178.702 178.706 -0.004 19516 344 1 . 1 1 558 558 LEU CA C 558 58.682 58.682 57.910 0.772 19516 345 1 . 1 1 558 558 LEU CB C 558 42.744 42.744 41.856 0.888 19516 346 1 . 1 1 558 558 LEU H H 558 8.166 8.166 7.955 0.211 19516 347 1 . 1 1 559 559 GLN N N 559 115.514 115.514 116.833 -1.319 19516 348 1 . 1 1 559 559 GLN HA H 559 3.869 3.869 3.931 -0.062 19516 349 1 . 1 1 559 559 GLN C C 559 179.502 179.502 178.404 1.098 19516 350 1 . 1 1 559 559 GLN CA C 559 59.568 59.568 58.863 0.705 19516 351 1 . 1 1 559 559 GLN CB C 559 28.527 28.527 28.433 0.094 19516 352 1 . 1 1 559 559 GLN H H 559 8.441 8.441 8.339 0.102 19516 353 1 . 1 1 560 560 SER N N 560 115.703 115.703 115.564 0.139 19516 354 1 . 1 1 560 560 SER HA H 560 4.310 4.310 4.180 0.130 19516 355 1 . 1 1 560 560 SER C C 560 176.997 176.997 176.202 0.795 19516 356 1 . 1 1 560 560 SER CA C 560 61.535 61.535 61.097 0.438 19516 357 1 . 1 1 560 560 SER CB C 560 62.810 62.810 62.770 0.040 19516 358 1 . 1 1 560 560 SER H H 560 7.883 7.883 7.626 0.257 19516 359 1 . 1 1 561 561 TYR N N 561 121.470 121.470 119.950 1.520 19516 360 1 . 1 1 561 561 TYR HA H 561 4.667 4.667 4.242 0.425 19516 361 1 . 1 1 561 561 TYR C C 561 178.019 178.019 177.309 0.710 19516 362 1 . 1 1 561 561 TYR CA C 561 57.854 57.854 60.906 -3.052 19516 363 1 . 1 1 561 561 TYR CB C 561 36.842 36.842 38.114 -1.272 19516 364 1 . 1 1 561 561 TYR H H 561 7.856 7.856 7.615 0.241 19516 365 1 . 1 1 562 562 LEU N N 562 117.382 117.382 116.861 0.520 19516 366 1 . 1 1 562 562 LEU HA H 562 4.233 4.233 4.217 0.016 19516 367 1 . 1 1 562 562 LEU C C 562 178.086 178.086 177.805 0.281 19516 368 1 . 1 1 562 562 LEU CA C 562 55.989 55.989 56.216 -0.227 19516 369 1 . 1 1 562 562 LEU CB C 562 41.606 41.606 42.322 -0.716 19516 370 1 . 1 1 562 562 LEU H H 562 7.618 7.618 7.419 0.198 19516 371 1 . 1 1 563 563 GLU N N 563 119.602 119.602 117.769 1.833 19516 372 1 . 1 1 563 563 GLU HA H 563 4.313 4.313 4.236 0.077 19516 373 1 . 1 1 563 563 GLU C C 563 177.407 177.407 176.188 1.219 19516 374 1 . 1 1 563 563 GLU CA C 563 57.577 57.577 56.518 1.059 19516 375 1 . 1 1 563 563 GLU CB C 563 30.072 30.072 29.211 0.861 19516 376 1 . 1 1 563 563 GLU H H 563 7.724 7.724 7.881 -0.157 19516 377 1 . 1 1 564 564 THR N N 564 112.400 112.400 113.982 -1.582 19516 378 1 . 1 1 564 564 THR HA H 564 4.416 4.416 4.149 0.267 19516 379 1 . 1 1 564 564 THR C C 564 174.998 174.998 174.781 0.217 19516 380 1 . 1 1 564 564 THR CA C 564 62.021 62.021 63.003 -0.982 19516 381 1 . 1 1 564 564 THR CB C 564 69.690 69.690 68.993 0.697 19516 382 1 . 1 1 564 564 THR H H 564 8.019 8.019 7.947 0.072 19516 383 1 . 1 1 565 565 SER N N 565 117.680 117.680 118.660 -0.980 19516 384 1 . 1 1 565 565 SER HA H 565 4.463 4.463 4.350 0.113 19516 385 1 . 1 1 565 565 SER C C 565 175.109 175.109 174.534 0.575 19516 386 1 . 1 1 565 565 SER CA C 565 58.814 58.814 58.735 0.079 19516 387 1 . 1 1 565 565 SER CB C 565 63.945 63.945 63.085 0.860 19516 388 1 . 1 1 565 565 SER H H 565 8.136 8.136 8.428 -0.292 19516 389 1 . 1 1 566 566 GLY N N 566 111.023 111.023 109.876 1.147 19516 390 1 . 1 1 566 566 GLY C C 566 174.384 174.384 174.465 -0.081 19516 391 1 . 1 1 566 566 GLY CA C 566 45.575 45.575 45.295 0.280 19516 392 1 . 1 1 566 566 GLY H H 566 8.510 8.510 8.321 0.189 19516 393 1 . 1 1 567 567 THR N N 567 113.077 113.077 113.752 -0.675 19516 394 1 . 1 1 567 567 THR HA H 567 4.405 4.405 4.188 0.217 19516 395 1 . 1 1 567 567 THR C C 567 173.995 173.995 174.882 -0.887 19516 396 1 . 1 1 567 567 THR CA C 567 61.713 61.713 63.049 -1.336 19516 397 1 . 1 1 567 567 THR CB C 567 70.013 70.013 68.815 1.198 19516 398 1 . 1 1 567 567 THR H H 567 8.061 8.061 8.099 -0.038 19516 stop_ save_