data_18467 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18467 _Entry.PDB_ID 2LTC 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 18467 _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 3 3 MET C C 502 175.861 175.861 174.760 1.101 18467 2 1 1 . 1 1 3 3 MET CA C 502 55.905 55.905 55.754 0.151 18467 3 1 1 . 1 1 3 3 MET CB C 502 34.158 34.158 31.820 2.338 18467 4 1 1 . 1 1 4 4 GLY N N 503 111.094 111.094 112.567 -1.473 18467 5 1 1 . 1 1 4 4 GLY C C 503 173.998 173.998 172.587 1.411 18467 6 1 1 . 1 1 4 4 GLY CA C 503 44.482 44.482 45.069 -0.587 18467 7 1 1 . 1 1 4 4 GLY H H 503 8.376 8.376 7.725 0.651 18467 8 1 1 . 1 1 5 5 THR N N 504 111.539 111.539 113.242 -1.703 18467 9 1 1 . 1 1 5 5 THR HA H 504 4.440 4.440 4.749 -0.309 18467 10 1 1 . 1 1 5 5 THR C C 504 176.360 176.360 176.606 -0.246 18467 11 1 1 . 1 1 5 5 THR CA C 504 61.986 61.986 59.944 2.042 18467 12 1 1 . 1 1 5 5 THR CB C 504 73.034 73.034 71.359 1.675 18467 13 1 1 . 1 1 5 5 THR H H 504 9.233 9.233 7.967 1.266 18467 14 1 1 . 1 1 6 6 VAL N N 505 118.212 118.212 117.620 0.592 18467 15 1 1 . 1 1 6 6 VAL HA H 505 3.250 3.250 3.694 -0.444 18467 16 1 1 . 1 1 6 6 VAL C C 505 177.264 177.264 177.665 -0.401 18467 17 1 1 . 1 1 6 6 VAL CA C 505 67.200 67.200 65.764 1.436 18467 18 1 1 . 1 1 6 6 VAL CB C 505 31.657 31.657 31.207 0.450 18467 19 1 1 . 1 1 6 6 VAL H H 505 9.918 9.918 9.109 0.809 18467 20 1 1 . 1 1 7 7 MET N N 506 114.107 114.107 117.696 -3.589 18467 21 1 1 . 1 1 7 7 MET HA H 506 4.361 4.361 4.172 0.189 18467 22 1 1 . 1 1 7 7 MET C C 506 178.097 178.097 178.242 -0.145 18467 23 1 1 . 1 1 7 7 MET CA C 506 56.075 56.075 57.497 -1.422 18467 24 1 1 . 1 1 7 7 MET CB C 506 30.910 30.910 31.165 -0.255 18467 25 1 1 . 1 1 7 7 MET H H 506 6.975 6.975 7.587 -0.612 18467 26 1 1 . 1 1 8 8 ASP N N 507 120.374 120.374 120.058 0.316 18467 27 1 1 . 1 1 8 8 ASP HA H 507 4.255 4.255 4.481 -0.226 18467 28 1 1 . 1 1 8 8 ASP C C 507 179.824 179.824 179.237 0.587 18467 29 1 1 . 1 1 8 8 ASP CA C 507 58.088 58.088 57.413 0.675 18467 30 1 1 . 1 1 8 8 ASP CB C 507 40.526 40.526 41.228 -0.702 18467 31 1 1 . 1 1 8 8 ASP H H 507 7.430 7.430 7.583 -0.153 18467 32 1 1 . 1 1 9 9 VAL N N 508 121.326 121.326 120.569 0.757 18467 33 1 1 . 1 1 9 9 VAL HA H 508 3.567 3.567 3.802 -0.235 18467 34 1 1 . 1 1 9 9 VAL C C 508 179.115 179.115 177.089 2.026 18467 35 1 1 . 1 1 9 9 VAL CA C 508 66.131 66.131 65.350 0.781 18467 36 1 1 . 1 1 9 9 VAL CB C 508 31.666 31.666 32.020 -0.353 18467 37 1 1 . 1 1 9 9 VAL H H 508 8.174 8.174 8.236 -0.062 18467 38 1 1 . 1 1 10 10 LEU N N 509 117.258 117.258 117.300 -0.042 18467 39 1 1 . 1 1 10 10 LEU HA H 509 4.039 4.039 4.392 -0.353 18467 40 1 1 . 1 1 10 10 LEU C C 509 179.091 179.091 179.139 -0.048 18467 41 1 1 . 1 1 10 10 LEU CA C 509 57.372 57.372 56.929 0.443 18467 42 1 1 . 1 1 10 10 LEU CB C 509 41.839 41.839 41.499 0.340 18467 43 1 1 . 1 1 10 10 LEU H H 509 7.896 7.896 7.240 0.656 18467 44 1 1 . 1 1 11 11 LYS N N 510 114.824 114.824 119.835 -5.011 18467 45 1 1 . 1 1 11 11 LYS HA H 510 3.959 3.959 4.124 -0.165 18467 46 1 1 . 1 1 11 11 LYS C C 510 178.021 178.021 177.919 0.102 18467 47 1 1 . 1 1 11 11 LYS CA C 510 59.047 59.047 58.671 0.376 18467 48 1 1 . 1 1 11 11 LYS CB C 510 32.771 32.771 32.420 0.351 18467 49 1 1 . 1 1 11 11 LYS H H 510 8.377 8.377 7.882 0.495 18467 50 1 1 . 1 1 12 12 GLY N N 511 104.574 104.574 106.369 -1.795 18467 51 1 1 . 1 1 12 12 GLY C C 511 172.564 172.564 173.436 -0.872 18467 52 1 1 . 1 1 12 12 GLY CA C 511 45.442 45.442 44.520 0.922 18467 53 1 1 . 1 1 12 12 GLY H H 511 7.590 7.590 7.775 -0.185 18467 54 1 1 . 1 1 13 13 ASP N N 512 120.194 120.194 120.207 -0.013 18467 55 1 1 . 1 1 13 13 ASP HA H 512 4.992 4.992 4.886 0.106 18467 56 1 1 . 1 1 13 13 ASP CA C 512 52.469 52.469 52.843 -0.374 18467 57 1 1 . 1 1 13 13 ASP CB C 512 43.985 43.985 43.765 0.220 18467 58 1 1 . 1 1 13 13 ASP H H 512 7.074 7.074 7.589 -0.515 18467 59 1 1 . 1 1 14 14 ASN HA H 513 4.447 4.447 4.739 -0.292 18467 60 1 1 . 1 1 14 14 ASN C C 513 176.709 176.709 177.221 -0.512 18467 61 1 1 . 1 1 14 14 ASN CA C 513 55.819 55.819 55.781 0.038 18467 62 1 1 . 1 1 14 14 ASN CB C 513 38.100 38.100 38.995 -0.895 18467 63 1 1 . 1 1 15 15 ARG N N 514 118.980 118.980 118.418 0.562 18467 64 1 1 . 1 1 15 15 ARG HA H 514 4.139 4.139 4.258 -0.119 18467 65 1 1 . 1 1 15 15 ARG C C 514 176.109 176.109 175.893 0.216 18467 66 1 1 . 1 1 15 15 ARG CA C 514 58.061 58.061 57.722 0.339 18467 67 1 1 . 1 1 15 15 ARG CB C 514 30.691 30.691 30.334 0.357 18467 68 1 1 . 1 1 15 15 ARG H H 514 8.573 8.573 8.612 -0.039 18467 69 1 1 . 1 1 16 16 PHE N N 515 113.150 113.150 115.855 -2.705 18467 70 1 1 . 1 1 16 16 PHE HA H 515 5.793 5.793 5.037 0.756 18467 71 1 1 . 1 1 16 16 PHE C C 515 176.420 176.420 176.345 0.075 18467 72 1 1 . 1 1 16 16 PHE CA C 515 55.966 55.966 55.544 0.422 18467 73 1 1 . 1 1 16 16 PHE CB C 515 38.644 38.644 38.632 0.012 18467 74 1 1 . 1 1 16 16 PHE H H 515 7.592 7.592 7.491 0.101 18467 75 1 1 . 1 1 17 17 SER N N 516 116.649 116.649 117.446 -0.797 18467 76 1 1 . 1 1 17 17 SER HA H 516 4.062 4.062 4.253 -0.191 18467 77 1 1 . 1 1 17 17 SER C C 516 178.631 178.631 176.330 2.301 18467 78 1 1 . 1 1 17 17 SER CA C 516 62.695 62.695 62.526 0.169 18467 79 1 1 . 1 1 17 17 SER CB C 516 62.147 62.147 63.129 -0.982 18467 80 1 1 . 1 1 17 17 SER H H 516 7.527 7.527 7.432 0.095 18467 81 1 1 . 1 1 18 18 MET N N 517 124.591 124.591 119.857 4.734 18467 82 1 1 . 1 1 18 18 MET HA H 517 4.122 4.122 4.389 -0.267 18467 83 1 1 . 1 1 18 18 MET C C 517 177.503 177.503 177.444 0.059 18467 84 1 1 . 1 1 18 18 MET CA C 517 59.707 59.707 58.137 1.570 18467 85 1 1 . 1 1 18 18 MET CB C 517 32.304 32.304 32.333 -0.029 18467 86 1 1 . 1 1 18 18 MET H H 517 9.271 9.271 8.469 0.802 18467 87 1 1 . 1 1 19 19 LEU N N 518 123.039 123.039 120.791 2.248 18467 88 1 1 . 1 1 19 19 LEU HA H 518 3.893 3.893 4.074 -0.181 18467 89 1 1 . 1 1 19 19 LEU C C 518 178.414 178.414 178.048 0.366 18467 90 1 1 . 1 1 19 19 LEU CA C 518 58.118 58.118 58.128 -0.010 18467 91 1 1 . 1 1 19 19 LEU CB C 518 41.221 41.221 41.619 -0.398 18467 92 1 1 . 1 1 19 19 LEU H H 518 8.587 8.587 7.931 0.656 18467 93 1 1 . 1 1 20 20 VAL N N 519 118.518 118.518 118.844 -0.326 18467 94 1 1 . 1 1 20 20 VAL HA H 519 3.322 3.322 3.561 -0.239 18467 95 1 1 . 1 1 20 20 VAL C C 519 178.032 178.032 178.171 -0.139 18467 96 1 1 . 1 1 20 20 VAL CA C 519 67.874 67.874 66.435 1.439 18467 97 1 1 . 1 1 20 20 VAL CB C 519 31.600 31.600 30.267 1.333 18467 98 1 1 . 1 1 20 20 VAL H H 519 9.070 9.070 8.080 0.990 18467 99 1 1 . 1 1 21 21 ALA N N 520 122.534 122.534 121.318 1.216 18467 100 1 1 . 1 1 21 21 ALA HA H 520 4.165 4.165 3.993 0.172 18467 101 1 1 . 1 1 21 21 ALA C C 520 180.604 180.604 179.087 1.517 18467 102 1 1 . 1 1 21 21 ALA CA C 520 55.125 55.125 55.339 -0.214 18467 103 1 1 . 1 1 21 21 ALA CB C 520 17.702 17.702 17.946 -0.244 18467 104 1 1 . 1 1 21 21 ALA H H 520 7.594 7.594 7.673 -0.079 18467 105 1 1 . 1 1 22 22 ALA N N 521 123.185 123.185 122.216 0.969 18467 106 1 1 . 1 1 22 22 ALA HA H 521 3.945 3.945 3.932 0.013 18467 107 1 1 . 1 1 22 22 ALA C C 521 178.468 178.468 179.602 -1.134 18467 108 1 1 . 1 1 22 22 ALA CA C 521 54.905 54.905 54.570 0.335 18467 109 1 1 . 1 1 22 22 ALA CB C 521 17.956 17.956 18.246 -0.290 18467 110 1 1 . 1 1 22 22 ALA H H 521 8.549 8.549 7.264 1.285 18467 111 1 1 . 1 1 23 23 ILE N N 522 120.269 120.269 118.892 1.377 18467 112 1 1 . 1 1 23 23 ILE HA H 522 3.275 3.275 3.466 -0.191 18467 113 1 1 . 1 1 23 23 ILE C C 522 178.024 178.024 178.101 -0.077 18467 114 1 1 . 1 1 23 23 ILE CA C 522 66.015 66.015 65.191 0.824 18467 115 1 1 . 1 1 23 23 ILE CB C 522 38.407 38.407 37.610 0.797 18467 116 1 1 . 1 1 23 23 ILE H H 522 8.963 8.963 8.273 0.690 18467 117 1 1 . 1 1 24 24 GLN N N 523 118.677 118.677 120.370 -1.693 18467 118 1 1 . 1 1 24 24 GLN HA H 523 4.169 4.169 3.991 0.178 18467 119 1 1 . 1 1 24 24 GLN C C 523 180.200 180.200 178.157 2.043 18467 120 1 1 . 1 1 24 24 GLN CA C 523 58.567 58.567 58.430 0.137 18467 121 1 1 . 1 1 24 24 GLN CB C 523 27.611 27.611 28.383 -0.772 18467 122 1 1 . 1 1 24 24 GLN H H 523 7.976 7.976 8.458 -0.482 18467 123 1 1 . 1 1 25 25 SER N N 524 117.810 117.810 115.095 2.715 18467 124 1 1 . 1 1 25 25 SER C C 524 175.679 175.679 175.702 -0.023 18467 125 1 1 . 1 1 25 25 SER CA C 524 62.046 62.046 61.026 1.020 18467 126 1 1 . 1 1 25 25 SER CB C 524 63.015 63.015 63.022 -0.007 18467 127 1 1 . 1 1 25 25 SER H H 524 8.311 8.311 7.903 0.408 18467 128 1 1 . 1 1 26 26 ALA N N 525 119.017 119.017 120.788 -1.771 18467 129 1 1 . 1 1 26 26 ALA HA H 525 4.307 4.307 4.421 -0.114 18467 130 1 1 . 1 1 26 26 ALA C C 525 176.838 176.838 178.278 -1.440 18467 131 1 1 . 1 1 26 26 ALA CA C 525 52.205 52.205 52.492 -0.287 18467 132 1 1 . 1 1 26 26 ALA CB C 525 19.912 19.912 19.052 0.860 18467 133 1 1 . 1 1 26 26 ALA H H 525 8.322 8.322 7.509 0.813 18467 134 1 1 . 1 1 27 27 GLY N N 526 105.650 105.650 106.733 -1.083 18467 135 1 1 . 1 1 27 27 GLY C C 526 176.606 176.606 175.412 1.194 18467 136 1 1 . 1 1 27 27 GLY CA C 526 46.361 46.361 45.790 0.571 18467 137 1 1 . 1 1 27 27 GLY H H 526 7.749 7.749 7.778 -0.029 18467 138 1 1 . 1 1 28 28 LEU N N 527 118.441 118.441 113.891 4.550 18467 139 1 1 . 1 1 28 28 LEU HA H 527 4.452 4.452 4.755 -0.303 18467 140 1 1 . 1 1 28 28 LEU C C 527 175.786 175.786 178.055 -2.269 18467 141 1 1 . 1 1 28 28 LEU CA C 527 54.774 54.774 53.599 1.175 18467 142 1 1 . 1 1 28 28 LEU CB C 527 45.162 45.162 40.330 4.832 18467 143 1 1 . 1 1 28 28 LEU H H 527 8.100 8.100 7.287 0.813 18467 144 1 1 . 1 1 29 29 THR N N 528 117.975 117.975 118.000 -0.025 18467 145 1 1 . 1 1 29 29 THR HA H 528 3.539 3.539 3.788 -0.249 18467 146 1 1 . 1 1 29 29 THR C C 528 175.468 175.468 176.107 -0.639 18467 147 1 1 . 1 1 29 29 THR CA C 528 66.819 66.819 66.848 -0.029 18467 148 1 1 . 1 1 29 29 THR CB C 528 68.696 68.696 68.468 0.228 18467 149 1 1 . 1 1 29 29 THR H H 528 7.584 7.584 7.972 -0.388 18467 150 1 1 . 1 1 30 30 GLU N N 529 117.727 117.727 119.800 -2.073 18467 151 1 1 . 1 1 30 30 GLU HA H 529 3.986 3.986 4.059 -0.073 18467 152 1 1 . 1 1 30 30 GLU C C 529 179.348 179.348 178.508 0.840 18467 153 1 1 . 1 1 30 30 GLU CA C 529 59.738 59.738 59.086 0.652 18467 154 1 1 . 1 1 30 30 GLU CB C 529 28.596 28.596 28.937 -0.341 18467 155 1 1 . 1 1 30 30 GLU H H 529 8.304 8.304 8.752 -0.448 18467 156 1 1 . 1 1 31 31 THR N N 530 116.063 116.063 114.642 1.421 18467 157 1 1 . 1 1 31 31 THR HA H 530 3.758 3.758 4.016 -0.258 18467 158 1 1 . 1 1 31 31 THR C C 530 175.858 175.858 175.082 0.776 18467 159 1 1 . 1 1 31 31 THR CA C 530 67.207 67.207 65.992 1.215 18467 160 1 1 . 1 1 31 31 THR CB C 530 69.145 69.145 68.918 0.227 18467 161 1 1 . 1 1 31 31 THR H H 530 7.698 7.698 7.631 0.067 18467 162 1 1 . 1 1 32 32 LEU N N 531 116.755 116.755 117.065 -0.310 18467 163 1 1 . 1 1 32 32 LEU HA H 531 3.921 3.921 4.139 -0.218 18467 164 1 1 . 1 1 32 32 LEU C C 531 176.163 176.163 177.397 -1.234 18467 165 1 1 . 1 1 32 32 LEU CA C 531 55.681 55.681 54.840 0.841 18467 166 1 1 . 1 1 32 32 LEU CB C 531 41.417 41.417 42.487 -1.070 18467 167 1 1 . 1 1 32 32 LEU H H 531 7.108 7.108 7.559 -0.451 18467 168 1 1 . 1 1 33 33 ASN N N 532 118.731 118.731 118.160 0.571 18467 169 1 1 . 1 1 33 33 ASN HA H 532 4.973 4.973 4.725 0.248 18467 170 1 1 . 1 1 33 33 ASN C C 532 174.820 174.820 175.479 -0.659 18467 171 1 1 . 1 1 33 33 ASN CA C 532 52.139 52.139 53.221 -1.082 18467 172 1 1 . 1 1 33 33 ASN CB C 532 40.952 40.952 39.578 1.374 18467 173 1 1 . 1 1 33 33 ASN H H 532 7.751 7.751 8.323 -0.572 18467 174 1 1 . 1 1 34 34 ARG N N 533 119.562 119.562 120.251 -0.689 18467 175 1 1 . 1 1 34 34 ARG HA H 533 4.531 4.531 4.443 0.088 18467 176 1 1 . 1 1 34 34 ARG C C 533 175.355 175.355 175.212 0.143 18467 177 1 1 . 1 1 34 34 ARG CA C 533 55.591 55.591 54.803 0.788 18467 178 1 1 . 1 1 34 34 ARG CB C 533 32.007 32.007 31.666 0.341 18467 179 1 1 . 1 1 34 34 ARG H H 533 7.296 7.296 7.461 -0.165 18467 180 1 1 . 1 1 35 35 GLU N N 534 120.049 120.049 121.394 -1.345 18467 181 1 1 . 1 1 35 35 GLU HA H 534 4.238 4.238 4.319 -0.081 18467 182 1 1 . 1 1 35 35 GLU C C 534 176.281 176.281 176.545 -0.264 18467 183 1 1 . 1 1 35 35 GLU CA C 534 57.698 57.698 56.670 1.028 18467 184 1 1 . 1 1 35 35 GLU CB C 534 29.807 29.807 30.247 -0.440 18467 185 1 1 . 1 1 35 35 GLU H H 534 8.508 8.508 8.643 -0.135 18467 186 1 1 . 1 1 36 36 GLY N N 535 110.987 110.987 110.898 0.089 18467 187 1 1 . 1 1 36 36 GLY C C 535 170.566 170.566 171.922 -1.356 18467 188 1 1 . 1 1 36 36 GLY CA C 535 44.853 44.853 44.833 0.020 18467 189 1 1 . 1 1 36 36 GLY H H 535 7.949 7.949 8.535 -0.586 18467 190 1 1 . 1 1 37 37 VAL N N 536 114.744 114.744 116.588 -1.844 18467 191 1 1 . 1 1 37 37 VAL HA H 536 4.126 4.126 4.797 -0.671 18467 192 1 1 . 1 1 37 37 VAL C C 536 173.026 173.026 173.851 -0.825 18467 193 1 1 . 1 1 37 37 VAL CA C 536 59.318 59.318 60.019 -0.701 18467 194 1 1 . 1 1 37 37 VAL CB C 536 33.633 33.633 34.053 -0.420 18467 195 1 1 . 1 1 37 37 VAL H H 536 7.189 7.189 7.725 -0.536 18467 196 1 1 . 1 1 38 38 TYR N N 537 117.326 117.326 123.868 -6.542 18467 197 1 1 . 1 1 38 38 TYR HA H 537 5.187 5.187 5.067 0.120 18467 198 1 1 . 1 1 38 38 TYR C C 537 176.236 176.236 174.815 1.421 18467 199 1 1 . 1 1 38 38 TYR CA C 537 56.755 56.755 56.799 -0.044 18467 200 1 1 . 1 1 38 38 TYR CB C 537 42.471 42.471 43.327 -0.856 18467 201 1 1 . 1 1 38 38 TYR H H 537 7.491 7.491 8.127 -0.636 18467 202 1 1 . 1 1 39 39 THR N N 538 117.089 117.089 119.428 -2.339 18467 203 1 1 . 1 1 39 39 THR HA H 538 4.789 4.789 4.891 -0.102 18467 204 1 1 . 1 1 39 39 THR C C 538 173.433 173.433 173.755 -0.322 18467 205 1 1 . 1 1 39 39 THR CA C 538 62.170 62.170 62.151 0.018 18467 206 1 1 . 1 1 39 39 THR CB C 538 70.774 70.774 69.593 1.181 18467 207 1 1 . 1 1 39 39 THR H H 538 7.902 7.902 8.534 -0.632 18467 208 1 1 . 1 1 40 40 VAL N N 539 126.906 126.906 128.414 -1.508 18467 209 1 1 . 1 1 40 40 VAL HA H 539 4.523 4.523 4.676 -0.153 18467 210 1 1 . 1 1 40 40 VAL C C 539 173.960 173.960 174.584 -0.624 18467 211 1 1 . 1 1 40 40 VAL CA C 539 61.184 61.184 61.728 -0.544 18467 212 1 1 . 1 1 40 40 VAL CB C 539 33.968 33.968 32.266 1.702 18467 213 1 1 . 1 1 40 40 VAL H H 539 9.183 9.183 8.946 0.237 18467 214 1 1 . 1 1 41 41 PHE N N 540 128.634 128.634 129.024 -0.390 18467 215 1 1 . 1 1 41 41 PHE HA H 540 5.332 5.332 4.816 0.516 18467 216 1 1 . 1 1 41 41 PHE C C 540 173.378 173.378 175.350 -1.972 18467 217 1 1 . 1 1 41 41 PHE CA C 540 57.718 57.718 57.572 0.146 18467 218 1 1 . 1 1 41 41 PHE CB C 540 38.255 38.255 38.957 -0.702 18467 219 1 1 . 1 1 41 41 PHE H H 540 9.084 9.084 8.921 0.163 18467 220 1 1 . 1 1 42 42 ALA N N 541 125.989 125.989 129.870 -3.881 18467 221 1 1 . 1 1 42 42 ALA HA H 541 4.499 4.499 4.823 -0.324 18467 222 1 1 . 1 1 42 42 ALA CA C 541 49.035 49.035 48.863 0.172 18467 223 1 1 . 1 1 42 42 ALA CB C 541 22.804 22.804 19.465 3.339 18467 224 1 1 . 1 1 42 42 ALA H H 541 8.572 8.572 8.961 -0.389 18467 225 1 1 . 1 1 43 43 PRO HA H 542 5.030 5.030 5.336 -0.306 18467 226 1 1 . 1 1 43 43 PRO C C 542 177.796 177.796 177.341 0.455 18467 227 1 1 . 1 1 43 43 PRO CA C 542 60.823 60.823 62.029 -1.206 18467 228 1 1 . 1 1 43 43 PRO CB C 542 31.462 31.462 32.545 -1.083 18467 229 1 1 . 1 1 44 44 THR N N 543 111.786 111.786 113.989 -2.203 18467 230 1 1 . 1 1 44 44 THR HA H 543 4.423 4.423 4.587 -0.164 18467 231 1 1 . 1 1 44 44 THR C C 543 176.323 176.323 175.873 0.450 18467 232 1 1 . 1 1 44 44 THR CA C 543 60.816 60.816 59.922 0.894 18467 233 1 1 . 1 1 44 44 THR CB C 543 71.498 71.498 70.224 1.274 18467 234 1 1 . 1 1 44 44 THR H H 543 7.739 7.739 8.410 -0.671 18467 235 1 1 . 1 1 45 45 ASN N N 544 118.432 118.432 117.892 0.540 18467 236 1 1 . 1 1 45 45 ASN HA H 544 4.621 4.621 4.472 0.149 18467 237 1 1 . 1 1 45 45 ASN C C 544 177.738 177.738 176.209 1.529 18467 238 1 1 . 1 1 45 45 ASN CA C 544 56.092 56.092 56.440 -0.348 18467 239 1 1 . 1 1 45 45 ASN CB C 544 37.329 37.329 38.583 -1.254 18467 240 1 1 . 1 1 45 45 ASN H H 544 8.679 8.679 8.497 0.182 18467 241 1 1 . 1 1 46 46 GLU N N 545 117.774 117.774 116.777 0.997 18467 242 1 1 . 1 1 46 46 GLU HA H 545 3.800 3.800 4.106 -0.306 18467 243 1 1 . 1 1 46 46 GLU C C 545 178.277 178.277 177.035 1.242 18467 244 1 1 . 1 1 46 46 GLU CA C 545 60.129 60.129 58.118 2.011 18467 245 1 1 . 1 1 46 46 GLU CB C 545 29.254 29.254 28.602 0.652 18467 246 1 1 . 1 1 46 46 GLU H H 545 8.213 8.213 8.238 -0.025 18467 247 1 1 . 1 1 47 47 ALA N N 546 121.430 121.430 121.944 -0.514 18467 248 1 1 . 1 1 47 47 ALA HA H 546 3.965 3.965 4.209 -0.244 18467 249 1 1 . 1 1 47 47 ALA C C 546 180.270 180.270 179.345 0.925 18467 250 1 1 . 1 1 47 47 ALA CA C 546 54.894 54.894 54.126 0.768 18467 251 1 1 . 1 1 47 47 ALA CB C 546 19.469 19.469 18.579 0.890 18467 252 1 1 . 1 1 47 47 ALA H H 546 7.344 7.344 7.323 0.021 18467 253 1 1 . 1 1 48 48 PHE N N 547 115.617 115.617 116.218 -0.601 18467 254 1 1 . 1 1 48 48 PHE HA H 547 3.923 3.923 4.036 -0.113 18467 255 1 1 . 1 1 48 48 PHE C C 547 178.849 178.849 176.687 2.162 18467 256 1 1 . 1 1 48 48 PHE CA C 547 61.460 61.460 58.673 2.787 18467 257 1 1 . 1 1 48 48 PHE CB C 547 38.400 38.400 37.757 0.643 18467 258 1 1 . 1 1 48 48 PHE H H 547 7.128 7.128 7.138 -0.010 18467 259 1 1 . 1 1 49 49 ARG N N 548 118.721 118.721 116.275 2.446 18467 260 1 1 . 1 1 49 49 ARG C C 548 175.961 175.961 176.556 -0.595 18467 261 1 1 . 1 1 49 49 ARG CA C 548 58.359 58.359 55.806 2.553 18467 262 1 1 . 1 1 49 49 ARG CB C 548 30.082 30.082 30.198 -0.116 18467 263 1 1 . 1 1 49 49 ARG H H 548 8.233 8.233 7.323 0.910 18467 264 1 1 . 1 1 50 50 ALA N N 549 118.911 118.911 121.311 -2.400 18467 265 1 1 . 1 1 50 50 ALA HA H 549 4.309 4.309 4.358 -0.049 18467 266 1 1 . 1 1 50 50 ALA C C 549 178.758 178.758 177.272 1.486 18467 267 1 1 . 1 1 50 50 ALA CA C 549 52.405 52.405 52.392 0.013 18467 268 1 1 . 1 1 50 50 ALA CB C 549 18.856 18.856 19.591 -0.735 18467 269 1 1 . 1 1 50 50 ALA H H 549 7.166 7.166 7.470 -0.304 18467 270 1 1 . 1 1 51 51 LEU N N 550 119.543 119.543 120.759 -1.216 18467 271 1 1 . 1 1 51 51 LEU HA H 550 4.541 4.541 4.726 -0.185 18467 272 1 1 . 1 1 51 51 LEU CA C 550 53.504 53.504 51.517 1.987 18467 273 1 1 . 1 1 51 51 LEU CB C 550 41.195 41.195 43.205 -2.010 18467 274 1 1 . 1 1 51 51 LEU H H 550 7.130 7.130 7.338 -0.207 18467 275 1 1 . 1 1 52 52 PRO HA H 551 4.780 4.780 4.676 0.104 18467 276 1 1 . 1 1 52 52 PRO CA C 551 61.356 61.356 62.040 -0.684 18467 277 1 1 . 1 1 52 52 PRO CB C 551 31.589 31.589 31.567 0.022 18467 278 1 1 . 1 1 53 53 PRO HA H 552 4.415 4.415 4.244 0.171 18467 279 1 1 . 1 1 53 53 PRO CA C 552 65.934 65.934 65.497 0.437 18467 280 1 1 . 1 1 53 53 PRO CB C 552 32.117 32.117 32.007 0.110 18467 281 1 1 . 1 1 54 54 ARG C C 553 178.861 178.861 178.379 0.482 18467 282 1 1 . 1 1 54 54 ARG CA C 553 59.040 59.040 59.092 -0.052 18467 283 1 1 . 1 1 54 54 ARG CB C 553 29.650 29.650 29.623 0.027 18467 284 1 1 . 1 1 55 55 GLU N N 554 120.619 120.619 118.887 1.732 18467 285 1 1 . 1 1 55 55 GLU HA H 554 4.569 4.569 4.109 0.460 18467 286 1 1 . 1 1 55 55 GLU CA C 554 57.913 57.913 58.965 -1.052 18467 287 1 1 . 1 1 55 55 GLU CB C 554 29.799 29.799 29.093 0.706 18467 288 1 1 . 1 1 55 55 GLU H H 554 7.713 7.713 7.848 -0.135 18467 289 1 1 . 1 1 56 56 TRP N N 555 120.789 120.789 121.889 -1.100 18467 290 1 1 . 1 1 56 56 TRP HA H 555 4.790 4.790 4.497 0.293 18467 291 1 1 . 1 1 56 56 TRP C C 555 176.837 176.837 178.433 -1.596 18467 292 1 1 . 1 1 56 56 TRP CA C 555 59.458 59.458 61.837 -2.379 18467 293 1 1 . 1 1 56 56 TRP CB C 555 30.606 30.606 29.600 1.006 18467 294 1 1 . 1 1 56 56 TRP H H 555 8.151 8.151 7.859 0.292 18467 295 1 1 . 1 1 57 57 SER N N 556 110.579 110.579 114.983 -4.404 18467 296 1 1 . 1 1 57 57 SER HA H 556 4.169 4.169 4.113 0.056 18467 297 1 1 . 1 1 57 57 SER C C 556 177.169 177.169 176.429 0.740 18467 298 1 1 . 1 1 57 57 SER CA C 556 61.964 61.964 62.317 -0.353 18467 299 1 1 . 1 1 57 57 SER H H 556 8.263 8.263 8.822 -0.559 18467 300 1 1 . 1 1 58 58 ARG N N 557 122.546 122.546 120.832 1.714 18467 301 1 1 . 1 1 58 58 ARG CA C 557 59.314 59.314 59.154 0.160 18467 302 1 1 . 1 1 58 58 ARG CB C 557 30.188 30.188 30.211 -0.023 18467 303 1 1 . 1 1 58 58 ARG H H 557 7.594 7.594 7.472 0.122 18467 304 1 1 . 1 1 59 59 LEU N N 558 120.695 120.695 120.775 -0.080 18467 305 1 1 . 1 1 59 59 LEU HA H 558 3.902 3.902 3.974 -0.072 18467 306 1 1 . 1 1 59 59 LEU C C 558 178.293 178.293 179.351 -1.058 18467 307 1 1 . 1 1 59 59 LEU CA C 558 57.989 57.989 57.263 0.726 18467 308 1 1 . 1 1 59 59 LEU CB C 558 41.974 41.974 41.562 0.412 18467 309 1 1 . 1 1 59 59 LEU H H 558 8.143 8.143 7.376 0.767 18467 310 1 1 . 1 1 60 60 LEU N N 559 115.713 115.713 116.634 -0.921 18467 311 1 1 . 1 1 60 60 LEU HA H 559 3.643 3.643 4.010 -0.367 18467 312 1 1 . 1 1 60 60 LEU C C 559 178.818 178.818 178.840 -0.022 18467 313 1 1 . 1 1 60 60 LEU CA C 559 56.773 56.773 56.967 -0.194 18467 314 1 1 . 1 1 60 60 LEU CB C 559 41.434 41.434 41.263 0.171 18467 315 1 1 . 1 1 60 60 LEU H H 559 7.725 7.725 8.261 -0.536 18467 316 1 1 . 1 1 61 61 GLY N N 560 103.312 103.312 105.632 -2.320 18467 317 1 1 . 1 1 61 61 GLY C C 560 173.364 173.364 173.772 -0.408 18467 318 1 1 . 1 1 61 61 GLY CA C 560 45.029 45.029 44.946 0.083 18467 319 1 1 . 1 1 61 61 GLY H H 560 7.311 7.311 7.625 -0.314 18467 320 1 1 . 1 1 62 62 ASP N N 561 122.455 122.455 120.144 2.311 18467 321 1 1 . 1 1 62 62 ASP HA H 561 4.847 4.847 4.812 0.035 18467 322 1 1 . 1 1 62 62 ASP C C 561 173.909 173.909 175.608 -1.699 18467 323 1 1 . 1 1 62 62 ASP CA C 561 52.302 52.302 52.835 -0.533 18467 324 1 1 . 1 1 62 62 ASP CB C 561 41.362 41.362 43.334 -1.972 18467 325 1 1 . 1 1 62 62 ASP H H 561 7.532 7.532 7.594 -0.062 18467 326 1 1 . 1 1 63 63 ALA N N 562 125.643 125.643 129.644 -4.001 18467 327 1 1 . 1 1 63 63 ALA HA H 562 4.019 4.019 3.872 0.147 18467 328 1 1 . 1 1 63 63 ALA C C 562 180.109 180.109 178.768 1.341 18467 329 1 1 . 1 1 63 63 ALA CA C 562 55.660 55.660 55.640 0.020 18467 330 1 1 . 1 1 63 63 ALA CB C 562 18.980 18.980 19.028 -0.048 18467 331 1 1 . 1 1 63 63 ALA H H 562 8.372 8.372 8.763 -0.391 18467 332 1 1 . 1 1 64 64 LYS N N 563 117.354 117.354 117.731 -0.377 18467 333 1 1 . 1 1 64 64 LYS HA H 563 4.116 4.116 4.001 0.115 18467 334 1 1 . 1 1 64 64 LYS C C 563 179.293 179.293 178.655 0.638 18467 335 1 1 . 1 1 64 64 LYS CA C 563 59.459 59.459 58.758 0.701 18467 336 1 1 . 1 1 64 64 LYS CB C 563 32.165 32.165 31.351 0.814 18467 337 1 1 . 1 1 64 64 LYS H H 563 8.111 8.111 8.155 -0.044 18467 338 1 1 . 1 1 65 65 GLU N N 564 120.953 120.953 120.898 0.055 18467 339 1 1 . 1 1 65 65 GLU HA H 564 4.207 4.207 4.052 0.155 18467 340 1 1 . 1 1 65 65 GLU C C 564 179.679 179.679 178.428 1.251 18467 341 1 1 . 1 1 65 65 GLU CA C 564 58.683 58.683 58.879 -0.196 18467 342 1 1 . 1 1 65 65 GLU CB C 564 29.403 29.403 29.349 0.053 18467 343 1 1 . 1 1 65 65 GLU H H 564 7.725 7.725 8.225 -0.500 18467 344 1 1 . 1 1 66 66 LEU N N 565 120.534 120.534 120.966 -0.432 18467 345 1 1 . 1 1 66 66 LEU HA H 565 4.117 4.117 3.724 0.393 18467 346 1 1 . 1 1 66 66 LEU C C 565 178.692 178.692 178.335 0.357 18467 347 1 1 . 1 1 66 66 LEU CA C 565 57.883 57.883 57.738 0.145 18467 348 1 1 . 1 1 66 66 LEU CB C 565 40.916 40.916 41.711 -0.795 18467 349 1 1 . 1 1 66 66 LEU H H 565 8.668 8.668 8.130 0.538 18467 350 1 1 . 1 1 67 67 ALA N N 566 119.170 119.170 120.359 -1.189 18467 351 1 1 . 1 1 67 67 ALA HA H 566 3.904 3.904 3.795 0.109 18467 352 1 1 . 1 1 67 67 ALA C C 566 179.042 179.042 179.290 -0.248 18467 353 1 1 . 1 1 67 67 ALA CA C 566 55.916 55.916 55.276 0.640 18467 354 1 1 . 1 1 67 67 ALA CB C 566 17.972 17.972 17.804 0.168 18467 355 1 1 . 1 1 67 67 ALA H H 566 8.474 8.474 8.644 -0.170 18467 356 1 1 . 1 1 68 68 ASN N N 567 115.725 115.725 116.988 -1.263 18467 357 1 1 . 1 1 68 68 ASN HA H 567 4.479 4.479 4.450 0.029 18467 358 1 1 . 1 1 68 68 ASN CA C 567 57.014 57.014 55.882 1.132 18467 359 1 1 . 1 1 68 68 ASN CB C 567 38.597 38.597 38.218 0.379 18467 360 1 1 . 1 1 68 68 ASN H H 567 7.555 7.555 7.830 -0.275 18467 361 1 1 . 1 1 69 69 ILE N N 568 118.231 118.231 118.446 -0.215 18467 362 1 1 . 1 1 69 69 ILE HA H 568 4.125 4.125 4.023 0.102 18467 363 1 1 . 1 1 69 69 ILE C C 568 179.766 179.766 178.412 1.354 18467 364 1 1 . 1 1 69 69 ILE CA C 568 64.168 64.168 63.944 0.224 18467 365 1 1 . 1 1 69 69 ILE CB C 568 38.547 38.547 38.400 0.147 18467 366 1 1 . 1 1 69 69 ILE H H 568 7.832 7.832 7.388 0.444 18467 367 1 1 . 1 1 70 70 LEU N N 569 120.962 120.962 122.542 -1.580 18467 368 1 1 . 1 1 70 70 LEU HA H 569 4.114 4.114 3.873 0.241 18467 369 1 1 . 1 1 70 70 LEU C C 569 179.633 179.633 178.738 0.895 18467 370 1 1 . 1 1 70 70 LEU CA C 569 58.463 58.463 58.047 0.416 18467 371 1 1 . 1 1 70 70 LEU CB C 569 42.056 42.056 41.600 0.456 18467 372 1 1 . 1 1 70 70 LEU H H 569 8.705 8.705 8.215 0.490 18467 373 1 1 . 1 1 71 71 LYS N N 570 116.318 116.318 118.339 -2.021 18467 374 1 1 . 1 1 71 71 LYS HA H 570 3.933 3.933 4.003 -0.070 18467 375 1 1 . 1 1 71 71 LYS C C 570 177.691 177.691 178.403 -0.712 18467 376 1 1 . 1 1 71 71 LYS CA C 570 60.750 60.750 59.197 1.552 18467 377 1 1 . 1 1 71 71 LYS CB C 570 32.439 32.439 32.326 0.113 18467 378 1 1 . 1 1 71 71 LYS H H 570 8.889 8.889 8.342 0.547 18467 379 1 1 . 1 1 72 72 TYR N N 571 119.628 119.628 117.779 1.849 18467 380 1 1 . 1 1 72 72 TYR HA H 571 4.596 4.596 4.440 0.156 18467 381 1 1 . 1 1 72 72 TYR C C 571 171.958 171.958 175.979 -4.021 18467 382 1 1 . 1 1 72 72 TYR CA C 571 59.022 59.022 59.558 -0.536 18467 383 1 1 . 1 1 72 72 TYR CB C 571 38.970 38.970 38.583 0.387 18467 384 1 1 . 1 1 72 72 TYR H H 571 7.557 7.557 7.941 -0.384 18467 385 1 1 . 1 1 73 73 HIS N N 572 108.692 108.692 115.743 -7.051 18467 386 1 1 . 1 1 73 73 HIS HA H 572 4.206 4.206 4.418 -0.212 18467 387 1 1 . 1 1 73 73 HIS C C 572 173.668 173.668 174.395 -0.727 18467 388 1 1 . 1 1 73 73 HIS CA C 572 58.880 58.880 57.784 1.096 18467 389 1 1 . 1 1 73 73 HIS CB C 572 28.164 28.164 29.835 -1.671 18467 390 1 1 . 1 1 73 73 HIS H H 572 7.583 7.583 7.702 -0.119 18467 391 1 1 . 1 1 74 74 ILE N N 573 117.585 117.585 119.671 -2.086 18467 392 1 1 . 1 1 74 74 ILE HA H 573 5.236 5.236 4.607 0.629 18467 393 1 1 . 1 1 74 74 ILE C C 573 175.634 175.634 175.256 0.378 18467 394 1 1 . 1 1 74 74 ILE CA C 573 59.501 59.501 60.240 -0.739 18467 395 1 1 . 1 1 74 74 ILE CB C 573 40.955 40.955 39.424 1.531 18467 396 1 1 . 1 1 74 74 ILE H H 573 7.283 7.283 7.297 -0.014 18467 397 1 1 . 1 1 75 75 GLY N N 574 111.783 111.783 113.149 -1.366 18467 398 1 1 . 1 1 75 75 GLY C C 574 173.914 173.914 175.535 -1.621 18467 399 1 1 . 1 1 75 75 GLY CA C 574 43.960 43.960 44.139 -0.179 18467 400 1 1 . 1 1 75 75 GLY H H 574 10.218 10.218 9.095 1.123 18467 401 1 1 . 1 1 76 76 ASP N N 575 120.537 120.537 119.097 1.440 18467 402 1 1 . 1 1 76 76 ASP HA H 575 4.759 4.759 4.564 0.195 18467 403 1 1 . 1 1 76 76 ASP C C 575 174.756 174.756 175.583 -0.827 18467 404 1 1 . 1 1 76 76 ASP CA C 575 53.707 53.707 55.170 -1.463 18467 405 1 1 . 1 1 76 76 ASP CB C 575 41.029 41.029 41.601 -0.572 18467 406 1 1 . 1 1 76 76 ASP H H 575 8.361 8.361 8.230 0.131 18467 407 1 1 . 1 1 77 77 GLU N N 576 114.270 114.270 115.434 -1.164 18467 408 1 1 . 1 1 77 77 GLU HA H 576 4.472 4.472 4.522 -0.050 18467 409 1 1 . 1 1 77 77 GLU CA C 576 54.500 54.500 54.070 0.430 18467 410 1 1 . 1 1 77 77 GLU CB C 576 33.422 33.422 31.858 1.564 18467 411 1 1 . 1 1 77 77 GLU H H 576 7.266 7.266 7.661 -0.395 18467 412 1 1 . 1 1 78 78 ILE N N 577 120.961 120.961 120.907 0.054 18467 413 1 1 . 1 1 78 78 ILE HA H 577 3.570 3.570 4.489 -0.919 18467 414 1 1 . 1 1 78 78 ILE C C 577 174.815 174.815 175.516 -0.701 18467 415 1 1 . 1 1 78 78 ILE CA C 577 62.347 62.347 61.306 1.042 18467 416 1 1 . 1 1 78 78 ILE CB C 577 38.390 38.390 38.144 0.246 18467 417 1 1 . 1 1 78 78 ILE H H 577 8.514 8.514 8.554 -0.040 18467 418 1 1 . 1 1 79 79 LEU N N 578 132.660 132.660 131.604 1.056 18467 419 1 1 . 1 1 79 79 LEU HA H 578 4.779 4.779 4.663 0.116 18467 420 1 1 . 1 1 79 79 LEU C C 578 174.161 174.161 175.469 -1.308 18467 421 1 1 . 1 1 79 79 LEU CA C 578 53.881 53.881 53.467 0.414 18467 422 1 1 . 1 1 79 79 LEU CB C 578 44.088 44.088 42.803 1.286 18467 423 1 1 . 1 1 79 79 LEU H H 578 7.973 7.973 8.955 -0.982 18467 424 1 1 . 1 1 80 80 VAL N N 579 118.506 118.506 119.814 -1.308 18467 425 1 1 . 1 1 80 80 VAL HA H 579 4.767 4.767 4.516 0.251 18467 426 1 1 . 1 1 80 80 VAL C C 579 178.415 178.415 177.443 0.972 18467 427 1 1 . 1 1 80 80 VAL CA C 579 59.505 59.505 60.629 -1.124 18467 428 1 1 . 1 1 80 80 VAL CB C 579 33.491 33.491 33.118 0.373 18467 429 1 1 . 1 1 80 80 VAL H H 579 7.968 7.968 8.015 -0.047 18467 430 1 1 . 1 1 81 81 SER N N 580 121.910 121.910 118.742 3.168 18467 431 1 1 . 1 1 81 81 SER HA H 580 3.828 3.828 4.211 -0.383 18467 432 1 1 . 1 1 81 81 SER C C 580 177.014 177.014 176.816 0.198 18467 433 1 1 . 1 1 81 81 SER CA C 580 62.856 62.856 62.168 0.688 18467 434 1 1 . 1 1 81 81 SER CB C 580 62.118 62.118 62.551 -0.433 18467 435 1 1 . 1 1 81 81 SER H H 580 11.091 11.091 9.108 1.983 18467 436 1 1 . 1 1 82 82 GLY N N 581 107.507 107.507 108.888 -1.381 18467 437 1 1 . 1 1 82 82 GLY C C 581 174.753 174.753 174.939 -0.186 18467 438 1 1 . 1 1 82 82 GLY CA C 581 45.933 45.933 45.413 0.520 18467 439 1 1 . 1 1 82 82 GLY H H 581 8.283 8.283 8.784 -0.501 18467 440 1 1 . 1 1 83 83 GLY N N 582 107.844 107.844 108.434 -0.590 18467 441 1 1 . 1 1 83 83 GLY C C 582 174.383 174.383 174.134 0.249 18467 442 1 1 . 1 1 83 83 GLY CA C 582 44.437 44.437 44.372 0.065 18467 443 1 1 . 1 1 83 83 GLY H H 582 8.244 8.244 8.076 0.168 18467 444 1 1 . 1 1 84 84 ILE N N 583 120.981 120.981 123.638 -2.657 18467 445 1 1 . 1 1 84 84 ILE HA H 583 3.820 3.820 3.938 -0.118 18467 446 1 1 . 1 1 84 84 ILE C C 583 175.634 175.634 175.614 0.020 18467 447 1 1 . 1 1 84 84 ILE CA C 583 62.879 62.879 62.092 0.787 18467 448 1 1 . 1 1 84 84 ILE CB C 583 39.028 39.028 36.820 2.208 18467 449 1 1 . 1 1 84 84 ILE H H 583 7.307 7.307 7.520 -0.213 18467 450 1 1 . 1 1 85 85 GLY N N 584 112.078 112.078 114.347 -2.269 18467 451 1 1 . 1 1 85 85 GLY C C 584 173.113 173.113 174.277 -1.164 18467 452 1 1 . 1 1 85 85 GLY CA C 584 45.639 45.639 44.057 1.582 18467 453 1 1 . 1 1 85 85 GLY H H 584 7.953 7.953 7.716 0.237 18467 454 1 1 . 1 1 86 86 ALA N N 585 125.109 125.109 122.184 2.925 18467 455 1 1 . 1 1 86 86 ALA HA H 585 4.312 4.312 4.158 0.154 18467 456 1 1 . 1 1 86 86 ALA C C 585 177.336 177.336 177.611 -0.275 18467 457 1 1 . 1 1 86 86 ALA CA C 585 54.080 54.080 54.567 -0.487 18467 458 1 1 . 1 1 86 86 ALA CB C 585 19.745 19.745 19.227 0.518 18467 459 1 1 . 1 1 86 86 ALA H H 585 8.295 8.295 8.330 -0.035 18467 460 1 1 . 1 1 87 87 LEU N N 586 118.488 118.488 117.406 1.082 18467 461 1 1 . 1 1 87 87 LEU HA H 586 4.716 4.716 4.884 -0.168 18467 462 1 1 . 1 1 87 87 LEU C C 586 175.578 175.578 175.107 0.471 18467 463 1 1 . 1 1 87 87 LEU CA C 586 56.100 56.100 54.677 1.423 18467 464 1 1 . 1 1 87 87 LEU CB C 586 43.651 43.651 44.496 -0.845 18467 465 1 1 . 1 1 87 87 LEU H H 586 7.801 7.801 7.579 0.222 18467 466 1 1 . 1 1 88 88 VAL N N 587 127.976 127.976 126.510 1.466 18467 467 1 1 . 1 1 88 88 VAL HA H 587 4.308 4.308 4.400 -0.092 18467 468 1 1 . 1 1 88 88 VAL C C 587 174.142 174.142 174.521 -0.379 18467 469 1 1 . 1 1 88 88 VAL CA C 587 61.428 61.428 60.969 0.459 18467 470 1 1 . 1 1 88 88 VAL CB C 587 35.784 35.784 34.353 1.431 18467 471 1 1 . 1 1 88 88 VAL H H 587 9.510 9.510 9.211 0.299 18467 472 1 1 . 1 1 89 89 ARG N N 588 125.359 125.359 126.435 -1.076 18467 473 1 1 . 1 1 89 89 ARG HA H 588 5.257 5.257 5.241 0.016 18467 474 1 1 . 1 1 89 89 ARG C C 588 175.003 175.003 175.464 -0.461 18467 475 1 1 . 1 1 89 89 ARG CA C 588 54.807 54.807 55.239 -0.432 18467 476 1 1 . 1 1 89 89 ARG H H 588 8.622 8.622 8.537 0.085 18467 477 1 1 . 1 1 90 90 LEU N N 589 127.862 127.862 126.054 1.808 18467 478 1 1 . 1 1 90 90 LEU HA H 589 4.572 4.572 4.732 -0.160 18467 479 1 1 . 1 1 90 90 LEU C C 589 174.955 174.955 175.138 -0.183 18467 480 1 1 . 1 1 90 90 LEU CA C 589 53.115 53.115 53.194 -0.079 18467 481 1 1 . 1 1 90 90 LEU CB C 589 46.021 46.021 46.081 -0.060 18467 482 1 1 . 1 1 90 90 LEU H H 589 8.830 8.830 9.010 -0.180 18467 483 1 1 . 1 1 91 91 LYS N N 590 129.215 129.215 123.533 5.682 18467 484 1 1 . 1 1 91 91 LYS HA H 590 4.062 4.062 4.722 -0.660 18467 485 1 1 . 1 1 91 91 LYS C C 590 174.635 174.635 176.370 -1.735 18467 486 1 1 . 1 1 91 91 LYS CA C 590 58.307 58.307 57.200 1.107 18467 487 1 1 . 1 1 91 91 LYS CB C 590 32.514 32.514 33.385 -0.871 18467 488 1 1 . 1 1 91 91 LYS H H 590 9.429 9.429 8.576 0.853 18467 489 1 1 . 1 1 92 92 SER N N 591 121.512 121.512 113.923 7.589 18467 490 1 1 . 1 1 92 92 SER HA H 591 5.581 5.581 5.305 0.276 18467 491 1 1 . 1 1 92 92 SER C C 591 178.007 178.007 175.199 2.808 18467 492 1 1 . 1 1 92 92 SER CA C 591 58.234 58.234 56.168 2.066 18467 493 1 1 . 1 1 92 92 SER CB C 591 67.287 67.287 66.301 0.986 18467 494 1 1 . 1 1 92 92 SER H H 591 7.995 7.995 8.265 -0.270 18467 495 1 1 . 1 1 93 93 LEU N N 592 121.124 121.124 120.090 1.034 18467 496 1 1 . 1 1 93 93 LEU HA H 592 4.300 4.300 4.362 -0.062 18467 497 1 1 . 1 1 93 93 LEU C C 592 178.518 178.518 178.548 -0.030 18467 498 1 1 . 1 1 93 93 LEU CA C 592 57.245 57.245 56.922 0.323 18467 499 1 1 . 1 1 93 93 LEU CB C 592 41.313 41.313 42.161 -0.848 18467 500 1 1 . 1 1 93 93 LEU H H 592 9.336 9.336 8.471 0.865 18467 501 1 1 . 1 1 94 94 GLN N N 593 118.739 118.739 118.160 0.579 18467 502 1 1 . 1 1 94 94 GLN HA H 593 4.249 4.249 4.134 0.115 18467 503 1 1 . 1 1 94 94 GLN C C 593 176.082 176.082 177.225 -1.143 18467 504 1 1 . 1 1 94 94 GLN CA C 593 56.540 56.540 57.596 -1.056 18467 505 1 1 . 1 1 94 94 GLN CB C 593 27.654 27.654 29.518 -1.864 18467 506 1 1 . 1 1 94 94 GLN H H 593 7.491 7.491 7.772 -0.281 18467 507 1 1 . 1 1 95 95 GLY N N 594 109.382 109.382 105.362 4.020 18467 508 1 1 . 1 1 95 95 GLY C C 594 174.393 174.393 174.265 0.128 18467 509 1 1 . 1 1 95 95 GLY CA C 594 45.457 45.457 44.703 0.754 18467 510 1 1 . 1 1 95 95 GLY H H 594 7.631 7.631 7.941 -0.310 18467 511 1 1 . 1 1 96 96 ASP N N 595 121.087 121.087 121.258 -0.171 18467 512 1 1 . 1 1 96 96 ASP HA H 595 4.863 4.863 4.924 -0.061 18467 513 1 1 . 1 1 96 96 ASP C C 595 177.273 177.273 174.557 2.716 18467 514 1 1 . 1 1 96 96 ASP CA C 595 54.520 54.520 53.091 1.429 18467 515 1 1 . 1 1 96 96 ASP CB C 595 41.277 41.277 42.671 -1.394 18467 516 1 1 . 1 1 96 96 ASP H H 595 8.650 8.650 8.097 0.553 18467 517 1 1 . 1 1 97 97 LYS N N 596 119.713 119.713 118.121 1.592 18467 518 1 1 . 1 1 97 97 LYS HA H 596 5.025 5.025 4.864 0.161 18467 519 1 1 . 1 1 97 97 LYS C C 596 176.566 176.566 175.975 0.591 18467 520 1 1 . 1 1 97 97 LYS CA C 596 56.274 56.274 54.826 1.448 18467 521 1 1 . 1 1 97 97 LYS CB C 596 33.771 33.771 34.987 -1.216 18467 522 1 1 . 1 1 97 97 LYS H H 596 9.028 9.028 8.274 0.754 18467 523 1 1 . 1 1 98 98 LEU N N 597 125.754 125.754 124.347 1.407 18467 524 1 1 . 1 1 98 98 LEU HA H 597 4.398 4.398 4.747 -0.349 18467 525 1 1 . 1 1 98 98 LEU C C 597 176.144 176.144 176.138 0.006 18467 526 1 1 . 1 1 98 98 LEU CA C 597 53.899 53.899 53.886 0.012 18467 527 1 1 . 1 1 98 98 LEU CB C 597 45.148 45.148 42.713 2.435 18467 528 1 1 . 1 1 98 98 LEU H H 597 9.336 9.336 9.319 0.017 18467 529 1 1 . 1 1 99 99 GLU N N 598 121.101 121.101 126.054 -4.953 18467 530 1 1 . 1 1 99 99 GLU HA H 598 4.662 4.662 4.420 0.242 18467 531 1 1 . 1 1 99 99 GLU C C 598 175.132 175.132 175.336 -0.204 18467 532 1 1 . 1 1 99 99 GLU CA C 598 55.714 55.714 55.245 0.469 18467 533 1 1 . 1 1 99 99 GLU CB C 598 30.542 30.542 29.911 0.631 18467 534 1 1 . 1 1 99 99 GLU H H 598 8.368 8.368 9.390 -1.022 18467 535 1 1 . 1 1 100 100 VAL N N 599 130.595 130.595 128.843 1.752 18467 536 1 1 . 1 1 100 100 VAL HA H 599 5.046 5.046 5.066 -0.020 18467 537 1 1 . 1 1 100 100 VAL C C 599 173.759 173.759 175.068 -1.309 18467 538 1 1 . 1 1 100 100 VAL CA C 599 61.081 61.081 61.138 -0.057 18467 539 1 1 . 1 1 100 100 VAL CB C 599 32.873 32.873 32.085 0.788 18467 540 1 1 . 1 1 100 100 VAL H H 599 9.337 9.337 8.184 1.153 18467 541 1 1 . 1 1 101 101 SER N N 600 119.887 119.887 121.862 -1.975 18467 542 1 1 . 1 1 101 101 SER HA H 600 4.943 4.943 5.043 -0.100 18467 543 1 1 . 1 1 101 101 SER C C 600 171.934 171.934 172.290 -0.356 18467 544 1 1 . 1 1 101 101 SER CA C 600 56.540 56.540 56.440 0.100 18467 545 1 1 . 1 1 101 101 SER CB C 600 67.405 67.405 66.773 0.632 18467 546 1 1 . 1 1 101 101 SER H H 600 9.033 9.033 9.252 -0.219 18467 547 1 1 . 1 1 102 102 LEU N N 601 123.007 123.007 124.635 -1.628 18467 548 1 1 . 1 1 102 102 LEU HA H 601 5.047 5.047 5.046 0.001 18467 549 1 1 . 1 1 102 102 LEU C C 601 175.767 175.767 175.008 0.759 18467 550 1 1 . 1 1 102 102 LEU CA C 601 54.324 54.324 54.194 0.130 18467 551 1 1 . 1 1 102 102 LEU CB C 601 45.374 45.374 44.582 0.792 18467 552 1 1 . 1 1 102 102 LEU H H 601 7.930 7.930 8.562 -0.632 18467 553 1 1 . 1 1 103 103 LYS N N 602 126.480 126.480 127.341 -0.861 18467 554 1 1 . 1 1 103 103 LYS HA H 602 4.457 4.457 4.620 -0.163 18467 555 1 1 . 1 1 103 103 LYS CA C 602 55.707 55.707 55.342 0.365 18467 556 1 1 . 1 1 103 103 LYS CB C 602 35.032 35.032 33.772 1.260 18467 557 1 1 . 1 1 103 103 LYS H H 602 8.335 8.335 8.980 -0.645 18467 558 1 1 . 1 1 104 104 ASN HA H 603 4.296 4.296 4.372 -0.076 18467 559 1 1 . 1 1 104 104 ASN C C 603 174.156 174.156 174.716 -0.560 18467 560 1 1 . 1 1 104 104 ASN CA C 603 54.724 54.724 53.973 0.751 18467 561 1 1 . 1 1 104 104 ASN CB C 603 37.168 37.168 37.827 -0.659 18467 562 1 1 . 1 1 105 105 ASN N N 604 108.763 108.763 111.553 -2.790 18467 563 1 1 . 1 1 105 105 ASN HA H 604 4.167 4.167 4.289 -0.122 18467 564 1 1 . 1 1 105 105 ASN C C 604 173.754 173.754 173.807 -0.053 18467 565 1 1 . 1 1 105 105 ASN CA C 604 55.146 55.146 54.441 0.705 18467 566 1 1 . 1 1 105 105 ASN CB C 604 38.249 38.249 38.512 -0.263 18467 567 1 1 . 1 1 105 105 ASN H H 604 8.682 8.682 8.488 0.194 18467 568 1 1 . 1 1 106 106 VAL N N 605 121.612 121.612 121.192 0.420 18467 569 1 1 . 1 1 106 106 VAL HA H 605 4.285 4.285 4.234 0.051 18467 570 1 1 . 1 1 106 106 VAL C C 605 176.332 176.332 175.228 1.104 18467 571 1 1 . 1 1 106 106 VAL CA C 605 62.112 62.112 61.981 0.131 18467 572 1 1 . 1 1 106 106 VAL CB C 605 34.425 34.425 32.460 1.965 18467 573 1 1 . 1 1 106 106 VAL H H 605 7.906 7.906 7.315 0.591 18467 574 1 1 . 1 1 107 107 VAL N N 606 133.233 133.233 129.171 4.062 18467 575 1 1 . 1 1 107 107 VAL HA H 606 4.615 4.615 4.801 -0.186 18467 576 1 1 . 1 1 107 107 VAL C C 606 174.697 174.697 175.946 -1.249 18467 577 1 1 . 1 1 107 107 VAL CA C 606 61.712 61.712 62.105 -0.393 18467 578 1 1 . 1 1 107 107 VAL CB C 606 32.254 32.254 33.029 -0.775 18467 579 1 1 . 1 1 107 107 VAL H H 606 9.422 9.422 8.732 0.691 18467 580 1 1 . 1 1 108 108 SER N N 607 120.829 120.829 122.203 -1.374 18467 581 1 1 . 1 1 108 108 SER HA H 607 5.360 5.360 5.223 0.137 18467 582 1 1 . 1 1 108 108 SER C C 607 171.938 171.938 172.378 -0.440 18467 583 1 1 . 1 1 108 108 SER CA C 607 57.031 57.031 57.379 -0.348 18467 584 1 1 . 1 1 108 108 SER CB C 607 66.490 66.490 66.197 0.293 18467 585 1 1 . 1 1 108 108 SER H H 607 9.113 9.113 9.162 -0.049 18467 586 1 1 . 1 1 109 109 VAL N N 608 121.130 121.130 122.305 -1.175 18467 587 1 1 . 1 1 109 109 VAL HA H 608 4.797 4.797 4.638 0.159 18467 588 1 1 . 1 1 109 109 VAL C C 608 173.930 173.930 174.494 -0.564 18467 589 1 1 . 1 1 109 109 VAL CA C 608 57.351 57.351 59.786 -2.435 18467 590 1 1 . 1 1 109 109 VAL CB C 608 33.964 33.964 33.690 0.274 18467 591 1 1 . 1 1 109 109 VAL H H 608 9.120 9.120 9.035 0.085 18467 592 1 1 . 1 1 110 110 ASN N N 609 128.284 128.284 126.962 1.322 18467 593 1 1 . 1 1 110 110 ASN HA H 609 4.271 4.271 4.347 -0.076 18467 594 1 1 . 1 1 110 110 ASN C C 609 175.369 175.369 174.722 0.647 18467 595 1 1 . 1 1 110 110 ASN CA C 609 54.004 54.004 54.627 -0.623 18467 596 1 1 . 1 1 110 110 ASN CB C 609 35.927 35.927 36.327 -0.400 18467 597 1 1 . 1 1 110 110 ASN H H 609 9.777 9.777 9.104 0.673 18467 598 1 1 . 1 1 111 111 LYS N N 610 107.711 107.711 109.524 -1.813 18467 599 1 1 . 1 1 111 111 LYS HA H 610 3.660 3.660 3.928 -0.268 18467 600 1 1 . 1 1 111 111 LYS C C 610 175.573 175.573 175.562 0.011 18467 601 1 1 . 1 1 111 111 LYS CA C 610 58.404 58.404 58.259 0.145 18467 602 1 1 . 1 1 111 111 LYS CB C 610 30.549 30.549 31.423 -0.874 18467 603 1 1 . 1 1 111 111 LYS H H 610 8.290 8.290 8.113 0.177 18467 604 1 1 . 1 1 112 112 GLU N N 611 125.822 125.822 119.985 5.837 18467 605 1 1 . 1 1 112 112 GLU HA H 611 4.763 4.763 4.765 -0.002 18467 606 1 1 . 1 1 112 112 GLU CA C 611 52.981 52.981 53.228 -0.247 18467 607 1 1 . 1 1 112 112 GLU CB C 611 29.509 29.509 30.114 -0.605 18467 608 1 1 . 1 1 112 112 GLU H H 611 8.595 8.595 7.539 1.056 18467 609 1 1 . 1 1 113 113 PRO HA H 612 4.682 4.682 4.573 0.109 18467 610 1 1 . 1 1 113 113 PRO C C 612 177.310 177.310 176.252 1.058 18467 611 1 1 . 1 1 113 113 PRO CA C 612 62.649 62.649 62.928 -0.279 18467 612 1 1 . 1 1 113 113 PRO CB C 612 32.139 32.139 32.057 0.082 18467 613 1 1 . 1 1 114 114 VAL N N 613 124.773 124.773 122.547 2.226 18467 614 1 1 . 1 1 114 114 VAL HA H 613 4.274 4.274 4.013 0.261 18467 615 1 1 . 1 1 114 114 VAL C C 613 176.558 176.558 175.849 0.709 18467 616 1 1 . 1 1 114 114 VAL CA C 613 62.350 62.350 61.792 0.558 18467 617 1 1 . 1 1 114 114 VAL CB C 613 32.473 32.473 32.989 -0.516 18467 618 1 1 . 1 1 114 114 VAL H H 613 9.214 9.214 8.611 0.603 18467 619 1 1 . 1 1 115 115 ALA N N 614 132.583 132.583 130.189 2.394 18467 620 1 1 . 1 1 115 115 ALA HA H 614 4.321 4.321 4.437 -0.116 18467 621 1 1 . 1 1 115 115 ALA C C 614 178.354 178.354 176.948 1.406 18467 622 1 1 . 1 1 115 115 ALA CA C 614 53.995 53.995 53.171 0.824 18467 623 1 1 . 1 1 115 115 ALA CB C 614 19.616 19.616 20.222 -0.606 18467 624 1 1 . 1 1 115 115 ALA H H 614 8.935 8.935 9.035 -0.100 18467 625 1 1 . 1 1 116 116 GLU N N 615 115.172 115.172 118.533 -3.361 18467 626 1 1 . 1 1 116 116 GLU HA H 615 4.866 4.866 4.900 -0.034 18467 627 1 1 . 1 1 116 116 GLU CA C 615 53.432 53.432 52.956 0.476 18467 628 1 1 . 1 1 116 116 GLU CB C 615 31.554 31.554 32.014 -0.460 18467 629 1 1 . 1 1 116 116 GLU H H 615 6.867 6.867 7.798 -0.931 18467 630 1 1 . 1 1 117 117 PRO HA H 616 5.651 5.651 4.913 0.738 18467 631 1 1 . 1 1 117 117 PRO C C 616 177.099 177.099 176.675 0.424 18467 632 1 1 . 1 1 117 117 PRO CA C 616 61.960 61.960 63.263 -1.303 18467 633 1 1 . 1 1 117 117 PRO CB C 616 33.618 33.618 32.422 1.196 18467 634 1 1 . 1 1 118 118 ASP N N 617 114.290 114.290 119.416 -5.126 18467 635 1 1 . 1 1 118 118 ASP HA H 617 3.881 3.881 4.146 -0.265 18467 636 1 1 . 1 1 118 118 ASP C C 617 174.967 174.967 176.047 -1.080 18467 637 1 1 . 1 1 118 118 ASP CA C 617 54.921 54.921 55.110 -0.189 18467 638 1 1 . 1 1 118 118 ASP CB C 617 37.857 37.857 40.517 -2.660 18467 639 1 1 . 1 1 118 118 ASP H H 617 9.727 9.727 7.934 1.793 18467 640 1 1 . 1 1 119 119 ILE N N 618 121.048 121.048 120.361 0.687 18467 641 1 1 . 1 1 119 119 ILE HA H 618 4.037 4.037 4.286 -0.249 18467 642 1 1 . 1 1 119 119 ILE C C 618 175.869 175.869 175.297 0.572 18467 643 1 1 . 1 1 119 119 ILE CA C 618 62.807 62.807 60.087 2.720 18467 644 1 1 . 1 1 119 119 ILE CB C 618 36.618 36.618 38.247 -1.629 18467 645 1 1 . 1 1 119 119 ILE H H 618 8.750 8.750 8.403 0.347 18467 646 1 1 . 1 1 120 120 MET N N 619 125.674 125.674 127.045 -1.371 18467 647 1 1 . 1 1 120 120 MET HA H 619 4.601 4.601 4.458 0.143 18467 648 1 1 . 1 1 120 120 MET C C 619 174.817 174.817 175.520 -0.703 18467 649 1 1 . 1 1 120 120 MET CA C 619 54.936 54.936 55.674 -0.738 18467 650 1 1 . 1 1 120 120 MET CB C 619 31.313 31.313 33.239 -1.926 18467 651 1 1 . 1 1 120 120 MET H H 619 8.080 8.080 8.567 -0.487 18467 652 1 1 . 1 1 121 121 ALA N N 620 122.849 122.849 125.171 -2.322 18467 653 1 1 . 1 1 121 121 ALA HA H 620 4.902 4.902 4.674 0.228 18467 654 1 1 . 1 1 121 121 ALA C C 620 177.908 177.908 177.739 0.169 18467 655 1 1 . 1 1 121 121 ALA CA C 620 49.986 49.986 50.488 -0.502 18467 656 1 1 . 1 1 121 121 ALA CB C 620 23.115 23.115 21.308 1.807 18467 657 1 1 . 1 1 121 121 ALA H H 620 8.377 8.377 8.617 -0.240 18467 658 1 1 . 1 1 122 122 THR N N 621 111.104 111.104 114.007 -2.903 18467 659 1 1 . 1 1 122 122 THR HA H 621 4.051 4.051 4.287 -0.236 18467 660 1 1 . 1 1 122 122 THR C C 621 176.320 176.320 174.772 1.548 18467 661 1 1 . 1 1 122 122 THR CA C 621 64.524 64.524 64.176 0.348 18467 662 1 1 . 1 1 122 122 THR CB C 621 68.391 68.391 68.741 -0.350 18467 663 1 1 . 1 1 122 122 THR H H 621 9.183 9.183 8.373 0.810 18467 664 1 1 . 1 1 123 123 ASN N N 622 117.445 117.445 116.634 0.811 18467 665 1 1 . 1 1 123 123 ASN HA H 622 5.030 5.030 4.954 0.076 18467 666 1 1 . 1 1 123 123 ASN C C 622 173.263 173.263 174.166 -0.903 18467 667 1 1 . 1 1 123 123 ASN CA C 622 51.203 51.203 52.367 -1.163 18467 668 1 1 . 1 1 123 123 ASN CB C 622 37.076 37.076 39.092 -2.016 18467 669 1 1 . 1 1 123 123 ASN H H 622 7.969 7.969 8.166 -0.197 18467 670 1 1 . 1 1 124 124 GLY N N 623 102.705 102.705 106.826 -4.121 18467 671 1 1 . 1 1 124 124 GLY C C 623 169.925 169.925 171.570 -1.645 18467 672 1 1 . 1 1 124 124 GLY CA C 623 46.709 46.709 45.455 1.254 18467 673 1 1 . 1 1 124 124 GLY H H 623 6.921 6.921 7.232 -0.311 18467 674 1 1 . 1 1 125 125 VAL N N 624 119.913 119.913 118.740 1.173 18467 675 1 1 . 1 1 125 125 VAL HA H 624 4.877 4.877 4.416 0.461 18467 676 1 1 . 1 1 125 125 VAL C C 624 170.887 170.887 173.420 -2.533 18467 677 1 1 . 1 1 125 125 VAL CA C 624 58.527 58.527 59.404 -0.876 18467 678 1 1 . 1 1 125 125 VAL CB C 624 34.967 34.967 36.153 -1.186 18467 679 1 1 . 1 1 125 125 VAL H H 624 8.485 8.485 8.374 0.111 18467 680 1 1 . 1 1 126 126 VAL N N 625 127.599 127.599 126.093 1.506 18467 681 1 1 . 1 1 126 126 VAL HA H 625 4.619 4.619 4.816 -0.197 18467 682 1 1 . 1 1 126 126 VAL C C 625 172.882 172.882 174.189 -1.307 18467 683 1 1 . 1 1 126 126 VAL CA C 625 60.534 60.534 60.306 0.228 18467 684 1 1 . 1 1 126 126 VAL CB C 625 34.184 34.184 35.039 -0.856 18467 685 1 1 . 1 1 126 126 VAL H H 625 9.106 9.106 8.480 0.626 18467 686 1 1 . 1 1 127 127 HIS N N 626 124.292 124.292 123.793 0.499 18467 687 1 1 . 1 1 127 127 HIS HA H 626 5.494 5.494 5.124 0.370 18467 688 1 1 . 1 1 127 127 HIS C C 626 175.629 175.629 174.561 1.068 18467 689 1 1 . 1 1 127 127 HIS CA C 626 53.247 53.247 54.402 -1.155 18467 690 1 1 . 1 1 127 127 HIS CB C 626 34.369 34.369 32.794 1.575 18467 691 1 1 . 1 1 127 127 HIS H H 626 8.754 8.754 8.771 -0.017 18467 692 1 1 . 1 1 128 128 VAL N N 627 124.493 124.493 126.373 -1.880 18467 693 1 1 . 1 1 128 128 VAL HA H 627 4.512 4.512 4.568 -0.056 18467 694 1 1 . 1 1 128 128 VAL C C 627 176.349 176.349 175.425 0.924 18467 695 1 1 . 1 1 128 128 VAL CA C 627 64.730 64.730 63.373 1.357 18467 696 1 1 . 1 1 128 128 VAL CB C 627 32.980 32.980 32.059 0.921 18467 697 1 1 . 1 1 128 128 VAL H H 627 8.812 8.812 8.949 -0.137 18467 698 1 1 . 1 1 129 129 ILE N N 628 121.077 121.077 122.686 -1.609 18467 699 1 1 . 1 1 129 129 ILE HA H 628 5.118 5.118 4.834 0.284 18467 700 1 1 . 1 1 129 129 ILE C C 628 175.190 175.190 176.063 -0.873 18467 701 1 1 . 1 1 129 129 ILE CA C 628 60.217 60.217 59.125 1.092 18467 702 1 1 . 1 1 129 129 ILE CB C 628 42.539 42.539 40.810 1.729 18467 703 1 1 . 1 1 129 129 ILE H H 628 8.629 8.629 9.040 -0.411 18467 704 1 1 . 1 1 130 130 THR N N 629 108.406 108.406 112.859 -4.453 18467 705 1 1 . 1 1 130 130 THR HA H 629 4.671 4.671 4.552 0.119 18467 706 1 1 . 1 1 130 130 THR C C 629 172.980 172.980 173.888 -0.908 18467 707 1 1 . 1 1 130 130 THR CA C 629 61.381 61.381 61.460 -0.079 18467 708 1 1 . 1 1 130 130 THR CB C 629 68.784 68.784 69.437 -0.653 18467 709 1 1 . 1 1 130 130 THR H H 629 9.368 9.368 8.779 0.589 18467 710 1 1 . 1 1 131 131 ASN N N 630 117.533 117.533 117.348 0.185 18467 711 1 1 . 1 1 131 131 ASN HA H 630 4.754 4.754 4.907 -0.153 18467 712 1 1 . 1 1 131 131 ASN C C 630 172.493 172.493 173.919 -1.426 18467 713 1 1 . 1 1 131 131 ASN CA C 630 52.575 52.575 51.546 1.029 18467 714 1 1 . 1 1 131 131 ASN CB C 630 43.079 43.079 40.834 2.244 18467 715 1 1 . 1 1 131 131 ASN H H 630 7.355 7.355 7.610 -0.255 18467 716 1 1 . 1 1 132 132 VAL N N 631 117.886 117.886 120.091 -2.205 18467 717 1 1 . 1 1 132 132 VAL HA H 631 3.914 3.914 4.371 -0.457 18467 718 1 1 . 1 1 132 132 VAL C C 631 176.909 176.909 175.635 1.274 18467 719 1 1 . 1 1 132 132 VAL CA C 631 62.424 62.424 62.008 0.416 18467 720 1 1 . 1 1 132 132 VAL CB C 631 32.453 32.453 32.967 -0.514 18467 721 1 1 . 1 1 132 132 VAL H H 631 8.087 8.087 8.360 -0.273 18467 722 1 1 . 1 1 133 133 LEU N N 632 130.948 130.948 123.959 6.989 18467 723 1 1 . 1 1 133 133 LEU HA H 632 4.220 4.220 4.604 -0.384 18467 724 1 1 . 1 1 133 133 LEU CA C 632 55.468 55.468 54.078 1.390 18467 725 1 1 . 1 1 133 133 LEU H H 632 10.937 10.937 8.765 2.172 18467 726 1 1 . 1 1 134 134 GLN N N 633 118.157 118.157 121.797 -3.640 18467 727 1 1 . 1 1 134 134 GLN HA H 633 4.361 4.361 4.692 -0.331 18467 728 1 1 . 1 1 134 134 GLN CA C 633 55.043 55.043 53.727 1.316 18467 729 1 1 . 1 1 134 134 GLN CB C 633 31.449 31.449 31.127 0.322 18467 730 1 1 . 1 1 134 134 GLN H H 633 7.992 7.992 8.445 -0.453 18467 731 1 2 . 1 1 3 3 MET C C 502 175.861 175.861 176.159 -0.298 18467 732 1 2 . 1 1 3 3 MET CA C 502 55.905 55.905 53.925 1.980 18467 733 1 2 . 1 1 3 3 MET CB C 502 34.158 34.158 33.973 0.185 18467 734 1 2 . 1 1 4 4 GLY N N 503 111.094 111.094 111.207 -0.113 18467 735 1 2 . 1 1 4 4 GLY C C 503 173.998 173.998 173.845 0.153 18467 736 1 2 . 1 1 4 4 GLY CA C 503 44.482 44.482 44.268 0.214 18467 737 1 2 . 1 1 4 4 GLY H H 503 8.376 8.376 9.255 -0.879 18467 738 1 2 . 1 1 5 5 THR N N 504 111.539 111.539 111.596 -0.057 18467 739 1 2 . 1 1 5 5 THR HA H 504 4.440 4.440 4.429 0.011 18467 740 1 2 . 1 1 5 5 THR C C 504 176.360 176.360 176.527 -0.167 18467 741 1 2 . 1 1 5 5 THR CA C 504 61.986 61.986 60.022 1.964 18467 742 1 2 . 1 1 5 5 THR CB C 504 73.034 73.034 71.229 1.805 18467 743 1 2 . 1 1 5 5 THR H H 504 9.233 9.233 7.877 1.356 18467 744 1 2 . 1 1 6 6 VAL N N 505 118.212 118.212 120.256 -2.044 18467 745 1 2 . 1 1 6 6 VAL HA H 505 3.250 3.250 3.582 -0.332 18467 746 1 2 . 1 1 6 6 VAL C C 505 177.264 177.264 178.053 -0.789 18467 747 1 2 . 1 1 6 6 VAL CA C 505 67.200 67.200 67.353 -0.153 18467 748 1 2 . 1 1 6 6 VAL CB C 505 31.657 31.657 31.140 0.517 18467 749 1 2 . 1 1 6 6 VAL H H 505 9.918 9.918 9.271 0.647 18467 750 1 2 . 1 1 7 7 MET N N 506 114.107 114.107 118.166 -4.059 18467 751 1 2 . 1 1 7 7 MET HA H 506 4.361 4.361 4.110 0.251 18467 752 1 2 . 1 1 7 7 MET C C 506 178.097 178.097 177.893 0.204 18467 753 1 2 . 1 1 7 7 MET CA C 506 56.075 56.075 58.218 -2.143 18467 754 1 2 . 1 1 7 7 MET CB C 506 30.910 30.910 32.072 -1.163 18467 755 1 2 . 1 1 7 7 MET H H 506 6.975 6.975 7.669 -0.694 18467 756 1 2 . 1 1 8 8 ASP N N 507 120.374 120.374 120.127 0.247 18467 757 1 2 . 1 1 8 8 ASP HA H 507 4.255 4.255 4.423 -0.168 18467 758 1 2 . 1 1 8 8 ASP C C 507 179.824 179.824 178.506 1.318 18467 759 1 2 . 1 1 8 8 ASP CA C 507 58.088 58.088 57.650 0.438 18467 760 1 2 . 1 1 8 8 ASP CB C 507 40.526 40.526 40.797 -0.272 18467 761 1 2 . 1 1 8 8 ASP H H 507 7.430 7.430 7.664 -0.234 18467 762 1 2 . 1 1 9 9 VAL N N 508 121.326 121.326 119.490 1.836 18467 763 1 2 . 1 1 9 9 VAL HA H 508 3.567 3.567 3.555 0.012 18467 764 1 2 . 1 1 9 9 VAL C C 508 179.115 179.115 177.856 1.259 18467 765 1 2 . 1 1 9 9 VAL CA C 508 66.131 66.131 66.664 -0.533 18467 766 1 2 . 1 1 9 9 VAL CB C 508 31.666 31.666 31.773 -0.107 18467 767 1 2 . 1 1 9 9 VAL H H 508 8.174 8.174 8.244 -0.070 18467 768 1 2 . 1 1 10 10 LEU N N 509 117.258 117.258 117.665 -0.407 18467 769 1 2 . 1 1 10 10 LEU HA H 509 4.039 4.039 4.351 -0.312 18467 770 1 2 . 1 1 10 10 LEU C C 509 179.091 179.091 178.853 0.238 18467 771 1 2 . 1 1 10 10 LEU CA C 509 57.372 57.372 57.041 0.331 18467 772 1 2 . 1 1 10 10 LEU CB C 509 41.839 41.839 41.378 0.461 18467 773 1 2 . 1 1 10 10 LEU H H 509 7.896 7.896 7.479 0.417 18467 774 1 2 . 1 1 11 11 LYS N N 510 114.824 114.824 118.599 -3.775 18467 775 1 2 . 1 1 11 11 LYS HA H 510 3.959 3.959 4.108 -0.149 18467 776 1 2 . 1 1 11 11 LYS C C 510 178.021 178.021 178.813 -0.792 18467 777 1 2 . 1 1 11 11 LYS CA C 510 59.047 59.047 58.724 0.323 18467 778 1 2 . 1 1 11 11 LYS CB C 510 32.771 32.771 32.314 0.457 18467 779 1 2 . 1 1 11 11 LYS H H 510 8.377 8.377 8.121 0.256 18467 780 1 2 . 1 1 12 12 GLY N N 511 104.574 104.574 105.684 -1.110 18467 781 1 2 . 1 1 12 12 GLY C C 511 172.564 172.564 173.456 -0.892 18467 782 1 2 . 1 1 12 12 GLY CA C 511 45.442 45.442 44.785 0.657 18467 783 1 2 . 1 1 12 12 GLY H H 511 7.590 7.590 8.008 -0.418 18467 784 1 2 . 1 1 13 13 ASP N N 512 120.194 120.194 120.183 0.011 18467 785 1 2 . 1 1 13 13 ASP HA H 512 4.992 4.992 4.739 0.253 18467 786 1 2 . 1 1 13 13 ASP CA C 512 52.469 52.469 53.214 -0.745 18467 787 1 2 . 1 1 13 13 ASP CB C 512 43.985 43.985 43.718 0.267 18467 788 1 2 . 1 1 13 13 ASP H H 512 7.074 7.074 7.335 -0.261 18467 789 1 2 . 1 1 14 14 ASN HA H 513 4.447 4.447 4.482 -0.035 18467 790 1 2 . 1 1 14 14 ASN C C 513 176.709 176.709 176.815 -0.106 18467 791 1 2 . 1 1 14 14 ASN CA C 513 55.819 55.819 55.075 0.744 18467 792 1 2 . 1 1 14 14 ASN CB C 513 38.100 38.100 38.468 -0.368 18467 793 1 2 . 1 1 15 15 ARG N N 514 118.980 118.980 118.091 0.889 18467 794 1 2 . 1 1 15 15 ARG HA H 514 4.139 4.139 4.281 -0.142 18467 795 1 2 . 1 1 15 15 ARG C C 514 176.109 176.109 175.851 0.258 18467 796 1 2 . 1 1 15 15 ARG CA C 514 58.061 58.061 58.303 -0.242 18467 797 1 2 . 1 1 15 15 ARG CB C 514 30.691 30.691 29.954 0.737 18467 798 1 2 . 1 1 15 15 ARG H H 514 8.573 8.573 8.787 -0.214 18467 799 1 2 . 1 1 16 16 PHE N N 515 113.150 113.150 117.237 -4.087 18467 800 1 2 . 1 1 16 16 PHE HA H 515 5.793 5.793 5.177 0.616 18467 801 1 2 . 1 1 16 16 PHE C C 515 176.420 176.420 176.230 0.190 18467 802 1 2 . 1 1 16 16 PHE CA C 515 55.966 55.966 55.057 0.909 18467 803 1 2 . 1 1 16 16 PHE CB C 515 38.644 38.644 38.647 -0.002 18467 804 1 2 . 1 1 16 16 PHE H H 515 7.592 7.592 7.630 -0.038 18467 805 1 2 . 1 1 17 17 SER N N 516 116.649 116.649 118.409 -1.760 18467 806 1 2 . 1 1 17 17 SER HA H 516 4.062 4.062 4.216 -0.154 18467 807 1 2 . 1 1 17 17 SER C C 516 178.631 178.631 176.223 2.408 18467 808 1 2 . 1 1 17 17 SER CA C 516 62.695 62.695 61.948 0.747 18467 809 1 2 . 1 1 17 17 SER CB C 516 62.147 62.147 63.311 -1.164 18467 810 1 2 . 1 1 17 17 SER H H 516 7.527 7.527 7.579 -0.052 18467 811 1 2 . 1 1 18 18 MET N N 517 124.591 124.591 121.239 3.352 18467 812 1 2 . 1 1 18 18 MET HA H 517 4.122 4.122 4.374 -0.252 18467 813 1 2 . 1 1 18 18 MET C C 517 177.503 177.503 177.330 0.173 18467 814 1 2 . 1 1 18 18 MET CA C 517 59.707 59.707 57.796 1.911 18467 815 1 2 . 1 1 18 18 MET CB C 517 32.304 32.304 32.278 0.026 18467 816 1 2 . 1 1 18 18 MET H H 517 9.271 9.271 8.434 0.837 18467 817 1 2 . 1 1 19 19 LEU N N 518 123.039 123.039 121.161 1.878 18467 818 1 2 . 1 1 19 19 LEU HA H 518 3.893 3.893 4.038 -0.145 18467 819 1 2 . 1 1 19 19 LEU C C 518 178.414 178.414 177.851 0.563 18467 820 1 2 . 1 1 19 19 LEU CA C 518 58.118 58.118 57.913 0.205 18467 821 1 2 . 1 1 19 19 LEU CB C 518 41.221 41.221 41.790 -0.569 18467 822 1 2 . 1 1 19 19 LEU H H 518 8.587 8.587 7.960 0.627 18467 823 1 2 . 1 1 20 20 VAL N N 519 118.518 118.518 118.286 0.232 18467 824 1 2 . 1 1 20 20 VAL HA H 519 3.322 3.322 3.498 -0.176 18467 825 1 2 . 1 1 20 20 VAL C C 519 178.032 178.032 177.966 0.066 18467 826 1 2 . 1 1 20 20 VAL CA C 519 67.874 67.874 66.618 1.256 18467 827 1 2 . 1 1 20 20 VAL CB C 519 31.600 31.600 31.162 0.438 18467 828 1 2 . 1 1 20 20 VAL H H 519 9.070 9.070 7.887 1.183 18467 829 1 2 . 1 1 21 21 ALA N N 520 122.534 122.534 121.398 1.136 18467 830 1 2 . 1 1 21 21 ALA HA H 520 4.165 4.165 3.867 0.298 18467 831 1 2 . 1 1 21 21 ALA C C 520 180.604 180.604 178.907 1.697 18467 832 1 2 . 1 1 21 21 ALA CA C 520 55.125 55.125 54.914 0.211 18467 833 1 2 . 1 1 21 21 ALA CB C 520 17.702 17.702 18.064 -0.362 18467 834 1 2 . 1 1 21 21 ALA H H 520 7.594 7.594 7.438 0.156 18467 835 1 2 . 1 1 22 22 ALA N N 521 123.185 123.185 121.776 1.409 18467 836 1 2 . 1 1 22 22 ALA HA H 521 3.945 3.945 3.894 0.051 18467 837 1 2 . 1 1 22 22 ALA C C 521 178.468 178.468 179.787 -1.319 18467 838 1 2 . 1 1 22 22 ALA CA C 521 54.905 54.905 54.899 0.006 18467 839 1 2 . 1 1 22 22 ALA CB C 521 17.956 17.956 18.215 -0.259 18467 840 1 2 . 1 1 22 22 ALA H H 521 8.549 8.549 7.761 0.788 18467 841 1 2 . 1 1 23 23 ILE N N 522 120.269 120.269 117.965 2.304 18467 842 1 2 . 1 1 23 23 ILE HA H 522 3.275 3.275 3.606 -0.331 18467 843 1 2 . 1 1 23 23 ILE C C 522 178.024 178.024 177.805 0.219 18467 844 1 2 . 1 1 23 23 ILE CA C 522 66.015 66.015 64.710 1.305 18467 845 1 2 . 1 1 23 23 ILE CB C 522 38.407 38.407 37.428 0.979 18467 846 1 2 . 1 1 23 23 ILE H H 522 8.963 8.963 8.186 0.777 18467 847 1 2 . 1 1 24 24 GLN N N 523 118.677 118.677 121.377 -2.700 18467 848 1 2 . 1 1 24 24 GLN HA H 523 4.169 4.169 4.080 0.089 18467 849 1 2 . 1 1 24 24 GLN C C 523 180.200 180.200 179.459 0.741 18467 850 1 2 . 1 1 24 24 GLN CA C 523 58.567 58.567 58.610 -0.043 18467 851 1 2 . 1 1 24 24 GLN CB C 523 27.611 27.611 28.328 -0.717 18467 852 1 2 . 1 1 24 24 GLN H H 523 7.976 7.976 8.122 -0.146 18467 853 1 2 . 1 1 25 25 SER N N 524 117.810 117.810 115.844 1.966 18467 854 1 2 . 1 1 25 25 SER C C 524 175.679 175.679 175.832 -0.153 18467 855 1 2 . 1 1 25 25 SER CA C 524 62.046 62.046 60.911 1.135 18467 856 1 2 . 1 1 25 25 SER CB C 524 63.015 63.015 63.057 -0.042 18467 857 1 2 . 1 1 25 25 SER H H 524 8.311 8.311 8.464 -0.153 18467 858 1 2 . 1 1 26 26 ALA N N 525 119.017 119.017 120.358 -1.341 18467 859 1 2 . 1 1 26 26 ALA HA H 525 4.307 4.307 4.304 0.003 18467 860 1 2 . 1 1 26 26 ALA C C 525 176.838 176.838 177.918 -1.080 18467 861 1 2 . 1 1 26 26 ALA CA C 525 52.205 52.205 52.301 -0.096 18467 862 1 2 . 1 1 26 26 ALA CB C 525 19.912 19.912 19.107 0.805 18467 863 1 2 . 1 1 26 26 ALA H H 525 8.322 8.322 7.148 1.174 18467 864 1 2 . 1 1 27 27 GLY N N 526 105.650 105.650 106.424 -0.774 18467 865 1 2 . 1 1 27 27 GLY C C 526 176.606 176.606 175.368 1.238 18467 866 1 2 . 1 1 27 27 GLY CA C 526 46.361 46.361 45.690 0.672 18467 867 1 2 . 1 1 27 27 GLY H H 526 7.749 7.749 7.813 -0.064 18467 868 1 2 . 1 1 28 28 LEU N N 527 118.441 118.441 118.577 -0.136 18467 869 1 2 . 1 1 28 28 LEU HA H 527 4.452 4.452 4.519 -0.067 18467 870 1 2 . 1 1 28 28 LEU C C 527 175.786 175.786 177.401 -1.615 18467 871 1 2 . 1 1 28 28 LEU CA C 527 54.774 54.774 54.027 0.747 18467 872 1 2 . 1 1 28 28 LEU CB C 527 45.162 45.162 40.789 4.373 18467 873 1 2 . 1 1 28 28 LEU H H 527 8.100 8.100 7.893 0.207 18467 874 1 2 . 1 1 29 29 THR N N 528 117.975 117.975 116.747 1.228 18467 875 1 2 . 1 1 29 29 THR HA H 528 3.539 3.539 3.860 -0.321 18467 876 1 2 . 1 1 29 29 THR C C 528 175.468 175.468 176.439 -0.971 18467 877 1 2 . 1 1 29 29 THR CA C 528 66.819 66.819 66.885 -0.066 18467 878 1 2 . 1 1 29 29 THR CB C 528 68.696 68.696 68.263 0.433 18467 879 1 2 . 1 1 29 29 THR H H 528 7.584 7.584 8.058 -0.474 18467 880 1 2 . 1 1 30 30 GLU N N 529 117.727 117.727 120.377 -2.650 18467 881 1 2 . 1 1 30 30 GLU HA H 529 3.986 3.986 4.052 -0.066 18467 882 1 2 . 1 1 30 30 GLU C C 529 179.348 179.348 178.217 1.131 18467 883 1 2 . 1 1 30 30 GLU CA C 529 59.738 59.738 59.673 0.065 18467 884 1 2 . 1 1 30 30 GLU CB C 529 28.596 28.596 29.239 -0.643 18467 885 1 2 . 1 1 30 30 GLU H H 529 8.304 8.304 8.538 -0.234 18467 886 1 2 . 1 1 31 31 THR N N 530 116.063 116.063 115.823 0.240 18467 887 1 2 . 1 1 31 31 THR HA H 530 3.758 3.758 3.989 -0.231 18467 888 1 2 . 1 1 31 31 THR C C 530 175.858 175.858 175.952 -0.094 18467 889 1 2 . 1 1 31 31 THR CA C 530 67.207 67.207 66.866 0.341 18467 890 1 2 . 1 1 31 31 THR CB C 530 69.145 69.145 68.446 0.699 18467 891 1 2 . 1 1 31 31 THR H H 530 7.698 7.698 7.224 0.474 18467 892 1 2 . 1 1 32 32 LEU N N 531 116.755 116.755 119.377 -2.622 18467 893 1 2 . 1 1 32 32 LEU HA H 531 3.921 3.921 4.038 -0.117 18467 894 1 2 . 1 1 32 32 LEU C C 531 176.163 176.163 179.080 -2.917 18467 895 1 2 . 1 1 32 32 LEU CA C 531 55.681 55.681 55.317 0.364 18467 896 1 2 . 1 1 32 32 LEU CB C 531 41.417 41.417 40.133 1.284 18467 897 1 2 . 1 1 32 32 LEU H H 531 7.108 7.108 7.436 -0.328 18467 898 1 2 . 1 1 33 33 ASN N N 532 118.731 118.731 118.196 0.535 18467 899 1 2 . 1 1 33 33 ASN HA H 532 4.973 4.973 4.511 0.462 18467 900 1 2 . 1 1 33 33 ASN C C 532 174.820 174.820 175.547 -0.727 18467 901 1 2 . 1 1 33 33 ASN CA C 532 52.139 52.139 55.259 -3.120 18467 902 1 2 . 1 1 33 33 ASN CB C 532 40.952 40.952 39.103 1.849 18467 903 1 2 . 1 1 33 33 ASN H H 532 7.751 7.751 8.300 -0.549 18467 904 1 2 . 1 1 34 34 ARG N N 533 119.562 119.562 121.200 -1.638 18467 905 1 2 . 1 1 34 34 ARG HA H 533 4.531 4.531 4.358 0.173 18467 906 1 2 . 1 1 34 34 ARG C C 533 175.355 175.355 175.417 -0.062 18467 907 1 2 . 1 1 34 34 ARG CA C 533 55.591 55.591 56.062 -0.471 18467 908 1 2 . 1 1 34 34 ARG CB C 533 32.007 32.007 31.052 0.955 18467 909 1 2 . 1 1 34 34 ARG H H 533 7.296 7.296 7.625 -0.329 18467 910 1 2 . 1 1 35 35 GLU N N 534 120.049 120.049 125.169 -5.120 18467 911 1 2 . 1 1 35 35 GLU HA H 534 4.238 4.238 4.343 -0.105 18467 912 1 2 . 1 1 35 35 GLU C C 534 176.281 176.281 176.110 0.171 18467 913 1 2 . 1 1 35 35 GLU CA C 534 57.698 57.698 57.206 0.492 18467 914 1 2 . 1 1 35 35 GLU CB C 534 29.807 29.807 30.385 -0.578 18467 915 1 2 . 1 1 35 35 GLU H H 534 8.508 8.508 8.585 -0.077 18467 916 1 2 . 1 1 36 36 GLY N N 535 110.987 110.987 112.430 -1.443 18467 917 1 2 . 1 1 36 36 GLY C C 535 170.566 170.566 172.071 -1.505 18467 918 1 2 . 1 1 36 36 GLY CA C 535 44.853 44.853 44.997 -0.144 18467 919 1 2 . 1 1 36 36 GLY H H 535 7.949 7.949 8.438 -0.489 18467 920 1 2 . 1 1 37 37 VAL N N 536 114.744 114.744 118.375 -3.631 18467 921 1 2 . 1 1 37 37 VAL HA H 536 4.126 4.126 4.883 -0.757 18467 922 1 2 . 1 1 37 37 VAL C C 536 173.026 173.026 173.047 -0.021 18467 923 1 2 . 1 1 37 37 VAL CA C 536 59.318 59.318 59.545 -0.227 18467 924 1 2 . 1 1 37 37 VAL CB C 536 33.633 33.633 33.261 0.372 18467 925 1 2 . 1 1 37 37 VAL H H 536 7.189 7.189 7.690 -0.501 18467 926 1 2 . 1 1 38 38 TYR N N 537 117.326 117.326 121.166 -3.840 18467 927 1 2 . 1 1 38 38 TYR HA H 537 5.187 5.187 5.137 0.050 18467 928 1 2 . 1 1 38 38 TYR C C 537 176.236 176.236 175.132 1.104 18467 929 1 2 . 1 1 38 38 TYR CA C 537 56.755 56.755 56.435 0.320 18467 930 1 2 . 1 1 38 38 TYR CB C 537 42.471 42.471 42.791 -0.320 18467 931 1 2 . 1 1 38 38 TYR H H 537 7.491 7.491 8.225 -0.734 18467 932 1 2 . 1 1 39 39 THR N N 538 117.089 117.089 118.747 -1.658 18467 933 1 2 . 1 1 39 39 THR HA H 538 4.789 4.789 4.927 -0.138 18467 934 1 2 . 1 1 39 39 THR C C 538 173.433 173.433 173.552 -0.119 18467 935 1 2 . 1 1 39 39 THR CA C 538 62.170 62.170 62.179 -0.009 18467 936 1 2 . 1 1 39 39 THR CB C 538 70.774 70.774 69.643 1.131 18467 937 1 2 . 1 1 39 39 THR H H 538 7.902 7.902 8.492 -0.590 18467 938 1 2 . 1 1 40 40 VAL N N 539 126.906 126.906 128.299 -1.393 18467 939 1 2 . 1 1 40 40 VAL HA H 539 4.523 4.523 4.977 -0.454 18467 940 1 2 . 1 1 40 40 VAL C C 539 173.960 173.960 174.633 -0.673 18467 941 1 2 . 1 1 40 40 VAL CA C 539 61.184 61.184 60.846 0.338 18467 942 1 2 . 1 1 40 40 VAL CB C 539 33.968 33.968 33.072 0.896 18467 943 1 2 . 1 1 40 40 VAL H H 539 9.183 9.183 9.034 0.149 18467 944 1 2 . 1 1 41 41 PHE N N 540 128.634 128.634 128.247 0.387 18467 945 1 2 . 1 1 41 41 PHE HA H 540 5.332 5.332 4.764 0.568 18467 946 1 2 . 1 1 41 41 PHE C C 540 173.378 173.378 175.160 -1.782 18467 947 1 2 . 1 1 41 41 PHE CA C 540 57.718 57.718 57.807 -0.089 18467 948 1 2 . 1 1 41 41 PHE CB C 540 38.255 38.255 39.133 -0.878 18467 949 1 2 . 1 1 41 41 PHE H H 540 9.084 9.084 8.616 0.468 18467 950 1 2 . 1 1 42 42 ALA N N 541 125.989 125.989 129.888 -3.899 18467 951 1 2 . 1 1 42 42 ALA HA H 541 4.499 4.499 4.892 -0.393 18467 952 1 2 . 1 1 42 42 ALA CA C 541 49.035 49.035 48.980 0.055 18467 953 1 2 . 1 1 42 42 ALA CB C 541 22.804 22.804 19.578 3.226 18467 954 1 2 . 1 1 42 42 ALA H H 541 8.572 8.572 8.983 -0.411 18467 955 1 2 . 1 1 43 43 PRO HA H 542 5.030 5.030 5.517 -0.487 18467 956 1 2 . 1 1 43 43 PRO C C 542 177.796 177.796 177.246 0.550 18467 957 1 2 . 1 1 43 43 PRO CA C 542 60.823 60.823 61.959 -1.136 18467 958 1 2 . 1 1 43 43 PRO CB C 542 31.462 31.462 32.278 -0.816 18467 959 1 2 . 1 1 44 44 THR N N 543 111.786 111.786 113.411 -1.625 18467 960 1 2 . 1 1 44 44 THR HA H 543 4.423 4.423 4.905 -0.482 18467 961 1 2 . 1 1 44 44 THR C C 543 176.323 176.323 176.803 -0.480 18467 962 1 2 . 1 1 44 44 THR CA C 543 60.816 60.816 59.466 1.350 18467 963 1 2 . 1 1 44 44 THR CB C 543 71.498 71.498 70.411 1.087 18467 964 1 2 . 1 1 44 44 THR H H 543 7.739 7.739 8.221 -0.482 18467 965 1 2 . 1 1 45 45 ASN N N 544 118.432 118.432 119.637 -1.205 18467 966 1 2 . 1 1 45 45 ASN HA H 544 4.621 4.621 4.744 -0.123 18467 967 1 2 . 1 1 45 45 ASN C C 544 177.738 177.738 177.455 0.283 18467 968 1 2 . 1 1 45 45 ASN CA C 544 56.092 56.092 56.837 -0.746 18467 969 1 2 . 1 1 45 45 ASN CB C 544 37.329 37.329 38.457 -1.128 18467 970 1 2 . 1 1 45 45 ASN H H 544 8.679 8.679 8.721 -0.042 18467 971 1 2 . 1 1 46 46 GLU N N 545 117.774 117.774 119.421 -1.647 18467 972 1 2 . 1 1 46 46 GLU HA H 545 3.800 3.800 4.101 -0.301 18467 973 1 2 . 1 1 46 46 GLU C C 545 178.277 178.277 177.529 0.748 18467 974 1 2 . 1 1 46 46 GLU CA C 545 60.129 60.129 58.798 1.331 18467 975 1 2 . 1 1 46 46 GLU CB C 545 29.254 29.254 28.677 0.577 18467 976 1 2 . 1 1 46 46 GLU H H 545 8.213 8.213 8.432 -0.219 18467 977 1 2 . 1 1 47 47 ALA N N 546 121.430 121.430 121.666 -0.236 18467 978 1 2 . 1 1 47 47 ALA HA H 546 3.965 3.965 4.301 -0.336 18467 979 1 2 . 1 1 47 47 ALA C C 546 180.270 180.270 178.863 1.407 18467 980 1 2 . 1 1 47 47 ALA CA C 546 54.894 54.894 53.986 0.908 18467 981 1 2 . 1 1 47 47 ALA CB C 546 19.469 19.469 18.387 1.082 18467 982 1 2 . 1 1 47 47 ALA H H 546 7.344 7.344 7.506 -0.162 18467 983 1 2 . 1 1 48 48 PHE N N 547 115.617 115.617 116.364 -0.747 18467 984 1 2 . 1 1 48 48 PHE HA H 547 3.923 3.923 4.253 -0.330 18467 985 1 2 . 1 1 48 48 PHE C C 547 178.849 178.849 176.662 2.187 18467 986 1 2 . 1 1 48 48 PHE CA C 547 61.460 61.460 59.904 1.556 18467 987 1 2 . 1 1 48 48 PHE CB C 547 38.400 38.400 38.113 0.287 18467 988 1 2 . 1 1 48 48 PHE H H 547 7.128 7.128 7.204 -0.076 18467 989 1 2 . 1 1 49 49 ARG N N 548 118.721 118.721 118.684 0.037 18467 990 1 2 . 1 1 49 49 ARG C C 548 175.961 175.961 176.442 -0.481 18467 991 1 2 . 1 1 49 49 ARG CA C 548 58.359 58.359 56.569 1.790 18467 992 1 2 . 1 1 49 49 ARG CB C 548 30.082 30.082 30.530 -0.448 18467 993 1 2 . 1 1 49 49 ARG H H 548 8.233 8.233 7.528 0.705 18467 994 1 2 . 1 1 50 50 ALA N N 549 118.911 118.911 121.706 -2.795 18467 995 1 2 . 1 1 50 50 ALA HA H 549 4.309 4.309 4.317 -0.008 18467 996 1 2 . 1 1 50 50 ALA C C 549 178.758 178.758 177.515 1.243 18467 997 1 2 . 1 1 50 50 ALA CA C 549 52.405 52.405 52.523 -0.118 18467 998 1 2 . 1 1 50 50 ALA CB C 549 18.856 18.856 19.582 -0.726 18467 999 1 2 . 1 1 50 50 ALA H H 549 7.166 7.166 7.609 -0.443 18467 1000 1 2 . 1 1 51 51 LEU N N 550 119.543 119.543 121.023 -1.480 18467 1001 1 2 . 1 1 51 51 LEU HA H 550 4.541 4.541 4.721 -0.180 18467 1002 1 2 . 1 1 51 51 LEU CA C 550 53.504 53.504 51.572 1.932 18467 1003 1 2 . 1 1 51 51 LEU CB C 550 41.195 41.195 42.682 -1.487 18467 1004 1 2 . 1 1 51 51 LEU H H 550 7.130 7.130 7.280 -0.150 18467 1005 1 2 . 1 1 52 52 PRO HA H 551 4.780 4.780 4.683 0.097 18467 1006 1 2 . 1 1 52 52 PRO CA C 551 61.356 61.356 61.598 -0.242 18467 1007 1 2 . 1 1 52 52 PRO CB C 551 31.589 31.589 31.497 0.092 18467 1008 1 2 . 1 1 53 53 PRO HA H 552 4.415 4.415 4.269 0.146 18467 1009 1 2 . 1 1 53 53 PRO CA C 552 65.934 65.934 65.714 0.220 18467 1010 1 2 . 1 1 53 53 PRO CB C 552 32.117 32.117 32.053 0.064 18467 1011 1 2 . 1 1 54 54 ARG C C 553 178.861 178.861 179.189 -0.328 18467 1012 1 2 . 1 1 54 54 ARG CA C 553 59.040 59.040 60.133 -1.093 18467 1013 1 2 . 1 1 54 54 ARG CB C 553 29.650 29.650 29.683 -0.033 18467 1014 1 2 . 1 1 55 55 GLU N N 554 120.619 120.619 119.918 0.701 18467 1015 1 2 . 1 1 55 55 GLU HA H 554 4.569 4.569 4.162 0.407 18467 1016 1 2 . 1 1 55 55 GLU CA C 554 57.913 57.913 59.657 -1.744 18467 1017 1 2 . 1 1 55 55 GLU CB C 554 29.799 29.799 28.605 1.194 18467 1018 1 2 . 1 1 55 55 GLU H H 554 7.713 7.713 8.627 -0.914 18467 1019 1 2 . 1 1 56 56 TRP N N 555 120.789 120.789 121.088 -0.299 18467 1020 1 2 . 1 1 56 56 TRP HA H 555 4.790 4.790 4.480 0.310 18467 1021 1 2 . 1 1 56 56 TRP C C 555 176.837 176.837 178.346 -1.509 18467 1022 1 2 . 1 1 56 56 TRP CA C 555 59.458 59.458 61.453 -1.995 18467 1023 1 2 . 1 1 56 56 TRP CB C 555 30.606 30.606 29.736 0.870 18467 1024 1 2 . 1 1 56 56 TRP H H 555 8.151 8.151 8.000 0.151 18467 1025 1 2 . 1 1 57 57 SER N N 556 110.579 110.579 114.251 -3.672 18467 1026 1 2 . 1 1 57 57 SER HA H 556 4.169 4.169 4.128 0.041 18467 1027 1 2 . 1 1 57 57 SER C C 556 177.169 177.169 176.450 0.719 18467 1028 1 2 . 1 1 57 57 SER CA C 556 61.964 61.964 61.707 0.257 18467 1029 1 2 . 1 1 57 57 SER H H 556 8.263 8.263 8.846 -0.583 18467 1030 1 2 . 1 1 58 58 ARG N N 557 122.546 122.546 121.500 1.046 18467 1031 1 2 . 1 1 58 58 ARG CA C 557 59.314 59.314 58.324 0.990 18467 1032 1 2 . 1 1 58 58 ARG CB C 557 30.188 30.188 29.876 0.312 18467 1033 1 2 . 1 1 58 58 ARG H H 557 7.594 7.594 7.169 0.425 18467 1034 1 2 . 1 1 59 59 LEU N N 558 120.695 120.695 120.208 0.487 18467 1035 1 2 . 1 1 59 59 LEU HA H 558 3.902 3.902 3.960 -0.058 18467 1036 1 2 . 1 1 59 59 LEU C C 558 178.293 178.293 179.137 -0.844 18467 1037 1 2 . 1 1 59 59 LEU CA C 558 57.989 57.989 57.775 0.214 18467 1038 1 2 . 1 1 59 59 LEU CB C 558 41.974 41.974 41.270 0.704 18467 1039 1 2 . 1 1 59 59 LEU H H 558 8.143 8.143 7.585 0.558 18467 1040 1 2 . 1 1 60 60 LEU N N 559 115.713 115.713 115.116 0.597 18467 1041 1 2 . 1 1 60 60 LEU HA H 559 3.643 3.643 3.916 -0.273 18467 1042 1 2 . 1 1 60 60 LEU C C 559 178.818 178.818 178.512 0.306 18467 1043 1 2 . 1 1 60 60 LEU CA C 559 56.773 56.773 56.263 0.510 18467 1044 1 2 . 1 1 60 60 LEU CB C 559 41.434 41.434 40.428 1.006 18467 1045 1 2 . 1 1 60 60 LEU H H 559 7.725 7.725 7.642 0.083 18467 1046 1 2 . 1 1 61 61 GLY N N 560 103.312 103.312 105.515 -2.203 18467 1047 1 2 . 1 1 61 61 GLY C C 560 173.364 173.364 173.894 -0.530 18467 1048 1 2 . 1 1 61 61 GLY CA C 560 45.029 45.029 45.244 -0.215 18467 1049 1 2 . 1 1 61 61 GLY H H 560 7.311 7.311 7.306 0.005 18467 1050 1 2 . 1 1 62 62 ASP N N 561 122.455 122.455 117.971 4.484 18467 1051 1 2 . 1 1 62 62 ASP HA H 561 4.847 4.847 4.765 0.082 18467 1052 1 2 . 1 1 62 62 ASP C C 561 173.909 173.909 175.197 -1.288 18467 1053 1 2 . 1 1 62 62 ASP CA C 561 52.302 52.302 53.267 -0.965 18467 1054 1 2 . 1 1 62 62 ASP CB C 561 41.362 41.362 43.434 -2.072 18467 1055 1 2 . 1 1 62 62 ASP H H 561 7.532 7.532 7.667 -0.135 18467 1056 1 2 . 1 1 63 63 ALA N N 562 125.643 125.643 126.098 -0.455 18467 1057 1 2 . 1 1 63 63 ALA HA H 562 4.019 4.019 4.312 -0.293 18467 1058 1 2 . 1 1 63 63 ALA C C 562 180.109 180.109 179.221 0.888 18467 1059 1 2 . 1 1 63 63 ALA CA C 562 55.660 55.660 55.014 0.646 18467 1060 1 2 . 1 1 63 63 ALA CB C 562 18.980 18.980 19.291 -0.311 18467 1061 1 2 . 1 1 63 63 ALA H H 562 8.372 8.372 8.604 -0.232 18467 1062 1 2 . 1 1 64 64 LYS N N 563 117.354 117.354 116.441 0.913 18467 1063 1 2 . 1 1 64 64 LYS HA H 563 4.116 4.116 4.069 0.047 18467 1064 1 2 . 1 1 64 64 LYS C C 563 179.293 179.293 178.527 0.766 18467 1065 1 2 . 1 1 64 64 LYS CA C 563 59.459 59.459 58.538 0.921 18467 1066 1 2 . 1 1 64 64 LYS CB C 563 32.165 32.165 31.451 0.714 18467 1067 1 2 . 1 1 64 64 LYS H H 563 8.111 8.111 8.052 0.059 18467 1068 1 2 . 1 1 65 65 GLU N N 564 120.953 120.953 119.808 1.145 18467 1069 1 2 . 1 1 65 65 GLU HA H 564 4.207 4.207 4.126 0.081 18467 1070 1 2 . 1 1 65 65 GLU C C 564 179.679 179.679 178.419 1.260 18467 1071 1 2 . 1 1 65 65 GLU CA C 564 58.683 58.683 58.614 0.069 18467 1072 1 2 . 1 1 65 65 GLU CB C 564 29.403 29.403 29.383 0.020 18467 1073 1 2 . 1 1 65 65 GLU H H 564 7.725 7.725 7.716 0.009 18467 1074 1 2 . 1 1 66 66 LEU N N 565 120.534 120.534 121.285 -0.751 18467 1075 1 2 . 1 1 66 66 LEU HA H 565 4.117 4.117 3.851 0.266 18467 1076 1 2 . 1 1 66 66 LEU C C 565 178.692 178.692 178.494 0.198 18467 1077 1 2 . 1 1 66 66 LEU CA C 565 57.883 57.883 57.638 0.245 18467 1078 1 2 . 1 1 66 66 LEU CB C 565 40.916 40.916 41.942 -1.026 18467 1079 1 2 . 1 1 66 66 LEU H H 565 8.668 8.668 8.339 0.329 18467 1080 1 2 . 1 1 67 67 ALA N N 566 119.170 119.170 119.986 -0.816 18467 1081 1 2 . 1 1 67 67 ALA HA H 566 3.904 3.904 3.888 0.016 18467 1082 1 2 . 1 1 67 67 ALA C C 566 179.042 179.042 179.087 -0.045 18467 1083 1 2 . 1 1 67 67 ALA CA C 566 55.916 55.916 55.145 0.771 18467 1084 1 2 . 1 1 67 67 ALA CB C 566 17.972 17.972 17.904 0.068 18467 1085 1 2 . 1 1 67 67 ALA H H 566 8.474 8.474 8.593 -0.119 18467 1086 1 2 . 1 1 68 68 ASN N N 567 115.725 115.725 116.256 -0.531 18467 1087 1 2 . 1 1 68 68 ASN HA H 567 4.479 4.479 4.436 0.043 18467 1088 1 2 . 1 1 68 68 ASN CA C 567 57.014 57.014 56.320 0.694 18467 1089 1 2 . 1 1 68 68 ASN CB C 567 38.597 38.597 38.332 0.265 18467 1090 1 2 . 1 1 68 68 ASN H H 567 7.555 7.555 7.571 -0.016 18467 1091 1 2 . 1 1 69 69 ILE N N 568 118.231 118.231 117.071 1.160 18467 1092 1 2 . 1 1 69 69 ILE HA H 568 4.125 4.125 4.053 0.072 18467 1093 1 2 . 1 1 69 69 ILE C C 568 179.766 179.766 178.065 1.701 18467 1094 1 2 . 1 1 69 69 ILE CA C 568 64.168 64.168 63.381 0.787 18467 1095 1 2 . 1 1 69 69 ILE CB C 568 38.547 38.547 38.781 -0.234 18467 1096 1 2 . 1 1 69 69 ILE H H 568 7.832 7.832 7.502 0.330 18467 1097 1 2 . 1 1 70 70 LEU N N 569 120.962 120.962 122.374 -1.412 18467 1098 1 2 . 1 1 70 70 LEU HA H 569 4.114 4.114 4.003 0.111 18467 1099 1 2 . 1 1 70 70 LEU C C 569 179.633 179.633 179.038 0.595 18467 1100 1 2 . 1 1 70 70 LEU CA C 569 58.463 58.463 58.069 0.394 18467 1101 1 2 . 1 1 70 70 LEU CB C 569 42.056 42.056 40.993 1.063 18467 1102 1 2 . 1 1 70 70 LEU H H 569 8.705 8.705 8.196 0.509 18467 1103 1 2 . 1 1 71 71 LYS N N 570 116.318 116.318 117.858 -1.540 18467 1104 1 2 . 1 1 71 71 LYS HA H 570 3.933 3.933 4.135 -0.202 18467 1105 1 2 . 1 1 71 71 LYS C C 570 177.691 177.691 179.025 -1.334 18467 1106 1 2 . 1 1 71 71 LYS CA C 570 60.750 60.750 58.901 1.849 18467 1107 1 2 . 1 1 71 71 LYS CB C 570 32.439 32.439 32.352 0.086 18467 1108 1 2 . 1 1 71 71 LYS H H 570 8.889 8.889 8.243 0.646 18467 1109 1 2 . 1 1 72 72 TYR N N 571 119.628 119.628 118.979 0.649 18467 1110 1 2 . 1 1 72 72 TYR HA H 571 4.596 4.596 4.492 0.104 18467 1111 1 2 . 1 1 72 72 TYR C C 571 171.958 171.958 175.829 -3.871 18467 1112 1 2 . 1 1 72 72 TYR CA C 571 59.022 59.022 59.427 -0.405 18467 1113 1 2 . 1 1 72 72 TYR CB C 571 38.970 38.970 38.716 0.254 18467 1114 1 2 . 1 1 72 72 TYR H H 571 7.557 7.557 8.181 -0.624 18467 1115 1 2 . 1 1 73 73 HIS N N 572 108.692 108.692 116.067 -7.375 18467 1116 1 2 . 1 1 73 73 HIS HA H 572 4.206 4.206 4.381 -0.175 18467 1117 1 2 . 1 1 73 73 HIS C C 572 173.668 173.668 174.519 -0.851 18467 1118 1 2 . 1 1 73 73 HIS CA C 572 58.880 58.880 58.431 0.449 18467 1119 1 2 . 1 1 73 73 HIS CB C 572 28.164 28.164 30.071 -1.907 18467 1120 1 2 . 1 1 73 73 HIS H H 572 7.583 7.583 7.823 -0.240 18467 1121 1 2 . 1 1 74 74 ILE N N 573 117.585 117.585 118.825 -1.240 18467 1122 1 2 . 1 1 74 74 ILE HA H 573 5.236 5.236 4.460 0.776 18467 1123 1 2 . 1 1 74 74 ILE C C 573 175.634 175.634 175.264 0.370 18467 1124 1 2 . 1 1 74 74 ILE CA C 573 59.501 59.501 60.471 -0.970 18467 1125 1 2 . 1 1 74 74 ILE CB C 573 40.955 40.955 39.758 1.197 18467 1126 1 2 . 1 1 74 74 ILE H H 573 7.283 7.283 7.048 0.235 18467 1127 1 2 . 1 1 75 75 GLY N N 574 111.783 111.783 113.256 -1.473 18467 1128 1 2 . 1 1 75 75 GLY C C 574 173.914 173.914 175.319 -1.405 18467 1129 1 2 . 1 1 75 75 GLY CA C 574 43.960 43.960 43.717 0.243 18467 1130 1 2 . 1 1 75 75 GLY H H 574 10.218 10.218 9.072 1.146 18467 1131 1 2 . 1 1 76 76 ASP N N 575 120.537 120.537 119.249 1.288 18467 1132 1 2 . 1 1 76 76 ASP HA H 575 4.759 4.759 4.522 0.237 18467 1133 1 2 . 1 1 76 76 ASP C C 575 174.756 174.756 175.486 -0.730 18467 1134 1 2 . 1 1 76 76 ASP CA C 575 53.707 53.707 55.049 -1.342 18467 1135 1 2 . 1 1 76 76 ASP CB C 575 41.029 41.029 41.468 -0.439 18467 1136 1 2 . 1 1 76 76 ASP H H 575 8.361 8.361 8.343 0.018 18467 1137 1 2 . 1 1 77 77 GLU N N 576 114.270 114.270 115.797 -1.527 18467 1138 1 2 . 1 1 77 77 GLU HA H 576 4.472 4.472 4.493 -0.021 18467 1139 1 2 . 1 1 77 77 GLU CA C 576 54.500 54.500 53.938 0.562 18467 1140 1 2 . 1 1 77 77 GLU CB C 576 33.422 33.422 31.916 1.506 18467 1141 1 2 . 1 1 77 77 GLU H H 576 7.266 7.266 7.687 -0.421 18467 1142 1 2 . 1 1 78 78 ILE N N 577 120.961 120.961 121.104 -0.143 18467 1143 1 2 . 1 1 78 78 ILE HA H 577 3.570 3.570 4.738 -1.168 18467 1144 1 2 . 1 1 78 78 ILE C C 577 174.815 174.815 175.517 -0.702 18467 1145 1 2 . 1 1 78 78 ILE CA C 577 62.347 62.347 61.100 1.247 18467 1146 1 2 . 1 1 78 78 ILE CB C 577 38.390 38.390 38.262 0.128 18467 1147 1 2 . 1 1 78 78 ILE H H 577 8.514 8.514 8.569 -0.055 18467 1148 1 2 . 1 1 79 79 LEU N N 578 132.660 132.660 131.906 0.754 18467 1149 1 2 . 1 1 79 79 LEU HA H 578 4.779 4.779 4.711 0.068 18467 1150 1 2 . 1 1 79 79 LEU C C 578 174.161 174.161 175.328 -1.167 18467 1151 1 2 . 1 1 79 79 LEU CA C 578 53.881 53.881 53.555 0.326 18467 1152 1 2 . 1 1 79 79 LEU CB C 578 44.088 44.088 42.990 1.098 18467 1153 1 2 . 1 1 79 79 LEU H H 578 7.973 7.973 8.911 -0.938 18467 1154 1 2 . 1 1 80 80 VAL N N 579 118.506 118.506 120.228 -1.722 18467 1155 1 2 . 1 1 80 80 VAL HA H 579 4.767 4.767 4.395 0.372 18467 1156 1 2 . 1 1 80 80 VAL C C 579 178.415 178.415 176.923 1.492 18467 1157 1 2 . 1 1 80 80 VAL CA C 579 59.505 59.505 60.510 -1.005 18467 1158 1 2 . 1 1 80 80 VAL CB C 579 33.491 33.491 32.648 0.843 18467 1159 1 2 . 1 1 80 80 VAL H H 579 7.968 7.968 7.997 -0.029 18467 1160 1 2 . 1 1 81 81 SER N N 580 121.910 121.910 117.833 4.077 18467 1161 1 2 . 1 1 81 81 SER HA H 580 3.828 3.828 4.195 -0.367 18467 1162 1 2 . 1 1 81 81 SER C C 580 177.014 177.014 175.682 1.332 18467 1163 1 2 . 1 1 81 81 SER CA C 580 62.856 62.856 62.152 0.704 18467 1164 1 2 . 1 1 81 81 SER CB C 580 62.118 62.118 63.029 -0.911 18467 1165 1 2 . 1 1 81 81 SER H H 580 11.091 11.091 9.311 1.780 18467 1166 1 2 . 1 1 82 82 GLY N N 581 107.507 107.507 105.462 2.045 18467 1167 1 2 . 1 1 82 82 GLY C C 581 174.753 174.753 175.212 -0.459 18467 1168 1 2 . 1 1 82 82 GLY CA C 581 45.933 45.933 45.689 0.244 18467 1169 1 2 . 1 1 82 82 GLY H H 581 8.283 8.283 8.366 -0.083 18467 1170 1 2 . 1 1 83 83 GLY N N 582 107.844 107.844 108.376 -0.532 18467 1171 1 2 . 1 1 83 83 GLY C C 582 174.383 174.383 174.836 -0.453 18467 1172 1 2 . 1 1 83 83 GLY CA C 582 44.437 44.437 44.280 0.157 18467 1173 1 2 . 1 1 83 83 GLY H H 582 8.244 8.244 7.815 0.429 18467 1174 1 2 . 1 1 84 84 ILE N N 583 120.981 120.981 124.632 -3.651 18467 1175 1 2 . 1 1 84 84 ILE HA H 583 3.820 3.820 3.756 0.064 18467 1176 1 2 . 1 1 84 84 ILE C C 583 175.634 175.634 175.518 0.116 18467 1177 1 2 . 1 1 84 84 ILE CA C 583 62.879 62.879 62.898 -0.019 18467 1178 1 2 . 1 1 84 84 ILE CB C 583 39.028 39.028 36.781 2.247 18467 1179 1 2 . 1 1 84 84 ILE H H 583 7.307 7.307 7.635 -0.328 18467 1180 1 2 . 1 1 85 85 GLY N N 584 112.078 112.078 114.184 -2.106 18467 1181 1 2 . 1 1 85 85 GLY C C 584 173.113 173.113 174.044 -0.931 18467 1182 1 2 . 1 1 85 85 GLY CA C 584 45.639 45.639 44.547 1.093 18467 1183 1 2 . 1 1 85 85 GLY H H 584 7.953 7.953 7.660 0.293 18467 1184 1 2 . 1 1 86 86 ALA N N 585 125.109 125.109 122.520 2.589 18467 1185 1 2 . 1 1 86 86 ALA HA H 585 4.312 4.312 4.228 0.084 18467 1186 1 2 . 1 1 86 86 ALA C C 585 177.336 177.336 176.800 0.536 18467 1187 1 2 . 1 1 86 86 ALA CA C 585 54.080 54.080 54.700 -0.620 18467 1188 1 2 . 1 1 86 86 ALA CB C 585 19.745 19.745 19.387 0.358 18467 1189 1 2 . 1 1 86 86 ALA H H 585 8.295 8.295 8.339 -0.044 18467 1190 1 2 . 1 1 87 87 LEU N N 586 118.488 118.488 116.688 1.800 18467 1191 1 2 . 1 1 87 87 LEU HA H 586 4.716 4.716 5.405 -0.689 18467 1192 1 2 . 1 1 87 87 LEU C C 586 175.578 175.578 174.906 0.672 18467 1193 1 2 . 1 1 87 87 LEU CA C 586 56.100 56.100 54.572 1.528 18467 1194 1 2 . 1 1 87 87 LEU CB C 586 43.651 43.651 44.766 -1.115 18467 1195 1 2 . 1 1 87 87 LEU H H 586 7.801 7.801 7.675 0.126 18467 1196 1 2 . 1 1 88 88 VAL N N 587 127.976 127.976 126.347 1.629 18467 1197 1 2 . 1 1 88 88 VAL HA H 587 4.308 4.308 4.528 -0.220 18467 1198 1 2 . 1 1 88 88 VAL C C 587 174.142 174.142 174.086 0.056 18467 1199 1 2 . 1 1 88 88 VAL CA C 587 61.428 61.428 60.744 0.684 18467 1200 1 2 . 1 1 88 88 VAL CB C 587 35.784 35.784 35.284 0.500 18467 1201 1 2 . 1 1 88 88 VAL H H 587 9.510 9.510 9.121 0.389 18467 1202 1 2 . 1 1 89 89 ARG N N 588 125.359 125.359 127.507 -2.148 18467 1203 1 2 . 1 1 89 89 ARG HA H 588 5.257 5.257 5.254 0.003 18467 1204 1 2 . 1 1 89 89 ARG C C 588 175.003 175.003 174.833 0.170 18467 1205 1 2 . 1 1 89 89 ARG CA C 588 54.807 54.807 54.003 0.804 18467 1206 1 2 . 1 1 89 89 ARG H H 588 8.622 8.622 8.509 0.113 18467 1207 1 2 . 1 1 90 90 LEU N N 589 127.862 127.862 126.739 1.123 18467 1208 1 2 . 1 1 90 90 LEU HA H 589 4.572 4.572 4.654 -0.082 18467 1209 1 2 . 1 1 90 90 LEU C C 589 174.955 174.955 175.524 -0.569 18467 1210 1 2 . 1 1 90 90 LEU CA C 589 53.115 53.115 53.791 -0.676 18467 1211 1 2 . 1 1 90 90 LEU CB C 589 46.021 46.021 45.537 0.484 18467 1212 1 2 . 1 1 90 90 LEU H H 589 8.830 8.830 8.777 0.053 18467 1213 1 2 . 1 1 91 91 LYS N N 590 129.215 129.215 124.939 4.276 18467 1214 1 2 . 1 1 91 91 LYS HA H 590 4.062 4.062 4.777 -0.715 18467 1215 1 2 . 1 1 91 91 LYS C C 590 174.635 174.635 176.880 -2.245 18467 1216 1 2 . 1 1 91 91 LYS CA C 590 58.307 58.307 55.779 2.528 18467 1217 1 2 . 1 1 91 91 LYS CB C 590 32.514 32.514 33.446 -0.932 18467 1218 1 2 . 1 1 91 91 LYS H H 590 9.429 9.429 8.814 0.615 18467 1219 1 2 . 1 1 92 92 SER N N 591 121.512 121.512 117.018 4.494 18467 1220 1 2 . 1 1 92 92 SER HA H 591 5.581 5.581 5.190 0.391 18467 1221 1 2 . 1 1 92 92 SER C C 591 178.007 178.007 175.566 2.441 18467 1222 1 2 . 1 1 92 92 SER CA C 591 58.234 58.234 56.545 1.689 18467 1223 1 2 . 1 1 92 92 SER CB C 591 67.287 67.287 65.612 1.675 18467 1224 1 2 . 1 1 92 92 SER H H 591 7.995 7.995 8.593 -0.598 18467 1225 1 2 . 1 1 93 93 LEU N N 592 121.124 121.124 120.282 0.842 18467 1226 1 2 . 1 1 93 93 LEU HA H 592 4.300 4.300 4.285 0.015 18467 1227 1 2 . 1 1 93 93 LEU C C 592 178.518 178.518 178.583 -0.065 18467 1228 1 2 . 1 1 93 93 LEU CA C 592 57.245 57.245 57.210 0.035 18467 1229 1 2 . 1 1 93 93 LEU CB C 592 41.313 41.313 41.873 -0.560 18467 1230 1 2 . 1 1 93 93 LEU H H 592 9.336 9.336 8.483 0.853 18467 1231 1 2 . 1 1 94 94 GLN N N 593 118.739 118.739 117.682 1.057 18467 1232 1 2 . 1 1 94 94 GLN HA H 593 4.249 4.249 4.201 0.048 18467 1233 1 2 . 1 1 94 94 GLN C C 593 176.082 176.082 177.110 -1.028 18467 1234 1 2 . 1 1 94 94 GLN CA C 593 56.540 56.540 57.367 -0.827 18467 1235 1 2 . 1 1 94 94 GLN CB C 593 27.654 27.654 29.929 -2.275 18467 1236 1 2 . 1 1 94 94 GLN H H 593 7.491 7.491 7.793 -0.302 18467 1237 1 2 . 1 1 95 95 GLY N N 594 109.382 109.382 106.204 3.178 18467 1238 1 2 . 1 1 95 95 GLY C C 594 174.393 174.393 173.600 0.793 18467 1239 1 2 . 1 1 95 95 GLY CA C 594 45.457 45.457 44.750 0.707 18467 1240 1 2 . 1 1 95 95 GLY H H 594 7.631 7.631 7.946 -0.315 18467 1241 1 2 . 1 1 96 96 ASP N N 595 121.087 121.087 122.118 -1.031 18467 1242 1 2 . 1 1 96 96 ASP HA H 595 4.863 4.863 4.773 0.090 18467 1243 1 2 . 1 1 96 96 ASP C C 595 177.273 177.273 174.544 2.729 18467 1244 1 2 . 1 1 96 96 ASP CA C 595 54.520 54.520 53.555 0.965 18467 1245 1 2 . 1 1 96 96 ASP CB C 595 41.277 41.277 43.104 -1.827 18467 1246 1 2 . 1 1 96 96 ASP H H 595 8.650 8.650 8.231 0.419 18467 1247 1 2 . 1 1 97 97 LYS N N 596 119.713 119.713 117.934 1.779 18467 1248 1 2 . 1 1 97 97 LYS HA H 596 5.025 5.025 5.057 -0.032 18467 1249 1 2 . 1 1 97 97 LYS C C 596 176.566 176.566 176.243 0.323 18467 1250 1 2 . 1 1 97 97 LYS CA C 596 56.274 56.274 54.934 1.340 18467 1251 1 2 . 1 1 97 97 LYS CB C 596 33.771 33.771 34.425 -0.654 18467 1252 1 2 . 1 1 97 97 LYS H H 596 9.028 9.028 8.334 0.694 18467 1253 1 2 . 1 1 98 98 LEU N N 597 125.754 125.754 125.557 0.197 18467 1254 1 2 . 1 1 98 98 LEU HA H 597 4.398 4.398 4.808 -0.410 18467 1255 1 2 . 1 1 98 98 LEU C C 597 176.144 176.144 176.900 -0.756 18467 1256 1 2 . 1 1 98 98 LEU CA C 597 53.899 53.899 54.154 -0.255 18467 1257 1 2 . 1 1 98 98 LEU CB C 597 45.148 45.148 42.246 2.902 18467 1258 1 2 . 1 1 98 98 LEU H H 597 9.336 9.336 9.280 0.056 18467 1259 1 2 . 1 1 99 99 GLU N N 598 121.101 121.101 125.792 -4.691 18467 1260 1 2 . 1 1 99 99 GLU HA H 598 4.662 4.662 4.420 0.242 18467 1261 1 2 . 1 1 99 99 GLU C C 598 175.132 175.132 175.580 -0.448 18467 1262 1 2 . 1 1 99 99 GLU CA C 598 55.714 55.714 55.849 -0.134 18467 1263 1 2 . 1 1 99 99 GLU CB C 598 30.542 30.542 29.453 1.089 18467 1264 1 2 . 1 1 99 99 GLU H H 598 8.368 8.368 9.542 -1.174 18467 1265 1 2 . 1 1 100 100 VAL N N 599 130.595 130.595 126.949 3.646 18467 1266 1 2 . 1 1 100 100 VAL HA H 599 5.046 5.046 5.048 -0.002 18467 1267 1 2 . 1 1 100 100 VAL C C 599 173.759 173.759 175.136 -1.377 18467 1268 1 2 . 1 1 100 100 VAL CA C 599 61.081 61.081 60.858 0.223 18467 1269 1 2 . 1 1 100 100 VAL CB C 599 32.873 32.873 32.520 0.353 18467 1270 1 2 . 1 1 100 100 VAL H H 599 9.337 9.337 8.562 0.775 18467 1271 1 2 . 1 1 101 101 SER N N 600 119.887 119.887 121.326 -1.439 18467 1272 1 2 . 1 1 101 101 SER HA H 600 4.943 4.943 5.048 -0.105 18467 1273 1 2 . 1 1 101 101 SER C C 600 171.934 171.934 171.983 -0.049 18467 1274 1 2 . 1 1 101 101 SER CA C 600 56.540 56.540 57.292 -0.752 18467 1275 1 2 . 1 1 101 101 SER CB C 600 67.405 67.405 65.820 1.585 18467 1276 1 2 . 1 1 101 101 SER H H 600 9.033 9.033 9.106 -0.073 18467 1277 1 2 . 1 1 102 102 LEU N N 601 123.007 123.007 128.607 -5.600 18467 1278 1 2 . 1 1 102 102 LEU HA H 601 5.047 5.047 5.160 -0.113 18467 1279 1 2 . 1 1 102 102 LEU C C 601 175.767 175.767 174.594 1.173 18467 1280 1 2 . 1 1 102 102 LEU CA C 601 54.324 54.324 54.120 0.204 18467 1281 1 2 . 1 1 102 102 LEU CB C 601 45.374 45.374 44.706 0.668 18467 1282 1 2 . 1 1 102 102 LEU H H 601 7.930 7.930 8.948 -1.018 18467 1283 1 2 . 1 1 103 103 LYS N N 602 126.480 126.480 127.521 -1.041 18467 1284 1 2 . 1 1 103 103 LYS HA H 602 4.457 4.457 4.598 -0.141 18467 1285 1 2 . 1 1 103 103 LYS CA C 602 55.707 55.707 55.697 0.010 18467 1286 1 2 . 1 1 103 103 LYS CB C 602 35.032 35.032 34.147 0.885 18467 1287 1 2 . 1 1 103 103 LYS H H 602 8.335 8.335 8.940 -0.605 18467 1288 1 2 . 1 1 104 104 ASN HA H 603 4.296 4.296 4.395 -0.099 18467 1289 1 2 . 1 1 104 104 ASN C C 603 174.156 174.156 174.594 -0.438 18467 1290 1 2 . 1 1 104 104 ASN CA C 603 54.724 54.724 53.951 0.773 18467 1291 1 2 . 1 1 104 104 ASN CB C 603 37.168 37.168 37.784 -0.616 18467 1292 1 2 . 1 1 105 105 ASN N N 604 108.763 108.763 112.205 -3.442 18467 1293 1 2 . 1 1 105 105 ASN HA H 604 4.167 4.167 4.323 -0.156 18467 1294 1 2 . 1 1 105 105 ASN C C 604 173.754 173.754 173.912 -0.158 18467 1295 1 2 . 1 1 105 105 ASN CA C 604 55.146 55.146 54.527 0.619 18467 1296 1 2 . 1 1 105 105 ASN CB C 604 38.249 38.249 38.228 0.021 18467 1297 1 2 . 1 1 105 105 ASN H H 604 8.682 8.682 8.500 0.182 18467 1298 1 2 . 1 1 106 106 VAL N N 605 121.612 121.612 121.439 0.173 18467 1299 1 2 . 1 1 106 106 VAL HA H 605 4.285 4.285 4.064 0.221 18467 1300 1 2 . 1 1 106 106 VAL C C 605 176.332 176.332 175.602 0.730 18467 1301 1 2 . 1 1 106 106 VAL CA C 605 62.112 62.112 62.596 -0.484 18467 1302 1 2 . 1 1 106 106 VAL CB C 605 34.425 34.425 32.160 2.264 18467 1303 1 2 . 1 1 106 106 VAL H H 605 7.906 7.906 7.484 0.422 18467 1304 1 2 . 1 1 107 107 VAL N N 606 133.233 133.233 129.612 3.621 18467 1305 1 2 . 1 1 107 107 VAL HA H 606 4.615 4.615 4.651 -0.036 18467 1306 1 2 . 1 1 107 107 VAL C C 606 174.697 174.697 175.849 -1.152 18467 1307 1 2 . 1 1 107 107 VAL CA C 606 61.712 61.712 62.270 -0.558 18467 1308 1 2 . 1 1 107 107 VAL CB C 606 32.254 32.254 32.878 -0.624 18467 1309 1 2 . 1 1 107 107 VAL H H 606 9.422 9.422 8.596 0.826 18467 1310 1 2 . 1 1 108 108 SER N N 607 120.829 120.829 122.822 -1.993 18467 1311 1 2 . 1 1 108 108 SER HA H 607 5.360 5.360 5.233 0.127 18467 1312 1 2 . 1 1 108 108 SER C C 607 171.938 171.938 172.513 -0.575 18467 1313 1 2 . 1 1 108 108 SER CA C 607 57.031 57.031 57.307 -0.276 18467 1314 1 2 . 1 1 108 108 SER CB C 607 66.490 66.490 66.255 0.235 18467 1315 1 2 . 1 1 108 108 SER H H 607 9.113 9.113 9.234 -0.121 18467 1316 1 2 . 1 1 109 109 VAL N N 608 121.130 121.130 121.834 -0.704 18467 1317 1 2 . 1 1 109 109 VAL HA H 608 4.797 4.797 4.578 0.219 18467 1318 1 2 . 1 1 109 109 VAL C C 608 173.930 173.930 174.288 -0.358 18467 1319 1 2 . 1 1 109 109 VAL CA C 608 57.351 57.351 60.106 -2.755 18467 1320 1 2 . 1 1 109 109 VAL CB C 608 33.964 33.964 33.551 0.413 18467 1321 1 2 . 1 1 109 109 VAL H H 608 9.120 9.120 8.901 0.219 18467 1322 1 2 . 1 1 110 110 ASN N N 609 128.284 128.284 126.248 2.036 18467 1323 1 2 . 1 1 110 110 ASN HA H 609 4.271 4.271 4.331 -0.060 18467 1324 1 2 . 1 1 110 110 ASN C C 609 175.369 175.369 174.899 0.470 18467 1325 1 2 . 1 1 110 110 ASN CA C 609 54.004 54.004 54.477 -0.473 18467 1326 1 2 . 1 1 110 110 ASN CB C 609 35.927 35.927 36.638 -0.711 18467 1327 1 2 . 1 1 110 110 ASN H H 609 9.777 9.777 9.175 0.602 18467 1328 1 2 . 1 1 111 111 LYS N N 610 107.711 107.711 113.496 -5.785 18467 1329 1 2 . 1 1 111 111 LYS HA H 610 3.660 3.660 3.977 -0.317 18467 1330 1 2 . 1 1 111 111 LYS C C 610 175.573 175.573 175.550 0.023 18467 1331 1 2 . 1 1 111 111 LYS CA C 610 58.404 58.404 57.981 0.423 18467 1332 1 2 . 1 1 111 111 LYS CB C 610 30.549 30.549 32.010 -1.461 18467 1333 1 2 . 1 1 111 111 LYS H H 610 8.290 8.290 7.979 0.311 18467 1334 1 2 . 1 1 112 112 GLU N N 611 125.822 125.822 120.799 5.023 18467 1335 1 2 . 1 1 112 112 GLU HA H 611 4.763 4.763 4.638 0.125 18467 1336 1 2 . 1 1 112 112 GLU CA C 611 52.981 52.981 53.759 -0.778 18467 1337 1 2 . 1 1 112 112 GLU CB C 611 29.509 29.509 29.919 -0.410 18467 1338 1 2 . 1 1 112 112 GLU H H 611 8.595 8.595 7.508 1.087 18467 1339 1 2 . 1 1 113 113 PRO HA H 612 4.682 4.682 4.671 0.011 18467 1340 1 2 . 1 1 113 113 PRO C C 612 177.310 177.310 176.222 1.088 18467 1341 1 2 . 1 1 113 113 PRO CA C 612 62.649 62.649 62.868 -0.219 18467 1342 1 2 . 1 1 113 113 PRO CB C 612 32.139 32.139 32.129 0.010 18467 1343 1 2 . 1 1 114 114 VAL N N 613 124.773 124.773 122.433 2.340 18467 1344 1 2 . 1 1 114 114 VAL HA H 613 4.274 4.274 4.211 0.063 18467 1345 1 2 . 1 1 114 114 VAL C C 613 176.558 176.558 176.004 0.554 18467 1346 1 2 . 1 1 114 114 VAL CA C 613 62.350 62.350 61.480 0.870 18467 1347 1 2 . 1 1 114 114 VAL CB C 613 32.473 32.473 32.993 -0.520 18467 1348 1 2 . 1 1 114 114 VAL H H 613 9.214 9.214 8.700 0.514 18467 1349 1 2 . 1 1 115 115 ALA N N 614 132.583 132.583 130.895 1.688 18467 1350 1 2 . 1 1 115 115 ALA HA H 614 4.321 4.321 4.418 -0.097 18467 1351 1 2 . 1 1 115 115 ALA C C 614 178.354 178.354 177.537 0.817 18467 1352 1 2 . 1 1 115 115 ALA CA C 614 53.995 53.995 53.296 0.699 18467 1353 1 2 . 1 1 115 115 ALA CB C 614 19.616 19.616 19.983 -0.367 18467 1354 1 2 . 1 1 115 115 ALA H H 614 8.935 8.935 9.076 -0.141 18467 1355 1 2 . 1 1 116 116 GLU N N 615 115.172 115.172 118.179 -3.007 18467 1356 1 2 . 1 1 116 116 GLU HA H 615 4.866 4.866 4.833 0.033 18467 1357 1 2 . 1 1 116 116 GLU CA C 615 53.432 53.432 52.485 0.947 18467 1358 1 2 . 1 1 116 116 GLU CB C 615 31.554 31.554 30.570 0.984 18467 1359 1 2 . 1 1 116 116 GLU H H 615 6.867 6.867 7.928 -1.061 18467 1360 1 2 . 1 1 117 117 PRO HA H 616 5.651 5.651 4.710 0.941 18467 1361 1 2 . 1 1 117 117 PRO C C 616 177.099 177.099 176.802 0.297 18467 1362 1 2 . 1 1 117 117 PRO CA C 616 61.960 61.960 63.236 -1.276 18467 1363 1 2 . 1 1 117 117 PRO CB C 616 33.618 33.618 32.440 1.178 18467 1364 1 2 . 1 1 118 118 ASP N N 617 114.290 114.290 117.736 -3.446 18467 1365 1 2 . 1 1 118 118 ASP HA H 617 3.881 3.881 4.106 -0.225 18467 1366 1 2 . 1 1 118 118 ASP C C 617 174.967 174.967 176.364 -1.397 18467 1367 1 2 . 1 1 118 118 ASP CA C 617 54.921 54.921 55.146 -0.225 18467 1368 1 2 . 1 1 118 118 ASP CB C 617 37.857 37.857 40.454 -2.597 18467 1369 1 2 . 1 1 118 118 ASP H H 617 9.727 9.727 7.808 1.919 18467 1370 1 2 . 1 1 119 119 ILE N N 618 121.048 121.048 119.676 1.372 18467 1371 1 2 . 1 1 119 119 ILE HA H 618 4.037 4.037 4.115 -0.078 18467 1372 1 2 . 1 1 119 119 ILE C C 618 175.869 175.869 175.297 0.572 18467 1373 1 2 . 1 1 119 119 ILE CA C 618 62.807 62.807 60.862 1.945 18467 1374 1 2 . 1 1 119 119 ILE CB C 618 36.618 36.618 36.811 -0.193 18467 1375 1 2 . 1 1 119 119 ILE H H 618 8.750 8.750 8.395 0.355 18467 1376 1 2 . 1 1 120 120 MET N N 619 125.674 125.674 126.516 -0.842 18467 1377 1 2 . 1 1 120 120 MET HA H 619 4.601 4.601 4.510 0.091 18467 1378 1 2 . 1 1 120 120 MET C C 619 174.817 174.817 175.732 -0.915 18467 1379 1 2 . 1 1 120 120 MET CA C 619 54.936 54.936 55.791 -0.855 18467 1380 1 2 . 1 1 120 120 MET CB C 619 31.313 31.313 33.120 -1.807 18467 1381 1 2 . 1 1 120 120 MET H H 619 8.080 8.080 8.036 0.044 18467 1382 1 2 . 1 1 121 121 ALA N N 620 122.849 122.849 128.907 -6.058 18467 1383 1 2 . 1 1 121 121 ALA HA H 620 4.902 4.902 4.662 0.240 18467 1384 1 2 . 1 1 121 121 ALA C C 620 177.908 177.908 178.140 -0.232 18467 1385 1 2 . 1 1 121 121 ALA CA C 620 49.986 49.986 50.642 -0.656 18467 1386 1 2 . 1 1 121 121 ALA CB C 620 23.115 23.115 21.056 2.059 18467 1387 1 2 . 1 1 121 121 ALA H H 620 8.377 8.377 8.653 -0.276 18467 1388 1 2 . 1 1 122 122 THR N N 621 111.104 111.104 111.593 -0.489 18467 1389 1 2 . 1 1 122 122 THR HA H 621 4.051 4.051 4.173 -0.122 18467 1390 1 2 . 1 1 122 122 THR C C 621 176.320 176.320 175.454 0.866 18467 1391 1 2 . 1 1 122 122 THR CA C 621 64.524 64.524 64.556 -0.033 18467 1392 1 2 . 1 1 122 122 THR CB C 621 68.391 68.391 69.105 -0.714 18467 1393 1 2 . 1 1 122 122 THR H H 621 9.183 9.183 8.522 0.661 18467 1394 1 2 . 1 1 123 123 ASN N N 622 117.445 117.445 118.095 -0.650 18467 1395 1 2 . 1 1 123 123 ASN HA H 622 5.030 5.030 5.164 -0.134 18467 1396 1 2 . 1 1 123 123 ASN C C 622 173.263 173.263 174.653 -1.390 18467 1397 1 2 . 1 1 123 123 ASN CA C 622 51.203 51.203 53.203 -2.000 18467 1398 1 2 . 1 1 123 123 ASN CB C 622 37.076 37.076 39.080 -2.004 18467 1399 1 2 . 1 1 123 123 ASN H H 622 7.969 7.969 8.312 -0.343 18467 1400 1 2 . 1 1 124 124 GLY N N 623 102.705 102.705 106.088 -3.383 18467 1401 1 2 . 1 1 124 124 GLY C C 623 169.925 169.925 171.636 -1.711 18467 1402 1 2 . 1 1 124 124 GLY CA C 623 46.709 46.709 44.950 1.759 18467 1403 1 2 . 1 1 124 124 GLY H H 623 6.921 6.921 7.267 -0.346 18467 1404 1 2 . 1 1 125 125 VAL N N 624 119.913 119.913 119.010 0.903 18467 1405 1 2 . 1 1 125 125 VAL HA H 624 4.877 4.877 4.536 0.341 18467 1406 1 2 . 1 1 125 125 VAL C C 624 170.887 170.887 173.333 -2.446 18467 1407 1 2 . 1 1 125 125 VAL CA C 624 58.527 58.527 59.679 -1.152 18467 1408 1 2 . 1 1 125 125 VAL CB C 624 34.967 34.967 36.066 -1.099 18467 1409 1 2 . 1 1 125 125 VAL H H 624 8.485 8.485 8.161 0.324 18467 1410 1 2 . 1 1 126 126 VAL N N 625 127.599 127.599 127.323 0.276 18467 1411 1 2 . 1 1 126 126 VAL HA H 625 4.619 4.619 4.915 -0.296 18467 1412 1 2 . 1 1 126 126 VAL C C 625 172.882 172.882 174.172 -1.290 18467 1413 1 2 . 1 1 126 126 VAL CA C 625 60.534 60.534 60.156 0.378 18467 1414 1 2 . 1 1 126 126 VAL CB C 625 34.184 34.184 34.894 -0.710 18467 1415 1 2 . 1 1 126 126 VAL H H 625 9.106 9.106 8.638 0.468 18467 1416 1 2 . 1 1 127 127 HIS N N 626 124.292 124.292 124.701 -0.409 18467 1417 1 2 . 1 1 127 127 HIS HA H 626 5.494 5.494 5.137 0.357 18467 1418 1 2 . 1 1 127 127 HIS C C 626 175.629 175.629 174.696 0.933 18467 1419 1 2 . 1 1 127 127 HIS CA C 626 53.247 53.247 54.054 -0.807 18467 1420 1 2 . 1 1 127 127 HIS CB C 626 34.369 34.369 32.566 1.803 18467 1421 1 2 . 1 1 127 127 HIS H H 626 8.754 8.754 8.599 0.155 18467 1422 1 2 . 1 1 128 128 VAL N N 627 124.493 124.493 126.610 -2.117 18467 1423 1 2 . 1 1 128 128 VAL HA H 627 4.512 4.512 4.556 -0.044 18467 1424 1 2 . 1 1 128 128 VAL C C 627 176.349 176.349 175.502 0.847 18467 1425 1 2 . 1 1 128 128 VAL CA C 627 64.730 64.730 63.941 0.789 18467 1426 1 2 . 1 1 128 128 VAL CB C 627 32.980 32.980 31.633 1.347 18467 1427 1 2 . 1 1 128 128 VAL H H 627 8.812 8.812 8.857 -0.045 18467 1428 1 2 . 1 1 129 129 ILE N N 628 121.077 121.077 122.791 -1.714 18467 1429 1 2 . 1 1 129 129 ILE HA H 628 5.118 5.118 4.879 0.239 18467 1430 1 2 . 1 1 129 129 ILE C C 628 175.190 175.190 176.307 -1.117 18467 1431 1 2 . 1 1 129 129 ILE CA C 628 60.217 60.217 59.271 0.946 18467 1432 1 2 . 1 1 129 129 ILE CB C 628 42.539 42.539 41.337 1.202 18467 1433 1 2 . 1 1 129 129 ILE H H 628 8.629 8.629 9.125 -0.496 18467 1434 1 2 . 1 1 130 130 THR N N 629 108.406 108.406 112.333 -3.927 18467 1435 1 2 . 1 1 130 130 THR HA H 629 4.671 4.671 4.441 0.230 18467 1436 1 2 . 1 1 130 130 THR C C 629 172.980 172.980 173.971 -0.991 18467 1437 1 2 . 1 1 130 130 THR CA C 629 61.381 61.381 61.547 -0.166 18467 1438 1 2 . 1 1 130 130 THR CB C 629 68.784 68.784 69.261 -0.477 18467 1439 1 2 . 1 1 130 130 THR H H 629 9.368 9.368 8.764 0.604 18467 1440 1 2 . 1 1 131 131 ASN N N 630 117.533 117.533 118.578 -1.045 18467 1441 1 2 . 1 1 131 131 ASN HA H 630 4.754 4.754 4.912 -0.158 18467 1442 1 2 . 1 1 131 131 ASN C C 630 172.493 172.493 173.800 -1.307 18467 1443 1 2 . 1 1 131 131 ASN CA C 630 52.575 52.575 52.379 0.196 18467 1444 1 2 . 1 1 131 131 ASN CB C 630 43.079 43.079 41.871 1.208 18467 1445 1 2 . 1 1 131 131 ASN H H 630 7.355 7.355 7.578 -0.223 18467 1446 1 2 . 1 1 132 132 VAL N N 631 117.886 117.886 120.850 -2.964 18467 1447 1 2 . 1 1 132 132 VAL HA H 631 3.914 3.914 4.459 -0.545 18467 1448 1 2 . 1 1 132 132 VAL C C 631 176.909 176.909 175.378 1.531 18467 1449 1 2 . 1 1 132 132 VAL CA C 631 62.424 62.424 61.593 0.831 18467 1450 1 2 . 1 1 132 132 VAL CB C 631 32.453 32.453 33.499 -1.046 18467 1451 1 2 . 1 1 132 132 VAL H H 631 8.087 8.087 8.278 -0.191 18467 1452 1 2 . 1 1 133 133 LEU N N 632 130.948 130.948 123.726 7.222 18467 1453 1 2 . 1 1 133 133 LEU HA H 632 4.220 4.220 4.723 -0.503 18467 1454 1 2 . 1 1 133 133 LEU CA C 632 55.468 55.468 53.898 1.570 18467 1455 1 2 . 1 1 133 133 LEU H H 632 10.937 10.937 8.745 2.192 18467 1456 1 2 . 1 1 134 134 GLN N N 633 118.157 118.157 122.802 -4.645 18467 1457 1 2 . 1 1 134 134 GLN HA H 633 4.361 4.361 4.606 -0.245 18467 1458 1 2 . 1 1 134 134 GLN CA C 633 55.043 55.043 54.876 0.167 18467 1459 1 2 . 1 1 134 134 GLN CB C 633 31.449 31.449 29.828 1.621 18467 1460 1 2 . 1 1 134 134 GLN H H 633 7.992 7.992 8.633 -0.641 18467 1461 1 3 . 1 1 3 3 MET C C 502 175.861 175.861 175.498 0.363 18467 1462 1 3 . 1 1 3 3 MET CA C 502 55.905 55.905 55.061 0.844 18467 1463 1 3 . 1 1 3 3 MET CB C 502 34.158 34.158 31.255 2.903 18467 1464 1 3 . 1 1 4 4 GLY N N 503 111.094 111.094 112.378 -1.284 18467 1465 1 3 . 1 1 4 4 GLY C C 503 173.998 173.998 174.124 -0.126 18467 1466 1 3 . 1 1 4 4 GLY CA C 503 44.482 44.482 44.639 -0.157 18467 1467 1 3 . 1 1 4 4 GLY H H 503 8.376 8.376 8.501 -0.125 18467 1468 1 3 . 1 1 5 5 THR N N 504 111.539 111.539 113.531 -1.992 18467 1469 1 3 . 1 1 5 5 THR HA H 504 4.440 4.440 4.855 -0.415 18467 1470 1 3 . 1 1 5 5 THR C C 504 176.360 176.360 176.722 -0.362 18467 1471 1 3 . 1 1 5 5 THR CA C 504 61.986 61.986 60.206 1.780 18467 1472 1 3 . 1 1 5 5 THR CB C 504 73.034 73.034 70.774 2.260 18467 1473 1 3 . 1 1 5 5 THR H H 504 9.233 9.233 8.188 1.045 18467 1474 1 3 . 1 1 6 6 VAL N N 505 118.212 118.212 120.940 -2.728 18467 1475 1 3 . 1 1 6 6 VAL HA H 505 3.250 3.250 3.646 -0.396 18467 1476 1 3 . 1 1 6 6 VAL C C 505 177.264 177.264 178.010 -0.746 18467 1477 1 3 . 1 1 6 6 VAL CA C 505 67.200 67.200 67.013 0.187 18467 1478 1 3 . 1 1 6 6 VAL CB C 505 31.657 31.657 30.778 0.879 18467 1479 1 3 . 1 1 6 6 VAL H H 505 9.918 9.918 9.073 0.845 18467 1480 1 3 . 1 1 7 7 MET N N 506 114.107 114.107 118.386 -4.279 18467 1481 1 3 . 1 1 7 7 MET HA H 506 4.361 4.361 4.146 0.215 18467 1482 1 3 . 1 1 7 7 MET C C 506 178.097 178.097 177.783 0.314 18467 1483 1 3 . 1 1 7 7 MET CA C 506 56.075 56.075 57.729 -1.654 18467 1484 1 3 . 1 1 7 7 MET CB C 506 30.910 30.910 31.913 -1.003 18467 1485 1 3 . 1 1 7 7 MET H H 506 6.975 6.975 7.655 -0.680 18467 1486 1 3 . 1 1 8 8 ASP N N 507 120.374 120.374 119.844 0.530 18467 1487 1 3 . 1 1 8 8 ASP HA H 507 4.255 4.255 4.438 -0.183 18467 1488 1 3 . 1 1 8 8 ASP C C 507 179.824 179.824 178.523 1.301 18467 1489 1 3 . 1 1 8 8 ASP CA C 507 58.088 58.088 57.661 0.427 18467 1490 1 3 . 1 1 8 8 ASP CB C 507 40.526 40.526 40.877 -0.351 18467 1491 1 3 . 1 1 8 8 ASP H H 507 7.430 7.430 7.665 -0.235 18467 1492 1 3 . 1 1 9 9 VAL N N 508 121.326 121.326 120.723 0.603 18467 1493 1 3 . 1 1 9 9 VAL HA H 508 3.567 3.567 3.554 0.013 18467 1494 1 3 . 1 1 9 9 VAL C C 508 179.115 179.115 178.236 0.879 18467 1495 1 3 . 1 1 9 9 VAL CA C 508 66.131 66.131 66.556 -0.425 18467 1496 1 3 . 1 1 9 9 VAL CB C 508 31.666 31.666 31.850 -0.184 18467 1497 1 3 . 1 1 9 9 VAL H H 508 8.174 8.174 8.123 0.051 18467 1498 1 3 . 1 1 10 10 LEU N N 509 117.258 117.258 118.669 -1.411 18467 1499 1 3 . 1 1 10 10 LEU HA H 509 4.039 4.039 4.192 -0.153 18467 1500 1 3 . 1 1 10 10 LEU C C 509 179.091 179.091 178.997 0.094 18467 1501 1 3 . 1 1 10 10 LEU CA C 509 57.372 57.372 57.968 -0.596 18467 1502 1 3 . 1 1 10 10 LEU CB C 509 41.839 41.839 41.068 0.771 18467 1503 1 3 . 1 1 10 10 LEU H H 509 7.896 7.896 7.686 0.210 18467 1504 1 3 . 1 1 11 11 LYS N N 510 114.824 114.824 116.714 -1.890 18467 1505 1 3 . 1 1 11 11 LYS HA H 510 3.959 3.959 4.031 -0.072 18467 1506 1 3 . 1 1 11 11 LYS C C 510 178.021 178.021 178.323 -0.302 18467 1507 1 3 . 1 1 11 11 LYS CA C 510 59.047 59.047 59.198 -0.151 18467 1508 1 3 . 1 1 11 11 LYS CB C 510 32.771 32.771 32.234 0.537 18467 1509 1 3 . 1 1 11 11 LYS H H 510 8.377 8.377 7.928 0.449 18467 1510 1 3 . 1 1 12 12 GLY N N 511 104.574 104.574 104.991 -0.417 18467 1511 1 3 . 1 1 12 12 GLY C C 511 172.564 172.564 174.012 -1.448 18467 1512 1 3 . 1 1 12 12 GLY CA C 511 45.442 45.442 44.587 0.855 18467 1513 1 3 . 1 1 12 12 GLY H H 511 7.590 7.590 7.540 0.050 18467 1514 1 3 . 1 1 13 13 ASP N N 512 120.194 120.194 121.017 -0.823 18467 1515 1 3 . 1 1 13 13 ASP HA H 512 4.992 4.992 4.695 0.297 18467 1516 1 3 . 1 1 13 13 ASP CA C 512 52.469 52.469 53.371 -0.902 18467 1517 1 3 . 1 1 13 13 ASP CB C 512 43.985 43.985 42.822 1.163 18467 1518 1 3 . 1 1 13 13 ASP H H 512 7.074 7.074 7.494 -0.420 18467 1519 1 3 . 1 1 14 14 ASN HA H 513 4.447 4.447 4.615 -0.168 18467 1520 1 3 . 1 1 14 14 ASN C C 513 176.709 176.709 176.936 -0.227 18467 1521 1 3 . 1 1 14 14 ASN CA C 513 55.819 55.819 55.061 0.758 18467 1522 1 3 . 1 1 14 14 ASN CB C 513 38.100 38.100 38.272 -0.172 18467 1523 1 3 . 1 1 15 15 ARG N N 514 118.980 118.980 119.302 -0.322 18467 1524 1 3 . 1 1 15 15 ARG HA H 514 4.139 4.139 4.217 -0.078 18467 1525 1 3 . 1 1 15 15 ARG C C 514 176.109 176.109 176.325 -0.216 18467 1526 1 3 . 1 1 15 15 ARG CA C 514 58.061 58.061 56.879 1.182 18467 1527 1 3 . 1 1 15 15 ARG CB C 514 30.691 30.691 29.484 1.207 18467 1528 1 3 . 1 1 15 15 ARG H H 514 8.573 8.573 8.138 0.435 18467 1529 1 3 . 1 1 16 16 PHE N N 515 113.150 113.150 115.651 -2.501 18467 1530 1 3 . 1 1 16 16 PHE HA H 515 5.793 5.793 5.037 0.756 18467 1531 1 3 . 1 1 16 16 PHE C C 515 176.420 176.420 176.274 0.146 18467 1532 1 3 . 1 1 16 16 PHE CA C 515 55.966 55.966 54.972 0.994 18467 1533 1 3 . 1 1 16 16 PHE CB C 515 38.644 38.644 38.157 0.487 18467 1534 1 3 . 1 1 16 16 PHE H H 515 7.592 7.592 8.268 -0.676 18467 1535 1 3 . 1 1 17 17 SER N N 516 116.649 116.649 118.041 -1.392 18467 1536 1 3 . 1 1 17 17 SER HA H 516 4.062 4.062 4.249 -0.187 18467 1537 1 3 . 1 1 17 17 SER C C 516 178.631 178.631 176.127 2.504 18467 1538 1 3 . 1 1 17 17 SER CA C 516 62.695 62.695 62.272 0.423 18467 1539 1 3 . 1 1 17 17 SER CB C 516 62.147 62.147 63.135 -0.988 18467 1540 1 3 . 1 1 17 17 SER H H 516 7.527 7.527 7.589 -0.062 18467 1541 1 3 . 1 1 18 18 MET N N 517 124.591 124.591 120.781 3.810 18467 1542 1 3 . 1 1 18 18 MET HA H 517 4.122 4.122 4.374 -0.252 18467 1543 1 3 . 1 1 18 18 MET C C 517 177.503 177.503 177.149 0.354 18467 1544 1 3 . 1 1 18 18 MET CA C 517 59.707 59.707 57.896 1.811 18467 1545 1 3 . 1 1 18 18 MET CB C 517 32.304 32.304 32.327 -0.023 18467 1546 1 3 . 1 1 18 18 MET H H 517 9.271 9.271 7.799 1.472 18467 1547 1 3 . 1 1 19 19 LEU N N 518 123.039 123.039 120.778 2.261 18467 1548 1 3 . 1 1 19 19 LEU HA H 518 3.893 3.893 4.069 -0.176 18467 1549 1 3 . 1 1 19 19 LEU C C 518 178.414 178.414 177.934 0.480 18467 1550 1 3 . 1 1 19 19 LEU CA C 518 58.118 58.118 58.278 -0.160 18467 1551 1 3 . 1 1 19 19 LEU CB C 518 41.221 41.221 41.687 -0.466 18467 1552 1 3 . 1 1 19 19 LEU H H 518 8.587 8.587 7.959 0.628 18467 1553 1 3 . 1 1 20 20 VAL N N 519 118.518 118.518 119.521 -1.003 18467 1554 1 3 . 1 1 20 20 VAL HA H 519 3.322 3.322 3.589 -0.267 18467 1555 1 3 . 1 1 20 20 VAL C C 519 178.032 178.032 178.056 -0.024 18467 1556 1 3 . 1 1 20 20 VAL CA C 519 67.874 67.874 67.178 0.696 18467 1557 1 3 . 1 1 20 20 VAL CB C 519 31.600 31.600 30.837 0.763 18467 1558 1 3 . 1 1 20 20 VAL H H 519 9.070 9.070 7.991 1.079 18467 1559 1 3 . 1 1 21 21 ALA N N 520 122.534 122.534 121.573 0.961 18467 1560 1 3 . 1 1 21 21 ALA HA H 520 4.165 4.165 3.868 0.297 18467 1561 1 3 . 1 1 21 21 ALA C C 520 180.604 180.604 179.097 1.507 18467 1562 1 3 . 1 1 21 21 ALA CA C 520 55.125 55.125 55.140 -0.015 18467 1563 1 3 . 1 1 21 21 ALA CB C 520 17.702 17.702 18.023 -0.321 18467 1564 1 3 . 1 1 21 21 ALA H H 520 7.594 7.594 7.509 0.085 18467 1565 1 3 . 1 1 22 22 ALA N N 521 123.185 123.185 122.087 1.098 18467 1566 1 3 . 1 1 22 22 ALA HA H 521 3.945 3.945 3.989 -0.044 18467 1567 1 3 . 1 1 22 22 ALA C C 521 178.468 178.468 179.742 -1.274 18467 1568 1 3 . 1 1 22 22 ALA CA C 521 54.905 54.905 55.051 -0.146 18467 1569 1 3 . 1 1 22 22 ALA CB C 521 17.956 17.956 18.305 -0.350 18467 1570 1 3 . 1 1 22 22 ALA H H 521 8.549 8.549 7.971 0.578 18467 1571 1 3 . 1 1 23 23 ILE N N 522 120.269 120.269 118.744 1.525 18467 1572 1 3 . 1 1 23 23 ILE HA H 522 3.275 3.275 3.523 -0.248 18467 1573 1 3 . 1 1 23 23 ILE C C 522 178.024 178.024 177.647 0.377 18467 1574 1 3 . 1 1 23 23 ILE CA C 522 66.015 66.015 65.275 0.740 18467 1575 1 3 . 1 1 23 23 ILE CB C 522 38.407 38.407 37.749 0.658 18467 1576 1 3 . 1 1 23 23 ILE H H 522 8.963 8.963 8.386 0.577 18467 1577 1 3 . 1 1 24 24 GLN N N 523 118.677 118.677 120.698 -2.021 18467 1578 1 3 . 1 1 24 24 GLN HA H 523 4.169 4.169 4.074 0.095 18467 1579 1 3 . 1 1 24 24 GLN C C 523 180.200 180.200 178.407 1.793 18467 1580 1 3 . 1 1 24 24 GLN CA C 523 58.567 58.567 58.114 0.453 18467 1581 1 3 . 1 1 24 24 GLN CB C 523 27.611 27.611 28.310 -0.699 18467 1582 1 3 . 1 1 24 24 GLN H H 523 7.976 7.976 8.355 -0.379 18467 1583 1 3 . 1 1 25 25 SER N N 524 117.810 117.810 114.783 3.027 18467 1584 1 3 . 1 1 25 25 SER C C 524 175.679 175.679 175.899 -0.220 18467 1585 1 3 . 1 1 25 25 SER CA C 524 62.046 62.046 60.706 1.340 18467 1586 1 3 . 1 1 25 25 SER CB C 524 63.015 63.015 63.185 -0.170 18467 1587 1 3 . 1 1 25 25 SER H H 524 8.311 8.311 8.309 0.002 18467 1588 1 3 . 1 1 26 26 ALA N N 525 119.017 119.017 120.280 -1.263 18467 1589 1 3 . 1 1 26 26 ALA HA H 525 4.307 4.307 4.194 0.113 18467 1590 1 3 . 1 1 26 26 ALA C C 525 176.838 176.838 178.086 -1.248 18467 1591 1 3 . 1 1 26 26 ALA CA C 525 52.205 52.205 52.734 -0.529 18467 1592 1 3 . 1 1 26 26 ALA CB C 525 19.912 19.912 19.007 0.905 18467 1593 1 3 . 1 1 26 26 ALA H H 525 8.322 8.322 7.510 0.812 18467 1594 1 3 . 1 1 27 27 GLY N N 526 105.650 105.650 106.419 -0.769 18467 1595 1 3 . 1 1 27 27 GLY C C 526 176.606 176.606 175.450 1.156 18467 1596 1 3 . 1 1 27 27 GLY CA C 526 46.361 46.361 45.782 0.579 18467 1597 1 3 . 1 1 27 27 GLY H H 526 7.749 7.749 7.695 0.054 18467 1598 1 3 . 1 1 28 28 LEU N N 527 118.441 118.441 113.774 4.667 18467 1599 1 3 . 1 1 28 28 LEU HA H 527 4.452 4.452 4.852 -0.400 18467 1600 1 3 . 1 1 28 28 LEU C C 527 175.786 175.786 177.368 -1.582 18467 1601 1 3 . 1 1 28 28 LEU CA C 527 54.774 54.774 53.720 1.054 18467 1602 1 3 . 1 1 28 28 LEU CB C 527 45.162 45.162 40.844 4.317 18467 1603 1 3 . 1 1 28 28 LEU H H 527 8.100 8.100 7.384 0.716 18467 1604 1 3 . 1 1 29 29 THR N N 528 117.975 117.975 117.786 0.189 18467 1605 1 3 . 1 1 29 29 THR HA H 528 3.539 3.539 3.867 -0.328 18467 1606 1 3 . 1 1 29 29 THR C C 528 175.468 175.468 176.058 -0.590 18467 1607 1 3 . 1 1 29 29 THR CA C 528 66.819 66.819 67.416 -0.597 18467 1608 1 3 . 1 1 29 29 THR CB C 528 68.696 68.696 68.375 0.321 18467 1609 1 3 . 1 1 29 29 THR H H 528 7.584 7.584 8.301 -0.717 18467 1610 1 3 . 1 1 30 30 GLU N N 529 117.727 117.727 119.533 -1.806 18467 1611 1 3 . 1 1 30 30 GLU HA H 529 3.986 3.986 4.084 -0.098 18467 1612 1 3 . 1 1 30 30 GLU C C 529 179.348 179.348 177.827 1.521 18467 1613 1 3 . 1 1 30 30 GLU CA C 529 59.738 59.738 59.042 0.696 18467 1614 1 3 . 1 1 30 30 GLU CB C 529 28.596 28.596 28.633 -0.037 18467 1615 1 3 . 1 1 30 30 GLU H H 529 8.304 8.304 8.709 -0.405 18467 1616 1 3 . 1 1 31 31 THR N N 530 116.063 116.063 115.049 1.014 18467 1617 1 3 . 1 1 31 31 THR HA H 530 3.758 3.758 4.059 -0.301 18467 1618 1 3 . 1 1 31 31 THR C C 530 175.858 175.858 176.338 -0.480 18467 1619 1 3 . 1 1 31 31 THR CA C 530 67.207 67.207 65.455 1.752 18467 1620 1 3 . 1 1 31 31 THR CB C 530 69.145 69.145 68.922 0.223 18467 1621 1 3 . 1 1 31 31 THR H H 530 7.698 7.698 7.529 0.169 18467 1622 1 3 . 1 1 32 32 LEU N N 531 116.755 116.755 120.616 -3.861 18467 1623 1 3 . 1 1 32 32 LEU HA H 531 3.921 3.921 3.889 0.032 18467 1624 1 3 . 1 1 32 32 LEU C C 531 176.163 176.163 178.486 -2.323 18467 1625 1 3 . 1 1 32 32 LEU CA C 531 55.681 55.681 57.129 -1.448 18467 1626 1 3 . 1 1 32 32 LEU CB C 531 41.417 41.417 41.335 0.082 18467 1627 1 3 . 1 1 32 32 LEU H H 531 7.108 7.108 7.406 -0.298 18467 1628 1 3 . 1 1 33 33 ASN N N 532 118.731 118.731 116.125 2.606 18467 1629 1 3 . 1 1 33 33 ASN HA H 532 4.973 4.973 4.802 0.171 18467 1630 1 3 . 1 1 33 33 ASN C C 532 174.820 174.820 174.682 0.138 18467 1631 1 3 . 1 1 33 33 ASN CA C 532 52.139 52.139 52.814 -0.675 18467 1632 1 3 . 1 1 33 33 ASN CB C 532 40.952 40.952 38.964 1.988 18467 1633 1 3 . 1 1 33 33 ASN H H 532 7.751 7.751 8.067 -0.316 18467 1634 1 3 . 1 1 34 34 ARG N N 533 119.562 119.562 120.936 -1.374 18467 1635 1 3 . 1 1 34 34 ARG HA H 533 4.531 4.531 4.487 0.044 18467 1636 1 3 . 1 1 34 34 ARG C C 533 175.355 175.355 175.183 0.172 18467 1637 1 3 . 1 1 34 34 ARG CA C 533 55.591 55.591 55.189 0.402 18467 1638 1 3 . 1 1 34 34 ARG CB C 533 32.007 32.007 31.906 0.101 18467 1639 1 3 . 1 1 34 34 ARG H H 533 7.296 7.296 7.338 -0.042 18467 1640 1 3 . 1 1 35 35 GLU N N 534 120.049 120.049 123.900 -3.851 18467 1641 1 3 . 1 1 35 35 GLU HA H 534 4.238 4.238 4.343 -0.105 18467 1642 1 3 . 1 1 35 35 GLU C C 534 176.281 176.281 176.083 0.198 18467 1643 1 3 . 1 1 35 35 GLU CA C 534 57.698 57.698 57.519 0.179 18467 1644 1 3 . 1 1 35 35 GLU CB C 534 29.807 29.807 30.137 -0.330 18467 1645 1 3 . 1 1 35 35 GLU H H 534 8.508 8.508 8.570 -0.062 18467 1646 1 3 . 1 1 36 36 GLY N N 535 110.987 110.987 109.775 1.212 18467 1647 1 3 . 1 1 36 36 GLY C C 535 170.566 170.566 171.960 -1.394 18467 1648 1 3 . 1 1 36 36 GLY CA C 535 44.853 44.853 44.433 0.420 18467 1649 1 3 . 1 1 36 36 GLY H H 535 7.949 7.949 8.564 -0.615 18467 1650 1 3 . 1 1 37 37 VAL N N 536 114.744 114.744 116.998 -2.254 18467 1651 1 3 . 1 1 37 37 VAL HA H 536 4.126 4.126 4.661 -0.535 18467 1652 1 3 . 1 1 37 37 VAL C C 536 173.026 173.026 173.754 -0.728 18467 1653 1 3 . 1 1 37 37 VAL CA C 536 59.318 59.318 60.153 -0.835 18467 1654 1 3 . 1 1 37 37 VAL CB C 536 33.633 33.633 34.200 -0.567 18467 1655 1 3 . 1 1 37 37 VAL H H 536 7.189 7.189 7.668 -0.479 18467 1656 1 3 . 1 1 38 38 TYR N N 537 117.326 117.326 123.515 -6.189 18467 1657 1 3 . 1 1 38 38 TYR HA H 537 5.187 5.187 5.155 0.032 18467 1658 1 3 . 1 1 38 38 TYR C C 537 176.236 176.236 174.929 1.307 18467 1659 1 3 . 1 1 38 38 TYR CA C 537 56.755 56.755 56.631 0.124 18467 1660 1 3 . 1 1 38 38 TYR CB C 537 42.471 42.471 43.097 -0.626 18467 1661 1 3 . 1 1 38 38 TYR H H 537 7.491 7.491 8.076 -0.585 18467 1662 1 3 . 1 1 39 39 THR N N 538 117.089 117.089 119.923 -2.834 18467 1663 1 3 . 1 1 39 39 THR HA H 538 4.789 4.789 4.810 -0.021 18467 1664 1 3 . 1 1 39 39 THR C C 538 173.433 173.433 173.719 -0.286 18467 1665 1 3 . 1 1 39 39 THR CA C 538 62.170 62.170 62.126 0.044 18467 1666 1 3 . 1 1 39 39 THR CB C 538 70.774 70.774 69.538 1.236 18467 1667 1 3 . 1 1 39 39 THR H H 538 7.902 7.902 8.447 -0.545 18467 1668 1 3 . 1 1 40 40 VAL N N 539 126.906 126.906 128.013 -1.107 18467 1669 1 3 . 1 1 40 40 VAL HA H 539 4.523 4.523 4.667 -0.144 18467 1670 1 3 . 1 1 40 40 VAL C C 539 173.960 173.960 174.375 -0.415 18467 1671 1 3 . 1 1 40 40 VAL CA C 539 61.184 61.184 61.249 -0.065 18467 1672 1 3 . 1 1 40 40 VAL CB C 539 33.968 33.968 32.005 1.963 18467 1673 1 3 . 1 1 40 40 VAL H H 539 9.183 9.183 9.102 0.081 18467 1674 1 3 . 1 1 41 41 PHE N N 540 128.634 128.634 128.161 0.473 18467 1675 1 3 . 1 1 41 41 PHE HA H 540 5.332 5.332 4.727 0.605 18467 1676 1 3 . 1 1 41 41 PHE C C 540 173.378 173.378 175.038 -1.660 18467 1677 1 3 . 1 1 41 41 PHE CA C 540 57.718 57.718 57.475 0.243 18467 1678 1 3 . 1 1 41 41 PHE CB C 540 38.255 38.255 38.597 -0.342 18467 1679 1 3 . 1 1 41 41 PHE H H 540 9.084 9.084 8.865 0.219 18467 1680 1 3 . 1 1 42 42 ALA N N 541 125.989 125.989 129.691 -3.702 18467 1681 1 3 . 1 1 42 42 ALA HA H 541 4.499 4.499 4.765 -0.266 18467 1682 1 3 . 1 1 42 42 ALA CA C 541 49.035 49.035 48.770 0.265 18467 1683 1 3 . 1 1 42 42 ALA CB C 541 22.804 22.804 19.182 3.622 18467 1684 1 3 . 1 1 42 42 ALA H H 541 8.572 8.572 8.813 -0.241 18467 1685 1 3 . 1 1 43 43 PRO HA H 542 5.030 5.030 5.383 -0.353 18467 1686 1 3 . 1 1 43 43 PRO C C 542 177.796 177.796 177.450 0.346 18467 1687 1 3 . 1 1 43 43 PRO CA C 542 60.823 60.823 61.870 -1.046 18467 1688 1 3 . 1 1 43 43 PRO CB C 542 31.462 31.462 32.578 -1.117 18467 1689 1 3 . 1 1 44 44 THR N N 543 111.786 111.786 113.906 -2.120 18467 1690 1 3 . 1 1 44 44 THR HA H 543 4.423 4.423 4.605 -0.182 18467 1691 1 3 . 1 1 44 44 THR C C 543 176.323 176.323 175.890 0.433 18467 1692 1 3 . 1 1 44 44 THR CA C 543 60.816 60.816 60.543 0.273 18467 1693 1 3 . 1 1 44 44 THR CB C 543 71.498 71.498 69.947 1.551 18467 1694 1 3 . 1 1 44 44 THR H H 543 7.739 7.739 8.527 -0.788 18467 1695 1 3 . 1 1 45 45 ASN N N 544 118.432 118.432 118.560 -0.128 18467 1696 1 3 . 1 1 45 45 ASN HA H 544 4.621 4.621 4.443 0.178 18467 1697 1 3 . 1 1 45 45 ASN C C 544 177.738 177.738 176.521 1.217 18467 1698 1 3 . 1 1 45 45 ASN CA C 544 56.092 56.092 55.936 0.156 18467 1699 1 3 . 1 1 45 45 ASN CB C 544 37.329 37.329 38.637 -1.308 18467 1700 1 3 . 1 1 45 45 ASN H H 544 8.679 8.679 8.363 0.316 18467 1701 1 3 . 1 1 46 46 GLU N N 545 117.774 117.774 116.375 1.399 18467 1702 1 3 . 1 1 46 46 GLU HA H 545 3.800 3.800 4.128 -0.328 18467 1703 1 3 . 1 1 46 46 GLU C C 545 178.277 178.277 176.286 1.991 18467 1704 1 3 . 1 1 46 46 GLU CA C 545 60.129 60.129 57.917 2.212 18467 1705 1 3 . 1 1 46 46 GLU CB C 545 29.254 29.254 28.610 0.644 18467 1706 1 3 . 1 1 46 46 GLU H H 545 8.213 8.213 8.305 -0.092 18467 1707 1 3 . 1 1 47 47 ALA N N 546 121.430 121.430 120.806 0.624 18467 1708 1 3 . 1 1 47 47 ALA HA H 546 3.965 3.965 4.170 -0.205 18467 1709 1 3 . 1 1 47 47 ALA C C 546 180.270 180.270 179.673 0.597 18467 1710 1 3 . 1 1 47 47 ALA CA C 546 54.894 54.894 53.938 0.956 18467 1711 1 3 . 1 1 47 47 ALA CB C 546 19.469 19.469 18.706 0.763 18467 1712 1 3 . 1 1 47 47 ALA H H 546 7.344 7.344 7.001 0.343 18467 1713 1 3 . 1 1 48 48 PHE N N 547 115.617 115.617 117.707 -2.090 18467 1714 1 3 . 1 1 48 48 PHE HA H 547 3.923 3.923 3.713 0.210 18467 1715 1 3 . 1 1 48 48 PHE C C 547 178.849 178.849 175.772 3.077 18467 1716 1 3 . 1 1 48 48 PHE CA C 547 61.460 61.460 59.152 2.308 18467 1717 1 3 . 1 1 48 48 PHE CB C 547 38.400 38.400 37.645 0.755 18467 1718 1 3 . 1 1 48 48 PHE H H 547 7.128 7.128 6.910 0.218 18467 1719 1 3 . 1 1 49 49 ARG N N 548 118.721 118.721 116.963 1.758 18467 1720 1 3 . 1 1 49 49 ARG C C 548 175.961 175.961 176.715 -0.754 18467 1721 1 3 . 1 1 49 49 ARG CA C 548 58.359 58.359 56.294 2.065 18467 1722 1 3 . 1 1 49 49 ARG CB C 548 30.082 30.082 29.780 0.302 18467 1723 1 3 . 1 1 49 49 ARG H H 548 8.233 8.233 7.866 0.367 18467 1724 1 3 . 1 1 50 50 ALA N N 549 118.911 118.911 121.544 -2.633 18467 1725 1 3 . 1 1 50 50 ALA HA H 549 4.309 4.309 4.276 0.033 18467 1726 1 3 . 1 1 50 50 ALA C C 549 178.758 178.758 177.606 1.152 18467 1727 1 3 . 1 1 50 50 ALA CA C 549 52.405 52.405 53.029 -0.624 18467 1728 1 3 . 1 1 50 50 ALA CB C 549 18.856 18.856 19.247 -0.391 18467 1729 1 3 . 1 1 50 50 ALA H H 549 7.166 7.166 7.410 -0.244 18467 1730 1 3 . 1 1 51 51 LEU N N 550 119.543 119.543 120.582 -1.039 18467 1731 1 3 . 1 1 51 51 LEU HA H 550 4.541 4.541 4.799 -0.258 18467 1732 1 3 . 1 1 51 51 LEU CA C 550 53.504 53.504 51.893 1.611 18467 1733 1 3 . 1 1 51 51 LEU CB C 550 41.195 41.195 42.911 -1.716 18467 1734 1 3 . 1 1 51 51 LEU H H 550 7.130 7.130 7.380 -0.250 18467 1735 1 3 . 1 1 52 52 PRO HA H 551 4.780 4.780 4.677 0.103 18467 1736 1 3 . 1 1 52 52 PRO CA C 551 61.356 61.356 62.081 -0.725 18467 1737 1 3 . 1 1 52 52 PRO CB C 551 31.589 31.589 31.426 0.163 18467 1738 1 3 . 1 1 53 53 PRO HA H 552 4.415 4.415 4.191 0.224 18467 1739 1 3 . 1 1 53 53 PRO CA C 552 65.934 65.934 65.892 0.041 18467 1740 1 3 . 1 1 53 53 PRO CB C 552 32.117 32.117 32.020 0.097 18467 1741 1 3 . 1 1 54 54 ARG C C 553 178.861 178.861 178.452 0.409 18467 1742 1 3 . 1 1 54 54 ARG CA C 553 59.040 59.040 59.245 -0.205 18467 1743 1 3 . 1 1 54 54 ARG CB C 553 29.650 29.650 29.937 -0.287 18467 1744 1 3 . 1 1 55 55 GLU N N 554 120.619 120.619 118.865 1.754 18467 1745 1 3 . 1 1 55 55 GLU HA H 554 4.569 4.569 4.216 0.353 18467 1746 1 3 . 1 1 55 55 GLU CA C 554 57.913 57.913 58.769 -0.856 18467 1747 1 3 . 1 1 55 55 GLU CB C 554 29.799 29.799 30.118 -0.319 18467 1748 1 3 . 1 1 55 55 GLU H H 554 7.713 7.713 8.013 -0.300 18467 1749 1 3 . 1 1 56 56 TRP N N 555 120.789 120.789 121.136 -0.347 18467 1750 1 3 . 1 1 56 56 TRP HA H 555 4.790 4.790 4.620 0.170 18467 1751 1 3 . 1 1 56 56 TRP C C 555 176.837 176.837 178.379 -1.542 18467 1752 1 3 . 1 1 56 56 TRP CA C 555 59.458 59.458 61.480 -2.022 18467 1753 1 3 . 1 1 56 56 TRP CB C 555 30.606 30.606 30.095 0.511 18467 1754 1 3 . 1 1 56 56 TRP H H 555 8.151 8.151 8.314 -0.163 18467 1755 1 3 . 1 1 57 57 SER N N 556 110.579 110.579 114.974 -4.395 18467 1756 1 3 . 1 1 57 57 SER HA H 556 4.169 4.169 4.144 0.025 18467 1757 1 3 . 1 1 57 57 SER C C 556 177.169 177.169 176.266 0.903 18467 1758 1 3 . 1 1 57 57 SER CA C 556 61.964 61.964 61.570 0.394 18467 1759 1 3 . 1 1 57 57 SER H H 556 8.263 8.263 8.638 -0.375 18467 1760 1 3 . 1 1 58 58 ARG N N 557 122.546 122.546 120.630 1.916 18467 1761 1 3 . 1 1 58 58 ARG CA C 557 59.314 59.314 58.694 0.620 18467 1762 1 3 . 1 1 58 58 ARG CB C 557 30.188 30.188 30.054 0.134 18467 1763 1 3 . 1 1 58 58 ARG H H 557 7.594 7.594 7.776 -0.182 18467 1764 1 3 . 1 1 59 59 LEU N N 558 120.695 120.695 119.746 0.949 18467 1765 1 3 . 1 1 59 59 LEU HA H 558 3.902 3.902 3.822 0.080 18467 1766 1 3 . 1 1 59 59 LEU C C 558 178.293 178.293 179.246 -0.953 18467 1767 1 3 . 1 1 59 59 LEU CA C 558 57.989 57.989 57.440 0.549 18467 1768 1 3 . 1 1 59 59 LEU CB C 558 41.974 41.974 41.433 0.541 18467 1769 1 3 . 1 1 59 59 LEU H H 558 8.143 8.143 7.210 0.933 18467 1770 1 3 . 1 1 60 60 LEU N N 559 115.713 115.713 115.395 0.318 18467 1771 1 3 . 1 1 60 60 LEU HA H 559 3.643 3.643 4.024 -0.381 18467 1772 1 3 . 1 1 60 60 LEU C C 559 178.818 178.818 177.796 1.022 18467 1773 1 3 . 1 1 60 60 LEU CA C 559 56.773 56.773 55.658 1.115 18467 1774 1 3 . 1 1 60 60 LEU CB C 559 41.434 41.434 41.743 -0.309 18467 1775 1 3 . 1 1 60 60 LEU H H 559 7.725 7.725 8.276 -0.551 18467 1776 1 3 . 1 1 61 61 GLY N N 560 103.312 103.312 105.528 -2.216 18467 1777 1 3 . 1 1 61 61 GLY C C 560 173.364 173.364 173.950 -0.586 18467 1778 1 3 . 1 1 61 61 GLY CA C 560 45.029 45.029 45.191 -0.162 18467 1779 1 3 . 1 1 61 61 GLY H H 560 7.311 7.311 7.270 0.041 18467 1780 1 3 . 1 1 62 62 ASP N N 561 122.455 122.455 118.135 4.320 18467 1781 1 3 . 1 1 62 62 ASP HA H 561 4.847 4.847 4.820 0.027 18467 1782 1 3 . 1 1 62 62 ASP C C 561 173.909 173.909 175.226 -1.317 18467 1783 1 3 . 1 1 62 62 ASP CA C 561 52.302 52.302 52.752 -0.450 18467 1784 1 3 . 1 1 62 62 ASP CB C 561 41.362 41.362 43.865 -2.503 18467 1785 1 3 . 1 1 62 62 ASP H H 561 7.532 7.532 7.622 -0.090 18467 1786 1 3 . 1 1 63 63 ALA N N 562 125.643 125.643 125.904 -0.261 18467 1787 1 3 . 1 1 63 63 ALA HA H 562 4.019 4.019 4.082 -0.063 18467 1788 1 3 . 1 1 63 63 ALA C C 562 180.109 180.109 178.765 1.344 18467 1789 1 3 . 1 1 63 63 ALA CA C 562 55.660 55.660 55.363 0.297 18467 1790 1 3 . 1 1 63 63 ALA CB C 562 18.980 18.980 19.259 -0.279 18467 1791 1 3 . 1 1 63 63 ALA H H 562 8.372 8.372 8.720 -0.348 18467 1792 1 3 . 1 1 64 64 LYS N N 563 117.354 117.354 116.030 1.324 18467 1793 1 3 . 1 1 64 64 LYS HA H 563 4.116 4.116 4.100 0.016 18467 1794 1 3 . 1 1 64 64 LYS C C 563 179.293 179.293 178.576 0.717 18467 1795 1 3 . 1 1 64 64 LYS CA C 563 59.459 59.459 58.423 1.036 18467 1796 1 3 . 1 1 64 64 LYS CB C 563 32.165 32.165 31.477 0.688 18467 1797 1 3 . 1 1 64 64 LYS H H 563 8.111 8.111 8.627 -0.516 18467 1798 1 3 . 1 1 65 65 GLU N N 564 120.953 120.953 120.310 0.643 18467 1799 1 3 . 1 1 65 65 GLU HA H 564 4.207 4.207 4.037 0.170 18467 1800 1 3 . 1 1 65 65 GLU C C 564 179.679 179.679 178.469 1.210 18467 1801 1 3 . 1 1 65 65 GLU CA C 564 58.683 58.683 58.565 0.118 18467 1802 1 3 . 1 1 65 65 GLU CB C 564 29.403 29.403 29.257 0.146 18467 1803 1 3 . 1 1 65 65 GLU H H 564 7.725 7.725 7.628 0.097 18467 1804 1 3 . 1 1 66 66 LEU N N 565 120.534 120.534 120.832 -0.298 18467 1805 1 3 . 1 1 66 66 LEU HA H 565 4.117 4.117 3.621 0.496 18467 1806 1 3 . 1 1 66 66 LEU C C 565 178.692 178.692 178.773 -0.081 18467 1807 1 3 . 1 1 66 66 LEU CA C 565 57.883 57.883 57.921 -0.038 18467 1808 1 3 . 1 1 66 66 LEU CB C 565 40.916 40.916 41.731 -0.815 18467 1809 1 3 . 1 1 66 66 LEU H H 565 8.668 8.668 8.159 0.509 18467 1810 1 3 . 1 1 67 67 ALA N N 566 119.170 119.170 119.588 -0.418 18467 1811 1 3 . 1 1 67 67 ALA HA H 566 3.904 3.904 3.815 0.089 18467 1812 1 3 . 1 1 67 67 ALA C C 566 179.042 179.042 179.492 -0.450 18467 1813 1 3 . 1 1 67 67 ALA CA C 566 55.916 55.916 55.004 0.912 18467 1814 1 3 . 1 1 67 67 ALA CB C 566 17.972 17.972 17.836 0.136 18467 1815 1 3 . 1 1 67 67 ALA H H 566 8.474 8.474 8.421 0.053 18467 1816 1 3 . 1 1 68 68 ASN N N 567 115.725 115.725 117.348 -1.623 18467 1817 1 3 . 1 1 68 68 ASN HA H 567 4.479 4.479 4.440 0.039 18467 1818 1 3 . 1 1 68 68 ASN CA C 567 57.014 57.014 56.287 0.727 18467 1819 1 3 . 1 1 68 68 ASN CB C 567 38.597 38.597 38.322 0.275 18467 1820 1 3 . 1 1 68 68 ASN H H 567 7.555 7.555 7.590 -0.035 18467 1821 1 3 . 1 1 69 69 ILE N N 568 118.231 118.231 118.409 -0.178 18467 1822 1 3 . 1 1 69 69 ILE HA H 568 4.125 4.125 4.049 0.076 18467 1823 1 3 . 1 1 69 69 ILE C C 568 179.766 179.766 178.623 1.143 18467 1824 1 3 . 1 1 69 69 ILE CA C 568 64.168 64.168 63.580 0.588 18467 1825 1 3 . 1 1 69 69 ILE CB C 568 38.547 38.547 38.537 0.010 18467 1826 1 3 . 1 1 69 69 ILE H H 568 7.832 7.832 7.445 0.387 18467 1827 1 3 . 1 1 70 70 LEU N N 569 120.962 120.962 122.332 -1.370 18467 1828 1 3 . 1 1 70 70 LEU HA H 569 4.114 4.114 3.722 0.392 18467 1829 1 3 . 1 1 70 70 LEU C C 569 179.633 179.633 178.341 1.292 18467 1830 1 3 . 1 1 70 70 LEU CA C 569 58.463 58.463 58.063 0.400 18467 1831 1 3 . 1 1 70 70 LEU CB C 569 42.056 42.056 41.602 0.454 18467 1832 1 3 . 1 1 70 70 LEU H H 569 8.705 8.705 8.173 0.532 18467 1833 1 3 . 1 1 71 71 LYS N N 570 116.318 116.318 117.505 -1.187 18467 1834 1 3 . 1 1 71 71 LYS HA H 570 3.933 3.933 4.108 -0.175 18467 1835 1 3 . 1 1 71 71 LYS C C 570 177.691 177.691 177.988 -0.297 18467 1836 1 3 . 1 1 71 71 LYS CA C 570 60.750 60.750 58.501 2.249 18467 1837 1 3 . 1 1 71 71 LYS CB C 570 32.439 32.439 32.436 0.003 18467 1838 1 3 . 1 1 71 71 LYS H H 570 8.889 8.889 7.900 0.989 18467 1839 1 3 . 1 1 72 72 TYR N N 571 119.628 119.628 118.226 1.402 18467 1840 1 3 . 1 1 72 72 TYR HA H 571 4.596 4.596 4.474 0.122 18467 1841 1 3 . 1 1 72 72 TYR C C 571 171.958 171.958 175.803 -3.845 18467 1842 1 3 . 1 1 72 72 TYR CA C 571 59.022 59.022 59.543 -0.521 18467 1843 1 3 . 1 1 72 72 TYR CB C 571 38.970 38.970 38.697 0.273 18467 1844 1 3 . 1 1 72 72 TYR H H 571 7.557 7.557 7.906 -0.349 18467 1845 1 3 . 1 1 73 73 HIS N N 572 108.692 108.692 115.791 -7.099 18467 1846 1 3 . 1 1 73 73 HIS HA H 572 4.206 4.206 4.498 -0.292 18467 1847 1 3 . 1 1 73 73 HIS C C 572 173.668 173.668 174.767 -1.099 18467 1848 1 3 . 1 1 73 73 HIS CA C 572 58.880 58.880 57.188 1.692 18467 1849 1 3 . 1 1 73 73 HIS CB C 572 28.164 28.164 29.914 -1.750 18467 1850 1 3 . 1 1 73 73 HIS H H 572 7.583 7.583 7.685 -0.102 18467 1851 1 3 . 1 1 74 74 ILE N N 573 117.585 117.585 119.903 -2.318 18467 1852 1 3 . 1 1 74 74 ILE HA H 573 5.236 5.236 4.504 0.732 18467 1853 1 3 . 1 1 74 74 ILE C C 573 175.634 175.634 175.716 -0.082 18467 1854 1 3 . 1 1 74 74 ILE CA C 573 59.501 59.501 58.890 0.611 18467 1855 1 3 . 1 1 74 74 ILE CB C 573 40.955 40.955 36.697 4.258 18467 1856 1 3 . 1 1 74 74 ILE H H 573 7.283 7.283 7.080 0.203 18467 1857 1 3 . 1 1 75 75 GLY N N 574 111.783 111.783 113.840 -2.057 18467 1858 1 3 . 1 1 75 75 GLY C C 574 173.914 173.914 175.873 -1.959 18467 1859 1 3 . 1 1 75 75 GLY CA C 574 43.960 43.960 44.011 -0.051 18467 1860 1 3 . 1 1 75 75 GLY H H 574 10.218 10.218 9.132 1.086 18467 1861 1 3 . 1 1 76 76 ASP N N 575 120.537 120.537 120.477 0.060 18467 1862 1 3 . 1 1 76 76 ASP HA H 575 4.759 4.759 4.560 0.199 18467 1863 1 3 . 1 1 76 76 ASP C C 575 174.756 174.756 175.625 -0.869 18467 1864 1 3 . 1 1 76 76 ASP CA C 575 53.707 53.707 55.413 -1.706 18467 1865 1 3 . 1 1 76 76 ASP CB C 575 41.029 41.029 41.507 -0.478 18467 1866 1 3 . 1 1 76 76 ASP H H 575 8.361 8.361 8.700 -0.339 18467 1867 1 3 . 1 1 77 77 GLU N N 576 114.270 114.270 116.068 -1.798 18467 1868 1 3 . 1 1 77 77 GLU HA H 576 4.472 4.472 4.544 -0.072 18467 1869 1 3 . 1 1 77 77 GLU CA C 576 54.500 54.500 54.269 0.231 18467 1870 1 3 . 1 1 77 77 GLU CB C 576 33.422 33.422 32.162 1.260 18467 1871 1 3 . 1 1 77 77 GLU H H 576 7.266 7.266 7.604 -0.338 18467 1872 1 3 . 1 1 78 78 ILE N N 577 120.961 120.961 120.926 0.035 18467 1873 1 3 . 1 1 78 78 ILE HA H 577 3.570 3.570 4.516 -0.946 18467 1874 1 3 . 1 1 78 78 ILE C C 577 174.815 174.815 175.548 -0.733 18467 1875 1 3 . 1 1 78 78 ILE CA C 577 62.347 62.347 61.397 0.950 18467 1876 1 3 . 1 1 78 78 ILE CB C 577 38.390 38.390 38.282 0.108 18467 1877 1 3 . 1 1 78 78 ILE H H 577 8.514 8.514 8.526 -0.012 18467 1878 1 3 . 1 1 79 79 LEU N N 578 132.660 132.660 131.009 1.651 18467 1879 1 3 . 1 1 79 79 LEU HA H 578 4.779 4.779 4.726 0.053 18467 1880 1 3 . 1 1 79 79 LEU C C 578 174.161 174.161 175.547 -1.386 18467 1881 1 3 . 1 1 79 79 LEU CA C 578 53.881 53.881 53.451 0.430 18467 1882 1 3 . 1 1 79 79 LEU CB C 578 44.088 44.088 43.278 0.810 18467 1883 1 3 . 1 1 79 79 LEU H H 578 7.973 7.973 8.974 -1.001 18467 1884 1 3 . 1 1 80 80 VAL N N 579 118.506 118.506 119.664 -1.158 18467 1885 1 3 . 1 1 80 80 VAL HA H 579 4.767 4.767 4.415 0.352 18467 1886 1 3 . 1 1 80 80 VAL C C 579 178.415 178.415 176.933 1.482 18467 1887 1 3 . 1 1 80 80 VAL CA C 579 59.505 59.505 61.000 -1.495 18467 1888 1 3 . 1 1 80 80 VAL CB C 579 33.491 33.491 33.073 0.418 18467 1889 1 3 . 1 1 80 80 VAL H H 579 7.968 7.968 8.047 -0.079 18467 1890 1 3 . 1 1 81 81 SER N N 580 121.910 121.910 117.648 4.262 18467 1891 1 3 . 1 1 81 81 SER HA H 580 3.828 3.828 4.273 -0.445 18467 1892 1 3 . 1 1 81 81 SER C C 580 177.014 177.014 176.508 0.506 18467 1893 1 3 . 1 1 81 81 SER CA C 580 62.856 62.856 61.633 1.223 18467 1894 1 3 . 1 1 81 81 SER CB C 580 62.118 62.118 62.957 -0.839 18467 1895 1 3 . 1 1 81 81 SER H H 580 11.091 11.091 9.285 1.806 18467 1896 1 3 . 1 1 82 82 GLY N N 581 107.507 107.507 107.645 -0.138 18467 1897 1 3 . 1 1 82 82 GLY C C 581 174.753 174.753 175.026 -0.273 18467 1898 1 3 . 1 1 82 82 GLY CA C 581 45.933 45.933 45.718 0.215 18467 1899 1 3 . 1 1 82 82 GLY H H 581 8.283 8.283 8.446 -0.163 18467 1900 1 3 . 1 1 83 83 GLY N N 582 107.844 107.844 107.870 -0.026 18467 1901 1 3 . 1 1 83 83 GLY C C 582 174.383 174.383 175.321 -0.938 18467 1902 1 3 . 1 1 83 83 GLY CA C 582 44.437 44.437 44.107 0.330 18467 1903 1 3 . 1 1 83 83 GLY H H 582 8.244 8.244 7.841 0.403 18467 1904 1 3 . 1 1 84 84 ILE N N 583 120.981 120.981 121.395 -0.414 18467 1905 1 3 . 1 1 84 84 ILE HA H 583 3.820 3.820 3.588 0.232 18467 1906 1 3 . 1 1 84 84 ILE C C 583 175.634 175.634 177.005 -1.371 18467 1907 1 3 . 1 1 84 84 ILE CA C 583 62.879 62.879 64.168 -1.289 18467 1908 1 3 . 1 1 84 84 ILE CB C 583 39.028 39.028 38.256 0.772 18467 1909 1 3 . 1 1 84 84 ILE H H 583 7.307 7.307 7.363 -0.056 18467 1910 1 3 . 1 1 85 85 GLY N N 584 112.078 112.078 106.874 5.204 18467 1911 1 3 . 1 1 85 85 GLY C C 584 173.113 173.113 173.808 -0.695 18467 1912 1 3 . 1 1 85 85 GLY CA C 584 45.639 45.639 46.884 -1.245 18467 1913 1 3 . 1 1 85 85 GLY H H 584 7.953 7.953 7.949 0.004 18467 1914 1 3 . 1 1 86 86 ALA N N 585 125.109 125.109 123.646 1.463 18467 1915 1 3 . 1 1 86 86 ALA HA H 585 4.312 4.312 4.876 -0.564 18467 1916 1 3 . 1 1 86 86 ALA C C 585 177.336 177.336 175.802 1.534 18467 1917 1 3 . 1 1 86 86 ALA CA C 585 54.080 54.080 52.056 2.024 18467 1918 1 3 . 1 1 86 86 ALA CB C 585 19.745 19.745 21.093 -1.348 18467 1919 1 3 . 1 1 86 86 ALA H H 585 8.295 8.295 7.906 0.389 18467 1920 1 3 . 1 1 87 87 LEU N N 586 118.488 118.488 119.845 -1.357 18467 1921 1 3 . 1 1 87 87 LEU HA H 586 4.716 4.716 5.362 -0.646 18467 1922 1 3 . 1 1 87 87 LEU C C 586 175.578 175.578 174.748 0.830 18467 1923 1 3 . 1 1 87 87 LEU CA C 586 56.100 56.100 54.634 1.466 18467 1924 1 3 . 1 1 87 87 LEU CB C 586 43.651 43.651 44.361 -0.710 18467 1925 1 3 . 1 1 87 87 LEU H H 586 7.801 7.801 7.656 0.145 18467 1926 1 3 . 1 1 88 88 VAL N N 587 127.976 127.976 125.750 2.226 18467 1927 1 3 . 1 1 88 88 VAL HA H 587 4.308 4.308 4.468 -0.160 18467 1928 1 3 . 1 1 88 88 VAL C C 587 174.142 174.142 174.440 -0.298 18467 1929 1 3 . 1 1 88 88 VAL CA C 587 61.428 61.428 60.660 0.769 18467 1930 1 3 . 1 1 88 88 VAL CB C 587 35.784 35.784 34.848 0.936 18467 1931 1 3 . 1 1 88 88 VAL H H 587 9.510 9.510 9.035 0.475 18467 1932 1 3 . 1 1 89 89 ARG N N 588 125.359 125.359 126.441 -1.082 18467 1933 1 3 . 1 1 89 89 ARG HA H 588 5.257 5.257 5.237 0.021 18467 1934 1 3 . 1 1 89 89 ARG C C 588 175.003 175.003 175.219 -0.216 18467 1935 1 3 . 1 1 89 89 ARG CA C 588 54.807 54.807 54.833 -0.026 18467 1936 1 3 . 1 1 89 89 ARG H H 588 8.622 8.622 8.384 0.238 18467 1937 1 3 . 1 1 90 90 LEU N N 589 127.862 127.862 125.030 2.832 18467 1938 1 3 . 1 1 90 90 LEU HA H 589 4.572 4.572 4.703 -0.131 18467 1939 1 3 . 1 1 90 90 LEU C C 589 174.955 174.955 175.161 -0.206 18467 1940 1 3 . 1 1 90 90 LEU CA C 589 53.115 53.115 53.590 -0.475 18467 1941 1 3 . 1 1 90 90 LEU CB C 589 46.021 46.021 46.448 -0.427 18467 1942 1 3 . 1 1 90 90 LEU H H 589 8.830 8.830 8.464 0.366 18467 1943 1 3 . 1 1 91 91 LYS N N 590 129.215 129.215 126.145 3.070 18467 1944 1 3 . 1 1 91 91 LYS HA H 590 4.062 4.062 4.623 -0.561 18467 1945 1 3 . 1 1 91 91 LYS C C 590 174.635 174.635 176.040 -1.405 18467 1946 1 3 . 1 1 91 91 LYS CA C 590 58.307 58.307 56.760 1.548 18467 1947 1 3 . 1 1 91 91 LYS CB C 590 32.514 32.514 33.949 -1.435 18467 1948 1 3 . 1 1 91 91 LYS H H 590 9.429 9.429 8.864 0.565 18467 1949 1 3 . 1 1 92 92 SER N N 591 121.512 121.512 117.710 3.802 18467 1950 1 3 . 1 1 92 92 SER HA H 591 5.581 5.581 5.319 0.262 18467 1951 1 3 . 1 1 92 92 SER C C 591 178.007 178.007 175.480 2.527 18467 1952 1 3 . 1 1 92 92 SER CA C 591 58.234 58.234 56.303 1.931 18467 1953 1 3 . 1 1 92 92 SER CB C 591 67.287 67.287 66.005 1.282 18467 1954 1 3 . 1 1 92 92 SER H H 591 7.995 7.995 8.959 -0.964 18467 1955 1 3 . 1 1 93 93 LEU N N 592 121.124 121.124 120.381 0.743 18467 1956 1 3 . 1 1 93 93 LEU HA H 592 4.300 4.300 4.330 -0.030 18467 1957 1 3 . 1 1 93 93 LEU C C 592 178.518 178.518 179.416 -0.898 18467 1958 1 3 . 1 1 93 93 LEU CA C 592 57.245 57.245 57.050 0.195 18467 1959 1 3 . 1 1 93 93 LEU CB C 592 41.313 41.313 42.053 -0.740 18467 1960 1 3 . 1 1 93 93 LEU H H 592 9.336 9.336 8.518 0.818 18467 1961 1 3 . 1 1 94 94 GLN N N 593 118.739 118.739 118.968 -0.229 18467 1962 1 3 . 1 1 94 94 GLN HA H 593 4.249 4.249 4.096 0.153 18467 1963 1 3 . 1 1 94 94 GLN C C 593 176.082 176.082 177.226 -1.144 18467 1964 1 3 . 1 1 94 94 GLN CA C 593 56.540 56.540 57.981 -1.441 18467 1965 1 3 . 1 1 94 94 GLN CB C 593 27.654 27.654 29.409 -1.755 18467 1966 1 3 . 1 1 94 94 GLN H H 593 7.491 7.491 7.808 -0.317 18467 1967 1 3 . 1 1 95 95 GLY N N 594 109.382 109.382 105.964 3.418 18467 1968 1 3 . 1 1 95 95 GLY C C 594 174.393 174.393 173.289 1.104 18467 1969 1 3 . 1 1 95 95 GLY CA C 594 45.457 45.457 44.590 0.867 18467 1970 1 3 . 1 1 95 95 GLY H H 594 7.631 7.631 7.900 -0.269 18467 1971 1 3 . 1 1 96 96 ASP N N 595 121.087 121.087 120.874 0.213 18467 1972 1 3 . 1 1 96 96 ASP HA H 595 4.863 4.863 5.060 -0.197 18467 1973 1 3 . 1 1 96 96 ASP C C 595 177.273 177.273 174.146 3.127 18467 1974 1 3 . 1 1 96 96 ASP CA C 595 54.520 54.520 52.124 2.396 18467 1975 1 3 . 1 1 96 96 ASP CB C 595 41.277 41.277 44.048 -2.771 18467 1976 1 3 . 1 1 96 96 ASP H H 595 8.650 8.650 7.763 0.887 18467 1977 1 3 . 1 1 97 97 LYS N N 596 119.713 119.713 118.985 0.728 18467 1978 1 3 . 1 1 97 97 LYS HA H 596 5.025 5.025 4.616 0.409 18467 1979 1 3 . 1 1 97 97 LYS C C 596 176.566 176.566 175.738 0.828 18467 1980 1 3 . 1 1 97 97 LYS CA C 596 56.274 56.274 55.314 0.960 18467 1981 1 3 . 1 1 97 97 LYS CB C 596 33.771 33.771 33.988 -0.217 18467 1982 1 3 . 1 1 97 97 LYS H H 596 9.028 9.028 8.312 0.716 18467 1983 1 3 . 1 1 98 98 LEU N N 597 125.754 125.754 124.773 0.981 18467 1984 1 3 . 1 1 98 98 LEU HA H 597 4.398 4.398 4.549 -0.151 18467 1985 1 3 . 1 1 98 98 LEU C C 597 176.144 176.144 176.479 -0.335 18467 1986 1 3 . 1 1 98 98 LEU CA C 597 53.899 53.899 54.025 -0.126 18467 1987 1 3 . 1 1 98 98 LEU CB C 597 45.148 45.148 42.293 2.855 18467 1988 1 3 . 1 1 98 98 LEU H H 597 9.336 9.336 9.155 0.181 18467 1989 1 3 . 1 1 99 99 GLU N N 598 121.101 121.101 126.247 -5.146 18467 1990 1 3 . 1 1 99 99 GLU HA H 598 4.662 4.662 4.336 0.326 18467 1991 1 3 . 1 1 99 99 GLU C C 598 175.132 175.132 175.237 -0.105 18467 1992 1 3 . 1 1 99 99 GLU CA C 598 55.714 55.714 55.275 0.439 18467 1993 1 3 . 1 1 99 99 GLU CB C 598 30.542 30.542 29.057 1.485 18467 1994 1 3 . 1 1 99 99 GLU H H 598 8.368 8.368 8.405 -0.037 18467 1995 1 3 . 1 1 100 100 VAL N N 599 130.595 130.595 128.073 2.522 18467 1996 1 3 . 1 1 100 100 VAL HA H 599 5.046 5.046 4.440 0.606 18467 1997 1 3 . 1 1 100 100 VAL C C 599 173.759 173.759 175.015 -1.256 18467 1998 1 3 . 1 1 100 100 VAL CA C 599 61.081 61.081 61.777 -0.696 18467 1999 1 3 . 1 1 100 100 VAL CB C 599 32.873 32.873 32.720 0.153 18467 2000 1 3 . 1 1 100 100 VAL H H 599 9.337 9.337 7.881 1.456 18467 2001 1 3 . 1 1 101 101 SER N N 600 119.887 119.887 121.259 -1.372 18467 2002 1 3 . 1 1 101 101 SER HA H 600 4.943 4.943 5.207 -0.264 18467 2003 1 3 . 1 1 101 101 SER C C 600 171.934 171.934 172.532 -0.598 18467 2004 1 3 . 1 1 101 101 SER CA C 600 56.540 56.540 55.906 0.635 18467 2005 1 3 . 1 1 101 101 SER CB C 600 67.405 67.405 65.856 1.549 18467 2006 1 3 . 1 1 101 101 SER H H 600 9.033 9.033 8.866 0.167 18467 2007 1 3 . 1 1 102 102 LEU N N 601 123.007 123.007 125.005 -1.998 18467 2008 1 3 . 1 1 102 102 LEU HA H 601 5.047 5.047 5.236 -0.189 18467 2009 1 3 . 1 1 102 102 LEU C C 601 175.767 175.767 174.575 1.192 18467 2010 1 3 . 1 1 102 102 LEU CA C 601 54.324 54.324 54.872 -0.548 18467 2011 1 3 . 1 1 102 102 LEU CB C 601 45.374 45.374 45.814 -0.440 18467 2012 1 3 . 1 1 102 102 LEU H H 601 7.930 7.930 9.010 -1.080 18467 2013 1 3 . 1 1 103 103 LYS N N 602 126.480 126.480 128.392 -1.912 18467 2014 1 3 . 1 1 103 103 LYS HA H 602 4.457 4.457 4.664 -0.207 18467 2015 1 3 . 1 1 103 103 LYS CA C 602 55.707 55.707 55.664 0.043 18467 2016 1 3 . 1 1 103 103 LYS CB C 602 35.032 35.032 33.886 1.145 18467 2017 1 3 . 1 1 103 103 LYS H H 602 8.335 8.335 8.919 -0.584 18467 2018 1 3 . 1 1 104 104 ASN HA H 603 4.296 4.296 4.455 -0.159 18467 2019 1 3 . 1 1 104 104 ASN C C 603 174.156 174.156 174.946 -0.790 18467 2020 1 3 . 1 1 104 104 ASN CA C 603 54.724 54.724 53.776 0.948 18467 2021 1 3 . 1 1 104 104 ASN CB C 603 37.168 37.168 37.134 0.034 18467 2022 1 3 . 1 1 105 105 ASN N N 604 108.763 108.763 111.697 -2.934 18467 2023 1 3 . 1 1 105 105 ASN HA H 604 4.167 4.167 4.278 -0.111 18467 2024 1 3 . 1 1 105 105 ASN C C 604 173.754 173.754 173.523 0.231 18467 2025 1 3 . 1 1 105 105 ASN CA C 604 55.146 55.146 54.859 0.287 18467 2026 1 3 . 1 1 105 105 ASN CB C 604 38.249 38.249 38.262 -0.013 18467 2027 1 3 . 1 1 105 105 ASN H H 604 8.682 8.682 8.672 0.010 18467 2028 1 3 . 1 1 106 106 VAL N N 605 121.612 121.612 119.226 2.386 18467 2029 1 3 . 1 1 106 106 VAL HA H 605 4.285 4.285 4.325 -0.040 18467 2030 1 3 . 1 1 106 106 VAL C C 605 176.332 176.332 174.138 2.194 18467 2031 1 3 . 1 1 106 106 VAL CA C 605 62.112 62.112 60.757 1.355 18467 2032 1 3 . 1 1 106 106 VAL CB C 605 34.425 34.425 34.361 0.064 18467 2033 1 3 . 1 1 106 106 VAL H H 605 7.906 7.906 7.130 0.776 18467 2034 1 3 . 1 1 107 107 VAL N N 606 133.233 133.233 130.439 2.794 18467 2035 1 3 . 1 1 107 107 VAL HA H 606 4.615 4.615 4.950 -0.335 18467 2036 1 3 . 1 1 107 107 VAL C C 606 174.697 174.697 175.622 -0.925 18467 2037 1 3 . 1 1 107 107 VAL CA C 606 61.712 61.712 61.413 0.299 18467 2038 1 3 . 1 1 107 107 VAL CB C 606 32.254 32.254 33.091 -0.837 18467 2039 1 3 . 1 1 107 107 VAL H H 606 9.422 9.422 8.304 1.118 18467 2040 1 3 . 1 1 108 108 SER N N 607 120.829 120.829 123.113 -2.284 18467 2041 1 3 . 1 1 108 108 SER HA H 607 5.360 5.360 5.087 0.273 18467 2042 1 3 . 1 1 108 108 SER C C 607 171.938 171.938 173.258 -1.320 18467 2043 1 3 . 1 1 108 108 SER CA C 607 57.031 57.031 57.445 -0.414 18467 2044 1 3 . 1 1 108 108 SER CB C 607 66.490 66.490 63.812 2.678 18467 2045 1 3 . 1 1 108 108 SER H H 607 9.113 9.113 9.167 -0.054 18467 2046 1 3 . 1 1 109 109 VAL N N 608 121.130 121.130 126.113 -4.983 18467 2047 1 3 . 1 1 109 109 VAL HA H 608 4.797 4.797 4.523 0.274 18467 2048 1 3 . 1 1 109 109 VAL C C 608 173.930 173.930 174.715 -0.785 18467 2049 1 3 . 1 1 109 109 VAL CA C 608 57.351 57.351 59.603 -2.252 18467 2050 1 3 . 1 1 109 109 VAL CB C 608 33.964 33.964 32.769 1.195 18467 2051 1 3 . 1 1 109 109 VAL H H 608 9.120 9.120 8.953 0.167 18467 2052 1 3 . 1 1 110 110 ASN N N 609 128.284 128.284 127.377 0.907 18467 2053 1 3 . 1 1 110 110 ASN HA H 609 4.271 4.271 4.347 -0.076 18467 2054 1 3 . 1 1 110 110 ASN C C 609 175.369 175.369 174.733 0.636 18467 2055 1 3 . 1 1 110 110 ASN CA C 609 54.004 54.004 54.552 -0.548 18467 2056 1 3 . 1 1 110 110 ASN CB C 609 35.927 35.927 36.262 -0.335 18467 2057 1 3 . 1 1 110 110 ASN H H 609 9.777 9.777 8.956 0.821 18467 2058 1 3 . 1 1 111 111 LYS N N 610 107.711 107.711 109.789 -2.078 18467 2059 1 3 . 1 1 111 111 LYS HA H 610 3.660 3.660 3.909 -0.249 18467 2060 1 3 . 1 1 111 111 LYS C C 610 175.573 175.573 175.858 -0.285 18467 2061 1 3 . 1 1 111 111 LYS CA C 610 58.404 58.404 58.457 -0.053 18467 2062 1 3 . 1 1 111 111 LYS CB C 610 30.549 30.549 31.413 -0.864 18467 2063 1 3 . 1 1 111 111 LYS H H 610 8.290 8.290 8.412 -0.122 18467 2064 1 3 . 1 1 112 112 GLU N N 611 125.822 125.822 120.589 5.233 18467 2065 1 3 . 1 1 112 112 GLU HA H 611 4.763 4.763 4.741 0.022 18467 2066 1 3 . 1 1 112 112 GLU CA C 611 52.981 52.981 53.181 -0.200 18467 2067 1 3 . 1 1 112 112 GLU CB C 611 29.509 29.509 29.581 -0.072 18467 2068 1 3 . 1 1 112 112 GLU H H 611 8.595 8.595 7.581 1.014 18467 2069 1 3 . 1 1 113 113 PRO HA H 612 4.682 4.682 5.077 -0.395 18467 2070 1 3 . 1 1 113 113 PRO C C 612 177.310 177.310 176.254 1.056 18467 2071 1 3 . 1 1 113 113 PRO CA C 612 62.649 62.649 62.306 0.343 18467 2072 1 3 . 1 1 113 113 PRO CB C 612 32.139 32.139 32.007 0.133 18467 2073 1 3 . 1 1 114 114 VAL N N 613 124.773 124.773 123.992 0.781 18467 2074 1 3 . 1 1 114 114 VAL HA H 613 4.274 4.274 4.123 0.151 18467 2075 1 3 . 1 1 114 114 VAL C C 613 176.558 176.558 176.527 0.031 18467 2076 1 3 . 1 1 114 114 VAL CA C 613 62.350 62.350 62.020 0.329 18467 2077 1 3 . 1 1 114 114 VAL CB C 613 32.473 32.473 32.138 0.335 18467 2078 1 3 . 1 1 114 114 VAL H H 613 9.214 9.214 8.536 0.678 18467 2079 1 3 . 1 1 115 115 ALA N N 614 132.583 132.583 132.363 0.220 18467 2080 1 3 . 1 1 115 115 ALA HA H 614 4.321 4.321 4.289 0.032 18467 2081 1 3 . 1 1 115 115 ALA C C 614 178.354 178.354 177.531 0.823 18467 2082 1 3 . 1 1 115 115 ALA CA C 614 53.995 53.995 54.357 -0.362 18467 2083 1 3 . 1 1 115 115 ALA CB C 614 19.616 19.616 19.682 -0.066 18467 2084 1 3 . 1 1 115 115 ALA H H 614 8.935 8.935 9.030 -0.095 18467 2085 1 3 . 1 1 116 116 GLU N N 615 115.172 115.172 117.661 -2.489 18467 2086 1 3 . 1 1 116 116 GLU HA H 615 4.866 4.866 4.850 0.016 18467 2087 1 3 . 1 1 116 116 GLU CA C 615 53.432 53.432 53.209 0.223 18467 2088 1 3 . 1 1 116 116 GLU CB C 615 31.554 31.554 31.158 0.396 18467 2089 1 3 . 1 1 116 116 GLU H H 615 6.867 6.867 7.733 -0.866 18467 2090 1 3 . 1 1 117 117 PRO HA H 616 5.651 5.651 4.639 1.012 18467 2091 1 3 . 1 1 117 117 PRO C C 616 177.099 177.099 176.876 0.223 18467 2092 1 3 . 1 1 117 117 PRO CA C 616 61.960 61.960 63.072 -1.112 18467 2093 1 3 . 1 1 117 117 PRO CB C 616 33.618 33.618 32.526 1.092 18467 2094 1 3 . 1 1 118 118 ASP N N 617 114.290 114.290 118.052 -3.762 18467 2095 1 3 . 1 1 118 118 ASP HA H 617 3.881 3.881 4.166 -0.285 18467 2096 1 3 . 1 1 118 118 ASP C C 617 174.967 174.967 176.377 -1.410 18467 2097 1 3 . 1 1 118 118 ASP CA C 617 54.921 54.921 55.115 -0.194 18467 2098 1 3 . 1 1 118 118 ASP CB C 617 37.857 37.857 40.539 -2.682 18467 2099 1 3 . 1 1 118 118 ASP H H 617 9.727 9.727 7.924 1.803 18467 2100 1 3 . 1 1 119 119 ILE N N 618 121.048 121.048 120.241 0.807 18467 2101 1 3 . 1 1 119 119 ILE HA H 618 4.037 4.037 4.170 -0.133 18467 2102 1 3 . 1 1 119 119 ILE C C 618 175.869 175.869 175.346 0.523 18467 2103 1 3 . 1 1 119 119 ILE CA C 618 62.807 62.807 60.366 2.441 18467 2104 1 3 . 1 1 119 119 ILE CB C 618 36.618 36.618 37.520 -0.902 18467 2105 1 3 . 1 1 119 119 ILE H H 618 8.750 8.750 8.364 0.386 18467 2106 1 3 . 1 1 120 120 MET N N 619 125.674 125.674 126.760 -1.086 18467 2107 1 3 . 1 1 120 120 MET HA H 619 4.601 4.601 4.486 0.115 18467 2108 1 3 . 1 1 120 120 MET C C 619 174.817 174.817 175.677 -0.860 18467 2109 1 3 . 1 1 120 120 MET CA C 619 54.936 54.936 55.828 -0.892 18467 2110 1 3 . 1 1 120 120 MET CB C 619 31.313 31.313 33.266 -1.953 18467 2111 1 3 . 1 1 120 120 MET H H 619 8.080 8.080 8.418 -0.338 18467 2112 1 3 . 1 1 121 121 ALA N N 620 122.849 122.849 127.146 -4.297 18467 2113 1 3 . 1 1 121 121 ALA HA H 620 4.902 4.902 4.850 0.052 18467 2114 1 3 . 1 1 121 121 ALA C C 620 177.908 177.908 178.718 -0.810 18467 2115 1 3 . 1 1 121 121 ALA CA C 620 49.986 49.986 50.125 -0.139 18467 2116 1 3 . 1 1 121 121 ALA CB C 620 23.115 23.115 21.108 2.007 18467 2117 1 3 . 1 1 121 121 ALA H H 620 8.377 8.377 8.496 -0.119 18467 2118 1 3 . 1 1 122 122 THR N N 621 111.104 111.104 110.880 0.224 18467 2119 1 3 . 1 1 122 122 THR HA H 621 4.051 4.051 4.175 -0.124 18467 2120 1 3 . 1 1 122 122 THR C C 621 176.320 176.320 175.313 1.007 18467 2121 1 3 . 1 1 122 122 THR CA C 621 64.524 64.524 64.927 -0.403 18467 2122 1 3 . 1 1 122 122 THR CB C 621 68.391 68.391 69.024 -0.633 18467 2123 1 3 . 1 1 122 122 THR H H 621 9.183 9.183 8.419 0.764 18467 2124 1 3 . 1 1 123 123 ASN N N 622 117.445 117.445 117.484 -0.039 18467 2125 1 3 . 1 1 123 123 ASN HA H 622 5.030 5.030 4.844 0.186 18467 2126 1 3 . 1 1 123 123 ASN C C 622 173.263 173.263 174.199 -0.936 18467 2127 1 3 . 1 1 123 123 ASN CA C 622 51.203 51.203 52.087 -0.884 18467 2128 1 3 . 1 1 123 123 ASN CB C 622 37.076 37.076 38.763 -1.687 18467 2129 1 3 . 1 1 123 123 ASN H H 622 7.969 7.969 8.153 -0.184 18467 2130 1 3 . 1 1 124 124 GLY N N 623 102.705 102.705 106.719 -4.014 18467 2131 1 3 . 1 1 124 124 GLY C C 623 169.925 169.925 171.720 -1.795 18467 2132 1 3 . 1 1 124 124 GLY CA C 623 46.709 46.709 45.380 1.329 18467 2133 1 3 . 1 1 124 124 GLY H H 623 6.921 6.921 7.214 -0.293 18467 2134 1 3 . 1 1 125 125 VAL N N 624 119.913 119.913 119.274 0.639 18467 2135 1 3 . 1 1 125 125 VAL HA H 624 4.877 4.877 4.507 0.370 18467 2136 1 3 . 1 1 125 125 VAL C C 624 170.887 170.887 173.201 -2.314 18467 2137 1 3 . 1 1 125 125 VAL CA C 624 58.527 58.527 59.416 -0.889 18467 2138 1 3 . 1 1 125 125 VAL CB C 624 34.967 34.967 35.437 -0.470 18467 2139 1 3 . 1 1 125 125 VAL H H 624 8.485 8.485 8.338 0.147 18467 2140 1 3 . 1 1 126 126 VAL N N 625 127.599 127.599 126.499 1.100 18467 2141 1 3 . 1 1 126 126 VAL HA H 625 4.619 4.619 4.905 -0.286 18467 2142 1 3 . 1 1 126 126 VAL C C 625 172.882 172.882 174.434 -1.552 18467 2143 1 3 . 1 1 126 126 VAL CA C 625 60.534 60.534 59.843 0.691 18467 2144 1 3 . 1 1 126 126 VAL CB C 625 34.184 34.184 34.639 -0.455 18467 2145 1 3 . 1 1 126 126 VAL H H 625 9.106 9.106 8.818 0.288 18467 2146 1 3 . 1 1 127 127 HIS N N 626 124.292 124.292 124.311 -0.019 18467 2147 1 3 . 1 1 127 127 HIS HA H 626 5.494 5.494 4.892 0.602 18467 2148 1 3 . 1 1 127 127 HIS C C 626 175.629 175.629 174.453 1.176 18467 2149 1 3 . 1 1 127 127 HIS CA C 626 53.247 53.247 54.353 -1.106 18467 2150 1 3 . 1 1 127 127 HIS CB C 626 34.369 34.369 32.720 1.649 18467 2151 1 3 . 1 1 127 127 HIS H H 626 8.754 8.754 8.744 0.010 18467 2152 1 3 . 1 1 128 128 VAL N N 627 124.493 124.493 126.541 -2.048 18467 2153 1 3 . 1 1 128 128 VAL HA H 627 4.512 4.512 4.562 -0.050 18467 2154 1 3 . 1 1 128 128 VAL C C 627 176.349 176.349 175.632 0.717 18467 2155 1 3 . 1 1 128 128 VAL CA C 627 64.730 64.730 63.576 1.154 18467 2156 1 3 . 1 1 128 128 VAL CB C 627 32.980 32.980 31.214 1.766 18467 2157 1 3 . 1 1 128 128 VAL H H 627 8.812 8.812 8.350 0.462 18467 2158 1 3 . 1 1 129 129 ILE N N 628 121.077 121.077 121.973 -0.896 18467 2159 1 3 . 1 1 129 129 ILE HA H 628 5.118 5.118 4.859 0.259 18467 2160 1 3 . 1 1 129 129 ILE C C 628 175.190 175.190 176.221 -1.031 18467 2161 1 3 . 1 1 129 129 ILE CA C 628 60.217 60.217 59.628 0.589 18467 2162 1 3 . 1 1 129 129 ILE CB C 628 42.539 42.539 40.761 1.778 18467 2163 1 3 . 1 1 129 129 ILE H H 628 8.629 8.629 9.136 -0.507 18467 2164 1 3 . 1 1 130 130 THR N N 629 108.406 108.406 112.898 -4.492 18467 2165 1 3 . 1 1 130 130 THR HA H 629 4.671 4.671 4.476 0.195 18467 2166 1 3 . 1 1 130 130 THR C C 629 172.980 172.980 174.386 -1.406 18467 2167 1 3 . 1 1 130 130 THR CA C 629 61.381 61.381 61.965 -0.584 18467 2168 1 3 . 1 1 130 130 THR CB C 629 68.784 68.784 69.520 -0.736 18467 2169 1 3 . 1 1 130 130 THR H H 629 9.368 9.368 8.573 0.795 18467 2170 1 3 . 1 1 131 131 ASN N N 630 117.533 117.533 117.955 -0.422 18467 2171 1 3 . 1 1 131 131 ASN HA H 630 4.754 4.754 5.006 -0.252 18467 2172 1 3 . 1 1 131 131 ASN C C 630 172.493 172.493 174.305 -1.812 18467 2173 1 3 . 1 1 131 131 ASN CA C 630 52.575 52.575 52.383 0.192 18467 2174 1 3 . 1 1 131 131 ASN CB C 630 43.079 43.079 41.694 1.385 18467 2175 1 3 . 1 1 131 131 ASN H H 630 7.355 7.355 7.757 -0.402 18467 2176 1 3 . 1 1 132 132 VAL N N 631 117.886 117.886 120.993 -3.107 18467 2177 1 3 . 1 1 132 132 VAL HA H 631 3.914 3.914 4.207 -0.293 18467 2178 1 3 . 1 1 132 132 VAL C C 631 176.909 176.909 175.822 1.087 18467 2179 1 3 . 1 1 132 132 VAL CA C 631 62.424 62.424 62.298 0.126 18467 2180 1 3 . 1 1 132 132 VAL CB C 631 32.453 32.453 33.179 -0.726 18467 2181 1 3 . 1 1 132 132 VAL H H 631 8.087 8.087 8.589 -0.502 18467 2182 1 3 . 1 1 133 133 LEU N N 632 130.948 130.948 124.258 6.690 18467 2183 1 3 . 1 1 133 133 LEU HA H 632 4.220 4.220 4.405 -0.185 18467 2184 1 3 . 1 1 133 133 LEU CA C 632 55.468 55.468 54.346 1.122 18467 2185 1 3 . 1 1 133 133 LEU H H 632 10.937 10.937 8.138 2.799 18467 2186 1 3 . 1 1 134 134 GLN N N 633 118.157 118.157 124.484 -6.327 18467 2187 1 3 . 1 1 134 134 GLN HA H 633 4.361 4.361 4.540 -0.179 18467 2188 1 3 . 1 1 134 134 GLN CA C 633 55.043 55.043 54.682 0.361 18467 2189 1 3 . 1 1 134 134 GLN CB C 633 31.449 31.449 32.601 -1.152 18467 2190 1 3 . 1 1 134 134 GLN H H 633 7.992 7.992 8.435 -0.443 18467 2191 1 4 . 1 1 3 3 MET C C 502 175.861 175.861 175.157 0.704 18467 2192 1 4 . 1 1 3 3 MET CA C 502 55.905 55.905 54.696 1.209 18467 2193 1 4 . 1 1 3 3 MET CB C 502 34.158 34.158 34.651 -0.493 18467 2194 1 4 . 1 1 4 4 GLY N N 503 111.094 111.094 111.363 -0.269 18467 2195 1 4 . 1 1 4 4 GLY C C 503 173.998 173.998 173.554 0.444 18467 2196 1 4 . 1 1 4 4 GLY CA C 503 44.482 44.482 44.799 -0.317 18467 2197 1 4 . 1 1 4 4 GLY H H 503 8.376 8.376 8.705 -0.329 18467 2198 1 4 . 1 1 5 5 THR N N 504 111.539 111.539 113.654 -2.115 18467 2199 1 4 . 1 1 5 5 THR HA H 504 4.440 4.440 4.750 -0.310 18467 2200 1 4 . 1 1 5 5 THR C C 504 176.360 176.360 176.453 -0.093 18467 2201 1 4 . 1 1 5 5 THR CA C 504 61.986 61.986 59.919 2.067 18467 2202 1 4 . 1 1 5 5 THR CB C 504 73.034 73.034 71.447 1.587 18467 2203 1 4 . 1 1 5 5 THR H H 504 9.233 9.233 7.887 1.346 18467 2204 1 4 . 1 1 6 6 VAL N N 505 118.212 118.212 120.798 -2.586 18467 2205 1 4 . 1 1 6 6 VAL HA H 505 3.250 3.250 3.629 -0.379 18467 2206 1 4 . 1 1 6 6 VAL C C 505 177.264 177.264 178.055 -0.791 18467 2207 1 4 . 1 1 6 6 VAL CA C 505 67.200 67.200 67.131 0.069 18467 2208 1 4 . 1 1 6 6 VAL CB C 505 31.657 31.657 30.893 0.764 18467 2209 1 4 . 1 1 6 6 VAL H H 505 9.918 9.918 9.331 0.587 18467 2210 1 4 . 1 1 7 7 MET N N 506 114.107 114.107 117.990 -3.883 18467 2211 1 4 . 1 1 7 7 MET HA H 506 4.361 4.361 4.120 0.241 18467 2212 1 4 . 1 1 7 7 MET C C 506 178.097 178.097 177.918 0.179 18467 2213 1 4 . 1 1 7 7 MET CA C 506 56.075 56.075 58.178 -2.103 18467 2214 1 4 . 1 1 7 7 MET CB C 506 30.910 30.910 31.918 -1.008 18467 2215 1 4 . 1 1 7 7 MET H H 506 6.975 6.975 7.686 -0.711 18467 2216 1 4 . 1 1 8 8 ASP N N 507 120.374 120.374 119.982 0.392 18467 2217 1 4 . 1 1 8 8 ASP HA H 507 4.255 4.255 4.412 -0.157 18467 2218 1 4 . 1 1 8 8 ASP C C 507 179.824 179.824 178.596 1.228 18467 2219 1 4 . 1 1 8 8 ASP CA C 507 58.088 58.088 57.679 0.409 18467 2220 1 4 . 1 1 8 8 ASP CB C 507 40.526 40.526 41.155 -0.629 18467 2221 1 4 . 1 1 8 8 ASP H H 507 7.430 7.430 7.665 -0.235 18467 2222 1 4 . 1 1 9 9 VAL N N 508 121.326 121.326 119.849 1.477 18467 2223 1 4 . 1 1 9 9 VAL HA H 508 3.567 3.567 3.701 -0.134 18467 2224 1 4 . 1 1 9 9 VAL C C 508 179.115 179.115 178.417 0.698 18467 2225 1 4 . 1 1 9 9 VAL CA C 508 66.131 66.131 66.532 -0.401 18467 2226 1 4 . 1 1 9 9 VAL CB C 508 31.666 31.666 31.248 0.418 18467 2227 1 4 . 1 1 9 9 VAL H H 508 8.174 8.174 8.172 0.002 18467 2228 1 4 . 1 1 10 10 LEU N N 509 117.258 117.258 119.087 -1.829 18467 2229 1 4 . 1 1 10 10 LEU HA H 509 4.039 4.039 4.389 -0.350 18467 2230 1 4 . 1 1 10 10 LEU C C 509 179.091 179.091 179.548 -0.457 18467 2231 1 4 . 1 1 10 10 LEU CA C 509 57.372 57.372 58.243 -0.871 18467 2232 1 4 . 1 1 10 10 LEU CB C 509 41.839 41.839 41.128 0.711 18467 2233 1 4 . 1 1 10 10 LEU H H 509 7.896 7.896 7.923 -0.027 18467 2234 1 4 . 1 1 11 11 LYS N N 510 114.824 114.824 119.123 -4.299 18467 2235 1 4 . 1 1 11 11 LYS HA H 510 3.959 3.959 4.141 -0.182 18467 2236 1 4 . 1 1 11 11 LYS C C 510 178.021 178.021 178.015 0.006 18467 2237 1 4 . 1 1 11 11 LYS CA C 510 59.047 59.047 58.764 0.283 18467 2238 1 4 . 1 1 11 11 LYS CB C 510 32.771 32.771 32.391 0.380 18467 2239 1 4 . 1 1 11 11 LYS H H 510 8.377 8.377 7.805 0.572 18467 2240 1 4 . 1 1 12 12 GLY N N 511 104.574 104.574 107.039 -2.465 18467 2241 1 4 . 1 1 12 12 GLY C C 511 172.564 172.564 173.548 -0.984 18467 2242 1 4 . 1 1 12 12 GLY CA C 511 45.442 45.442 44.480 0.962 18467 2243 1 4 . 1 1 12 12 GLY H H 511 7.590 7.590 7.762 -0.172 18467 2244 1 4 . 1 1 13 13 ASP N N 512 120.194 120.194 120.150 0.044 18467 2245 1 4 . 1 1 13 13 ASP HA H 512 4.992 4.992 4.774 0.218 18467 2246 1 4 . 1 1 13 13 ASP CA C 512 52.469 52.469 52.745 -0.276 18467 2247 1 4 . 1 1 13 13 ASP CB C 512 43.985 43.985 43.187 0.798 18467 2248 1 4 . 1 1 13 13 ASP H H 512 7.074 7.074 7.569 -0.495 18467 2249 1 4 . 1 1 14 14 ASN HA H 513 4.447 4.447 4.587 -0.140 18467 2250 1 4 . 1 1 14 14 ASN C C 513 176.709 176.709 176.117 0.592 18467 2251 1 4 . 1 1 14 14 ASN CA C 513 55.819 55.819 55.155 0.664 18467 2252 1 4 . 1 1 14 14 ASN CB C 513 38.100 38.100 38.892 -0.792 18467 2253 1 4 . 1 1 15 15 ARG N N 514 118.980 118.980 118.155 0.825 18467 2254 1 4 . 1 1 15 15 ARG HA H 514 4.139 4.139 4.164 -0.025 18467 2255 1 4 . 1 1 15 15 ARG C C 514 176.109 176.109 177.084 -0.975 18467 2256 1 4 . 1 1 15 15 ARG CA C 514 58.061 58.061 58.347 -0.286 18467 2257 1 4 . 1 1 15 15 ARG CB C 514 30.691 30.691 30.348 0.343 18467 2258 1 4 . 1 1 15 15 ARG H H 514 8.573 8.573 8.563 0.010 18467 2259 1 4 . 1 1 16 16 PHE N N 515 113.150 113.150 117.053 -3.903 18467 2260 1 4 . 1 1 16 16 PHE HA H 515 5.793 5.793 5.105 0.688 18467 2261 1 4 . 1 1 16 16 PHE C C 515 176.420 176.420 177.081 -0.661 18467 2262 1 4 . 1 1 16 16 PHE CA C 515 55.966 55.966 55.337 0.629 18467 2263 1 4 . 1 1 16 16 PHE CB C 515 38.644 38.644 38.315 0.329 18467 2264 1 4 . 1 1 16 16 PHE H H 515 7.592 7.592 7.462 0.130 18467 2265 1 4 . 1 1 17 17 SER N N 516 116.649 116.649 117.927 -1.278 18467 2266 1 4 . 1 1 17 17 SER HA H 516 4.062 4.062 4.205 -0.143 18467 2267 1 4 . 1 1 17 17 SER C C 516 178.631 178.631 176.552 2.079 18467 2268 1 4 . 1 1 17 17 SER CA C 516 62.695 62.695 61.684 1.010 18467 2269 1 4 . 1 1 17 17 SER CB C 516 62.147 62.147 63.127 -0.980 18467 2270 1 4 . 1 1 17 17 SER H H 516 7.527 7.527 7.884 -0.357 18467 2271 1 4 . 1 1 18 18 MET N N 517 124.591 124.591 121.173 3.418 18467 2272 1 4 . 1 1 18 18 MET HA H 517 4.122 4.122 4.375 -0.253 18467 2273 1 4 . 1 1 18 18 MET C C 517 177.503 177.503 177.736 -0.233 18467 2274 1 4 . 1 1 18 18 MET CA C 517 59.707 59.707 56.985 2.722 18467 2275 1 4 . 1 1 18 18 MET CB C 517 32.304 32.304 31.579 0.725 18467 2276 1 4 . 1 1 18 18 MET H H 517 9.271 9.271 8.262 1.009 18467 2277 1 4 . 1 1 19 19 LEU N N 518 123.039 123.039 120.835 2.204 18467 2278 1 4 . 1 1 19 19 LEU HA H 518 3.893 3.893 4.015 -0.122 18467 2279 1 4 . 1 1 19 19 LEU C C 518 178.414 178.414 178.059 0.355 18467 2280 1 4 . 1 1 19 19 LEU CA C 518 58.118 58.118 58.028 0.090 18467 2281 1 4 . 1 1 19 19 LEU CB C 518 41.221 41.221 41.808 -0.587 18467 2282 1 4 . 1 1 19 19 LEU H H 518 8.587 8.587 8.009 0.578 18467 2283 1 4 . 1 1 20 20 VAL N N 519 118.518 118.518 118.702 -0.184 18467 2284 1 4 . 1 1 20 20 VAL HA H 519 3.322 3.322 3.528 -0.206 18467 2285 1 4 . 1 1 20 20 VAL C C 519 178.032 178.032 177.930 0.102 18467 2286 1 4 . 1 1 20 20 VAL CA C 519 67.874 67.874 66.749 1.125 18467 2287 1 4 . 1 1 20 20 VAL CB C 519 31.600 31.600 31.196 0.404 18467 2288 1 4 . 1 1 20 20 VAL H H 519 9.070 9.070 8.097 0.973 18467 2289 1 4 . 1 1 21 21 ALA N N 520 122.534 122.534 121.251 1.283 18467 2290 1 4 . 1 1 21 21 ALA HA H 520 4.165 4.165 3.871 0.294 18467 2291 1 4 . 1 1 21 21 ALA C C 520 180.604 180.604 178.878 1.726 18467 2292 1 4 . 1 1 21 21 ALA CA C 520 55.125 55.125 54.955 0.170 18467 2293 1 4 . 1 1 21 21 ALA CB C 520 17.702 17.702 18.061 -0.359 18467 2294 1 4 . 1 1 21 21 ALA H H 520 7.594 7.594 7.536 0.058 18467 2295 1 4 . 1 1 22 22 ALA N N 521 123.185 123.185 122.205 0.980 18467 2296 1 4 . 1 1 22 22 ALA HA H 521 3.945 3.945 3.995 -0.050 18467 2297 1 4 . 1 1 22 22 ALA C C 521 178.468 178.468 179.483 -1.015 18467 2298 1 4 . 1 1 22 22 ALA CA C 521 54.905 54.905 54.649 0.256 18467 2299 1 4 . 1 1 22 22 ALA CB C 521 17.956 17.956 18.526 -0.571 18467 2300 1 4 . 1 1 22 22 ALA H H 521 8.549 8.549 7.628 0.921 18467 2301 1 4 . 1 1 23 23 ILE N N 522 120.269 120.269 118.867 1.402 18467 2302 1 4 . 1 1 23 23 ILE HA H 522 3.275 3.275 3.437 -0.162 18467 2303 1 4 . 1 1 23 23 ILE C C 522 178.024 178.024 177.664 0.360 18467 2304 1 4 . 1 1 23 23 ILE CA C 522 66.015 66.015 65.373 0.642 18467 2305 1 4 . 1 1 23 23 ILE CB C 522 38.407 38.407 37.460 0.947 18467 2306 1 4 . 1 1 23 23 ILE H H 522 8.963 8.963 8.311 0.652 18467 2307 1 4 . 1 1 24 24 GLN N N 523 118.677 118.677 120.566 -1.889 18467 2308 1 4 . 1 1 24 24 GLN HA H 523 4.169 4.169 4.037 0.132 18467 2309 1 4 . 1 1 24 24 GLN C C 523 180.200 180.200 179.371 0.829 18467 2310 1 4 . 1 1 24 24 GLN CA C 523 58.567 58.567 58.829 -0.262 18467 2311 1 4 . 1 1 24 24 GLN CB C 523 27.611 27.611 28.244 -0.633 18467 2312 1 4 . 1 1 24 24 GLN H H 523 7.976 7.976 8.570 -0.594 18467 2313 1 4 . 1 1 25 25 SER N N 524 117.810 117.810 116.011 1.799 18467 2314 1 4 . 1 1 25 25 SER C C 524 175.679 175.679 175.560 0.119 18467 2315 1 4 . 1 1 25 25 SER CA C 524 62.046 62.046 61.136 0.910 18467 2316 1 4 . 1 1 25 25 SER CB C 524 63.015 63.015 62.836 0.179 18467 2317 1 4 . 1 1 25 25 SER H H 524 8.311 8.311 8.201 0.110 18467 2318 1 4 . 1 1 26 26 ALA N N 525 119.017 119.017 119.731 -0.714 18467 2319 1 4 . 1 1 26 26 ALA HA H 525 4.307 4.307 4.405 -0.098 18467 2320 1 4 . 1 1 26 26 ALA C C 525 176.838 176.838 178.298 -1.460 18467 2321 1 4 . 1 1 26 26 ALA CA C 525 52.205 52.205 52.411 -0.206 18467 2322 1 4 . 1 1 26 26 ALA CB C 525 19.912 19.912 18.932 0.980 18467 2323 1 4 . 1 1 26 26 ALA H H 525 8.322 8.322 7.437 0.885 18467 2324 1 4 . 1 1 27 27 GLY N N 526 105.650 105.650 106.578 -0.928 18467 2325 1 4 . 1 1 27 27 GLY C C 526 176.606 176.606 175.580 1.026 18467 2326 1 4 . 1 1 27 27 GLY CA C 526 46.361 46.361 45.701 0.660 18467 2327 1 4 . 1 1 27 27 GLY H H 526 7.749 7.749 7.994 -0.245 18467 2328 1 4 . 1 1 28 28 LEU N N 527 118.441 118.441 119.664 -1.223 18467 2329 1 4 . 1 1 28 28 LEU HA H 527 4.452 4.452 4.303 0.149 18467 2330 1 4 . 1 1 28 28 LEU C C 527 175.786 175.786 177.629 -1.843 18467 2331 1 4 . 1 1 28 28 LEU CA C 527 54.774 54.774 54.654 0.120 18467 2332 1 4 . 1 1 28 28 LEU CB C 527 45.162 45.162 40.673 4.489 18467 2333 1 4 . 1 1 28 28 LEU H H 527 8.100 8.100 7.710 0.390 18467 2334 1 4 . 1 1 29 29 THR N N 528 117.975 117.975 116.596 1.379 18467 2335 1 4 . 1 1 29 29 THR HA H 528 3.539 3.539 3.866 -0.327 18467 2336 1 4 . 1 1 29 29 THR C C 528 175.468 175.468 176.146 -0.678 18467 2337 1 4 . 1 1 29 29 THR CA C 528 66.819 66.819 67.151 -0.332 18467 2338 1 4 . 1 1 29 29 THR CB C 528 68.696 68.696 68.171 0.525 18467 2339 1 4 . 1 1 29 29 THR H H 528 7.584 7.584 8.174 -0.590 18467 2340 1 4 . 1 1 30 30 GLU N N 529 117.727 117.727 119.625 -1.898 18467 2341 1 4 . 1 1 30 30 GLU HA H 529 3.986 3.986 4.029 -0.043 18467 2342 1 4 . 1 1 30 30 GLU C C 529 179.348 179.348 178.506 0.842 18467 2343 1 4 . 1 1 30 30 GLU CA C 529 59.738 59.738 59.922 -0.184 18467 2344 1 4 . 1 1 30 30 GLU CB C 529 28.596 28.596 29.241 -0.645 18467 2345 1 4 . 1 1 30 30 GLU H H 529 8.304 8.304 7.851 0.453 18467 2346 1 4 . 1 1 31 31 THR N N 530 116.063 116.063 114.203 1.860 18467 2347 1 4 . 1 1 31 31 THR HA H 530 3.758 3.758 4.053 -0.295 18467 2348 1 4 . 1 1 31 31 THR C C 530 175.858 175.858 176.330 -0.472 18467 2349 1 4 . 1 1 31 31 THR CA C 530 67.207 67.207 66.304 0.903 18467 2350 1 4 . 1 1 31 31 THR CB C 530 69.145 69.145 68.553 0.592 18467 2351 1 4 . 1 1 31 31 THR H H 530 7.698 7.698 7.250 0.448 18467 2352 1 4 . 1 1 32 32 LEU N N 531 116.755 116.755 119.850 -3.095 18467 2353 1 4 . 1 1 32 32 LEU HA H 531 3.921 3.921 4.143 -0.222 18467 2354 1 4 . 1 1 32 32 LEU C C 531 176.163 176.163 178.278 -2.115 18467 2355 1 4 . 1 1 32 32 LEU CA C 531 55.681 55.681 56.339 -0.658 18467 2356 1 4 . 1 1 32 32 LEU CB C 531 41.417 41.417 41.327 0.090 18467 2357 1 4 . 1 1 32 32 LEU H H 531 7.108 7.108 7.643 -0.534 18467 2358 1 4 . 1 1 33 33 ASN N N 532 118.731 118.731 116.962 1.769 18467 2359 1 4 . 1 1 33 33 ASN HA H 532 4.973 4.973 4.678 0.295 18467 2360 1 4 . 1 1 33 33 ASN C C 532 174.820 174.820 175.171 -0.351 18467 2361 1 4 . 1 1 33 33 ASN CA C 532 52.139 52.139 54.142 -2.003 18467 2362 1 4 . 1 1 33 33 ASN CB C 532 40.952 40.952 39.340 1.612 18467 2363 1 4 . 1 1 33 33 ASN H H 532 7.751 7.751 8.277 -0.526 18467 2364 1 4 . 1 1 34 34 ARG N N 533 119.562 119.562 121.197 -1.635 18467 2365 1 4 . 1 1 34 34 ARG HA H 533 4.531 4.531 4.449 0.082 18467 2366 1 4 . 1 1 34 34 ARG C C 533 175.355 175.355 175.675 -0.320 18467 2367 1 4 . 1 1 34 34 ARG CA C 533 55.591 55.591 55.625 -0.034 18467 2368 1 4 . 1 1 34 34 ARG CB C 533 32.007 32.007 31.696 0.311 18467 2369 1 4 . 1 1 34 34 ARG H H 533 7.296 7.296 7.271 0.025 18467 2370 1 4 . 1 1 35 35 GLU N N 534 120.049 120.049 122.900 -2.851 18467 2371 1 4 . 1 1 35 35 GLU HA H 534 4.238 4.238 4.384 -0.146 18467 2372 1 4 . 1 1 35 35 GLU C C 534 176.281 176.281 175.972 0.309 18467 2373 1 4 . 1 1 35 35 GLU CA C 534 57.698 57.698 57.335 0.363 18467 2374 1 4 . 1 1 35 35 GLU CB C 534 29.807 29.807 30.153 -0.346 18467 2375 1 4 . 1 1 35 35 GLU H H 534 8.508 8.508 8.559 -0.051 18467 2376 1 4 . 1 1 36 36 GLY N N 535 110.987 110.987 109.328 1.659 18467 2377 1 4 . 1 1 36 36 GLY C C 535 170.566 170.566 171.961 -1.395 18467 2378 1 4 . 1 1 36 36 GLY CA C 535 44.853 44.853 44.299 0.554 18467 2379 1 4 . 1 1 36 36 GLY H H 535 7.949 7.949 8.549 -0.600 18467 2380 1 4 . 1 1 37 37 VAL N N 536 114.744 114.744 117.232 -2.488 18467 2381 1 4 . 1 1 37 37 VAL HA H 536 4.126 4.126 4.528 -0.402 18467 2382 1 4 . 1 1 37 37 VAL C C 536 173.026 173.026 173.877 -0.851 18467 2383 1 4 . 1 1 37 37 VAL CA C 536 59.318 59.318 59.489 -0.171 18467 2384 1 4 . 1 1 37 37 VAL CB C 536 33.633 33.633 32.912 0.721 18467 2385 1 4 . 1 1 37 37 VAL H H 536 7.189 7.189 7.850 -0.661 18467 2386 1 4 . 1 1 38 38 TYR N N 537 117.326 117.326 123.257 -5.931 18467 2387 1 4 . 1 1 38 38 TYR HA H 537 5.187 5.187 5.098 0.089 18467 2388 1 4 . 1 1 38 38 TYR C C 537 176.236 176.236 175.209 1.027 18467 2389 1 4 . 1 1 38 38 TYR CA C 537 56.755 56.755 56.261 0.494 18467 2390 1 4 . 1 1 38 38 TYR CB C 537 42.471 42.471 42.884 -0.413 18467 2391 1 4 . 1 1 38 38 TYR H H 537 7.491 7.491 8.003 -0.512 18467 2392 1 4 . 1 1 39 39 THR N N 538 117.089 117.089 119.297 -2.208 18467 2393 1 4 . 1 1 39 39 THR HA H 538 4.789 4.789 4.810 -0.021 18467 2394 1 4 . 1 1 39 39 THR C C 538 173.433 173.433 173.634 -0.201 18467 2395 1 4 . 1 1 39 39 THR CA C 538 62.170 62.170 62.205 -0.035 18467 2396 1 4 . 1 1 39 39 THR CB C 538 70.774 70.774 69.642 1.132 18467 2397 1 4 . 1 1 39 39 THR H H 538 7.902 7.902 8.596 -0.694 18467 2398 1 4 . 1 1 40 40 VAL N N 539 126.906 126.906 127.832 -0.926 18467 2399 1 4 . 1 1 40 40 VAL HA H 539 4.523 4.523 5.024 -0.501 18467 2400 1 4 . 1 1 40 40 VAL C C 539 173.960 173.960 174.571 -0.611 18467 2401 1 4 . 1 1 40 40 VAL CA C 539 61.184 61.184 60.812 0.371 18467 2402 1 4 . 1 1 40 40 VAL CB C 539 33.968 33.968 32.291 1.677 18467 2403 1 4 . 1 1 40 40 VAL H H 539 9.183 9.183 9.103 0.080 18467 2404 1 4 . 1 1 41 41 PHE N N 540 128.634 128.634 128.352 0.282 18467 2405 1 4 . 1 1 41 41 PHE HA H 540 5.332 5.332 4.811 0.521 18467 2406 1 4 . 1 1 41 41 PHE C C 540 173.378 173.378 175.191 -1.813 18467 2407 1 4 . 1 1 41 41 PHE CA C 540 57.718 57.718 57.554 0.164 18467 2408 1 4 . 1 1 41 41 PHE CB C 540 38.255 38.255 39.228 -0.973 18467 2409 1 4 . 1 1 41 41 PHE H H 540 9.084 9.084 8.680 0.404 18467 2410 1 4 . 1 1 42 42 ALA N N 541 125.989 125.989 129.861 -3.872 18467 2411 1 4 . 1 1 42 42 ALA HA H 541 4.499 4.499 4.773 -0.274 18467 2412 1 4 . 1 1 42 42 ALA CA C 541 49.035 49.035 48.836 0.199 18467 2413 1 4 . 1 1 42 42 ALA CB C 541 22.804 22.804 19.107 3.697 18467 2414 1 4 . 1 1 42 42 ALA H H 541 8.572 8.572 8.888 -0.316 18467 2415 1 4 . 1 1 43 43 PRO HA H 542 5.030 5.030 4.770 0.260 18467 2416 1 4 . 1 1 43 43 PRO C C 542 177.796 177.796 176.682 1.114 18467 2417 1 4 . 1 1 43 43 PRO CA C 542 60.823 60.823 62.650 -1.827 18467 2418 1 4 . 1 1 43 43 PRO CB C 542 31.462 31.462 32.040 -0.578 18467 2419 1 4 . 1 1 44 44 THR N N 543 111.786 111.786 114.222 -2.436 18467 2420 1 4 . 1 1 44 44 THR HA H 543 4.423 4.423 4.719 -0.296 18467 2421 1 4 . 1 1 44 44 THR C C 543 176.323 176.323 175.894 0.429 18467 2422 1 4 . 1 1 44 44 THR CA C 543 60.816 60.816 59.671 1.145 18467 2423 1 4 . 1 1 44 44 THR CB C 543 71.498 71.498 70.115 1.383 18467 2424 1 4 . 1 1 44 44 THR H H 543 7.739 7.739 8.172 -0.433 18467 2425 1 4 . 1 1 45 45 ASN N N 544 118.432 118.432 118.197 0.235 18467 2426 1 4 . 1 1 45 45 ASN HA H 544 4.621 4.621 4.512 0.109 18467 2427 1 4 . 1 1 45 45 ASN C C 544 177.738 177.738 176.505 1.233 18467 2428 1 4 . 1 1 45 45 ASN CA C 544 56.092 56.092 56.603 -0.511 18467 2429 1 4 . 1 1 45 45 ASN CB C 544 37.329 37.329 38.307 -0.978 18467 2430 1 4 . 1 1 45 45 ASN H H 544 8.679 8.679 8.750 -0.071 18467 2431 1 4 . 1 1 46 46 GLU N N 545 117.774 117.774 120.081 -2.307 18467 2432 1 4 . 1 1 46 46 GLU HA H 545 3.800 3.800 4.021 -0.221 18467 2433 1 4 . 1 1 46 46 GLU C C 545 178.277 178.277 177.658 0.619 18467 2434 1 4 . 1 1 46 46 GLU CA C 545 60.129 60.129 58.640 1.489 18467 2435 1 4 . 1 1 46 46 GLU CB C 545 29.254 29.254 29.628 -0.374 18467 2436 1 4 . 1 1 46 46 GLU H H 545 8.213 8.213 7.633 0.580 18467 2437 1 4 . 1 1 47 47 ALA N N 546 121.430 121.430 121.057 0.373 18467 2438 1 4 . 1 1 47 47 ALA HA H 546 3.965 3.965 4.107 -0.142 18467 2439 1 4 . 1 1 47 47 ALA C C 546 180.270 180.270 178.865 1.405 18467 2440 1 4 . 1 1 47 47 ALA CA C 546 54.894 54.894 54.649 0.245 18467 2441 1 4 . 1 1 47 47 ALA CB C 546 19.469 19.469 18.298 1.171 18467 2442 1 4 . 1 1 47 47 ALA H H 546 7.344 7.344 7.250 0.094 18467 2443 1 4 . 1 1 48 48 PHE N N 547 115.617 115.617 113.610 2.007 18467 2444 1 4 . 1 1 48 48 PHE HA H 547 3.923 3.923 3.843 0.080 18467 2445 1 4 . 1 1 48 48 PHE C C 547 178.849 178.849 176.167 2.682 18467 2446 1 4 . 1 1 48 48 PHE CA C 547 61.460 61.460 58.464 2.996 18467 2447 1 4 . 1 1 48 48 PHE CB C 547 38.400 38.400 37.607 0.793 18467 2448 1 4 . 1 1 48 48 PHE H H 547 7.128 7.128 6.744 0.384 18467 2449 1 4 . 1 1 49 49 ARG N N 548 118.721 118.721 119.552 -0.831 18467 2450 1 4 . 1 1 49 49 ARG C C 548 175.961 175.961 176.954 -0.993 18467 2451 1 4 . 1 1 49 49 ARG CA C 548 58.359 58.359 57.333 1.026 18467 2452 1 4 . 1 1 49 49 ARG CB C 548 30.082 30.082 31.266 -1.184 18467 2453 1 4 . 1 1 49 49 ARG H H 548 8.233 8.233 7.701 0.532 18467 2454 1 4 . 1 1 50 50 ALA N N 549 118.911 118.911 121.636 -2.725 18467 2455 1 4 . 1 1 50 50 ALA HA H 549 4.309 4.309 4.348 -0.039 18467 2456 1 4 . 1 1 50 50 ALA C C 549 178.758 178.758 177.898 0.860 18467 2457 1 4 . 1 1 50 50 ALA CA C 549 52.405 52.405 51.941 0.464 18467 2458 1 4 . 1 1 50 50 ALA CB C 549 18.856 18.856 19.269 -0.413 18467 2459 1 4 . 1 1 50 50 ALA H H 549 7.166 7.166 7.868 -0.702 18467 2460 1 4 . 1 1 51 51 LEU N N 550 119.543 119.543 117.180 2.363 18467 2461 1 4 . 1 1 51 51 LEU HA H 550 4.541 4.541 4.818 -0.277 18467 2462 1 4 . 1 1 51 51 LEU CA C 550 53.504 53.504 52.172 1.331 18467 2463 1 4 . 1 1 51 51 LEU CB C 550 41.195 41.195 41.262 -0.067 18467 2464 1 4 . 1 1 51 51 LEU H H 550 7.130 7.130 7.319 -0.189 18467 2465 1 4 . 1 1 52 52 PRO HA H 551 4.780 4.780 4.958 -0.178 18467 2466 1 4 . 1 1 52 52 PRO CA C 551 61.356 61.356 61.130 0.226 18467 2467 1 4 . 1 1 52 52 PRO CB C 551 31.589 31.589 31.773 -0.184 18467 2468 1 4 . 1 1 53 53 PRO HA H 552 4.415 4.415 4.176 0.239 18467 2469 1 4 . 1 1 53 53 PRO CA C 552 65.934 65.934 65.690 0.244 18467 2470 1 4 . 1 1 53 53 PRO CB C 552 32.117 32.117 31.932 0.185 18467 2471 1 4 . 1 1 54 54 ARG C C 553 178.861 178.861 179.170 -0.309 18467 2472 1 4 . 1 1 54 54 ARG CA C 553 59.040 59.040 57.439 1.601 18467 2473 1 4 . 1 1 54 54 ARG CB C 553 29.650 29.650 29.110 0.540 18467 2474 1 4 . 1 1 55 55 GLU N N 554 120.619 120.619 121.022 -0.403 18467 2475 1 4 . 1 1 55 55 GLU HA H 554 4.569 4.569 4.135 0.434 18467 2476 1 4 . 1 1 55 55 GLU CA C 554 57.913 57.913 59.866 -1.953 18467 2477 1 4 . 1 1 55 55 GLU CB C 554 29.799 29.799 29.311 0.489 18467 2478 1 4 . 1 1 55 55 GLU H H 554 7.713 7.713 7.922 -0.209 18467 2479 1 4 . 1 1 56 56 TRP N N 555 120.789 120.789 119.915 0.874 18467 2480 1 4 . 1 1 56 56 TRP HA H 555 4.790 4.790 4.652 0.138 18467 2481 1 4 . 1 1 56 56 TRP C C 555 176.837 176.837 178.638 -1.801 18467 2482 1 4 . 1 1 56 56 TRP CA C 555 59.458 59.458 60.665 -1.207 18467 2483 1 4 . 1 1 56 56 TRP CB C 555 30.606 30.606 29.500 1.105 18467 2484 1 4 . 1 1 56 56 TRP H H 555 8.151 8.151 7.769 0.382 18467 2485 1 4 . 1 1 57 57 SER N N 556 110.579 110.579 115.525 -4.946 18467 2486 1 4 . 1 1 57 57 SER HA H 556 4.169 4.169 4.139 0.030 18467 2487 1 4 . 1 1 57 57 SER C C 556 177.169 177.169 176.324 0.845 18467 2488 1 4 . 1 1 57 57 SER CA C 556 61.964 61.964 61.934 0.030 18467 2489 1 4 . 1 1 57 57 SER H H 556 8.263 8.263 8.542 -0.279 18467 2490 1 4 . 1 1 58 58 ARG N N 557 122.546 122.546 121.281 1.265 18467 2491 1 4 . 1 1 58 58 ARG CA C 557 59.314 59.314 57.778 1.536 18467 2492 1 4 . 1 1 58 58 ARG CB C 557 30.188 30.188 29.824 0.364 18467 2493 1 4 . 1 1 58 58 ARG H H 557 7.594 7.594 7.284 0.310 18467 2494 1 4 . 1 1 59 59 LEU N N 558 120.695 120.695 120.466 0.229 18467 2495 1 4 . 1 1 59 59 LEU HA H 558 3.902 3.902 3.885 0.017 18467 2496 1 4 . 1 1 59 59 LEU C C 558 178.293 178.293 179.227 -0.934 18467 2497 1 4 . 1 1 59 59 LEU CA C 558 57.989 57.989 57.765 0.224 18467 2498 1 4 . 1 1 59 59 LEU CB C 558 41.974 41.974 41.412 0.562 18467 2499 1 4 . 1 1 59 59 LEU H H 558 8.143 8.143 7.987 0.156 18467 2500 1 4 . 1 1 60 60 LEU N N 559 115.713 115.713 116.507 -0.794 18467 2501 1 4 . 1 1 60 60 LEU HA H 559 3.643 3.643 3.982 -0.339 18467 2502 1 4 . 1 1 60 60 LEU C C 559 178.818 178.818 178.833 -0.015 18467 2503 1 4 . 1 1 60 60 LEU CA C 559 56.773 56.773 56.685 0.088 18467 2504 1 4 . 1 1 60 60 LEU CB C 559 41.434 41.434 41.111 0.323 18467 2505 1 4 . 1 1 60 60 LEU H H 559 7.725 7.725 8.144 -0.419 18467 2506 1 4 . 1 1 61 61 GLY N N 560 103.312 103.312 106.099 -2.787 18467 2507 1 4 . 1 1 61 61 GLY C C 560 173.364 173.364 174.198 -0.834 18467 2508 1 4 . 1 1 61 61 GLY CA C 560 45.029 45.029 45.529 -0.500 18467 2509 1 4 . 1 1 61 61 GLY H H 560 7.311 7.311 7.774 -0.463 18467 2510 1 4 . 1 1 62 62 ASP N N 561 122.455 122.455 117.390 5.065 18467 2511 1 4 . 1 1 62 62 ASP HA H 561 4.847 4.847 4.808 0.039 18467 2512 1 4 . 1 1 62 62 ASP C C 561 173.909 173.909 174.888 -0.979 18467 2513 1 4 . 1 1 62 62 ASP CA C 561 52.302 52.302 53.152 -0.850 18467 2514 1 4 . 1 1 62 62 ASP CB C 561 41.362 41.362 43.770 -2.408 18467 2515 1 4 . 1 1 62 62 ASP H H 561 7.532 7.532 7.607 -0.075 18467 2516 1 4 . 1 1 63 63 ALA N N 562 125.643 125.643 126.506 -0.863 18467 2517 1 4 . 1 1 63 63 ALA HA H 562 4.019 4.019 4.074 -0.055 18467 2518 1 4 . 1 1 63 63 ALA C C 562 180.109 180.109 178.866 1.243 18467 2519 1 4 . 1 1 63 63 ALA CA C 562 55.660 55.660 55.456 0.204 18467 2520 1 4 . 1 1 63 63 ALA CB C 562 18.980 18.980 19.375 -0.396 18467 2521 1 4 . 1 1 63 63 ALA H H 562 8.372 8.372 8.665 -0.293 18467 2522 1 4 . 1 1 64 64 LYS N N 563 117.354 117.354 116.770 0.584 18467 2523 1 4 . 1 1 64 64 LYS HA H 563 4.116 4.116 4.024 0.092 18467 2524 1 4 . 1 1 64 64 LYS C C 563 179.293 179.293 178.100 1.193 18467 2525 1 4 . 1 1 64 64 LYS CA C 563 59.459 59.459 58.562 0.897 18467 2526 1 4 . 1 1 64 64 LYS CB C 563 32.165 32.165 31.765 0.400 18467 2527 1 4 . 1 1 64 64 LYS H H 563 8.111 8.111 7.996 0.115 18467 2528 1 4 . 1 1 65 65 GLU N N 564 120.953 120.953 121.154 -0.201 18467 2529 1 4 . 1 1 65 65 GLU HA H 564 4.207 4.207 4.132 0.075 18467 2530 1 4 . 1 1 65 65 GLU C C 564 179.679 179.679 178.341 1.338 18467 2531 1 4 . 1 1 65 65 GLU CA C 564 58.683 58.683 58.206 0.477 18467 2532 1 4 . 1 1 65 65 GLU CB C 564 29.403 29.403 29.075 0.329 18467 2533 1 4 . 1 1 65 65 GLU H H 564 7.725 7.725 7.723 0.002 18467 2534 1 4 . 1 1 66 66 LEU N N 565 120.534 120.534 121.219 -0.685 18467 2535 1 4 . 1 1 66 66 LEU HA H 565 4.117 4.117 3.694 0.423 18467 2536 1 4 . 1 1 66 66 LEU C C 565 178.692 178.692 178.507 0.185 18467 2537 1 4 . 1 1 66 66 LEU CA C 565 57.883 57.883 57.785 0.098 18467 2538 1 4 . 1 1 66 66 LEU CB C 565 40.916 40.916 41.690 -0.774 18467 2539 1 4 . 1 1 66 66 LEU H H 565 8.668 8.668 8.240 0.428 18467 2540 1 4 . 1 1 67 67 ALA N N 566 119.170 119.170 120.218 -1.048 18467 2541 1 4 . 1 1 67 67 ALA HA H 566 3.904 3.904 3.802 0.102 18467 2542 1 4 . 1 1 67 67 ALA C C 566 179.042 179.042 179.156 -0.114 18467 2543 1 4 . 1 1 67 67 ALA CA C 566 55.916 55.916 55.265 0.651 18467 2544 1 4 . 1 1 67 67 ALA CB C 566 17.972 17.972 17.838 0.134 18467 2545 1 4 . 1 1 67 67 ALA H H 566 8.474 8.474 8.567 -0.093 18467 2546 1 4 . 1 1 68 68 ASN N N 567 115.725 115.725 116.681 -0.956 18467 2547 1 4 . 1 1 68 68 ASN HA H 567 4.479 4.479 4.482 -0.003 18467 2548 1 4 . 1 1 68 68 ASN CA C 567 57.014 57.014 56.229 0.785 18467 2549 1 4 . 1 1 68 68 ASN CB C 567 38.597 38.597 38.404 0.193 18467 2550 1 4 . 1 1 68 68 ASN H H 567 7.555 7.555 7.673 -0.118 18467 2551 1 4 . 1 1 69 69 ILE N N 568 118.231 118.231 118.711 -0.480 18467 2552 1 4 . 1 1 69 69 ILE HA H 568 4.125 4.125 4.028 0.097 18467 2553 1 4 . 1 1 69 69 ILE C C 568 179.766 179.766 178.447 1.319 18467 2554 1 4 . 1 1 69 69 ILE CA C 568 64.168 64.168 63.817 0.351 18467 2555 1 4 . 1 1 69 69 ILE CB C 568 38.547 38.547 38.633 -0.086 18467 2556 1 4 . 1 1 69 69 ILE H H 568 7.832 7.832 7.395 0.437 18467 2557 1 4 . 1 1 70 70 LEU N N 569 120.962 120.962 120.639 0.323 18467 2558 1 4 . 1 1 70 70 LEU HA H 569 4.114 4.114 3.957 0.157 18467 2559 1 4 . 1 1 70 70 LEU C C 569 179.633 179.633 179.170 0.463 18467 2560 1 4 . 1 1 70 70 LEU CA C 569 58.463 58.463 57.559 0.903 18467 2561 1 4 . 1 1 70 70 LEU CB C 569 42.056 42.056 41.472 0.584 18467 2562 1 4 . 1 1 70 70 LEU H H 569 8.705 8.705 8.263 0.442 18467 2563 1 4 . 1 1 71 71 LYS N N 570 116.318 116.318 118.494 -2.176 18467 2564 1 4 . 1 1 71 71 LYS HA H 570 3.933 3.933 4.087 -0.154 18467 2565 1 4 . 1 1 71 71 LYS C C 570 177.691 177.691 177.815 -0.124 18467 2566 1 4 . 1 1 71 71 LYS CA C 570 60.750 60.750 58.672 2.078 18467 2567 1 4 . 1 1 71 71 LYS CB C 570 32.439 32.439 32.042 0.397 18467 2568 1 4 . 1 1 71 71 LYS H H 570 8.889 8.889 8.258 0.631 18467 2569 1 4 . 1 1 72 72 TYR N N 571 119.628 119.628 119.145 0.483 18467 2570 1 4 . 1 1 72 72 TYR HA H 571 4.596 4.596 4.386 0.210 18467 2571 1 4 . 1 1 72 72 TYR C C 571 171.958 171.958 175.811 -3.853 18467 2572 1 4 . 1 1 72 72 TYR CA C 571 59.022 59.022 59.477 -0.455 18467 2573 1 4 . 1 1 72 72 TYR CB C 571 38.970 38.970 38.531 0.440 18467 2574 1 4 . 1 1 72 72 TYR H H 571 7.557 7.557 8.128 -0.571 18467 2575 1 4 . 1 1 73 73 HIS N N 572 108.692 108.692 116.439 -7.747 18467 2576 1 4 . 1 1 73 73 HIS HA H 572 4.206 4.206 4.403 -0.197 18467 2577 1 4 . 1 1 73 73 HIS C C 572 173.668 173.668 174.405 -0.737 18467 2578 1 4 . 1 1 73 73 HIS CA C 572 58.880 58.880 58.447 0.433 18467 2579 1 4 . 1 1 73 73 HIS CB C 572 28.164 28.164 29.867 -1.703 18467 2580 1 4 . 1 1 73 73 HIS H H 572 7.583 7.583 7.611 -0.028 18467 2581 1 4 . 1 1 74 74 ILE N N 573 117.585 117.585 118.531 -0.946 18467 2582 1 4 . 1 1 74 74 ILE HA H 573 5.236 5.236 4.513 0.723 18467 2583 1 4 . 1 1 74 74 ILE C C 573 175.634 175.634 175.108 0.526 18467 2584 1 4 . 1 1 74 74 ILE CA C 573 59.501 59.501 60.049 -0.548 18467 2585 1 4 . 1 1 74 74 ILE CB C 573 40.955 40.955 40.421 0.534 18467 2586 1 4 . 1 1 74 74 ILE H H 573 7.283 7.283 7.002 0.281 18467 2587 1 4 . 1 1 75 75 GLY N N 574 111.783 111.783 112.763 -0.980 18467 2588 1 4 . 1 1 75 75 GLY C C 574 173.914 173.914 174.752 -0.838 18467 2589 1 4 . 1 1 75 75 GLY CA C 574 43.960 43.960 44.022 -0.062 18467 2590 1 4 . 1 1 75 75 GLY H H 574 10.218 10.218 8.912 1.306 18467 2591 1 4 . 1 1 76 76 ASP N N 575 120.537 120.537 117.882 2.655 18467 2592 1 4 . 1 1 76 76 ASP HA H 575 4.759 4.759 4.733 0.026 18467 2593 1 4 . 1 1 76 76 ASP C C 575 174.756 174.756 175.658 -0.902 18467 2594 1 4 . 1 1 76 76 ASP CA C 575 53.707 53.707 53.866 -0.159 18467 2595 1 4 . 1 1 76 76 ASP CB C 575 41.029 41.029 41.342 -0.313 18467 2596 1 4 . 1 1 76 76 ASP H H 575 8.361 8.361 8.212 0.149 18467 2597 1 4 . 1 1 77 77 GLU N N 576 114.270 114.270 115.370 -1.100 18467 2598 1 4 . 1 1 77 77 GLU HA H 576 4.472 4.472 4.621 -0.149 18467 2599 1 4 . 1 1 77 77 GLU CA C 576 54.500 54.500 54.305 0.195 18467 2600 1 4 . 1 1 77 77 GLU CB C 576 33.422 33.422 32.101 1.321 18467 2601 1 4 . 1 1 77 77 GLU H H 576 7.266 7.266 7.665 -0.399 18467 2602 1 4 . 1 1 78 78 ILE N N 577 120.961 120.961 121.146 -0.185 18467 2603 1 4 . 1 1 78 78 ILE HA H 577 3.570 3.570 4.660 -1.090 18467 2604 1 4 . 1 1 78 78 ILE C C 577 174.815 174.815 175.660 -0.845 18467 2605 1 4 . 1 1 78 78 ILE CA C 577 62.347 62.347 61.284 1.063 18467 2606 1 4 . 1 1 78 78 ILE CB C 577 38.390 38.390 38.589 -0.199 18467 2607 1 4 . 1 1 78 78 ILE H H 577 8.514 8.514 8.575 -0.061 18467 2608 1 4 . 1 1 79 79 LEU N N 578 132.660 132.660 130.627 2.033 18467 2609 1 4 . 1 1 79 79 LEU HA H 578 4.779 4.779 4.719 0.060 18467 2610 1 4 . 1 1 79 79 LEU C C 578 174.161 174.161 175.523 -1.362 18467 2611 1 4 . 1 1 79 79 LEU CA C 578 53.881 53.881 53.351 0.530 18467 2612 1 4 . 1 1 79 79 LEU CB C 578 44.088 44.088 42.790 1.298 18467 2613 1 4 . 1 1 79 79 LEU H H 578 7.973 7.973 8.801 -0.828 18467 2614 1 4 . 1 1 80 80 VAL N N 579 118.506 118.506 119.336 -0.830 18467 2615 1 4 . 1 1 80 80 VAL HA H 579 4.767 4.767 4.438 0.329 18467 2616 1 4 . 1 1 80 80 VAL C C 579 178.415 178.415 177.043 1.372 18467 2617 1 4 . 1 1 80 80 VAL CA C 579 59.505 59.505 61.104 -1.599 18467 2618 1 4 . 1 1 80 80 VAL CB C 579 33.491 33.491 33.050 0.441 18467 2619 1 4 . 1 1 80 80 VAL H H 579 7.968 7.968 7.994 -0.026 18467 2620 1 4 . 1 1 81 81 SER N N 580 121.910 121.910 117.618 4.292 18467 2621 1 4 . 1 1 81 81 SER HA H 580 3.828 3.828 4.293 -0.465 18467 2622 1 4 . 1 1 81 81 SER C C 580 177.014 177.014 175.551 1.463 18467 2623 1 4 . 1 1 81 81 SER CA C 580 62.856 62.856 60.751 2.105 18467 2624 1 4 . 1 1 81 81 SER CB C 580 62.118 62.118 63.036 -0.918 18467 2625 1 4 . 1 1 81 81 SER H H 580 11.091 11.091 8.925 2.166 18467 2626 1 4 . 1 1 82 82 GLY N N 581 107.507 107.507 106.618 0.889 18467 2627 1 4 . 1 1 82 82 GLY C C 581 174.753 174.753 175.213 -0.460 18467 2628 1 4 . 1 1 82 82 GLY CA C 581 45.933 45.933 45.630 0.303 18467 2629 1 4 . 1 1 82 82 GLY H H 581 8.283 8.283 8.171 0.112 18467 2630 1 4 . 1 1 83 83 GLY N N 582 107.844 107.844 108.582 -0.738 18467 2631 1 4 . 1 1 83 83 GLY C C 582 174.383 174.383 174.577 -0.194 18467 2632 1 4 . 1 1 83 83 GLY CA C 582 44.437 44.437 44.405 0.032 18467 2633 1 4 . 1 1 83 83 GLY H H 582 8.244 8.244 7.896 0.348 18467 2634 1 4 . 1 1 84 84 ILE N N 583 120.981 120.981 123.747 -2.766 18467 2635 1 4 . 1 1 84 84 ILE HA H 583 3.820 3.820 3.819 0.001 18467 2636 1 4 . 1 1 84 84 ILE C C 583 175.634 175.634 175.472 0.162 18467 2637 1 4 . 1 1 84 84 ILE CA C 583 62.879 62.879 62.761 0.118 18467 2638 1 4 . 1 1 84 84 ILE CB C 583 39.028 39.028 36.983 2.045 18467 2639 1 4 . 1 1 84 84 ILE H H 583 7.307 7.307 7.510 -0.203 18467 2640 1 4 . 1 1 85 85 GLY N N 584 112.078 112.078 113.923 -1.845 18467 2641 1 4 . 1 1 85 85 GLY C C 584 173.113 173.113 173.973 -0.860 18467 2642 1 4 . 1 1 85 85 GLY CA C 584 45.639 45.639 44.156 1.483 18467 2643 1 4 . 1 1 85 85 GLY H H 584 7.953 7.953 7.735 0.218 18467 2644 1 4 . 1 1 86 86 ALA N N 585 125.109 125.109 121.465 3.644 18467 2645 1 4 . 1 1 86 86 ALA HA H 585 4.312 4.312 4.319 -0.007 18467 2646 1 4 . 1 1 86 86 ALA C C 585 177.336 177.336 176.999 0.337 18467 2647 1 4 . 1 1 86 86 ALA CA C 585 54.080 54.080 54.572 -0.492 18467 2648 1 4 . 1 1 86 86 ALA CB C 585 19.745 19.745 19.299 0.446 18467 2649 1 4 . 1 1 86 86 ALA H H 585 8.295 8.295 8.364 -0.069 18467 2650 1 4 . 1 1 87 87 LEU N N 586 118.488 118.488 116.117 2.371 18467 2651 1 4 . 1 1 87 87 LEU HA H 586 4.716 4.716 5.212 -0.496 18467 2652 1 4 . 1 1 87 87 LEU C C 586 175.578 175.578 175.033 0.545 18467 2653 1 4 . 1 1 87 87 LEU CA C 586 56.100 56.100 54.389 1.711 18467 2654 1 4 . 1 1 87 87 LEU CB C 586 43.651 43.651 45.541 -1.890 18467 2655 1 4 . 1 1 87 87 LEU H H 586 7.801 7.801 7.589 0.212 18467 2656 1 4 . 1 1 88 88 VAL N N 587 127.976 127.976 126.335 1.641 18467 2657 1 4 . 1 1 88 88 VAL HA H 587 4.308 4.308 4.472 -0.164 18467 2658 1 4 . 1 1 88 88 VAL C C 587 174.142 174.142 173.570 0.572 18467 2659 1 4 . 1 1 88 88 VAL CA C 587 61.428 61.428 60.170 1.258 18467 2660 1 4 . 1 1 88 88 VAL CB C 587 35.784 35.784 35.205 0.579 18467 2661 1 4 . 1 1 88 88 VAL H H 587 9.510 9.510 9.305 0.205 18467 2662 1 4 . 1 1 89 89 ARG N N 588 125.359 125.359 128.832 -3.473 18467 2663 1 4 . 1 1 89 89 ARG HA H 588 5.257 5.257 5.086 0.171 18467 2664 1 4 . 1 1 89 89 ARG C C 588 175.003 175.003 174.709 0.294 18467 2665 1 4 . 1 1 89 89 ARG CA C 588 54.807 54.807 54.258 0.548 18467 2666 1 4 . 1 1 89 89 ARG H H 588 8.622 8.622 8.341 0.281 18467 2667 1 4 . 1 1 90 90 LEU N N 589 127.862 127.862 125.741 2.121 18467 2668 1 4 . 1 1 90 90 LEU HA H 589 4.572 4.572 4.740 -0.168 18467 2669 1 4 . 1 1 90 90 LEU C C 589 174.955 174.955 175.393 -0.438 18467 2670 1 4 . 1 1 90 90 LEU CA C 589 53.115 53.115 53.078 0.037 18467 2671 1 4 . 1 1 90 90 LEU CB C 589 46.021 46.021 45.187 0.834 18467 2672 1 4 . 1 1 90 90 LEU H H 589 8.830 8.830 8.936 -0.106 18467 2673 1 4 . 1 1 91 91 LYS N N 590 129.215 129.215 127.500 1.715 18467 2674 1 4 . 1 1 91 91 LYS HA H 590 4.062 4.062 4.395 -0.333 18467 2675 1 4 . 1 1 91 91 LYS C C 590 174.635 174.635 176.344 -1.709 18467 2676 1 4 . 1 1 91 91 LYS CA C 590 58.307 58.307 57.048 1.259 18467 2677 1 4 . 1 1 91 91 LYS CB C 590 32.514 32.514 33.414 -0.900 18467 2678 1 4 . 1 1 91 91 LYS H H 590 9.429 9.429 8.847 0.582 18467 2679 1 4 . 1 1 92 92 SER N N 591 121.512 121.512 118.637 2.875 18467 2680 1 4 . 1 1 92 92 SER HA H 591 5.581 5.581 5.116 0.465 18467 2681 1 4 . 1 1 92 92 SER C C 591 178.007 178.007 175.541 2.466 18467 2682 1 4 . 1 1 92 92 SER CA C 591 58.234 58.234 56.562 1.672 18467 2683 1 4 . 1 1 92 92 SER CB C 591 67.287 67.287 65.956 1.331 18467 2684 1 4 . 1 1 92 92 SER H H 591 7.995 7.995 8.544 -0.549 18467 2685 1 4 . 1 1 93 93 LEU N N 592 121.124 121.124 119.899 1.225 18467 2686 1 4 . 1 1 93 93 LEU HA H 592 4.300 4.300 4.322 -0.022 18467 2687 1 4 . 1 1 93 93 LEU C C 592 178.518 178.518 178.677 -0.159 18467 2688 1 4 . 1 1 93 93 LEU CA C 592 57.245 57.245 56.883 0.362 18467 2689 1 4 . 1 1 93 93 LEU CB C 592 41.313 41.313 42.083 -0.770 18467 2690 1 4 . 1 1 93 93 LEU H H 592 9.336 9.336 8.457 0.879 18467 2691 1 4 . 1 1 94 94 GLN N N 593 118.739 118.739 118.162 0.577 18467 2692 1 4 . 1 1 94 94 GLN HA H 593 4.249 4.249 4.131 0.118 18467 2693 1 4 . 1 1 94 94 GLN C C 593 176.082 176.082 177.389 -1.307 18467 2694 1 4 . 1 1 94 94 GLN CA C 593 56.540 56.540 57.966 -1.426 18467 2695 1 4 . 1 1 94 94 GLN CB C 593 27.654 27.654 29.483 -1.829 18467 2696 1 4 . 1 1 94 94 GLN H H 593 7.491 7.491 7.730 -0.239 18467 2697 1 4 . 1 1 95 95 GLY N N 594 109.382 109.382 106.209 3.173 18467 2698 1 4 . 1 1 95 95 GLY C C 594 174.393 174.393 174.124 0.269 18467 2699 1 4 . 1 1 95 95 GLY CA C 594 45.457 45.457 44.711 0.746 18467 2700 1 4 . 1 1 95 95 GLY H H 594 7.631 7.631 7.804 -0.173 18467 2701 1 4 . 1 1 96 96 ASP N N 595 121.087 121.087 121.919 -0.832 18467 2702 1 4 . 1 1 96 96 ASP HA H 595 4.863 4.863 4.937 -0.074 18467 2703 1 4 . 1 1 96 96 ASP C C 595 177.273 177.273 174.486 2.787 18467 2704 1 4 . 1 1 96 96 ASP CA C 595 54.520 54.520 53.218 1.302 18467 2705 1 4 . 1 1 96 96 ASP CB C 595 41.277 41.277 43.169 -1.892 18467 2706 1 4 . 1 1 96 96 ASP H H 595 8.650 8.650 8.291 0.359 18467 2707 1 4 . 1 1 97 97 LYS N N 596 119.713 119.713 117.474 2.239 18467 2708 1 4 . 1 1 97 97 LYS HA H 596 5.025 5.025 4.630 0.395 18467 2709 1 4 . 1 1 97 97 LYS C C 596 176.566 176.566 175.848 0.718 18467 2710 1 4 . 1 1 97 97 LYS CA C 596 56.274 56.274 55.006 1.268 18467 2711 1 4 . 1 1 97 97 LYS CB C 596 33.771 33.771 34.460 -0.689 18467 2712 1 4 . 1 1 97 97 LYS H H 596 9.028 9.028 8.389 0.639 18467 2713 1 4 . 1 1 98 98 LEU N N 597 125.754 125.754 125.513 0.241 18467 2714 1 4 . 1 1 98 98 LEU HA H 597 4.398 4.398 4.713 -0.315 18467 2715 1 4 . 1 1 98 98 LEU C C 597 176.144 176.144 176.766 -0.622 18467 2716 1 4 . 1 1 98 98 LEU CA C 597 53.899 53.899 53.987 -0.089 18467 2717 1 4 . 1 1 98 98 LEU CB C 597 45.148 45.148 42.127 3.021 18467 2718 1 4 . 1 1 98 98 LEU H H 597 9.336 9.336 9.120 0.216 18467 2719 1 4 . 1 1 99 99 GLU N N 598 121.101 121.101 126.653 -5.552 18467 2720 1 4 . 1 1 99 99 GLU HA H 598 4.662 4.662 4.345 0.317 18467 2721 1 4 . 1 1 99 99 GLU C C 598 175.132 175.132 175.525 -0.393 18467 2722 1 4 . 1 1 99 99 GLU CA C 598 55.714 55.714 55.540 0.174 18467 2723 1 4 . 1 1 99 99 GLU CB C 598 30.542 30.542 29.217 1.325 18467 2724 1 4 . 1 1 99 99 GLU H H 598 8.368 8.368 9.083 -0.715 18467 2725 1 4 . 1 1 100 100 VAL N N 599 130.595 130.595 126.806 3.789 18467 2726 1 4 . 1 1 100 100 VAL HA H 599 5.046 5.046 4.261 0.785 18467 2727 1 4 . 1 1 100 100 VAL C C 599 173.759 173.759 175.061 -1.302 18467 2728 1 4 . 1 1 100 100 VAL CA C 599 61.081 61.081 61.557 -0.476 18467 2729 1 4 . 1 1 100 100 VAL CB C 599 32.873 32.873 31.621 1.252 18467 2730 1 4 . 1 1 100 100 VAL H H 599 9.337 9.337 7.868 1.469 18467 2731 1 4 . 1 1 101 101 SER N N 600 119.887 119.887 121.820 -1.933 18467 2732 1 4 . 1 1 101 101 SER HA H 600 4.943 4.943 4.893 0.050 18467 2733 1 4 . 1 1 101 101 SER C C 600 171.934 171.934 172.294 -0.360 18467 2734 1 4 . 1 1 101 101 SER CA C 600 56.540 56.540 56.294 0.246 18467 2735 1 4 . 1 1 101 101 SER CB C 600 67.405 67.405 65.728 1.677 18467 2736 1 4 . 1 1 101 101 SER H H 600 9.033 9.033 8.751 0.282 18467 2737 1 4 . 1 1 102 102 LEU N N 601 123.007 123.007 125.460 -2.453 18467 2738 1 4 . 1 1 102 102 LEU HA H 601 5.047 5.047 5.054 -0.007 18467 2739 1 4 . 1 1 102 102 LEU C C 601 175.767 175.767 174.649 1.118 18467 2740 1 4 . 1 1 102 102 LEU CA C 601 54.324 54.324 54.409 -0.085 18467 2741 1 4 . 1 1 102 102 LEU CB C 601 45.374 45.374 46.099 -0.725 18467 2742 1 4 . 1 1 102 102 LEU H H 601 7.930 7.930 8.517 -0.587 18467 2743 1 4 . 1 1 103 103 LYS N N 602 126.480 126.480 127.180 -0.700 18467 2744 1 4 . 1 1 103 103 LYS HA H 602 4.457 4.457 4.557 -0.100 18467 2745 1 4 . 1 1 103 103 LYS CA C 602 55.707 55.707 56.329 -0.622 18467 2746 1 4 . 1 1 103 103 LYS CB C 602 35.032 35.032 33.732 1.300 18467 2747 1 4 . 1 1 103 103 LYS H H 602 8.335 8.335 8.810 -0.475 18467 2748 1 4 . 1 1 104 104 ASN HA H 603 4.296 4.296 4.382 -0.086 18467 2749 1 4 . 1 1 104 104 ASN C C 603 174.156 174.156 174.747 -0.591 18467 2750 1 4 . 1 1 104 104 ASN CA C 603 54.724 54.724 53.935 0.789 18467 2751 1 4 . 1 1 104 104 ASN CB C 603 37.168 37.168 37.734 -0.566 18467 2752 1 4 . 1 1 105 105 ASN N N 604 108.763 108.763 111.887 -3.124 18467 2753 1 4 . 1 1 105 105 ASN HA H 604 4.167 4.167 4.217 -0.050 18467 2754 1 4 . 1 1 105 105 ASN C C 604 173.754 173.754 173.535 0.219 18467 2755 1 4 . 1 1 105 105 ASN CA C 604 55.146 55.146 55.272 -0.126 18467 2756 1 4 . 1 1 105 105 ASN CB C 604 38.249 38.249 38.484 -0.235 18467 2757 1 4 . 1 1 105 105 ASN H H 604 8.682 8.682 8.352 0.330 18467 2758 1 4 . 1 1 106 106 VAL N N 605 121.612 121.612 121.763 -0.151 18467 2759 1 4 . 1 1 106 106 VAL HA H 605 4.285 4.285 4.109 0.176 18467 2760 1 4 . 1 1 106 106 VAL C C 605 176.332 176.332 175.828 0.504 18467 2761 1 4 . 1 1 106 106 VAL CA C 605 62.112 62.112 62.165 -0.053 18467 2762 1 4 . 1 1 106 106 VAL CB C 605 34.425 34.425 31.044 3.381 18467 2763 1 4 . 1 1 106 106 VAL H H 605 7.906 7.906 7.353 0.553 18467 2764 1 4 . 1 1 107 107 VAL N N 606 133.233 133.233 130.451 2.782 18467 2765 1 4 . 1 1 107 107 VAL HA H 606 4.615 4.615 4.554 0.061 18467 2766 1 4 . 1 1 107 107 VAL C C 606 174.697 174.697 175.787 -1.090 18467 2767 1 4 . 1 1 107 107 VAL CA C 606 61.712 61.712 62.545 -0.834 18467 2768 1 4 . 1 1 107 107 VAL CB C 606 32.254 32.254 32.846 -0.592 18467 2769 1 4 . 1 1 107 107 VAL H H 606 9.422 9.422 8.322 1.100 18467 2770 1 4 . 1 1 108 108 SER N N 607 120.829 120.829 123.378 -2.549 18467 2771 1 4 . 1 1 108 108 SER HA H 607 5.360 5.360 5.300 0.060 18467 2772 1 4 . 1 1 108 108 SER C C 607 171.938 171.938 173.138 -1.200 18467 2773 1 4 . 1 1 108 108 SER CA C 607 57.031 57.031 57.252 -0.221 18467 2774 1 4 . 1 1 108 108 SER CB C 607 66.490 66.490 64.050 2.440 18467 2775 1 4 . 1 1 108 108 SER H H 607 9.113 9.113 9.108 0.005 18467 2776 1 4 . 1 1 109 109 VAL N N 608 121.130 121.130 125.415 -4.285 18467 2777 1 4 . 1 1 109 109 VAL HA H 608 4.797 4.797 4.850 -0.053 18467 2778 1 4 . 1 1 109 109 VAL C C 608 173.930 173.930 174.985 -1.055 18467 2779 1 4 . 1 1 109 109 VAL CA C 608 57.351 57.351 59.159 -1.808 18467 2780 1 4 . 1 1 109 109 VAL CB C 608 33.964 33.964 33.564 0.400 18467 2781 1 4 . 1 1 109 109 VAL H H 608 9.120 9.120 8.716 0.404 18467 2782 1 4 . 1 1 110 110 ASN N N 609 128.284 128.284 127.052 1.232 18467 2783 1 4 . 1 1 110 110 ASN HA H 609 4.271 4.271 4.389 -0.118 18467 2784 1 4 . 1 1 110 110 ASN C C 609 175.369 175.369 174.762 0.607 18467 2785 1 4 . 1 1 110 110 ASN CA C 609 54.004 54.004 54.626 -0.622 18467 2786 1 4 . 1 1 110 110 ASN CB C 609 35.927 35.927 36.572 -0.645 18467 2787 1 4 . 1 1 110 110 ASN H H 609 9.777 9.777 8.814 0.963 18467 2788 1 4 . 1 1 111 111 LYS N N 610 107.711 107.711 111.135 -3.424 18467 2789 1 4 . 1 1 111 111 LYS HA H 610 3.660 3.660 4.007 -0.347 18467 2790 1 4 . 1 1 111 111 LYS C C 610 175.573 175.573 175.289 0.284 18467 2791 1 4 . 1 1 111 111 LYS CA C 610 58.404 58.404 57.170 1.234 18467 2792 1 4 . 1 1 111 111 LYS CB C 610 30.549 30.549 29.931 0.618 18467 2793 1 4 . 1 1 111 111 LYS H H 610 8.290 8.290 8.483 -0.193 18467 2794 1 4 . 1 1 112 112 GLU N N 611 125.822 125.822 118.944 6.878 18467 2795 1 4 . 1 1 112 112 GLU HA H 611 4.763 4.763 4.769 -0.006 18467 2796 1 4 . 1 1 112 112 GLU CA C 611 52.981 52.981 53.414 -0.433 18467 2797 1 4 . 1 1 112 112 GLU CB C 611 29.509 29.509 31.474 -1.965 18467 2798 1 4 . 1 1 112 112 GLU H H 611 8.595 8.595 7.944 0.651 18467 2799 1 4 . 1 1 113 113 PRO HA H 612 4.682 4.682 4.833 -0.151 18467 2800 1 4 . 1 1 113 113 PRO C C 612 177.310 177.310 176.445 0.865 18467 2801 1 4 . 1 1 113 113 PRO CA C 612 62.649 62.649 62.262 0.387 18467 2802 1 4 . 1 1 113 113 PRO CB C 612 32.139 32.139 31.941 0.198 18467 2803 1 4 . 1 1 114 114 VAL N N 613 124.773 124.773 124.424 0.349 18467 2804 1 4 . 1 1 114 114 VAL HA H 613 4.274 4.274 4.125 0.149 18467 2805 1 4 . 1 1 114 114 VAL C C 613 176.558 176.558 176.193 0.365 18467 2806 1 4 . 1 1 114 114 VAL CA C 613 62.350 62.350 62.306 0.044 18467 2807 1 4 . 1 1 114 114 VAL CB C 613 32.473 32.473 32.199 0.274 18467 2808 1 4 . 1 1 114 114 VAL H H 613 9.214 9.214 8.782 0.432 18467 2809 1 4 . 1 1 115 115 ALA N N 614 132.583 132.583 132.318 0.265 18467 2810 1 4 . 1 1 115 115 ALA HA H 614 4.321 4.321 4.364 -0.043 18467 2811 1 4 . 1 1 115 115 ALA C C 614 178.354 178.354 177.323 1.031 18467 2812 1 4 . 1 1 115 115 ALA CA C 614 53.995 53.995 53.771 0.224 18467 2813 1 4 . 1 1 115 115 ALA CB C 614 19.616 19.616 19.903 -0.287 18467 2814 1 4 . 1 1 115 115 ALA H H 614 8.935 8.935 8.966 -0.031 18467 2815 1 4 . 1 1 116 116 GLU N N 615 115.172 115.172 117.978 -2.806 18467 2816 1 4 . 1 1 116 116 GLU HA H 615 4.866 4.866 4.896 -0.030 18467 2817 1 4 . 1 1 116 116 GLU CA C 615 53.432 53.432 52.946 0.486 18467 2818 1 4 . 1 1 116 116 GLU CB C 615 31.554 31.554 31.497 0.057 18467 2819 1 4 . 1 1 116 116 GLU H H 615 6.867 6.867 7.787 -0.920 18467 2820 1 4 . 1 1 117 117 PRO HA H 616 5.651 5.651 4.795 0.856 18467 2821 1 4 . 1 1 117 117 PRO C C 616 177.099 177.099 176.639 0.460 18467 2822 1 4 . 1 1 117 117 PRO CA C 616 61.960 61.960 63.206 -1.246 18467 2823 1 4 . 1 1 117 117 PRO CB C 616 33.618 33.618 32.857 0.761 18467 2824 1 4 . 1 1 118 118 ASP N N 617 114.290 114.290 116.960 -2.670 18467 2825 1 4 . 1 1 118 118 ASP HA H 617 3.881 3.881 4.165 -0.284 18467 2826 1 4 . 1 1 118 118 ASP C C 617 174.967 174.967 176.356 -1.389 18467 2827 1 4 . 1 1 118 118 ASP CA C 617 54.921 54.921 55.189 -0.268 18467 2828 1 4 . 1 1 118 118 ASP CB C 617 37.857 37.857 40.486 -2.629 18467 2829 1 4 . 1 1 118 118 ASP H H 617 9.727 9.727 7.903 1.824 18467 2830 1 4 . 1 1 119 119 ILE N N 618 121.048 121.048 119.829 1.219 18467 2831 1 4 . 1 1 119 119 ILE HA H 618 4.037 4.037 4.072 -0.035 18467 2832 1 4 . 1 1 119 119 ILE C C 618 175.869 175.869 175.433 0.436 18467 2833 1 4 . 1 1 119 119 ILE CA C 618 62.807 62.807 60.952 1.855 18467 2834 1 4 . 1 1 119 119 ILE CB C 618 36.618 36.618 36.537 0.081 18467 2835 1 4 . 1 1 119 119 ILE H H 618 8.750 8.750 8.152 0.598 18467 2836 1 4 . 1 1 120 120 MET N N 619 125.674 125.674 126.414 -0.740 18467 2837 1 4 . 1 1 120 120 MET HA H 619 4.601 4.601 4.390 0.211 18467 2838 1 4 . 1 1 120 120 MET C C 619 174.817 174.817 175.525 -0.708 18467 2839 1 4 . 1 1 120 120 MET CA C 619 54.936 54.936 55.881 -0.945 18467 2840 1 4 . 1 1 120 120 MET CB C 619 31.313 31.313 33.283 -1.970 18467 2841 1 4 . 1 1 120 120 MET H H 619 8.080 8.080 7.862 0.218 18467 2842 1 4 . 1 1 121 121 ALA N N 620 122.849 122.849 123.814 -0.965 18467 2843 1 4 . 1 1 121 121 ALA HA H 620 4.902 4.902 4.788 0.114 18467 2844 1 4 . 1 1 121 121 ALA C C 620 177.908 177.908 178.197 -0.289 18467 2845 1 4 . 1 1 121 121 ALA CA C 620 49.986 49.986 50.426 -0.440 18467 2846 1 4 . 1 1 121 121 ALA CB C 620 23.115 23.115 21.626 1.489 18467 2847 1 4 . 1 1 121 121 ALA H H 620 8.377 8.377 8.709 -0.332 18467 2848 1 4 . 1 1 122 122 THR N N 621 111.104 111.104 110.971 0.133 18467 2849 1 4 . 1 1 122 122 THR HA H 621 4.051 4.051 4.196 -0.145 18467 2850 1 4 . 1 1 122 122 THR C C 621 176.320 176.320 175.158 1.162 18467 2851 1 4 . 1 1 122 122 THR CA C 621 64.524 64.524 64.811 -0.287 18467 2852 1 4 . 1 1 122 122 THR CB C 621 68.391 68.391 68.995 -0.604 18467 2853 1 4 . 1 1 122 122 THR H H 621 9.183 9.183 8.537 0.646 18467 2854 1 4 . 1 1 123 123 ASN N N 622 117.445 117.445 117.484 -0.039 18467 2855 1 4 . 1 1 123 123 ASN HA H 622 5.030 5.030 5.016 0.014 18467 2856 1 4 . 1 1 123 123 ASN C C 622 173.263 173.263 174.533 -1.270 18467 2857 1 4 . 1 1 123 123 ASN CA C 622 51.203 51.203 51.803 -0.600 18467 2858 1 4 . 1 1 123 123 ASN CB C 622 37.076 37.076 38.621 -1.545 18467 2859 1 4 . 1 1 123 123 ASN H H 622 7.969 7.969 8.058 -0.089 18467 2860 1 4 . 1 1 124 124 GLY N N 623 102.705 102.705 107.048 -4.343 18467 2861 1 4 . 1 1 124 124 GLY C C 623 169.925 169.925 171.691 -1.766 18467 2862 1 4 . 1 1 124 124 GLY CA C 623 46.709 46.709 45.162 1.547 18467 2863 1 4 . 1 1 124 124 GLY H H 623 6.921 6.921 7.245 -0.324 18467 2864 1 4 . 1 1 125 125 VAL N N 624 119.913 119.913 119.643 0.270 18467 2865 1 4 . 1 1 125 125 VAL HA H 624 4.877 4.877 4.497 0.380 18467 2866 1 4 . 1 1 125 125 VAL C C 624 170.887 170.887 173.131 -2.244 18467 2867 1 4 . 1 1 125 125 VAL CA C 624 58.527 58.527 59.160 -0.633 18467 2868 1 4 . 1 1 125 125 VAL CB C 624 34.967 34.967 35.604 -0.637 18467 2869 1 4 . 1 1 125 125 VAL H H 624 8.485 8.485 8.329 0.156 18467 2870 1 4 . 1 1 126 126 VAL N N 625 127.599 127.599 126.716 0.883 18467 2871 1 4 . 1 1 126 126 VAL HA H 625 4.619 4.619 4.894 -0.275 18467 2872 1 4 . 1 1 126 126 VAL C C 625 172.882 172.882 174.108 -1.226 18467 2873 1 4 . 1 1 126 126 VAL CA C 625 60.534 60.534 60.113 0.421 18467 2874 1 4 . 1 1 126 126 VAL CB C 625 34.184 34.184 35.173 -0.989 18467 2875 1 4 . 1 1 126 126 VAL H H 625 9.106 9.106 8.510 0.596 18467 2876 1 4 . 1 1 127 127 HIS N N 626 124.292 124.292 123.752 0.540 18467 2877 1 4 . 1 1 127 127 HIS HA H 626 5.494 5.494 5.142 0.352 18467 2878 1 4 . 1 1 127 127 HIS C C 626 175.629 175.629 174.878 0.751 18467 2879 1 4 . 1 1 127 127 HIS CA C 626 53.247 53.247 54.112 -0.865 18467 2880 1 4 . 1 1 127 127 HIS CB C 626 34.369 34.369 32.645 1.724 18467 2881 1 4 . 1 1 127 127 HIS H H 626 8.754 8.754 8.617 0.137 18467 2882 1 4 . 1 1 128 128 VAL N N 627 124.493 124.493 126.614 -2.121 18467 2883 1 4 . 1 1 128 128 VAL HA H 627 4.512 4.512 4.550 -0.038 18467 2884 1 4 . 1 1 128 128 VAL C C 627 176.349 176.349 175.844 0.505 18467 2885 1 4 . 1 1 128 128 VAL CA C 627 64.730 64.730 63.812 0.919 18467 2886 1 4 . 1 1 128 128 VAL CB C 627 32.980 32.980 31.694 1.286 18467 2887 1 4 . 1 1 128 128 VAL H H 627 8.812 8.812 8.864 -0.052 18467 2888 1 4 . 1 1 129 129 ILE N N 628 121.077 121.077 123.117 -2.040 18467 2889 1 4 . 1 1 129 129 ILE HA H 628 5.118 5.118 4.801 0.317 18467 2890 1 4 . 1 1 129 129 ILE C C 628 175.190 175.190 176.296 -1.106 18467 2891 1 4 . 1 1 129 129 ILE CA C 628 60.217 60.217 58.812 1.405 18467 2892 1 4 . 1 1 129 129 ILE CB C 628 42.539 42.539 40.569 1.970 18467 2893 1 4 . 1 1 129 129 ILE H H 628 8.629 8.629 9.084 -0.455 18467 2894 1 4 . 1 1 130 130 THR N N 629 108.406 108.406 110.112 -1.706 18467 2895 1 4 . 1 1 130 130 THR HA H 629 4.671 4.671 4.612 0.059 18467 2896 1 4 . 1 1 130 130 THR C C 629 172.980 172.980 174.332 -1.352 18467 2897 1 4 . 1 1 130 130 THR CA C 629 61.381 61.381 61.135 0.246 18467 2898 1 4 . 1 1 130 130 THR CB C 629 68.784 68.784 70.206 -1.422 18467 2899 1 4 . 1 1 130 130 THR H H 629 9.368 9.368 9.332 0.036 18467 2900 1 4 . 1 1 131 131 ASN N N 630 117.533 117.533 118.332 -0.799 18467 2901 1 4 . 1 1 131 131 ASN HA H 630 4.754 4.754 4.931 -0.177 18467 2902 1 4 . 1 1 131 131 ASN C C 630 172.493 172.493 173.932 -1.439 18467 2903 1 4 . 1 1 131 131 ASN CA C 630 52.575 52.575 51.574 1.001 18467 2904 1 4 . 1 1 131 131 ASN CB C 630 43.079 43.079 41.670 1.409 18467 2905 1 4 . 1 1 131 131 ASN H H 630 7.355 7.355 7.960 -0.605 18467 2906 1 4 . 1 1 132 132 VAL N N 631 117.886 117.886 121.173 -3.287 18467 2907 1 4 . 1 1 132 132 VAL HA H 631 3.914 3.914 4.321 -0.407 18467 2908 1 4 . 1 1 132 132 VAL C C 631 176.909 176.909 176.019 0.890 18467 2909 1 4 . 1 1 132 132 VAL CA C 631 62.424 62.424 62.817 -0.393 18467 2910 1 4 . 1 1 132 132 VAL CB C 631 32.453 32.453 33.056 -0.603 18467 2911 1 4 . 1 1 132 132 VAL H H 631 8.087 8.087 8.509 -0.422 18467 2912 1 4 . 1 1 133 133 LEU N N 632 130.948 130.948 125.947 5.001 18467 2913 1 4 . 1 1 133 133 LEU HA H 632 4.220 4.220 4.712 -0.492 18467 2914 1 4 . 1 1 133 133 LEU CA C 632 55.468 55.468 53.912 1.556 18467 2915 1 4 . 1 1 133 133 LEU H H 632 10.937 10.937 8.558 2.379 18467 2916 1 4 . 1 1 134 134 GLN N N 633 118.157 118.157 119.686 -1.529 18467 2917 1 4 . 1 1 134 134 GLN HA H 633 4.361 4.361 4.499 -0.138 18467 2918 1 4 . 1 1 134 134 GLN CA C 633 55.043 55.043 54.751 0.292 18467 2919 1 4 . 1 1 134 134 GLN CB C 633 31.449 31.449 31.616 -0.168 18467 2920 1 4 . 1 1 134 134 GLN H H 633 7.992 7.992 8.234 -0.242 18467 2921 1 5 . 1 1 3 3 MET C C 502 175.861 175.861 176.319 -0.458 18467 2922 1 5 . 1 1 3 3 MET CA C 502 55.905 55.905 55.018 0.887 18467 2923 1 5 . 1 1 3 3 MET CB C 502 34.158 34.158 34.362 -0.204 18467 2924 1 5 . 1 1 4 4 GLY N N 503 111.094 111.094 105.237 5.857 18467 2925 1 5 . 1 1 4 4 GLY C C 503 173.998 173.998 172.728 1.270 18467 2926 1 5 . 1 1 4 4 GLY CA C 503 44.482 44.482 45.058 -0.576 18467 2927 1 5 . 1 1 4 4 GLY H H 503 8.376 8.376 7.808 0.568 18467 2928 1 5 . 1 1 5 5 THR N N 504 111.539 111.539 111.704 -0.165 18467 2929 1 5 . 1 1 5 5 THR HA H 504 4.440 4.440 4.836 -0.396 18467 2930 1 5 . 1 1 5 5 THR C C 504 176.360 176.360 175.912 0.448 18467 2931 1 5 . 1 1 5 5 THR CA C 504 61.986 61.986 59.858 2.128 18467 2932 1 5 . 1 1 5 5 THR CB C 504 73.034 73.034 70.886 2.147 18467 2933 1 5 . 1 1 5 5 THR H H 504 9.233 9.233 7.928 1.305 18467 2934 1 5 . 1 1 6 6 VAL N N 505 118.212 118.212 120.147 -1.935 18467 2935 1 5 . 1 1 6 6 VAL HA H 505 3.250 3.250 3.786 -0.536 18467 2936 1 5 . 1 1 6 6 VAL C C 505 177.264 177.264 177.048 0.216 18467 2937 1 5 . 1 1 6 6 VAL CA C 505 67.200 67.200 66.108 1.092 18467 2938 1 5 . 1 1 6 6 VAL CB C 505 31.657 31.657 31.971 -0.315 18467 2939 1 5 . 1 1 6 6 VAL H H 505 9.918 9.918 9.291 0.627 18467 2940 1 5 . 1 1 7 7 MET N N 506 114.107 114.107 118.270 -4.163 18467 2941 1 5 . 1 1 7 7 MET HA H 506 4.361 4.361 4.187 0.174 18467 2942 1 5 . 1 1 7 7 MET C C 506 178.097 178.097 177.713 0.384 18467 2943 1 5 . 1 1 7 7 MET CA C 506 56.075 56.075 57.695 -1.620 18467 2944 1 5 . 1 1 7 7 MET CB C 506 30.910 30.910 32.000 -1.090 18467 2945 1 5 . 1 1 7 7 MET H H 506 6.975 6.975 7.508 -0.533 18467 2946 1 5 . 1 1 8 8 ASP N N 507 120.374 120.374 119.989 0.385 18467 2947 1 5 . 1 1 8 8 ASP HA H 507 4.255 4.255 4.438 -0.183 18467 2948 1 5 . 1 1 8 8 ASP C C 507 179.824 179.824 178.507 1.317 18467 2949 1 5 . 1 1 8 8 ASP CA C 507 58.088 58.088 57.584 0.504 18467 2950 1 5 . 1 1 8 8 ASP CB C 507 40.526 40.526 40.725 -0.199 18467 2951 1 5 . 1 1 8 8 ASP H H 507 7.430 7.430 7.700 -0.270 18467 2952 1 5 . 1 1 9 9 VAL N N 508 121.326 121.326 117.820 3.506 18467 2953 1 5 . 1 1 9 9 VAL HA H 508 3.567 3.567 3.781 -0.214 18467 2954 1 5 . 1 1 9 9 VAL C C 508 179.115 179.115 177.077 2.038 18467 2955 1 5 . 1 1 9 9 VAL CA C 508 66.131 66.131 66.064 0.067 18467 2956 1 5 . 1 1 9 9 VAL CB C 508 31.666 31.666 31.584 0.082 18467 2957 1 5 . 1 1 9 9 VAL H H 508 8.174 8.174 8.228 -0.054 18467 2958 1 5 . 1 1 10 10 LEU N N 509 117.258 117.258 116.077 1.181 18467 2959 1 5 . 1 1 10 10 LEU HA H 509 4.039 4.039 4.584 -0.545 18467 2960 1 5 . 1 1 10 10 LEU C C 509 179.091 179.091 179.362 -0.271 18467 2961 1 5 . 1 1 10 10 LEU CA C 509 57.372 57.372 56.489 0.883 18467 2962 1 5 . 1 1 10 10 LEU CB C 509 41.839 41.839 41.915 -0.076 18467 2963 1 5 . 1 1 10 10 LEU H H 509 7.896 7.896 7.387 0.509 18467 2964 1 5 . 1 1 11 11 LYS N N 510 114.824 114.824 121.166 -6.342 18467 2965 1 5 . 1 1 11 11 LYS HA H 510 3.959 3.959 4.111 -0.152 18467 2966 1 5 . 1 1 11 11 LYS C C 510 178.021 178.021 178.305 -0.284 18467 2967 1 5 . 1 1 11 11 LYS CA C 510 59.047 59.047 59.023 0.024 18467 2968 1 5 . 1 1 11 11 LYS CB C 510 32.771 32.771 32.363 0.408 18467 2969 1 5 . 1 1 11 11 LYS H H 510 8.377 8.377 8.086 0.291 18467 2970 1 5 . 1 1 12 12 GLY N N 511 104.574 104.574 106.396 -1.822 18467 2971 1 5 . 1 1 12 12 GLY C C 511 172.564 172.564 173.574 -1.010 18467 2972 1 5 . 1 1 12 12 GLY CA C 511 45.442 45.442 44.582 0.860 18467 2973 1 5 . 1 1 12 12 GLY H H 511 7.590 7.590 7.910 -0.320 18467 2974 1 5 . 1 1 13 13 ASP N N 512 120.194 120.194 119.560 0.634 18467 2975 1 5 . 1 1 13 13 ASP HA H 512 4.992 4.992 4.811 0.181 18467 2976 1 5 . 1 1 13 13 ASP CA C 512 52.469 52.469 52.489 -0.020 18467 2977 1 5 . 1 1 13 13 ASP CB C 512 43.985 43.985 43.593 0.392 18467 2978 1 5 . 1 1 13 13 ASP H H 512 7.074 7.074 7.587 -0.513 18467 2979 1 5 . 1 1 14 14 ASN HA H 513 4.447 4.447 4.509 -0.062 18467 2980 1 5 . 1 1 14 14 ASN C C 513 176.709 176.709 177.020 -0.311 18467 2981 1 5 . 1 1 14 14 ASN CA C 513 55.819 55.819 55.441 0.378 18467 2982 1 5 . 1 1 14 14 ASN CB C 513 38.100 38.100 39.078 -0.978 18467 2983 1 5 . 1 1 15 15 ARG N N 514 118.980 118.980 119.233 -0.253 18467 2984 1 5 . 1 1 15 15 ARG HA H 514 4.139 4.139 4.105 0.034 18467 2985 1 5 . 1 1 15 15 ARG C C 514 176.109 176.109 176.761 -0.652 18467 2986 1 5 . 1 1 15 15 ARG CA C 514 58.061 58.061 58.792 -0.731 18467 2987 1 5 . 1 1 15 15 ARG CB C 514 30.691 30.691 29.994 0.697 18467 2988 1 5 . 1 1 15 15 ARG H H 514 8.573 8.573 8.463 0.110 18467 2989 1 5 . 1 1 16 16 PHE N N 515 113.150 113.150 115.151 -2.001 18467 2990 1 5 . 1 1 16 16 PHE HA H 515 5.793 5.793 5.025 0.768 18467 2991 1 5 . 1 1 16 16 PHE C C 515 176.420 176.420 176.531 -0.111 18467 2992 1 5 . 1 1 16 16 PHE CA C 515 55.966 55.966 55.657 0.309 18467 2993 1 5 . 1 1 16 16 PHE CB C 515 38.644 38.644 38.465 0.179 18467 2994 1 5 . 1 1 16 16 PHE H H 515 7.592 7.592 7.651 -0.059 18467 2995 1 5 . 1 1 17 17 SER N N 516 116.649 116.649 118.519 -1.870 18467 2996 1 5 . 1 1 17 17 SER HA H 516 4.062 4.062 4.232 -0.170 18467 2997 1 5 . 1 1 17 17 SER C C 516 178.631 178.631 176.333 2.298 18467 2998 1 5 . 1 1 17 17 SER CA C 516 62.695 62.695 62.103 0.592 18467 2999 1 5 . 1 1 17 17 SER CB C 516 62.147 62.147 63.333 -1.185 18467 3000 1 5 . 1 1 17 17 SER H H 516 7.527 7.527 7.501 0.026 18467 3001 1 5 . 1 1 18 18 MET N N 517 124.591 124.591 121.371 3.220 18467 3002 1 5 . 1 1 18 18 MET HA H 517 4.122 4.122 4.439 -0.317 18467 3003 1 5 . 1 1 18 18 MET C C 517 177.503 177.503 177.951 -0.448 18467 3004 1 5 . 1 1 18 18 MET CA C 517 59.707 59.707 56.922 2.785 18467 3005 1 5 . 1 1 18 18 MET CB C 517 32.304 32.304 31.723 0.581 18467 3006 1 5 . 1 1 18 18 MET H H 517 9.271 9.271 8.457 0.814 18467 3007 1 5 . 1 1 19 19 LEU N N 518 123.039 123.039 120.426 2.613 18467 3008 1 5 . 1 1 19 19 LEU HA H 518 3.893 3.893 4.107 -0.214 18467 3009 1 5 . 1 1 19 19 LEU C C 518 178.414 178.414 178.137 0.277 18467 3010 1 5 . 1 1 19 19 LEU CA C 518 58.118 58.118 58.231 -0.113 18467 3011 1 5 . 1 1 19 19 LEU CB C 518 41.221 41.221 41.802 -0.581 18467 3012 1 5 . 1 1 19 19 LEU H H 518 8.587 8.587 8.082 0.505 18467 3013 1 5 . 1 1 20 20 VAL N N 519 118.518 118.518 118.996 -0.478 18467 3014 1 5 . 1 1 20 20 VAL HA H 519 3.322 3.322 3.604 -0.282 18467 3015 1 5 . 1 1 20 20 VAL C C 519 178.032 178.032 178.136 -0.104 18467 3016 1 5 . 1 1 20 20 VAL CA C 519 67.874 67.874 66.933 0.941 18467 3017 1 5 . 1 1 20 20 VAL CB C 519 31.600 31.600 30.822 0.778 18467 3018 1 5 . 1 1 20 20 VAL H H 519 9.070 9.070 8.074 0.996 18467 3019 1 5 . 1 1 21 21 ALA N N 520 122.534 122.534 121.192 1.342 18467 3020 1 5 . 1 1 21 21 ALA HA H 520 4.165 4.165 3.903 0.262 18467 3021 1 5 . 1 1 21 21 ALA C C 520 180.604 180.604 178.910 1.694 18467 3022 1 5 . 1 1 21 21 ALA CA C 520 55.125 55.125 54.872 0.253 18467 3023 1 5 . 1 1 21 21 ALA CB C 520 17.702 17.702 18.064 -0.362 18467 3024 1 5 . 1 1 21 21 ALA H H 520 7.594 7.594 7.444 0.150 18467 3025 1 5 . 1 1 22 22 ALA N N 521 123.185 123.185 122.326 0.859 18467 3026 1 5 . 1 1 22 22 ALA HA H 521 3.945 3.945 3.886 0.059 18467 3027 1 5 . 1 1 22 22 ALA C C 521 178.468 178.468 179.410 -0.942 18467 3028 1 5 . 1 1 22 22 ALA CA C 521 54.905 54.905 54.773 0.132 18467 3029 1 5 . 1 1 22 22 ALA CB C 521 17.956 17.956 18.343 -0.387 18467 3030 1 5 . 1 1 22 22 ALA H H 521 8.549 8.549 7.634 0.915 18467 3031 1 5 . 1 1 23 23 ILE N N 522 120.269 120.269 118.330 1.939 18467 3032 1 5 . 1 1 23 23 ILE HA H 522 3.275 3.275 3.450 -0.175 18467 3033 1 5 . 1 1 23 23 ILE C C 522 178.024 178.024 177.654 0.370 18467 3034 1 5 . 1 1 23 23 ILE CA C 522 66.015 66.015 65.209 0.806 18467 3035 1 5 . 1 1 23 23 ILE CB C 522 38.407 38.407 37.336 1.071 18467 3036 1 5 . 1 1 23 23 ILE H H 522 8.963 8.963 8.204 0.759 18467 3037 1 5 . 1 1 24 24 GLN N N 523 118.677 118.677 121.078 -2.401 18467 3038 1 5 . 1 1 24 24 GLN HA H 523 4.169 4.169 4.033 0.136 18467 3039 1 5 . 1 1 24 24 GLN C C 523 180.200 180.200 179.239 0.961 18467 3040 1 5 . 1 1 24 24 GLN CA C 523 58.567 58.567 58.984 -0.417 18467 3041 1 5 . 1 1 24 24 GLN CB C 523 27.611 27.611 28.291 -0.680 18467 3042 1 5 . 1 1 24 24 GLN H H 523 7.976 7.976 8.344 -0.368 18467 3043 1 5 . 1 1 25 25 SER N N 524 117.810 117.810 115.757 2.053 18467 3044 1 5 . 1 1 25 25 SER C C 524 175.679 175.679 175.656 0.023 18467 3045 1 5 . 1 1 25 25 SER CA C 524 62.046 62.046 60.832 1.214 18467 3046 1 5 . 1 1 25 25 SER CB C 524 63.015 63.015 62.947 0.068 18467 3047 1 5 . 1 1 25 25 SER H H 524 8.311 8.311 8.369 -0.058 18467 3048 1 5 . 1 1 26 26 ALA N N 525 119.017 119.017 120.693 -1.676 18467 3049 1 5 . 1 1 26 26 ALA HA H 525 4.307 4.307 4.215 0.092 18467 3050 1 5 . 1 1 26 26 ALA C C 525 176.838 176.838 177.859 -1.021 18467 3051 1 5 . 1 1 26 26 ALA CA C 525 52.205 52.205 52.309 -0.104 18467 3052 1 5 . 1 1 26 26 ALA CB C 525 19.912 19.912 19.202 0.710 18467 3053 1 5 . 1 1 26 26 ALA H H 525 8.322 8.322 7.476 0.846 18467 3054 1 5 . 1 1 27 27 GLY N N 526 105.650 105.650 106.833 -1.183 18467 3055 1 5 . 1 1 27 27 GLY C C 526 176.606 176.606 174.712 1.894 18467 3056 1 5 . 1 1 27 27 GLY CA C 526 46.361 46.361 45.552 0.809 18467 3057 1 5 . 1 1 27 27 GLY H H 526 7.749 7.749 7.906 -0.157 18467 3058 1 5 . 1 1 28 28 LEU N N 527 118.441 118.441 116.584 1.857 18467 3059 1 5 . 1 1 28 28 LEU HA H 527 4.452 4.452 4.897 -0.445 18467 3060 1 5 . 1 1 28 28 LEU C C 527 175.786 175.786 177.395 -1.609 18467 3061 1 5 . 1 1 28 28 LEU CA C 527 54.774 54.774 53.446 1.329 18467 3062 1 5 . 1 1 28 28 LEU CB C 527 45.162 45.162 42.169 2.994 18467 3063 1 5 . 1 1 28 28 LEU H H 527 8.100 8.100 7.909 0.191 18467 3064 1 5 . 1 1 29 29 THR N N 528 117.975 117.975 115.717 2.258 18467 3065 1 5 . 1 1 29 29 THR HA H 528 3.539 3.539 3.895 -0.356 18467 3066 1 5 . 1 1 29 29 THR C C 528 175.468 175.468 175.775 -0.307 18467 3067 1 5 . 1 1 29 29 THR CA C 528 66.819 66.819 67.645 -0.826 18467 3068 1 5 . 1 1 29 29 THR CB C 528 68.696 68.696 68.394 0.302 18467 3069 1 5 . 1 1 29 29 THR H H 528 7.584 7.584 8.233 -0.649 18467 3070 1 5 . 1 1 30 30 GLU N N 529 117.727 117.727 121.176 -3.449 18467 3071 1 5 . 1 1 30 30 GLU HA H 529 3.986 3.986 4.041 -0.055 18467 3072 1 5 . 1 1 30 30 GLU C C 529 179.348 179.348 177.765 1.583 18467 3073 1 5 . 1 1 30 30 GLU CA C 529 59.738 59.738 59.489 0.249 18467 3074 1 5 . 1 1 30 30 GLU CB C 529 28.596 28.596 27.940 0.656 18467 3075 1 5 . 1 1 30 30 GLU H H 529 8.304 8.304 8.786 -0.482 18467 3076 1 5 . 1 1 31 31 THR N N 530 116.063 116.063 115.758 0.305 18467 3077 1 5 . 1 1 31 31 THR HA H 530 3.758 3.758 3.990 -0.232 18467 3078 1 5 . 1 1 31 31 THR C C 530 175.858 175.858 176.525 -0.667 18467 3079 1 5 . 1 1 31 31 THR CA C 530 67.207 67.207 66.659 0.548 18467 3080 1 5 . 1 1 31 31 THR CB C 530 69.145 69.145 68.475 0.670 18467 3081 1 5 . 1 1 31 31 THR H H 530 7.698 7.698 7.775 -0.077 18467 3082 1 5 . 1 1 32 32 LEU N N 531 116.755 116.755 119.626 -2.871 18467 3083 1 5 . 1 1 32 32 LEU HA H 531 3.921 3.921 4.098 -0.177 18467 3084 1 5 . 1 1 32 32 LEU C C 531 176.163 176.163 177.401 -1.238 18467 3085 1 5 . 1 1 32 32 LEU CA C 531 55.681 55.681 55.693 -0.012 18467 3086 1 5 . 1 1 32 32 LEU CB C 531 41.417 41.417 41.097 0.320 18467 3087 1 5 . 1 1 32 32 LEU H H 531 7.108 7.108 7.620 -0.512 18467 3088 1 5 . 1 1 33 33 ASN N N 532 118.731 118.731 117.555 1.176 18467 3089 1 5 . 1 1 33 33 ASN HA H 532 4.973 4.973 4.709 0.264 18467 3090 1 5 . 1 1 33 33 ASN C C 532 174.820 174.820 174.885 -0.065 18467 3091 1 5 . 1 1 33 33 ASN CA C 532 52.139 52.139 53.968 -1.829 18467 3092 1 5 . 1 1 33 33 ASN CB C 532 40.952 40.952 39.210 1.742 18467 3093 1 5 . 1 1 33 33 ASN H H 532 7.751 7.751 8.117 -0.366 18467 3094 1 5 . 1 1 34 34 ARG N N 533 119.562 119.562 120.281 -0.719 18467 3095 1 5 . 1 1 34 34 ARG HA H 533 4.531 4.531 4.364 0.167 18467 3096 1 5 . 1 1 34 34 ARG C C 533 175.355 175.355 175.442 -0.087 18467 3097 1 5 . 1 1 34 34 ARG CA C 533 55.591 55.591 55.975 -0.384 18467 3098 1 5 . 1 1 34 34 ARG CB C 533 32.007 32.007 31.006 1.001 18467 3099 1 5 . 1 1 34 34 ARG H H 533 7.296 7.296 7.218 0.078 18467 3100 1 5 . 1 1 35 35 GLU N N 534 120.049 120.049 122.195 -2.146 18467 3101 1 5 . 1 1 35 35 GLU HA H 534 4.238 4.238 4.327 -0.089 18467 3102 1 5 . 1 1 35 35 GLU C C 534 176.281 176.281 176.589 -0.308 18467 3103 1 5 . 1 1 35 35 GLU CA C 534 57.698 57.698 56.714 0.984 18467 3104 1 5 . 1 1 35 35 GLU CB C 534 29.807 29.807 30.258 -0.451 18467 3105 1 5 . 1 1 35 35 GLU H H 534 8.508 8.508 8.446 0.062 18467 3106 1 5 . 1 1 36 36 GLY N N 535 110.987 110.987 112.346 -1.359 18467 3107 1 5 . 1 1 36 36 GLY C C 535 170.566 170.566 172.257 -1.691 18467 3108 1 5 . 1 1 36 36 GLY CA C 535 44.853 44.853 45.309 -0.456 18467 3109 1 5 . 1 1 36 36 GLY H H 535 7.949 7.949 8.326 -0.377 18467 3110 1 5 . 1 1 37 37 VAL N N 536 114.744 114.744 121.442 -6.698 18467 3111 1 5 . 1 1 37 37 VAL HA H 536 4.126 4.126 4.452 -0.326 18467 3112 1 5 . 1 1 37 37 VAL C C 536 173.026 173.026 173.026 0.000 18467 3113 1 5 . 1 1 37 37 VAL CA C 536 59.318 59.318 61.287 -1.969 18467 3114 1 5 . 1 1 37 37 VAL CB C 536 33.633 33.633 34.104 -0.471 18467 3115 1 5 . 1 1 37 37 VAL H H 536 7.189 7.189 7.729 -0.540 18467 3116 1 5 . 1 1 38 38 TYR N N 537 117.326 117.326 124.489 -7.163 18467 3117 1 5 . 1 1 38 38 TYR HA H 537 5.187 5.187 5.000 0.187 18467 3118 1 5 . 1 1 38 38 TYR C C 537 176.236 176.236 174.503 1.733 18467 3119 1 5 . 1 1 38 38 TYR CA C 537 56.755 56.755 56.642 0.113 18467 3120 1 5 . 1 1 38 38 TYR CB C 537 42.471 42.471 42.471 0.000 18467 3121 1 5 . 1 1 38 38 TYR H H 537 7.491 7.491 7.935 -0.444 18467 3122 1 5 . 1 1 39 39 THR N N 538 117.089 117.089 120.129 -3.040 18467 3123 1 5 . 1 1 39 39 THR HA H 538 4.789 4.789 4.711 0.078 18467 3124 1 5 . 1 1 39 39 THR C C 538 173.433 173.433 173.799 -0.366 18467 3125 1 5 . 1 1 39 39 THR CA C 538 62.170 62.170 62.289 -0.119 18467 3126 1 5 . 1 1 39 39 THR CB C 538 70.774 70.774 69.321 1.453 18467 3127 1 5 . 1 1 39 39 THR H H 538 7.902 7.902 8.558 -0.656 18467 3128 1 5 . 1 1 40 40 VAL N N 539 126.906 126.906 128.359 -1.453 18467 3129 1 5 . 1 1 40 40 VAL HA H 539 4.523 4.523 4.649 -0.126 18467 3130 1 5 . 1 1 40 40 VAL C C 539 173.960 173.960 174.782 -0.822 18467 3131 1 5 . 1 1 40 40 VAL CA C 539 61.184 61.184 61.245 -0.061 18467 3132 1 5 . 1 1 40 40 VAL CB C 539 33.968 33.968 32.692 1.276 18467 3133 1 5 . 1 1 40 40 VAL H H 539 9.183 9.183 9.086 0.097 18467 3134 1 5 . 1 1 41 41 PHE N N 540 128.634 128.634 128.268 0.366 18467 3135 1 5 . 1 1 41 41 PHE HA H 540 5.332 5.332 4.750 0.582 18467 3136 1 5 . 1 1 41 41 PHE C C 540 173.378 173.378 175.027 -1.649 18467 3137 1 5 . 1 1 41 41 PHE CA C 540 57.718 57.718 57.557 0.161 18467 3138 1 5 . 1 1 41 41 PHE CB C 540 38.255 38.255 39.129 -0.874 18467 3139 1 5 . 1 1 41 41 PHE H H 540 9.084 9.084 9.054 0.030 18467 3140 1 5 . 1 1 42 42 ALA N N 541 125.989 125.989 129.748 -3.759 18467 3141 1 5 . 1 1 42 42 ALA HA H 541 4.499 4.499 4.821 -0.322 18467 3142 1 5 . 1 1 42 42 ALA CA C 541 49.035 49.035 48.788 0.247 18467 3143 1 5 . 1 1 42 42 ALA CB C 541 22.804 22.804 19.589 3.215 18467 3144 1 5 . 1 1 42 42 ALA H H 541 8.572 8.572 8.672 -0.100 18467 3145 1 5 . 1 1 43 43 PRO HA H 542 5.030 5.030 5.548 -0.518 18467 3146 1 5 . 1 1 43 43 PRO C C 542 177.796 177.796 177.424 0.372 18467 3147 1 5 . 1 1 43 43 PRO CA C 542 60.823 60.823 61.867 -1.044 18467 3148 1 5 . 1 1 43 43 PRO CB C 542 31.462 31.462 32.921 -1.459 18467 3149 1 5 . 1 1 44 44 THR N N 543 111.786 111.786 113.216 -1.430 18467 3150 1 5 . 1 1 44 44 THR HA H 543 4.423 4.423 4.478 -0.055 18467 3151 1 5 . 1 1 44 44 THR C C 543 176.323 176.323 175.968 0.355 18467 3152 1 5 . 1 1 44 44 THR CA C 543 60.816 60.816 60.186 0.630 18467 3153 1 5 . 1 1 44 44 THR CB C 543 71.498 71.498 70.234 1.264 18467 3154 1 5 . 1 1 44 44 THR H H 543 7.739 7.739 8.277 -0.538 18467 3155 1 5 . 1 1 45 45 ASN N N 544 118.432 118.432 118.894 -0.462 18467 3156 1 5 . 1 1 45 45 ASN HA H 544 4.621 4.621 4.534 0.087 18467 3157 1 5 . 1 1 45 45 ASN C C 544 177.738 177.738 177.170 0.568 18467 3158 1 5 . 1 1 45 45 ASN CA C 544 56.092 56.092 56.715 -0.623 18467 3159 1 5 . 1 1 45 45 ASN CB C 544 37.329 37.329 38.553 -1.224 18467 3160 1 5 . 1 1 45 45 ASN H H 544 8.679 8.679 8.393 0.286 18467 3161 1 5 . 1 1 46 46 GLU N N 545 117.774 117.774 119.033 -1.259 18467 3162 1 5 . 1 1 46 46 GLU HA H 545 3.800 3.800 4.043 -0.243 18467 3163 1 5 . 1 1 46 46 GLU C C 545 178.277 178.277 177.580 0.697 18467 3164 1 5 . 1 1 46 46 GLU CA C 545 60.129 60.129 59.045 1.084 18467 3165 1 5 . 1 1 46 46 GLU CB C 545 29.254 29.254 28.492 0.762 18467 3166 1 5 . 1 1 46 46 GLU H H 545 8.213 8.213 8.385 -0.172 18467 3167 1 5 . 1 1 47 47 ALA N N 546 121.430 121.430 121.709 -0.279 18467 3168 1 5 . 1 1 47 47 ALA HA H 546 3.965 3.965 4.237 -0.272 18467 3169 1 5 . 1 1 47 47 ALA C C 546 180.270 180.270 179.163 1.107 18467 3170 1 5 . 1 1 47 47 ALA CA C 546 54.894 54.894 54.406 0.488 18467 3171 1 5 . 1 1 47 47 ALA CB C 546 19.469 19.469 18.552 0.917 18467 3172 1 5 . 1 1 47 47 ALA H H 546 7.344 7.344 7.334 0.010 18467 3173 1 5 . 1 1 48 48 PHE N N 547 115.617 115.617 116.434 -0.817 18467 3174 1 5 . 1 1 48 48 PHE HA H 547 3.923 3.923 4.371 -0.448 18467 3175 1 5 . 1 1 48 48 PHE C C 547 178.849 178.849 176.746 2.103 18467 3176 1 5 . 1 1 48 48 PHE CA C 547 61.460 61.460 59.001 2.459 18467 3177 1 5 . 1 1 48 48 PHE CB C 547 38.400 38.400 38.182 0.218 18467 3178 1 5 . 1 1 48 48 PHE H H 547 7.128 7.128 6.983 0.145 18467 3179 1 5 . 1 1 49 49 ARG N N 548 118.721 118.721 118.402 0.319 18467 3180 1 5 . 1 1 49 49 ARG C C 548 175.961 175.961 176.392 -0.431 18467 3181 1 5 . 1 1 49 49 ARG CA C 548 58.359 58.359 56.527 1.832 18467 3182 1 5 . 1 1 49 49 ARG CB C 548 30.082 30.082 30.355 -0.273 18467 3183 1 5 . 1 1 49 49 ARG H H 548 8.233 8.233 7.299 0.934 18467 3184 1 5 . 1 1 50 50 ALA N N 549 118.911 118.911 121.777 -2.866 18467 3185 1 5 . 1 1 50 50 ALA HA H 549 4.309 4.309 4.323 -0.014 18467 3186 1 5 . 1 1 50 50 ALA C C 549 178.758 178.758 177.395 1.363 18467 3187 1 5 . 1 1 50 50 ALA CA C 549 52.405 52.405 52.520 -0.115 18467 3188 1 5 . 1 1 50 50 ALA CB C 549 18.856 18.856 19.406 -0.550 18467 3189 1 5 . 1 1 50 50 ALA H H 549 7.166 7.166 7.455 -0.289 18467 3190 1 5 . 1 1 51 51 LEU N N 550 119.543 119.543 120.637 -1.094 18467 3191 1 5 . 1 1 51 51 LEU HA H 550 4.541 4.541 4.730 -0.189 18467 3192 1 5 . 1 1 51 51 LEU CA C 550 53.504 53.504 51.650 1.854 18467 3193 1 5 . 1 1 51 51 LEU CB C 550 41.195 41.195 43.067 -1.872 18467 3194 1 5 . 1 1 51 51 LEU H H 550 7.130 7.130 7.316 -0.186 18467 3195 1 5 . 1 1 52 52 PRO HA H 551 4.780 4.780 4.697 0.083 18467 3196 1 5 . 1 1 52 52 PRO CA C 551 61.356 61.356 61.767 -0.411 18467 3197 1 5 . 1 1 52 52 PRO CB C 551 31.589 31.589 31.617 -0.028 18467 3198 1 5 . 1 1 53 53 PRO HA H 552 4.415 4.415 4.279 0.136 18467 3199 1 5 . 1 1 53 53 PRO CA C 552 65.934 65.934 65.392 0.541 18467 3200 1 5 . 1 1 53 53 PRO CB C 552 32.117 32.117 31.902 0.215 18467 3201 1 5 . 1 1 54 54 ARG C C 553 178.861 178.861 178.599 0.262 18467 3202 1 5 . 1 1 54 54 ARG CA C 553 59.040 59.040 59.225 -0.185 18467 3203 1 5 . 1 1 54 54 ARG CB C 553 29.650 29.650 29.172 0.477 18467 3204 1 5 . 1 1 55 55 GLU N N 554 120.619 120.619 120.189 0.430 18467 3205 1 5 . 1 1 55 55 GLU HA H 554 4.569 4.569 4.190 0.379 18467 3206 1 5 . 1 1 55 55 GLU CA C 554 57.913 57.913 59.085 -1.172 18467 3207 1 5 . 1 1 55 55 GLU CB C 554 29.799 29.799 29.104 0.695 18467 3208 1 5 . 1 1 55 55 GLU H H 554 7.713 7.713 7.954 -0.240 18467 3209 1 5 . 1 1 56 56 TRP N N 555 120.789 120.789 121.474 -0.685 18467 3210 1 5 . 1 1 56 56 TRP HA H 555 4.790 4.790 4.552 0.238 18467 3211 1 5 . 1 1 56 56 TRP C C 555 176.837 176.837 178.361 -1.524 18467 3212 1 5 . 1 1 56 56 TRP CA C 555 59.458 59.458 61.212 -1.754 18467 3213 1 5 . 1 1 56 56 TRP CB C 555 30.606 30.606 29.816 0.791 18467 3214 1 5 . 1 1 56 56 TRP H H 555 8.151 8.151 8.268 -0.117 18467 3215 1 5 . 1 1 57 57 SER N N 556 110.579 110.579 114.371 -3.792 18467 3216 1 5 . 1 1 57 57 SER HA H 556 4.169 4.169 4.061 0.108 18467 3217 1 5 . 1 1 57 57 SER C C 556 177.169 177.169 176.257 0.912 18467 3218 1 5 . 1 1 57 57 SER CA C 556 61.964 61.964 61.824 0.140 18467 3219 1 5 . 1 1 57 57 SER H H 556 8.263 8.263 8.820 -0.557 18467 3220 1 5 . 1 1 58 58 ARG N N 557 122.546 122.546 119.901 2.645 18467 3221 1 5 . 1 1 58 58 ARG CA C 557 59.314 59.314 58.834 0.480 18467 3222 1 5 . 1 1 58 58 ARG CB C 557 30.188 30.188 30.021 0.167 18467 3223 1 5 . 1 1 58 58 ARG H H 557 7.594 7.594 7.405 0.189 18467 3224 1 5 . 1 1 59 59 LEU N N 558 120.695 120.695 120.724 -0.029 18467 3225 1 5 . 1 1 59 59 LEU HA H 558 3.902 3.902 4.064 -0.162 18467 3226 1 5 . 1 1 59 59 LEU C C 558 178.293 178.293 179.062 -0.769 18467 3227 1 5 . 1 1 59 59 LEU CA C 558 57.989 57.989 57.037 0.952 18467 3228 1 5 . 1 1 59 59 LEU CB C 558 41.974 41.974 41.852 0.122 18467 3229 1 5 . 1 1 59 59 LEU H H 558 8.143 8.143 7.636 0.507 18467 3230 1 5 . 1 1 60 60 LEU N N 559 115.713 115.713 116.145 -0.432 18467 3231 1 5 . 1 1 60 60 LEU HA H 559 3.643 3.643 4.057 -0.414 18467 3232 1 5 . 1 1 60 60 LEU C C 559 178.818 178.818 178.671 0.147 18467 3233 1 5 . 1 1 60 60 LEU CA C 559 56.773 56.773 56.819 -0.046 18467 3234 1 5 . 1 1 60 60 LEU CB C 559 41.434 41.434 41.054 0.380 18467 3235 1 5 . 1 1 60 60 LEU H H 559 7.725 7.725 8.224 -0.499 18467 3236 1 5 . 1 1 61 61 GLY N N 560 103.312 103.312 106.750 -3.438 18467 3237 1 5 . 1 1 61 61 GLY C C 560 173.364 173.364 173.839 -0.475 18467 3238 1 5 . 1 1 61 61 GLY CA C 560 45.029 45.029 45.100 -0.071 18467 3239 1 5 . 1 1 61 61 GLY H H 560 7.311 7.311 7.509 -0.198 18467 3240 1 5 . 1 1 62 62 ASP N N 561 122.455 122.455 121.252 1.203 18467 3241 1 5 . 1 1 62 62 ASP HA H 561 4.847 4.847 4.803 0.044 18467 3242 1 5 . 1 1 62 62 ASP C C 561 173.909 173.909 175.777 -1.868 18467 3243 1 5 . 1 1 62 62 ASP CA C 561 52.302 52.302 52.611 -0.309 18467 3244 1 5 . 1 1 62 62 ASP CB C 561 41.362 41.362 42.364 -1.002 18467 3245 1 5 . 1 1 62 62 ASP H H 561 7.532 7.532 7.942 -0.410 18467 3246 1 5 . 1 1 63 63 ALA N N 562 125.643 125.643 130.585 -4.942 18467 3247 1 5 . 1 1 63 63 ALA HA H 562 4.019 4.019 4.027 -0.008 18467 3248 1 5 . 1 1 63 63 ALA C C 562 180.109 180.109 179.094 1.015 18467 3249 1 5 . 1 1 63 63 ALA CA C 562 55.660 55.660 54.967 0.693 18467 3250 1 5 . 1 1 63 63 ALA CB C 562 18.980 18.980 18.887 0.093 18467 3251 1 5 . 1 1 63 63 ALA H H 562 8.372 8.372 8.802 -0.430 18467 3252 1 5 . 1 1 64 64 LYS N N 563 117.354 117.354 118.647 -1.293 18467 3253 1 5 . 1 1 64 64 LYS HA H 563 4.116 4.116 4.013 0.103 18467 3254 1 5 . 1 1 64 64 LYS C C 563 179.293 179.293 178.824 0.469 18467 3255 1 5 . 1 1 64 64 LYS CA C 563 59.459 59.459 59.309 0.151 18467 3256 1 5 . 1 1 64 64 LYS CB C 563 32.165 32.165 31.861 0.304 18467 3257 1 5 . 1 1 64 64 LYS H H 563 8.111 8.111 8.462 -0.351 18467 3258 1 5 . 1 1 65 65 GLU N N 564 120.953 120.953 120.219 0.734 18467 3259 1 5 . 1 1 65 65 GLU HA H 564 4.207 4.207 4.096 0.111 18467 3260 1 5 . 1 1 65 65 GLU C C 564 179.679 179.679 178.802 0.877 18467 3261 1 5 . 1 1 65 65 GLU CA C 564 58.683 58.683 58.901 -0.218 18467 3262 1 5 . 1 1 65 65 GLU CB C 564 29.403 29.403 29.221 0.182 18467 3263 1 5 . 1 1 65 65 GLU H H 564 7.725 7.725 7.965 -0.240 18467 3264 1 5 . 1 1 66 66 LEU N N 565 120.534 120.534 120.165 0.369 18467 3265 1 5 . 1 1 66 66 LEU HA H 565 4.117 4.117 3.874 0.243 18467 3266 1 5 . 1 1 66 66 LEU C C 565 178.692 178.692 178.493 0.199 18467 3267 1 5 . 1 1 66 66 LEU CA C 565 57.883 57.883 57.514 0.369 18467 3268 1 5 . 1 1 66 66 LEU CB C 565 40.916 40.916 41.630 -0.714 18467 3269 1 5 . 1 1 66 66 LEU H H 565 8.668 8.668 7.856 0.812 18467 3270 1 5 . 1 1 67 67 ALA N N 566 119.170 119.170 121.107 -1.937 18467 3271 1 5 . 1 1 67 67 ALA HA H 566 3.904 3.904 3.829 0.075 18467 3272 1 5 . 1 1 67 67 ALA C C 566 179.042 179.042 179.608 -0.566 18467 3273 1 5 . 1 1 67 67 ALA CA C 566 55.916 55.916 55.424 0.492 18467 3274 1 5 . 1 1 67 67 ALA CB C 566 17.972 17.972 18.033 -0.061 18467 3275 1 5 . 1 1 67 67 ALA H H 566 8.474 8.474 8.534 -0.060 18467 3276 1 5 . 1 1 68 68 ASN N N 567 115.725 115.725 117.615 -1.890 18467 3277 1 5 . 1 1 68 68 ASN HA H 567 4.479 4.479 4.423 0.056 18467 3278 1 5 . 1 1 68 68 ASN CA C 567 57.014 57.014 55.961 1.054 18467 3279 1 5 . 1 1 68 68 ASN CB C 567 38.597 38.597 38.094 0.502 18467 3280 1 5 . 1 1 68 68 ASN H H 567 7.555 7.555 7.753 -0.198 18467 3281 1 5 . 1 1 69 69 ILE N N 568 118.231 118.231 119.985 -1.754 18467 3282 1 5 . 1 1 69 69 ILE HA H 568 4.125 4.125 3.880 0.245 18467 3283 1 5 . 1 1 69 69 ILE C C 568 179.766 179.766 178.401 1.365 18467 3284 1 5 . 1 1 69 69 ILE CA C 568 64.168 64.168 65.108 -0.940 18467 3285 1 5 . 1 1 69 69 ILE CB C 568 38.547 38.547 38.151 0.396 18467 3286 1 5 . 1 1 69 69 ILE H H 568 7.832 7.832 7.510 0.322 18467 3287 1 5 . 1 1 70 70 LEU N N 569 120.962 120.962 119.669 1.293 18467 3288 1 5 . 1 1 70 70 LEU HA H 569 4.114 4.114 3.799 0.315 18467 3289 1 5 . 1 1 70 70 LEU C C 569 179.633 179.633 179.758 -0.125 18467 3290 1 5 . 1 1 70 70 LEU CA C 569 58.463 58.463 57.313 1.150 18467 3291 1 5 . 1 1 70 70 LEU CB C 569 42.056 42.056 41.012 1.044 18467 3292 1 5 . 1 1 70 70 LEU H H 569 8.705 8.705 8.311 0.394 18467 3293 1 5 . 1 1 71 71 LYS N N 570 116.318 116.318 119.634 -3.316 18467 3294 1 5 . 1 1 71 71 LYS HA H 570 3.933 3.933 4.106 -0.173 18467 3295 1 5 . 1 1 71 71 LYS C C 570 177.691 177.691 178.760 -1.069 18467 3296 1 5 . 1 1 71 71 LYS CA C 570 60.750 60.750 58.989 1.760 18467 3297 1 5 . 1 1 71 71 LYS CB C 570 32.439 32.439 32.378 0.061 18467 3298 1 5 . 1 1 71 71 LYS H H 570 8.889 8.889 7.795 1.094 18467 3299 1 5 . 1 1 72 72 TYR N N 571 119.628 119.628 118.523 1.105 18467 3300 1 5 . 1 1 72 72 TYR HA H 571 4.596 4.596 4.570 0.026 18467 3301 1 5 . 1 1 72 72 TYR C C 571 171.958 171.958 175.067 -3.109 18467 3302 1 5 . 1 1 72 72 TYR CA C 571 59.022 59.022 57.843 1.179 18467 3303 1 5 . 1 1 72 72 TYR CB C 571 38.970 38.970 38.488 0.482 18467 3304 1 5 . 1 1 72 72 TYR H H 571 7.557 7.557 8.194 -0.637 18467 3305 1 5 . 1 1 73 73 HIS N N 572 108.692 108.692 115.692 -7.000 18467 3306 1 5 . 1 1 73 73 HIS HA H 572 4.206 4.206 4.495 -0.289 18467 3307 1 5 . 1 1 73 73 HIS C C 572 173.668 173.668 174.518 -0.850 18467 3308 1 5 . 1 1 73 73 HIS CA C 572 58.880 58.880 57.420 1.460 18467 3309 1 5 . 1 1 73 73 HIS CB C 572 28.164 28.164 30.572 -2.408 18467 3310 1 5 . 1 1 73 73 HIS H H 572 7.583 7.583 7.701 -0.118 18467 3311 1 5 . 1 1 74 74 ILE N N 573 117.585 117.585 119.236 -1.651 18467 3312 1 5 . 1 1 74 74 ILE HA H 573 5.236 5.236 4.740 0.496 18467 3313 1 5 . 1 1 74 74 ILE C C 573 175.634 175.634 175.236 0.398 18467 3314 1 5 . 1 1 74 74 ILE CA C 573 59.501 59.501 60.223 -0.722 18467 3315 1 5 . 1 1 74 74 ILE CB C 573 40.955 40.955 40.426 0.529 18467 3316 1 5 . 1 1 74 74 ILE H H 573 7.283 7.283 7.095 0.188 18467 3317 1 5 . 1 1 75 75 GLY N N 574 111.783 111.783 113.011 -1.228 18467 3318 1 5 . 1 1 75 75 GLY C C 574 173.914 173.914 174.667 -0.753 18467 3319 1 5 . 1 1 75 75 GLY CA C 574 43.960 43.960 43.867 0.093 18467 3320 1 5 . 1 1 75 75 GLY H H 574 10.218 10.218 9.062 1.156 18467 3321 1 5 . 1 1 76 76 ASP N N 575 120.537 120.537 121.465 -0.928 18467 3322 1 5 . 1 1 76 76 ASP HA H 575 4.759 4.759 4.564 0.195 18467 3323 1 5 . 1 1 76 76 ASP C C 575 174.756 174.756 175.730 -0.974 18467 3324 1 5 . 1 1 76 76 ASP CA C 575 53.707 53.707 55.785 -2.079 18467 3325 1 5 . 1 1 76 76 ASP CB C 575 41.029 41.029 41.651 -0.623 18467 3326 1 5 . 1 1 76 76 ASP H H 575 8.361 8.361 8.794 -0.433 18467 3327 1 5 . 1 1 77 77 GLU N N 576 114.270 114.270 115.343 -1.073 18467 3328 1 5 . 1 1 77 77 GLU HA H 576 4.472 4.472 4.517 -0.045 18467 3329 1 5 . 1 1 77 77 GLU CA C 576 54.500 54.500 53.970 0.530 18467 3330 1 5 . 1 1 77 77 GLU CB C 576 33.422 33.422 33.054 0.367 18467 3331 1 5 . 1 1 77 77 GLU H H 576 7.266 7.266 7.948 -0.682 18467 3332 1 5 . 1 1 78 78 ILE N N 577 120.961 120.961 123.047 -2.086 18467 3333 1 5 . 1 1 78 78 ILE HA H 577 3.570 3.570 4.392 -0.822 18467 3334 1 5 . 1 1 78 78 ILE C C 577 174.815 174.815 175.791 -0.976 18467 3335 1 5 . 1 1 78 78 ILE CA C 577 62.347 62.347 61.900 0.447 18467 3336 1 5 . 1 1 78 78 ILE CB C 577 38.390 38.390 37.836 0.554 18467 3337 1 5 . 1 1 78 78 ILE H H 577 8.514 8.514 8.731 -0.217 18467 3338 1 5 . 1 1 79 79 LEU N N 578 132.660 132.660 131.345 1.315 18467 3339 1 5 . 1 1 79 79 LEU HA H 578 4.779 4.779 4.631 0.148 18467 3340 1 5 . 1 1 79 79 LEU C C 578 174.161 174.161 175.662 -1.501 18467 3341 1 5 . 1 1 79 79 LEU CA C 578 53.881 53.881 53.387 0.494 18467 3342 1 5 . 1 1 79 79 LEU CB C 578 44.088 44.088 42.777 1.311 18467 3343 1 5 . 1 1 79 79 LEU H H 578 7.973 7.973 8.634 -0.661 18467 3344 1 5 . 1 1 80 80 VAL N N 579 118.506 118.506 119.722 -1.216 18467 3345 1 5 . 1 1 80 80 VAL HA H 579 4.767 4.767 4.400 0.367 18467 3346 1 5 . 1 1 80 80 VAL C C 579 178.415 178.415 176.736 1.679 18467 3347 1 5 . 1 1 80 80 VAL CA C 579 59.505 59.505 60.926 -1.421 18467 3348 1 5 . 1 1 80 80 VAL CB C 579 33.491 33.491 32.785 0.706 18467 3349 1 5 . 1 1 80 80 VAL H H 579 7.968 7.968 8.050 -0.082 18467 3350 1 5 . 1 1 81 81 SER N N 580 121.910 121.910 119.457 2.453 18467 3351 1 5 . 1 1 81 81 SER HA H 580 3.828 3.828 4.226 -0.398 18467 3352 1 5 . 1 1 81 81 SER C C 580 177.014 177.014 177.010 0.004 18467 3353 1 5 . 1 1 81 81 SER CA C 580 62.856 62.856 62.461 0.395 18467 3354 1 5 . 1 1 81 81 SER CB C 580 62.118 62.118 62.957 -0.839 18467 3355 1 5 . 1 1 81 81 SER H H 580 11.091 11.091 9.045 2.046 18467 3356 1 5 . 1 1 82 82 GLY N N 581 107.507 107.507 107.614 -0.107 18467 3357 1 5 . 1 1 82 82 GLY C C 581 174.753 174.753 175.135 -0.382 18467 3358 1 5 . 1 1 82 82 GLY CA C 581 45.933 45.933 45.806 0.127 18467 3359 1 5 . 1 1 82 82 GLY H H 581 8.283 8.283 8.704 -0.421 18467 3360 1 5 . 1 1 83 83 GLY N N 582 107.844 107.844 107.452 0.392 18467 3361 1 5 . 1 1 83 83 GLY C C 582 174.383 174.383 175.145 -0.762 18467 3362 1 5 . 1 1 83 83 GLY CA C 582 44.437 44.437 44.182 0.255 18467 3363 1 5 . 1 1 83 83 GLY H H 582 8.244 8.244 7.920 0.324 18467 3364 1 5 . 1 1 84 84 ILE N N 583 120.981 120.981 120.223 0.758 18467 3365 1 5 . 1 1 84 84 ILE HA H 583 3.820 3.820 4.053 -0.233 18467 3366 1 5 . 1 1 84 84 ILE C C 583 175.634 175.634 176.075 -0.441 18467 3367 1 5 . 1 1 84 84 ILE CA C 583 62.879 62.879 61.245 1.634 18467 3368 1 5 . 1 1 84 84 ILE CB C 583 39.028 39.028 38.083 0.945 18467 3369 1 5 . 1 1 84 84 ILE H H 583 7.307 7.307 7.253 0.054 18467 3370 1 5 . 1 1 85 85 GLY N N 584 112.078 112.078 106.345 5.733 18467 3371 1 5 . 1 1 85 85 GLY C C 584 173.113 173.113 174.585 -1.472 18467 3372 1 5 . 1 1 85 85 GLY CA C 584 45.639 45.639 45.512 0.127 18467 3373 1 5 . 1 1 85 85 GLY H H 584 7.953 7.953 7.560 0.393 18467 3374 1 5 . 1 1 86 86 ALA N N 585 125.109 125.109 128.535 -3.426 18467 3375 1 5 . 1 1 86 86 ALA HA H 585 4.312 4.312 3.880 0.432 18467 3376 1 5 . 1 1 86 86 ALA C C 585 177.336 177.336 175.237 2.099 18467 3377 1 5 . 1 1 86 86 ALA CA C 585 54.080 54.080 54.212 -0.132 18467 3378 1 5 . 1 1 86 86 ALA CB C 585 19.745 19.745 18.222 1.523 18467 3379 1 5 . 1 1 86 86 ALA H H 585 8.295 8.295 9.038 -0.743 18467 3380 1 5 . 1 1 87 87 LEU N N 586 118.488 118.488 118.803 -0.315 18467 3381 1 5 . 1 1 87 87 LEU HA H 586 4.716 4.716 5.430 -0.714 18467 3382 1 5 . 1 1 87 87 LEU C C 586 175.578 175.578 175.061 0.517 18467 3383 1 5 . 1 1 87 87 LEU CA C 586 56.100 56.100 54.552 1.548 18467 3384 1 5 . 1 1 87 87 LEU CB C 586 43.651 43.651 45.119 -1.468 18467 3385 1 5 . 1 1 87 87 LEU H H 586 7.801 7.801 7.885 -0.084 18467 3386 1 5 . 1 1 88 88 VAL N N 587 127.976 127.976 125.519 2.457 18467 3387 1 5 . 1 1 88 88 VAL HA H 587 4.308 4.308 4.488 -0.180 18467 3388 1 5 . 1 1 88 88 VAL C C 587 174.142 174.142 174.313 -0.171 18467 3389 1 5 . 1 1 88 88 VAL CA C 587 61.428 61.428 60.761 0.667 18467 3390 1 5 . 1 1 88 88 VAL CB C 587 35.784 35.784 35.376 0.408 18467 3391 1 5 . 1 1 88 88 VAL H H 587 9.510 9.510 9.099 0.411 18467 3392 1 5 . 1 1 89 89 ARG N N 588 125.359 125.359 126.005 -0.646 18467 3393 1 5 . 1 1 89 89 ARG HA H 588 5.257 5.257 5.425 -0.168 18467 3394 1 5 . 1 1 89 89 ARG C C 588 175.003 175.003 175.384 -0.381 18467 3395 1 5 . 1 1 89 89 ARG CA C 588 54.807 54.807 54.632 0.175 18467 3396 1 5 . 1 1 89 89 ARG H H 588 8.622 8.622 8.400 0.222 18467 3397 1 5 . 1 1 90 90 LEU N N 589 127.862 127.862 124.833 3.029 18467 3398 1 5 . 1 1 90 90 LEU HA H 589 4.572 4.572 4.701 -0.129 18467 3399 1 5 . 1 1 90 90 LEU C C 589 174.955 174.955 175.720 -0.765 18467 3400 1 5 . 1 1 90 90 LEU CA C 589 53.115 53.115 52.942 0.173 18467 3401 1 5 . 1 1 90 90 LEU CB C 589 46.021 46.021 45.967 0.054 18467 3402 1 5 . 1 1 90 90 LEU H H 589 8.830 8.830 8.744 0.086 18467 3403 1 5 . 1 1 91 91 LYS N N 590 129.215 129.215 126.857 2.358 18467 3404 1 5 . 1 1 91 91 LYS HA H 590 4.062 4.062 4.558 -0.496 18467 3405 1 5 . 1 1 91 91 LYS C C 590 174.635 174.635 176.945 -2.310 18467 3406 1 5 . 1 1 91 91 LYS CA C 590 58.307 58.307 56.131 2.176 18467 3407 1 5 . 1 1 91 91 LYS CB C 590 32.514 32.514 32.583 -0.069 18467 3408 1 5 . 1 1 91 91 LYS H H 590 9.429 9.429 8.919 0.510 18467 3409 1 5 . 1 1 92 92 SER N N 591 121.512 121.512 118.995 2.517 18467 3410 1 5 . 1 1 92 92 SER HA H 591 5.581 5.581 5.254 0.327 18467 3411 1 5 . 1 1 92 92 SER C C 591 178.007 178.007 175.892 2.115 18467 3412 1 5 . 1 1 92 92 SER CA C 591 58.234 58.234 56.684 1.550 18467 3413 1 5 . 1 1 92 92 SER CB C 591 67.287 67.287 65.724 1.563 18467 3414 1 5 . 1 1 92 92 SER H H 591 7.995 7.995 8.646 -0.651 18467 3415 1 5 . 1 1 93 93 LEU N N 592 121.124 121.124 119.915 1.209 18467 3416 1 5 . 1 1 93 93 LEU HA H 592 4.300 4.300 4.330 -0.030 18467 3417 1 5 . 1 1 93 93 LEU C C 592 178.518 178.518 178.660 -0.142 18467 3418 1 5 . 1 1 93 93 LEU CA C 592 57.245 57.245 56.922 0.323 18467 3419 1 5 . 1 1 93 93 LEU CB C 592 41.313 41.313 42.084 -0.771 18467 3420 1 5 . 1 1 93 93 LEU H H 592 9.336 9.336 8.399 0.937 18467 3421 1 5 . 1 1 94 94 GLN N N 593 118.739 118.739 117.528 1.211 18467 3422 1 5 . 1 1 94 94 GLN HA H 593 4.249 4.249 4.107 0.142 18467 3423 1 5 . 1 1 94 94 GLN C C 593 176.082 176.082 177.177 -1.095 18467 3424 1 5 . 1 1 94 94 GLN CA C 593 56.540 56.540 57.604 -1.064 18467 3425 1 5 . 1 1 94 94 GLN CB C 593 27.654 27.654 29.651 -1.996 18467 3426 1 5 . 1 1 94 94 GLN H H 593 7.491 7.491 7.958 -0.467 18467 3427 1 5 . 1 1 95 95 GLY N N 594 109.382 109.382 105.192 4.190 18467 3428 1 5 . 1 1 95 95 GLY C C 594 174.393 174.393 174.250 0.143 18467 3429 1 5 . 1 1 95 95 GLY CA C 594 45.457 45.457 44.693 0.764 18467 3430 1 5 . 1 1 95 95 GLY H H 594 7.631 7.631 7.895 -0.264 18467 3431 1 5 . 1 1 96 96 ASP N N 595 121.087 121.087 121.757 -0.670 18467 3432 1 5 . 1 1 96 96 ASP HA H 595 4.863 4.863 4.847 0.016 18467 3433 1 5 . 1 1 96 96 ASP C C 595 177.273 177.273 174.754 2.519 18467 3434 1 5 . 1 1 96 96 ASP CA C 595 54.520 54.520 53.361 1.159 18467 3435 1 5 . 1 1 96 96 ASP CB C 595 41.277 41.277 42.477 -1.200 18467 3436 1 5 . 1 1 96 96 ASP H H 595 8.650 8.650 8.215 0.435 18467 3437 1 5 . 1 1 97 97 LYS N N 596 119.713 119.713 118.437 1.276 18467 3438 1 5 . 1 1 97 97 LYS HA H 596 5.025 5.025 4.834 0.191 18467 3439 1 5 . 1 1 97 97 LYS C C 596 176.566 176.566 176.024 0.542 18467 3440 1 5 . 1 1 97 97 LYS CA C 596 56.274 56.274 54.987 1.286 18467 3441 1 5 . 1 1 97 97 LYS CB C 596 33.771 33.771 33.921 -0.150 18467 3442 1 5 . 1 1 97 97 LYS H H 596 9.028 9.028 8.512 0.516 18467 3443 1 5 . 1 1 98 98 LEU N N 597 125.754 125.754 124.934 0.820 18467 3444 1 5 . 1 1 98 98 LEU HA H 597 4.398 4.398 4.850 -0.452 18467 3445 1 5 . 1 1 98 98 LEU C C 597 176.144 176.144 176.354 -0.210 18467 3446 1 5 . 1 1 98 98 LEU CA C 597 53.899 53.899 54.213 -0.314 18467 3447 1 5 . 1 1 98 98 LEU CB C 597 45.148 45.148 41.900 3.248 18467 3448 1 5 . 1 1 98 98 LEU H H 597 9.336 9.336 9.311 0.025 18467 3449 1 5 . 1 1 99 99 GLU N N 598 121.101 121.101 127.103 -6.002 18467 3450 1 5 . 1 1 99 99 GLU HA H 598 4.662 4.662 4.511 0.151 18467 3451 1 5 . 1 1 99 99 GLU C C 598 175.132 175.132 175.279 -0.147 18467 3452 1 5 . 1 1 99 99 GLU CA C 598 55.714 55.714 55.050 0.664 18467 3453 1 5 . 1 1 99 99 GLU CB C 598 30.542 30.542 29.685 0.857 18467 3454 1 5 . 1 1 99 99 GLU H H 598 8.368 8.368 9.084 -0.716 18467 3455 1 5 . 1 1 100 100 VAL N N 599 130.595 130.595 127.394 3.201 18467 3456 1 5 . 1 1 100 100 VAL HA H 599 5.046 5.046 4.350 0.696 18467 3457 1 5 . 1 1 100 100 VAL C C 599 173.759 173.759 174.603 -0.844 18467 3458 1 5 . 1 1 100 100 VAL CA C 599 61.081 61.081 61.220 -0.139 18467 3459 1 5 . 1 1 100 100 VAL CB C 599 32.873 32.873 33.087 -0.214 18467 3460 1 5 . 1 1 100 100 VAL H H 599 9.337 9.337 7.971 1.366 18467 3461 1 5 . 1 1 101 101 SER N N 600 119.887 119.887 121.852 -1.965 18467 3462 1 5 . 1 1 101 101 SER HA H 600 4.943 4.943 5.043 -0.100 18467 3463 1 5 . 1 1 101 101 SER C C 600 171.934 171.934 172.900 -0.966 18467 3464 1 5 . 1 1 101 101 SER CA C 600 56.540 56.540 56.813 -0.273 18467 3465 1 5 . 1 1 101 101 SER CB C 600 67.405 67.405 64.450 2.955 18467 3466 1 5 . 1 1 101 101 SER H H 600 9.033 9.033 8.859 0.174 18467 3467 1 5 . 1 1 102 102 LEU N N 601 123.007 123.007 130.392 -7.385 18467 3468 1 5 . 1 1 102 102 LEU HA H 601 5.047 5.047 5.041 0.006 18467 3469 1 5 . 1 1 102 102 LEU C C 601 175.767 175.767 174.349 1.418 18467 3470 1 5 . 1 1 102 102 LEU CA C 601 54.324 54.324 54.029 0.295 18467 3471 1 5 . 1 1 102 102 LEU CB C 601 45.374 45.374 44.724 0.650 18467 3472 1 5 . 1 1 102 102 LEU H H 601 7.930 7.930 8.457 -0.527 18467 3473 1 5 . 1 1 103 103 LYS N N 602 126.480 126.480 127.060 -0.580 18467 3474 1 5 . 1 1 103 103 LYS HA H 602 4.457 4.457 4.475 -0.018 18467 3475 1 5 . 1 1 103 103 LYS CA C 602 55.707 55.707 56.395 -0.688 18467 3476 1 5 . 1 1 103 103 LYS CB C 602 35.032 35.032 34.878 0.154 18467 3477 1 5 . 1 1 103 103 LYS H H 602 8.335 8.335 8.950 -0.615 18467 3478 1 5 . 1 1 104 104 ASN HA H 603 4.296 4.296 4.472 -0.176 18467 3479 1 5 . 1 1 104 104 ASN C C 603 174.156 174.156 174.159 -0.003 18467 3480 1 5 . 1 1 104 104 ASN CA C 603 54.724 54.724 54.165 0.559 18467 3481 1 5 . 1 1 104 104 ASN CB C 603 37.168 37.168 36.439 0.729 18467 3482 1 5 . 1 1 105 105 ASN N N 604 108.763 108.763 110.418 -1.655 18467 3483 1 5 . 1 1 105 105 ASN HA H 604 4.167 4.167 4.283 -0.116 18467 3484 1 5 . 1 1 105 105 ASN C C 604 173.754 173.754 173.737 0.017 18467 3485 1 5 . 1 1 105 105 ASN CA C 604 55.146 55.146 54.287 0.859 18467 3486 1 5 . 1 1 105 105 ASN CB C 604 38.249 38.249 38.174 0.075 18467 3487 1 5 . 1 1 105 105 ASN H H 604 8.682 8.682 8.517 0.165 18467 3488 1 5 . 1 1 106 106 VAL N N 605 121.612 121.612 119.495 2.117 18467 3489 1 5 . 1 1 106 106 VAL HA H 605 4.285 4.285 4.280 0.005 18467 3490 1 5 . 1 1 106 106 VAL C C 605 176.332 176.332 174.849 1.483 18467 3491 1 5 . 1 1 106 106 VAL CA C 605 62.112 62.112 61.432 0.680 18467 3492 1 5 . 1 1 106 106 VAL CB C 605 34.425 34.425 33.140 1.285 18467 3493 1 5 . 1 1 106 106 VAL H H 605 7.906 7.906 7.774 0.132 18467 3494 1 5 . 1 1 107 107 VAL N N 606 133.233 133.233 129.316 3.917 18467 3495 1 5 . 1 1 107 107 VAL HA H 606 4.615 4.615 5.007 -0.392 18467 3496 1 5 . 1 1 107 107 VAL C C 606 174.697 174.697 174.705 -0.008 18467 3497 1 5 . 1 1 107 107 VAL CA C 606 61.712 61.712 59.667 2.045 18467 3498 1 5 . 1 1 107 107 VAL CB C 606 32.254 32.254 33.967 -1.713 18467 3499 1 5 . 1 1 107 107 VAL H H 606 9.422 9.422 8.674 0.748 18467 3500 1 5 . 1 1 108 108 SER N N 607 120.829 120.829 124.955 -4.126 18467 3501 1 5 . 1 1 108 108 SER HA H 607 5.360 5.360 5.044 0.316 18467 3502 1 5 . 1 1 108 108 SER C C 607 171.938 171.938 172.852 -0.914 18467 3503 1 5 . 1 1 108 108 SER CA C 607 57.031 57.031 57.239 -0.208 18467 3504 1 5 . 1 1 108 108 SER CB C 607 66.490 66.490 64.755 1.735 18467 3505 1 5 . 1 1 108 108 SER H H 607 9.113 9.113 8.988 0.125 18467 3506 1 5 . 1 1 109 109 VAL N N 608 121.130 121.130 125.418 -4.288 18467 3507 1 5 . 1 1 109 109 VAL HA H 608 4.797 4.797 4.437 0.360 18467 3508 1 5 . 1 1 109 109 VAL C C 608 173.930 173.930 174.891 -0.961 18467 3509 1 5 . 1 1 109 109 VAL CA C 608 57.351 57.351 59.676 -2.325 18467 3510 1 5 . 1 1 109 109 VAL CB C 608 33.964 33.964 33.020 0.944 18467 3511 1 5 . 1 1 109 109 VAL H H 608 9.120 9.120 8.896 0.224 18467 3512 1 5 . 1 1 110 110 ASN N N 609 128.284 128.284 126.983 1.301 18467 3513 1 5 . 1 1 110 110 ASN HA H 609 4.271 4.271 4.337 -0.066 18467 3514 1 5 . 1 1 110 110 ASN C C 609 175.369 175.369 174.597 0.772 18467 3515 1 5 . 1 1 110 110 ASN CA C 609 54.004 54.004 54.639 -0.635 18467 3516 1 5 . 1 1 110 110 ASN CB C 609 35.927 35.927 36.148 -0.222 18467 3517 1 5 . 1 1 110 110 ASN H H 609 9.777 9.777 9.130 0.647 18467 3518 1 5 . 1 1 111 111 LYS N N 610 107.711 107.711 110.402 -2.691 18467 3519 1 5 . 1 1 111 111 LYS HA H 610 3.660 3.660 3.944 -0.284 18467 3520 1 5 . 1 1 111 111 LYS C C 610 175.573 175.573 175.470 0.103 18467 3521 1 5 . 1 1 111 111 LYS CA C 610 58.404 58.404 58.461 -0.057 18467 3522 1 5 . 1 1 111 111 LYS CB C 610 30.549 30.549 31.732 -1.183 18467 3523 1 5 . 1 1 111 111 LYS H H 610 8.290 8.290 8.076 0.214 18467 3524 1 5 . 1 1 112 112 GLU N N 611 125.822 125.822 120.572 5.250 18467 3525 1 5 . 1 1 112 112 GLU HA H 611 4.763 4.763 4.754 0.009 18467 3526 1 5 . 1 1 112 112 GLU CA C 611 52.981 52.981 53.148 -0.167 18467 3527 1 5 . 1 1 112 112 GLU CB C 611 29.509 29.509 29.622 -0.113 18467 3528 1 5 . 1 1 112 112 GLU H H 611 8.595 8.595 7.549 1.046 18467 3529 1 5 . 1 1 113 113 PRO HA H 612 4.682 4.682 4.562 0.120 18467 3530 1 5 . 1 1 113 113 PRO C C 612 177.310 177.310 176.178 1.132 18467 3531 1 5 . 1 1 113 113 PRO CA C 612 62.649 62.649 62.925 -0.276 18467 3532 1 5 . 1 1 113 113 PRO CB C 612 32.139 32.139 32.111 0.028 18467 3533 1 5 . 1 1 114 114 VAL N N 613 124.773 124.773 122.695 2.078 18467 3534 1 5 . 1 1 114 114 VAL HA H 613 4.274 4.274 4.175 0.099 18467 3535 1 5 . 1 1 114 114 VAL C C 613 176.558 176.558 176.099 0.459 18467 3536 1 5 . 1 1 114 114 VAL CA C 613 62.350 62.350 61.528 0.822 18467 3537 1 5 . 1 1 114 114 VAL CB C 613 32.473 32.473 32.316 0.157 18467 3538 1 5 . 1 1 114 114 VAL H H 613 9.214 9.214 8.719 0.495 18467 3539 1 5 . 1 1 115 115 ALA N N 614 132.583 132.583 132.370 0.213 18467 3540 1 5 . 1 1 115 115 ALA HA H 614 4.321 4.321 4.417 -0.096 18467 3541 1 5 . 1 1 115 115 ALA C C 614 178.354 178.354 177.479 0.875 18467 3542 1 5 . 1 1 115 115 ALA CA C 614 53.995 53.995 53.535 0.460 18467 3543 1 5 . 1 1 115 115 ALA CB C 614 19.616 19.616 19.785 -0.169 18467 3544 1 5 . 1 1 115 115 ALA H H 614 8.935 8.935 9.137 -0.202 18467 3545 1 5 . 1 1 116 116 GLU N N 615 115.172 115.172 117.661 -2.489 18467 3546 1 5 . 1 1 116 116 GLU HA H 615 4.866 4.866 4.888 -0.022 18467 3547 1 5 . 1 1 116 116 GLU CA C 615 53.432 53.432 52.493 0.939 18467 3548 1 5 . 1 1 116 116 GLU CB C 615 31.554 31.554 30.204 1.350 18467 3549 1 5 . 1 1 116 116 GLU H H 615 6.867 6.867 8.066 -1.199 18467 3550 1 5 . 1 1 117 117 PRO HA H 616 5.651 5.651 4.552 1.099 18467 3551 1 5 . 1 1 117 117 PRO C C 616 177.099 177.099 177.007 0.092 18467 3552 1 5 . 1 1 117 117 PRO CA C 616 61.960 61.960 63.110 -1.150 18467 3553 1 5 . 1 1 117 117 PRO CB C 616 33.618 33.618 32.757 0.861 18467 3554 1 5 . 1 1 118 118 ASP N N 617 114.290 114.290 117.980 -3.690 18467 3555 1 5 . 1 1 118 118 ASP HA H 617 3.881 3.881 4.178 -0.297 18467 3556 1 5 . 1 1 118 118 ASP C C 617 174.967 174.967 176.354 -1.387 18467 3557 1 5 . 1 1 118 118 ASP CA C 617 54.921 54.921 55.308 -0.387 18467 3558 1 5 . 1 1 118 118 ASP CB C 617 37.857 37.857 40.542 -2.685 18467 3559 1 5 . 1 1 118 118 ASP H H 617 9.727 9.727 7.929 1.798 18467 3560 1 5 . 1 1 119 119 ILE N N 618 121.048 121.048 120.113 0.935 18467 3561 1 5 . 1 1 119 119 ILE HA H 618 4.037 4.037 4.179 -0.142 18467 3562 1 5 . 1 1 119 119 ILE C C 618 175.869 175.869 175.336 0.533 18467 3563 1 5 . 1 1 119 119 ILE CA C 618 62.807 62.807 60.299 2.508 18467 3564 1 5 . 1 1 119 119 ILE CB C 618 36.618 36.618 37.248 -0.630 18467 3565 1 5 . 1 1 119 119 ILE H H 618 8.750 8.750 8.243 0.507 18467 3566 1 5 . 1 1 120 120 MET N N 619 125.674 125.674 126.489 -0.815 18467 3567 1 5 . 1 1 120 120 MET HA H 619 4.601 4.601 4.376 0.225 18467 3568 1 5 . 1 1 120 120 MET C C 619 174.817 174.817 175.392 -0.575 18467 3569 1 5 . 1 1 120 120 MET CA C 619 54.936 54.936 55.513 -0.577 18467 3570 1 5 . 1 1 120 120 MET CB C 619 31.313 31.313 33.511 -2.198 18467 3571 1 5 . 1 1 120 120 MET H H 619 8.080 8.080 8.172 -0.092 18467 3572 1 5 . 1 1 121 121 ALA N N 620 122.849 122.849 122.074 0.775 18467 3573 1 5 . 1 1 121 121 ALA HA H 620 4.902 4.902 4.729 0.173 18467 3574 1 5 . 1 1 121 121 ALA C C 620 177.908 177.908 178.013 -0.105 18467 3575 1 5 . 1 1 121 121 ALA CA C 620 49.986 49.986 50.652 -0.666 18467 3576 1 5 . 1 1 121 121 ALA CB C 620 23.115 23.115 21.085 2.030 18467 3577 1 5 . 1 1 121 121 ALA H H 620 8.377 8.377 8.569 -0.192 18467 3578 1 5 . 1 1 122 122 THR N N 621 111.104 111.104 111.734 -0.630 18467 3579 1 5 . 1 1 122 122 THR HA H 621 4.051 4.051 4.110 -0.059 18467 3580 1 5 . 1 1 122 122 THR C C 621 176.320 176.320 175.488 0.832 18467 3581 1 5 . 1 1 122 122 THR CA C 621 64.524 64.524 64.969 -0.445 18467 3582 1 5 . 1 1 122 122 THR CB C 621 68.391 68.391 69.086 -0.695 18467 3583 1 5 . 1 1 122 122 THR H H 621 9.183 9.183 8.795 0.388 18467 3584 1 5 . 1 1 123 123 ASN N N 622 117.445 117.445 117.810 -0.365 18467 3585 1 5 . 1 1 123 123 ASN HA H 622 5.030 5.030 4.944 0.086 18467 3586 1 5 . 1 1 123 123 ASN C C 622 173.263 173.263 174.541 -1.278 18467 3587 1 5 . 1 1 123 123 ASN CA C 622 51.203 51.203 51.682 -0.479 18467 3588 1 5 . 1 1 123 123 ASN CB C 622 37.076 37.076 38.614 -1.538 18467 3589 1 5 . 1 1 123 123 ASN H H 622 7.969 7.969 8.310 -0.341 18467 3590 1 5 . 1 1 124 124 GLY N N 623 102.705 102.705 107.148 -4.443 18467 3591 1 5 . 1 1 124 124 GLY C C 623 169.925 169.925 171.871 -1.946 18467 3592 1 5 . 1 1 124 124 GLY CA C 623 46.709 46.709 45.364 1.345 18467 3593 1 5 . 1 1 124 124 GLY H H 623 6.921 6.921 7.205 -0.284 18467 3594 1 5 . 1 1 125 125 VAL N N 624 119.913 119.913 119.244 0.669 18467 3595 1 5 . 1 1 125 125 VAL HA H 624 4.877 4.877 4.566 0.311 18467 3596 1 5 . 1 1 125 125 VAL C C 624 170.887 170.887 172.882 -1.995 18467 3597 1 5 . 1 1 125 125 VAL CA C 624 58.527 58.527 60.617 -2.091 18467 3598 1 5 . 1 1 125 125 VAL CB C 624 34.967 34.967 35.485 -0.518 18467 3599 1 5 . 1 1 125 125 VAL H H 624 8.485 8.485 8.117 0.368 18467 3600 1 5 . 1 1 126 126 VAL N N 625 127.599 127.599 125.623 1.976 18467 3601 1 5 . 1 1 126 126 VAL HA H 625 4.619 4.619 5.032 -0.413 18467 3602 1 5 . 1 1 126 126 VAL C C 625 172.882 172.882 174.300 -1.418 18467 3603 1 5 . 1 1 126 126 VAL CA C 625 60.534 60.534 59.822 0.712 18467 3604 1 5 . 1 1 126 126 VAL CB C 625 34.184 34.184 34.935 -0.752 18467 3605 1 5 . 1 1 126 126 VAL H H 625 9.106 9.106 8.790 0.316 18467 3606 1 5 . 1 1 127 127 HIS N N 626 124.292 124.292 124.635 -0.343 18467 3607 1 5 . 1 1 127 127 HIS HA H 626 5.494 5.494 5.004 0.490 18467 3608 1 5 . 1 1 127 127 HIS C C 626 175.629 175.629 174.712 0.917 18467 3609 1 5 . 1 1 127 127 HIS CA C 626 53.247 53.247 54.177 -0.930 18467 3610 1 5 . 1 1 127 127 HIS CB C 626 34.369 34.369 32.387 1.982 18467 3611 1 5 . 1 1 127 127 HIS H H 626 8.754 8.754 8.423 0.331 18467 3612 1 5 . 1 1 128 128 VAL N N 627 124.493 124.493 127.094 -2.601 18467 3613 1 5 . 1 1 128 128 VAL HA H 627 4.512 4.512 4.421 0.091 18467 3614 1 5 . 1 1 128 128 VAL C C 627 176.349 176.349 175.562 0.787 18467 3615 1 5 . 1 1 128 128 VAL CA C 627 64.730 64.730 64.167 0.563 18467 3616 1 5 . 1 1 128 128 VAL CB C 627 32.980 32.980 31.628 1.352 18467 3617 1 5 . 1 1 128 128 VAL H H 627 8.812 8.812 8.713 0.099 18467 3618 1 5 . 1 1 129 129 ILE N N 628 121.077 121.077 122.363 -1.286 18467 3619 1 5 . 1 1 129 129 ILE HA H 628 5.118 5.118 4.865 0.253 18467 3620 1 5 . 1 1 129 129 ILE C C 628 175.190 175.190 176.505 -1.315 18467 3621 1 5 . 1 1 129 129 ILE CA C 628 60.217 60.217 59.353 0.864 18467 3622 1 5 . 1 1 129 129 ILE CB C 628 42.539 42.539 40.741 1.798 18467 3623 1 5 . 1 1 129 129 ILE H H 628 8.629 8.629 9.088 -0.459 18467 3624 1 5 . 1 1 130 130 THR N N 629 108.406 108.406 111.442 -3.036 18467 3625 1 5 . 1 1 130 130 THR HA H 629 4.671 4.671 4.420 0.251 18467 3626 1 5 . 1 1 130 130 THR C C 629 172.980 172.980 174.106 -1.126 18467 3627 1 5 . 1 1 130 130 THR CA C 629 61.381 61.381 62.189 -0.808 18467 3628 1 5 . 1 1 130 130 THR CB C 629 68.784 68.784 69.446 -0.662 18467 3629 1 5 . 1 1 130 130 THR H H 629 9.368 9.368 8.420 0.948 18467 3630 1 5 . 1 1 131 131 ASN N N 630 117.533 117.533 117.255 0.278 18467 3631 1 5 . 1 1 131 131 ASN HA H 630 4.754 4.754 4.985 -0.231 18467 3632 1 5 . 1 1 131 131 ASN C C 630 172.493 172.493 173.460 -0.967 18467 3633 1 5 . 1 1 131 131 ASN CA C 630 52.575 52.575 52.429 0.146 18467 3634 1 5 . 1 1 131 131 ASN CB C 630 43.079 43.079 42.120 0.959 18467 3635 1 5 . 1 1 131 131 ASN H H 630 7.355 7.355 7.678 -0.323 18467 3636 1 5 . 1 1 132 132 VAL N N 631 117.886 117.886 119.890 -2.004 18467 3637 1 5 . 1 1 132 132 VAL HA H 631 3.914 3.914 4.350 -0.436 18467 3638 1 5 . 1 1 132 132 VAL C C 631 176.909 176.909 175.418 1.491 18467 3639 1 5 . 1 1 132 132 VAL CA C 631 62.424 62.424 61.681 0.743 18467 3640 1 5 . 1 1 132 132 VAL CB C 631 32.453 32.453 33.035 -0.582 18467 3641 1 5 . 1 1 132 132 VAL H H 631 8.087 8.087 8.548 -0.461 18467 3642 1 5 . 1 1 133 133 LEU N N 632 130.948 130.948 123.408 7.540 18467 3643 1 5 . 1 1 133 133 LEU HA H 632 4.220 4.220 4.632 -0.412 18467 3644 1 5 . 1 1 133 133 LEU CA C 632 55.468 55.468 53.930 1.538 18467 3645 1 5 . 1 1 133 133 LEU H H 632 10.937 10.937 8.664 2.273 18467 3646 1 5 . 1 1 134 134 GLN N N 633 118.157 118.157 121.363 -3.206 18467 3647 1 5 . 1 1 134 134 GLN HA H 633 4.361 4.361 4.588 -0.227 18467 3648 1 5 . 1 1 134 134 GLN CA C 633 55.043 55.043 55.538 -0.495 18467 3649 1 5 . 1 1 134 134 GLN CB C 633 31.449 31.449 32.010 -0.560 18467 3650 1 5 . 1 1 134 134 GLN H H 633 7.992 7.992 8.457 -0.465 18467 3651 1 6 . 1 1 3 3 MET C C 502 175.861 175.861 174.664 1.197 18467 3652 1 6 . 1 1 3 3 MET CA C 502 55.905 55.905 55.198 0.707 18467 3653 1 6 . 1 1 3 3 MET CB C 502 34.158 34.158 34.642 -0.485 18467 3654 1 6 . 1 1 4 4 GLY N N 503 111.094 111.094 110.827 0.267 18467 3655 1 6 . 1 1 4 4 GLY C C 503 173.998 173.998 173.547 0.451 18467 3656 1 6 . 1 1 4 4 GLY CA C 503 44.482 44.482 45.289 -0.807 18467 3657 1 6 . 1 1 4 4 GLY H H 503 8.376 8.376 8.642 -0.266 18467 3658 1 6 . 1 1 5 5 THR N N 504 111.539 111.539 113.667 -2.128 18467 3659 1 6 . 1 1 5 5 THR HA H 504 4.440 4.440 4.652 -0.212 18467 3660 1 6 . 1 1 5 5 THR C C 504 176.360 176.360 175.574 0.786 18467 3661 1 6 . 1 1 5 5 THR CA C 504 61.986 61.986 59.770 2.216 18467 3662 1 6 . 1 1 5 5 THR CB C 504 73.034 73.034 72.380 0.654 18467 3663 1 6 . 1 1 5 5 THR H H 504 9.233 9.233 7.849 1.384 18467 3664 1 6 . 1 1 6 6 VAL N N 505 118.212 118.212 121.169 -2.957 18467 3665 1 6 . 1 1 6 6 VAL HA H 505 3.250 3.250 3.578 -0.328 18467 3666 1 6 . 1 1 6 6 VAL C C 505 177.264 177.264 177.899 -0.635 18467 3667 1 6 . 1 1 6 6 VAL CA C 505 67.200 67.200 67.618 -0.418 18467 3668 1 6 . 1 1 6 6 VAL CB C 505 31.657 31.657 31.438 0.219 18467 3669 1 6 . 1 1 6 6 VAL H H 505 9.918 9.918 9.312 0.606 18467 3670 1 6 . 1 1 7 7 MET N N 506 114.107 114.107 117.714 -3.607 18467 3671 1 6 . 1 1 7 7 MET HA H 506 4.361 4.361 4.095 0.266 18467 3672 1 6 . 1 1 7 7 MET C C 506 178.097 178.097 178.230 -0.133 18467 3673 1 6 . 1 1 7 7 MET CA C 506 56.075 56.075 58.000 -1.925 18467 3674 1 6 . 1 1 7 7 MET CB C 506 30.910 30.910 31.375 -0.466 18467 3675 1 6 . 1 1 7 7 MET H H 506 6.975 6.975 7.564 -0.589 18467 3676 1 6 . 1 1 8 8 ASP N N 507 120.374 120.374 119.618 0.756 18467 3677 1 6 . 1 1 8 8 ASP HA H 507 4.255 4.255 4.467 -0.212 18467 3678 1 6 . 1 1 8 8 ASP C C 507 179.824 179.824 178.634 1.190 18467 3679 1 6 . 1 1 8 8 ASP CA C 507 58.088 58.088 57.359 0.729 18467 3680 1 6 . 1 1 8 8 ASP CB C 507 40.526 40.526 40.658 -0.132 18467 3681 1 6 . 1 1 8 8 ASP H H 507 7.430 7.430 7.796 -0.366 18467 3682 1 6 . 1 1 9 9 VAL N N 508 121.326 121.326 120.160 1.166 18467 3683 1 6 . 1 1 9 9 VAL HA H 508 3.567 3.567 3.714 -0.147 18467 3684 1 6 . 1 1 9 9 VAL C C 508 179.115 179.115 177.307 1.808 18467 3685 1 6 . 1 1 9 9 VAL CA C 508 66.131 66.131 66.957 -0.826 18467 3686 1 6 . 1 1 9 9 VAL CB C 508 31.666 31.666 31.850 -0.184 18467 3687 1 6 . 1 1 9 9 VAL H H 508 8.174 8.174 8.218 -0.044 18467 3688 1 6 . 1 1 10 10 LEU N N 509 117.258 117.258 116.608 0.650 18467 3689 1 6 . 1 1 10 10 LEU HA H 509 4.039 4.039 4.470 -0.431 18467 3690 1 6 . 1 1 10 10 LEU C C 509 179.091 179.091 179.692 -0.601 18467 3691 1 6 . 1 1 10 10 LEU CA C 509 57.372 57.372 56.881 0.491 18467 3692 1 6 . 1 1 10 10 LEU CB C 509 41.839 41.839 41.410 0.429 18467 3693 1 6 . 1 1 10 10 LEU H H 509 7.896 7.896 7.434 0.462 18467 3694 1 6 . 1 1 11 11 LYS N N 510 114.824 114.824 121.309 -6.485 18467 3695 1 6 . 1 1 11 11 LYS HA H 510 3.959 3.959 4.123 -0.164 18467 3696 1 6 . 1 1 11 11 LYS C C 510 178.021 178.021 178.387 -0.366 18467 3697 1 6 . 1 1 11 11 LYS CA C 510 59.047 59.047 58.943 0.104 18467 3698 1 6 . 1 1 11 11 LYS CB C 510 32.771 32.771 32.213 0.558 18467 3699 1 6 . 1 1 11 11 LYS H H 510 8.377 8.377 8.384 -0.007 18467 3700 1 6 . 1 1 12 12 GLY N N 511 104.574 104.574 105.434 -0.860 18467 3701 1 6 . 1 1 12 12 GLY C C 511 172.564 172.564 173.780 -1.216 18467 3702 1 6 . 1 1 12 12 GLY CA C 511 45.442 45.442 44.635 0.808 18467 3703 1 6 . 1 1 12 12 GLY H H 511 7.590 7.590 7.884 -0.294 18467 3704 1 6 . 1 1 13 13 ASP N N 512 120.194 120.194 120.413 -0.219 18467 3705 1 6 . 1 1 13 13 ASP HA H 512 4.992 4.992 4.778 0.214 18467 3706 1 6 . 1 1 13 13 ASP CA C 512 52.469 52.469 53.318 -0.848 18467 3707 1 6 . 1 1 13 13 ASP CB C 512 43.985 43.985 43.594 0.390 18467 3708 1 6 . 1 1 13 13 ASP H H 512 7.074 7.074 7.540 -0.466 18467 3709 1 6 . 1 1 14 14 ASN HA H 513 4.447 4.447 4.640 -0.193 18467 3710 1 6 . 1 1 14 14 ASN C C 513 176.709 176.709 177.670 -0.961 18467 3711 1 6 . 1 1 14 14 ASN CA C 513 55.819 55.819 55.356 0.463 18467 3712 1 6 . 1 1 14 14 ASN CB C 513 38.100 38.100 39.011 -0.911 18467 3713 1 6 . 1 1 15 15 ARG N N 514 118.980 118.980 118.347 0.633 18467 3714 1 6 . 1 1 15 15 ARG HA H 514 4.139 4.139 4.285 -0.146 18467 3715 1 6 . 1 1 15 15 ARG C C 514 176.109 176.109 176.492 -0.383 18467 3716 1 6 . 1 1 15 15 ARG CA C 514 58.061 58.061 57.963 0.098 18467 3717 1 6 . 1 1 15 15 ARG CB C 514 30.691 30.691 29.969 0.722 18467 3718 1 6 . 1 1 15 15 ARG H H 514 8.573 8.573 8.548 0.025 18467 3719 1 6 . 1 1 16 16 PHE N N 515 113.150 113.150 115.520 -2.370 18467 3720 1 6 . 1 1 16 16 PHE HA H 515 5.793 5.793 5.103 0.691 18467 3721 1 6 . 1 1 16 16 PHE C C 515 176.420 176.420 176.223 0.197 18467 3722 1 6 . 1 1 16 16 PHE CA C 515 55.966 55.966 55.399 0.567 18467 3723 1 6 . 1 1 16 16 PHE CB C 515 38.644 38.644 38.517 0.127 18467 3724 1 6 . 1 1 16 16 PHE H H 515 7.592 7.592 7.483 0.109 18467 3725 1 6 . 1 1 17 17 SER N N 516 116.649 116.649 117.728 -1.079 18467 3726 1 6 . 1 1 17 17 SER HA H 516 4.062 4.062 4.270 -0.208 18467 3727 1 6 . 1 1 17 17 SER C C 516 178.631 178.631 176.240 2.391 18467 3728 1 6 . 1 1 17 17 SER CA C 516 62.695 62.695 62.504 0.191 18467 3729 1 6 . 1 1 17 17 SER CB C 516 62.147 62.147 63.334 -1.187 18467 3730 1 6 . 1 1 17 17 SER H H 516 7.527 7.527 7.639 -0.112 18467 3731 1 6 . 1 1 18 18 MET N N 517 124.591 124.591 117.010 7.581 18467 3732 1 6 . 1 1 18 18 MET HA H 517 4.122 4.122 4.530 -0.408 18467 3733 1 6 . 1 1 18 18 MET C C 517 177.503 177.503 177.746 -0.243 18467 3734 1 6 . 1 1 18 18 MET CA C 517 59.707 59.707 58.101 1.606 18467 3735 1 6 . 1 1 18 18 MET CB C 517 32.304 32.304 32.438 -0.134 18467 3736 1 6 . 1 1 18 18 MET H H 517 9.271 9.271 8.241 1.030 18467 3737 1 6 . 1 1 19 19 LEU N N 518 123.039 123.039 122.916 0.123 18467 3738 1 6 . 1 1 19 19 LEU HA H 518 3.893 3.893 4.065 -0.172 18467 3739 1 6 . 1 1 19 19 LEU C C 518 178.414 178.414 177.949 0.465 18467 3740 1 6 . 1 1 19 19 LEU CA C 518 58.118 58.118 57.921 0.197 18467 3741 1 6 . 1 1 19 19 LEU CB C 518 41.221 41.221 41.778 -0.557 18467 3742 1 6 . 1 1 19 19 LEU H H 518 8.587 8.587 7.795 0.792 18467 3743 1 6 . 1 1 20 20 VAL N N 519 118.518 118.518 118.955 -0.437 18467 3744 1 6 . 1 1 20 20 VAL HA H 519 3.322 3.322 3.489 -0.167 18467 3745 1 6 . 1 1 20 20 VAL C C 519 178.032 178.032 177.868 0.164 18467 3746 1 6 . 1 1 20 20 VAL CA C 519 67.874 67.874 67.009 0.865 18467 3747 1 6 . 1 1 20 20 VAL CB C 519 31.600 31.600 31.167 0.433 18467 3748 1 6 . 1 1 20 20 VAL H H 519 9.070 9.070 8.202 0.868 18467 3749 1 6 . 1 1 21 21 ALA N N 520 122.534 122.534 120.726 1.808 18467 3750 1 6 . 1 1 21 21 ALA HA H 520 4.165 4.165 3.980 0.185 18467 3751 1 6 . 1 1 21 21 ALA C C 520 180.604 180.604 179.244 1.360 18467 3752 1 6 . 1 1 21 21 ALA CA C 520 55.125 55.125 55.086 0.039 18467 3753 1 6 . 1 1 21 21 ALA CB C 520 17.702 17.702 17.939 -0.237 18467 3754 1 6 . 1 1 21 21 ALA H H 520 7.594 7.594 7.764 -0.170 18467 3755 1 6 . 1 1 22 22 ALA N N 521 123.185 123.185 122.294 0.891 18467 3756 1 6 . 1 1 22 22 ALA HA H 521 3.945 3.945 3.968 -0.023 18467 3757 1 6 . 1 1 22 22 ALA C C 521 178.468 178.468 179.515 -1.047 18467 3758 1 6 . 1 1 22 22 ALA CA C 521 54.905 54.905 54.798 0.107 18467 3759 1 6 . 1 1 22 22 ALA CB C 521 17.956 17.956 18.468 -0.512 18467 3760 1 6 . 1 1 22 22 ALA H H 521 8.549 8.549 7.542 1.007 18467 3761 1 6 . 1 1 23 23 ILE N N 522 120.269 120.269 119.130 1.139 18467 3762 1 6 . 1 1 23 23 ILE HA H 522 3.275 3.275 3.530 -0.255 18467 3763 1 6 . 1 1 23 23 ILE C C 522 178.024 178.024 177.859 0.165 18467 3764 1 6 . 1 1 23 23 ILE CA C 522 66.015 66.015 64.997 1.018 18467 3765 1 6 . 1 1 23 23 ILE CB C 522 38.407 38.407 37.562 0.845 18467 3766 1 6 . 1 1 23 23 ILE H H 522 8.963 8.963 8.523 0.440 18467 3767 1 6 . 1 1 24 24 GLN N N 523 118.677 118.677 120.671 -1.994 18467 3768 1 6 . 1 1 24 24 GLN HA H 523 4.169 4.169 4.094 0.075 18467 3769 1 6 . 1 1 24 24 GLN C C 523 180.200 180.200 178.449 1.751 18467 3770 1 6 . 1 1 24 24 GLN CA C 523 58.567 58.567 58.295 0.272 18467 3771 1 6 . 1 1 24 24 GLN CB C 523 27.611 27.611 28.345 -0.734 18467 3772 1 6 . 1 1 24 24 GLN H H 523 7.976 7.976 8.411 -0.435 18467 3773 1 6 . 1 1 25 25 SER N N 524 117.810 117.810 116.237 1.573 18467 3774 1 6 . 1 1 25 25 SER C C 524 175.679 175.679 176.300 -0.621 18467 3775 1 6 . 1 1 25 25 SER CA C 524 62.046 62.046 61.089 0.958 18467 3776 1 6 . 1 1 25 25 SER CB C 524 63.015 63.015 62.986 0.029 18467 3777 1 6 . 1 1 25 25 SER H H 524 8.311 8.311 8.155 0.156 18467 3778 1 6 . 1 1 26 26 ALA N N 525 119.017 119.017 119.965 -0.948 18467 3779 1 6 . 1 1 26 26 ALA HA H 525 4.307 4.307 4.204 0.103 18467 3780 1 6 . 1 1 26 26 ALA C C 525 176.838 176.838 177.604 -0.766 18467 3781 1 6 . 1 1 26 26 ALA CA C 525 52.205 52.205 52.106 0.099 18467 3782 1 6 . 1 1 26 26 ALA CB C 525 19.912 19.912 19.020 0.892 18467 3783 1 6 . 1 1 26 26 ALA H H 525 8.322 8.322 7.621 0.701 18467 3784 1 6 . 1 1 27 27 GLY N N 526 105.650 105.650 106.658 -1.008 18467 3785 1 6 . 1 1 27 27 GLY C C 526 176.606 176.606 175.584 1.022 18467 3786 1 6 . 1 1 27 27 GLY CA C 526 46.361 46.361 45.935 0.426 18467 3787 1 6 . 1 1 27 27 GLY H H 526 7.749 7.749 7.557 0.192 18467 3788 1 6 . 1 1 28 28 LEU N N 527 118.441 118.441 118.850 -0.409 18467 3789 1 6 . 1 1 28 28 LEU HA H 527 4.452 4.452 4.341 0.111 18467 3790 1 6 . 1 1 28 28 LEU C C 527 175.786 175.786 177.788 -2.002 18467 3791 1 6 . 1 1 28 28 LEU CA C 527 54.774 54.774 54.671 0.103 18467 3792 1 6 . 1 1 28 28 LEU CB C 527 45.162 45.162 40.766 4.396 18467 3793 1 6 . 1 1 28 28 LEU H H 527 8.100 8.100 8.074 0.026 18467 3794 1 6 . 1 1 29 29 THR N N 528 117.975 117.975 116.264 1.711 18467 3795 1 6 . 1 1 29 29 THR HA H 528 3.539 3.539 3.851 -0.312 18467 3796 1 6 . 1 1 29 29 THR C C 528 175.468 175.468 176.257 -0.789 18467 3797 1 6 . 1 1 29 29 THR CA C 528 66.819 66.819 66.859 -0.040 18467 3798 1 6 . 1 1 29 29 THR CB C 528 68.696 68.696 68.281 0.415 18467 3799 1 6 . 1 1 29 29 THR H H 528 7.584 7.584 8.115 -0.531 18467 3800 1 6 . 1 1 30 30 GLU N N 529 117.727 117.727 119.742 -2.015 18467 3801 1 6 . 1 1 30 30 GLU HA H 529 3.986 3.986 4.096 -0.110 18467 3802 1 6 . 1 1 30 30 GLU C C 529 179.348 179.348 178.075 1.273 18467 3803 1 6 . 1 1 30 30 GLU CA C 529 59.738 59.738 59.172 0.566 18467 3804 1 6 . 1 1 30 30 GLU CB C 529 28.596 28.596 29.132 -0.536 18467 3805 1 6 . 1 1 30 30 GLU H H 529 8.304 8.304 8.099 0.205 18467 3806 1 6 . 1 1 31 31 THR N N 530 116.063 116.063 112.826 3.237 18467 3807 1 6 . 1 1 31 31 THR HA H 530 3.758 3.758 4.051 -0.293 18467 3808 1 6 . 1 1 31 31 THR C C 530 175.858 175.858 175.278 0.580 18467 3809 1 6 . 1 1 31 31 THR CA C 530 67.207 67.207 65.516 1.692 18467 3810 1 6 . 1 1 31 31 THR CB C 530 69.145 69.145 68.978 0.166 18467 3811 1 6 . 1 1 31 31 THR H H 530 7.698 7.698 7.378 0.320 18467 3812 1 6 . 1 1 32 32 LEU N N 531 116.755 116.755 118.421 -1.666 18467 3813 1 6 . 1 1 32 32 LEU HA H 531 3.921 3.921 4.018 -0.097 18467 3814 1 6 . 1 1 32 32 LEU C C 531 176.163 176.163 177.189 -1.026 18467 3815 1 6 . 1 1 32 32 LEU CA C 531 55.681 55.681 55.677 0.004 18467 3816 1 6 . 1 1 32 32 LEU CB C 531 41.417 41.417 42.327 -0.910 18467 3817 1 6 . 1 1 32 32 LEU H H 531 7.108 7.108 7.228 -0.120 18467 3818 1 6 . 1 1 33 33 ASN N N 532 118.731 118.731 116.302 2.429 18467 3819 1 6 . 1 1 33 33 ASN HA H 532 4.973 4.973 4.638 0.335 18467 3820 1 6 . 1 1 33 33 ASN C C 532 174.820 174.820 174.643 0.177 18467 3821 1 6 . 1 1 33 33 ASN CA C 532 52.139 52.139 53.771 -1.632 18467 3822 1 6 . 1 1 33 33 ASN CB C 532 40.952 40.952 38.667 2.284 18467 3823 1 6 . 1 1 33 33 ASN H H 532 7.751 7.751 7.955 -0.204 18467 3824 1 6 . 1 1 34 34 ARG N N 533 119.562 119.562 119.388 0.174 18467 3825 1 6 . 1 1 34 34 ARG HA H 533 4.531 4.531 4.593 -0.062 18467 3826 1 6 . 1 1 34 34 ARG C C 533 175.355 175.355 175.043 0.312 18467 3827 1 6 . 1 1 34 34 ARG CA C 533 55.591 55.591 54.566 1.025 18467 3828 1 6 . 1 1 34 34 ARG CB C 533 32.007 32.007 32.569 -0.562 18467 3829 1 6 . 1 1 34 34 ARG H H 533 7.296 7.296 7.452 -0.156 18467 3830 1 6 . 1 1 35 35 GLU N N 534 120.049 120.049 121.087 -1.038 18467 3831 1 6 . 1 1 35 35 GLU HA H 534 4.238 4.238 4.200 0.038 18467 3832 1 6 . 1 1 35 35 GLU C C 534 176.281 176.281 176.484 -0.203 18467 3833 1 6 . 1 1 35 35 GLU CA C 534 57.698 57.698 57.079 0.619 18467 3834 1 6 . 1 1 35 35 GLU CB C 534 29.807 29.807 29.617 0.190 18467 3835 1 6 . 1 1 35 35 GLU H H 534 8.508 8.508 8.568 -0.060 18467 3836 1 6 . 1 1 36 36 GLY N N 535 110.987 110.987 110.558 0.429 18467 3837 1 6 . 1 1 36 36 GLY C C 535 170.566 170.566 172.120 -1.554 18467 3838 1 6 . 1 1 36 36 GLY CA C 535 44.853 44.853 45.094 -0.241 18467 3839 1 6 . 1 1 36 36 GLY H H 535 7.949 7.949 8.415 -0.466 18467 3840 1 6 . 1 1 37 37 VAL N N 536 114.744 114.744 116.770 -2.026 18467 3841 1 6 . 1 1 37 37 VAL HA H 536 4.126 4.126 4.841 -0.715 18467 3842 1 6 . 1 1 37 37 VAL C C 536 173.026 173.026 173.993 -0.967 18467 3843 1 6 . 1 1 37 37 VAL CA C 536 59.318 59.318 59.035 0.283 18467 3844 1 6 . 1 1 37 37 VAL CB C 536 33.633 33.633 32.995 0.638 18467 3845 1 6 . 1 1 37 37 VAL H H 536 7.189 7.189 7.941 -0.752 18467 3846 1 6 . 1 1 38 38 TYR N N 537 117.326 117.326 123.986 -6.660 18467 3847 1 6 . 1 1 38 38 TYR HA H 537 5.187 5.187 5.014 0.173 18467 3848 1 6 . 1 1 38 38 TYR C C 537 176.236 176.236 174.937 1.299 18467 3849 1 6 . 1 1 38 38 TYR CA C 537 56.755 56.755 57.155 -0.400 18467 3850 1 6 . 1 1 38 38 TYR CB C 537 42.471 42.471 42.955 -0.484 18467 3851 1 6 . 1 1 38 38 TYR H H 537 7.491 7.491 8.655 -1.164 18467 3852 1 6 . 1 1 39 39 THR N N 538 117.089 117.089 120.815 -3.726 18467 3853 1 6 . 1 1 39 39 THR HA H 538 4.789 4.789 4.765 0.024 18467 3854 1 6 . 1 1 39 39 THR C C 538 173.433 173.433 173.505 -0.072 18467 3855 1 6 . 1 1 39 39 THR CA C 538 62.170 62.170 62.267 -0.097 18467 3856 1 6 . 1 1 39 39 THR CB C 538 70.774 70.774 69.517 1.257 18467 3857 1 6 . 1 1 39 39 THR H H 538 7.902 7.902 8.544 -0.642 18467 3858 1 6 . 1 1 40 40 VAL N N 539 126.906 126.906 128.453 -1.547 18467 3859 1 6 . 1 1 40 40 VAL HA H 539 4.523 4.523 4.474 0.049 18467 3860 1 6 . 1 1 40 40 VAL C C 539 173.960 173.960 174.648 -0.688 18467 3861 1 6 . 1 1 40 40 VAL CA C 539 61.184 61.184 61.633 -0.450 18467 3862 1 6 . 1 1 40 40 VAL CB C 539 33.968 33.968 32.523 1.445 18467 3863 1 6 . 1 1 40 40 VAL H H 539 9.183 9.183 9.050 0.133 18467 3864 1 6 . 1 1 41 41 PHE N N 540 128.634 128.634 129.009 -0.375 18467 3865 1 6 . 1 1 41 41 PHE HA H 540 5.332 5.332 4.790 0.542 18467 3866 1 6 . 1 1 41 41 PHE C C 540 173.378 173.378 175.252 -1.874 18467 3867 1 6 . 1 1 41 41 PHE CA C 540 57.718 57.718 57.785 -0.068 18467 3868 1 6 . 1 1 41 41 PHE CB C 540 38.255 38.255 39.505 -1.250 18467 3869 1 6 . 1 1 41 41 PHE H H 540 9.084 9.084 8.826 0.258 18467 3870 1 6 . 1 1 42 42 ALA N N 541 125.989 125.989 129.907 -3.918 18467 3871 1 6 . 1 1 42 42 ALA HA H 541 4.499 4.499 4.842 -0.343 18467 3872 1 6 . 1 1 42 42 ALA CA C 541 49.035 49.035 48.919 0.116 18467 3873 1 6 . 1 1 42 42 ALA CB C 541 22.804 22.804 19.459 3.345 18467 3874 1 6 . 1 1 42 42 ALA H H 541 8.572 8.572 8.753 -0.181 18467 3875 1 6 . 1 1 43 43 PRO HA H 542 5.030 5.030 5.529 -0.499 18467 3876 1 6 . 1 1 43 43 PRO C C 542 177.796 177.796 177.162 0.634 18467 3877 1 6 . 1 1 43 43 PRO CA C 542 60.823 60.823 61.972 -1.149 18467 3878 1 6 . 1 1 43 43 PRO CB C 542 31.462 31.462 32.731 -1.269 18467 3879 1 6 . 1 1 44 44 THR N N 543 111.786 111.786 112.959 -1.173 18467 3880 1 6 . 1 1 44 44 THR HA H 543 4.423 4.423 4.679 -0.256 18467 3881 1 6 . 1 1 44 44 THR C C 543 176.323 176.323 175.839 0.484 18467 3882 1 6 . 1 1 44 44 THR CA C 543 60.816 60.816 59.396 1.420 18467 3883 1 6 . 1 1 44 44 THR CB C 543 71.498 71.498 70.557 0.941 18467 3884 1 6 . 1 1 44 44 THR H H 543 7.739 7.739 8.370 -0.631 18467 3885 1 6 . 1 1 45 45 ASN N N 544 118.432 118.432 117.895 0.537 18467 3886 1 6 . 1 1 45 45 ASN HA H 544 4.621 4.621 4.267 0.354 18467 3887 1 6 . 1 1 45 45 ASN C C 544 177.738 177.738 176.211 1.527 18467 3888 1 6 . 1 1 45 45 ASN CA C 544 56.092 56.092 55.568 0.524 18467 3889 1 6 . 1 1 45 45 ASN CB C 544 37.329 37.329 38.499 -1.170 18467 3890 1 6 . 1 1 45 45 ASN H H 544 8.679 8.679 8.358 0.321 18467 3891 1 6 . 1 1 46 46 GLU N N 545 117.774 117.774 117.958 -0.184 18467 3892 1 6 . 1 1 46 46 GLU HA H 545 3.800 3.800 4.099 -0.299 18467 3893 1 6 . 1 1 46 46 GLU C C 545 178.277 178.277 176.604 1.673 18467 3894 1 6 . 1 1 46 46 GLU CA C 545 60.129 60.129 58.343 1.786 18467 3895 1 6 . 1 1 46 46 GLU CB C 545 29.254 29.254 29.223 0.031 18467 3896 1 6 . 1 1 46 46 GLU H H 545 8.213 8.213 7.664 0.549 18467 3897 1 6 . 1 1 47 47 ALA N N 546 121.430 121.430 120.214 1.216 18467 3898 1 6 . 1 1 47 47 ALA HA H 546 3.965 3.965 4.288 -0.323 18467 3899 1 6 . 1 1 47 47 ALA C C 546 180.270 180.270 178.719 1.551 18467 3900 1 6 . 1 1 47 47 ALA CA C 546 54.894 54.894 53.950 0.944 18467 3901 1 6 . 1 1 47 47 ALA CB C 546 19.469 19.469 19.073 0.396 18467 3902 1 6 . 1 1 47 47 ALA H H 546 7.344 7.344 7.100 0.244 18467 3903 1 6 . 1 1 48 48 PHE N N 547 115.617 115.617 116.604 -0.987 18467 3904 1 6 . 1 1 48 48 PHE HA H 547 3.923 3.923 3.784 0.139 18467 3905 1 6 . 1 1 48 48 PHE C C 547 178.849 178.849 176.043 2.806 18467 3906 1 6 . 1 1 48 48 PHE CA C 547 61.460 61.460 58.423 3.037 18467 3907 1 6 . 1 1 48 48 PHE CB C 547 38.400 38.400 37.464 0.936 18467 3908 1 6 . 1 1 48 48 PHE H H 547 7.128 7.128 6.898 0.230 18467 3909 1 6 . 1 1 49 49 ARG N N 548 118.721 118.721 117.212 1.509 18467 3910 1 6 . 1 1 49 49 ARG C C 548 175.961 175.961 176.712 -0.751 18467 3911 1 6 . 1 1 49 49 ARG CA C 548 58.359 58.359 55.968 2.391 18467 3912 1 6 . 1 1 49 49 ARG CB C 548 30.082 30.082 29.847 0.235 18467 3913 1 6 . 1 1 49 49 ARG H H 548 8.233 8.233 7.583 0.650 18467 3914 1 6 . 1 1 50 50 ALA N N 549 118.911 118.911 121.297 -2.386 18467 3915 1 6 . 1 1 50 50 ALA HA H 549 4.309 4.309 4.297 0.012 18467 3916 1 6 . 1 1 50 50 ALA C C 549 178.758 178.758 177.594 1.164 18467 3917 1 6 . 1 1 50 50 ALA CA C 549 52.405 52.405 52.819 -0.414 18467 3918 1 6 . 1 1 50 50 ALA CB C 549 18.856 18.856 19.205 -0.349 18467 3919 1 6 . 1 1 50 50 ALA H H 549 7.166 7.166 7.294 -0.128 18467 3920 1 6 . 1 1 51 51 LEU N N 550 119.543 119.543 120.743 -1.200 18467 3921 1 6 . 1 1 51 51 LEU HA H 550 4.541 4.541 4.779 -0.238 18467 3922 1 6 . 1 1 51 51 LEU CA C 550 53.504 53.504 51.933 1.571 18467 3923 1 6 . 1 1 51 51 LEU CB C 550 41.195 41.195 43.305 -2.110 18467 3924 1 6 . 1 1 51 51 LEU H H 550 7.130 7.130 7.498 -0.368 18467 3925 1 6 . 1 1 52 52 PRO HA H 551 4.780 4.780 4.634 0.146 18467 3926 1 6 . 1 1 52 52 PRO CA C 551 61.356 61.356 62.165 -0.809 18467 3927 1 6 . 1 1 52 52 PRO CB C 551 31.589 31.589 31.536 0.053 18467 3928 1 6 . 1 1 53 53 PRO HA H 552 4.415 4.415 4.190 0.225 18467 3929 1 6 . 1 1 53 53 PRO CA C 552 65.934 65.934 65.634 0.300 18467 3930 1 6 . 1 1 53 53 PRO CB C 552 32.117 32.117 31.855 0.262 18467 3931 1 6 . 1 1 54 54 ARG C C 553 178.861 178.861 178.676 0.185 18467 3932 1 6 . 1 1 54 54 ARG CA C 553 59.040 59.040 59.217 -0.177 18467 3933 1 6 . 1 1 54 54 ARG CB C 553 29.650 29.650 29.310 0.340 18467 3934 1 6 . 1 1 55 55 GLU N N 554 120.619 120.619 120.148 0.471 18467 3935 1 6 . 1 1 55 55 GLU HA H 554 4.569 4.569 4.194 0.375 18467 3936 1 6 . 1 1 55 55 GLU CA C 554 57.913 57.913 59.449 -1.536 18467 3937 1 6 . 1 1 55 55 GLU CB C 554 29.799 29.799 29.350 0.449 18467 3938 1 6 . 1 1 55 55 GLU H H 554 7.713 7.713 8.272 -0.559 18467 3939 1 6 . 1 1 56 56 TRP N N 555 120.789 120.789 120.742 0.047 18467 3940 1 6 . 1 1 56 56 TRP HA H 555 4.790 4.790 4.633 0.157 18467 3941 1 6 . 1 1 56 56 TRP C C 555 176.837 176.837 178.422 -1.585 18467 3942 1 6 . 1 1 56 56 TRP CA C 555 59.458 59.458 61.039 -1.581 18467 3943 1 6 . 1 1 56 56 TRP CB C 555 30.606 30.606 29.729 0.878 18467 3944 1 6 . 1 1 56 56 TRP H H 555 8.151 8.151 7.749 0.402 18467 3945 1 6 . 1 1 57 57 SER N N 556 110.579 110.579 115.119 -4.540 18467 3946 1 6 . 1 1 57 57 SER HA H 556 4.169 4.169 4.112 0.057 18467 3947 1 6 . 1 1 57 57 SER C C 556 177.169 177.169 176.474 0.695 18467 3948 1 6 . 1 1 57 57 SER CA C 556 61.964 61.964 61.600 0.364 18467 3949 1 6 . 1 1 57 57 SER H H 556 8.263 8.263 8.809 -0.546 18467 3950 1 6 . 1 1 58 58 ARG N N 557 122.546 122.546 119.655 2.891 18467 3951 1 6 . 1 1 58 58 ARG CA C 557 59.314 59.314 58.967 0.347 18467 3952 1 6 . 1 1 58 58 ARG CB C 557 30.188 30.188 30.284 -0.096 18467 3953 1 6 . 1 1 58 58 ARG H H 557 7.594 7.594 7.502 0.092 18467 3954 1 6 . 1 1 59 59 LEU N N 558 120.695 120.695 120.618 0.077 18467 3955 1 6 . 1 1 59 59 LEU HA H 558 3.902 3.902 4.088 -0.186 18467 3956 1 6 . 1 1 59 59 LEU C C 558 178.293 178.293 179.282 -0.989 18467 3957 1 6 . 1 1 59 59 LEU CA C 558 57.989 57.989 56.887 1.102 18467 3958 1 6 . 1 1 59 59 LEU CB C 558 41.974 41.974 41.605 0.369 18467 3959 1 6 . 1 1 59 59 LEU H H 558 8.143 8.143 7.383 0.760 18467 3960 1 6 . 1 1 60 60 LEU N N 559 115.713 115.713 116.918 -1.205 18467 3961 1 6 . 1 1 60 60 LEU HA H 559 3.643 3.643 4.062 -0.419 18467 3962 1 6 . 1 1 60 60 LEU C C 559 178.818 178.818 178.554 0.264 18467 3963 1 6 . 1 1 60 60 LEU CA C 559 56.773 56.773 56.895 -0.122 18467 3964 1 6 . 1 1 60 60 LEU CB C 559 41.434 41.434 41.500 -0.066 18467 3965 1 6 . 1 1 60 60 LEU H H 559 7.725 7.725 8.283 -0.558 18467 3966 1 6 . 1 1 61 61 GLY N N 560 103.312 103.312 104.881 -1.569 18467 3967 1 6 . 1 1 61 61 GLY C C 560 173.364 173.364 173.652 -0.288 18467 3968 1 6 . 1 1 61 61 GLY CA C 560 45.029 45.029 44.823 0.206 18467 3969 1 6 . 1 1 61 61 GLY H H 560 7.311 7.311 7.607 -0.296 18467 3970 1 6 . 1 1 62 62 ASP N N 561 122.455 122.455 120.141 2.314 18467 3971 1 6 . 1 1 62 62 ASP HA H 561 4.847 4.847 4.779 0.068 18467 3972 1 6 . 1 1 62 62 ASP C C 561 173.909 173.909 175.495 -1.586 18467 3973 1 6 . 1 1 62 62 ASP CA C 561 52.302 52.302 53.166 -0.864 18467 3974 1 6 . 1 1 62 62 ASP CB C 561 41.362 41.362 43.186 -1.824 18467 3975 1 6 . 1 1 62 62 ASP H H 561 7.532 7.532 7.546 -0.014 18467 3976 1 6 . 1 1 63 63 ALA N N 562 125.643 125.643 130.112 -4.469 18467 3977 1 6 . 1 1 63 63 ALA HA H 562 4.019 4.019 4.029 -0.010 18467 3978 1 6 . 1 1 63 63 ALA C C 562 180.109 180.109 178.978 1.131 18467 3979 1 6 . 1 1 63 63 ALA CA C 562 55.660 55.660 54.892 0.768 18467 3980 1 6 . 1 1 63 63 ALA CB C 562 18.980 18.980 18.823 0.157 18467 3981 1 6 . 1 1 63 63 ALA H H 562 8.372 8.372 8.669 -0.297 18467 3982 1 6 . 1 1 64 64 LYS N N 563 117.354 117.354 118.590 -1.236 18467 3983 1 6 . 1 1 64 64 LYS HA H 563 4.116 4.116 3.982 0.134 18467 3984 1 6 . 1 1 64 64 LYS C C 563 179.293 179.293 178.780 0.513 18467 3985 1 6 . 1 1 64 64 LYS CA C 563 59.459 59.459 59.359 0.100 18467 3986 1 6 . 1 1 64 64 LYS CB C 563 32.165 32.165 31.890 0.275 18467 3987 1 6 . 1 1 64 64 LYS H H 563 8.111 8.111 8.470 -0.359 18467 3988 1 6 . 1 1 65 65 GLU N N 564 120.953 120.953 119.501 1.452 18467 3989 1 6 . 1 1 65 65 GLU HA H 564 4.207 4.207 4.103 0.104 18467 3990 1 6 . 1 1 65 65 GLU C C 564 179.679 179.679 178.857 0.822 18467 3991 1 6 . 1 1 65 65 GLU CA C 564 58.683 58.683 58.516 0.167 18467 3992 1 6 . 1 1 65 65 GLU CB C 564 29.403 29.403 29.373 0.030 18467 3993 1 6 . 1 1 65 65 GLU H H 564 7.725 7.725 8.132 -0.407 18467 3994 1 6 . 1 1 66 66 LEU N N 565 120.534 120.534 120.711 -0.177 18467 3995 1 6 . 1 1 66 66 LEU HA H 565 4.117 4.117 3.857 0.260 18467 3996 1 6 . 1 1 66 66 LEU C C 565 178.692 178.692 178.017 0.675 18467 3997 1 6 . 1 1 66 66 LEU CA C 565 57.883 57.883 57.622 0.261 18467 3998 1 6 . 1 1 66 66 LEU CB C 565 40.916 40.916 41.738 -0.822 18467 3999 1 6 . 1 1 66 66 LEU H H 565 8.668 8.668 7.973 0.695 18467 4000 1 6 . 1 1 67 67 ALA N N 566 119.170 119.170 120.351 -1.181 18467 4001 1 6 . 1 1 67 67 ALA HA H 566 3.904 3.904 3.859 0.045 18467 4002 1 6 . 1 1 67 67 ALA C C 566 179.042 179.042 179.656 -0.614 18467 4003 1 6 . 1 1 67 67 ALA CA C 566 55.916 55.916 55.136 0.780 18467 4004 1 6 . 1 1 67 67 ALA CB C 566 17.972 17.972 17.858 0.114 18467 4005 1 6 . 1 1 67 67 ALA H H 566 8.474 8.474 8.557 -0.083 18467 4006 1 6 . 1 1 68 68 ASN N N 567 115.725 115.725 116.929 -1.204 18467 4007 1 6 . 1 1 68 68 ASN HA H 567 4.479 4.479 4.440 0.039 18467 4008 1 6 . 1 1 68 68 ASN CA C 567 57.014 57.014 55.645 1.369 18467 4009 1 6 . 1 1 68 68 ASN CB C 567 38.597 38.597 38.231 0.366 18467 4010 1 6 . 1 1 68 68 ASN H H 567 7.555 7.555 7.914 -0.359 18467 4011 1 6 . 1 1 69 69 ILE N N 568 118.231 118.231 118.167 0.064 18467 4012 1 6 . 1 1 69 69 ILE HA H 568 4.125 4.125 3.905 0.220 18467 4013 1 6 . 1 1 69 69 ILE C C 568 179.766 179.766 177.658 2.108 18467 4014 1 6 . 1 1 69 69 ILE CA C 568 64.168 64.168 63.752 0.416 18467 4015 1 6 . 1 1 69 69 ILE CB C 568 38.547 38.547 38.387 0.160 18467 4016 1 6 . 1 1 69 69 ILE H H 568 7.832 7.832 7.069 0.763 18467 4017 1 6 . 1 1 70 70 LEU N N 569 120.962 120.962 120.897 0.065 18467 4018 1 6 . 1 1 70 70 LEU HA H 569 4.114 4.114 3.473 0.641 18467 4019 1 6 . 1 1 70 70 LEU C C 569 179.633 179.633 178.939 0.694 18467 4020 1 6 . 1 1 70 70 LEU CA C 569 58.463 58.463 57.648 0.816 18467 4021 1 6 . 1 1 70 70 LEU CB C 569 42.056 42.056 41.865 0.191 18467 4022 1 6 . 1 1 70 70 LEU H H 569 8.705 8.705 8.361 0.344 18467 4023 1 6 . 1 1 71 71 LYS N N 570 116.318 116.318 118.633 -2.315 18467 4024 1 6 . 1 1 71 71 LYS HA H 570 3.933 3.933 4.022 -0.089 18467 4025 1 6 . 1 1 71 71 LYS C C 570 177.691 177.691 178.584 -0.893 18467 4026 1 6 . 1 1 71 71 LYS CA C 570 60.750 60.750 58.531 2.219 18467 4027 1 6 . 1 1 71 71 LYS CB C 570 32.439 32.439 32.344 0.095 18467 4028 1 6 . 1 1 71 71 LYS H H 570 8.889 8.889 7.639 1.250 18467 4029 1 6 . 1 1 72 72 TYR N N 571 119.628 119.628 118.384 1.244 18467 4030 1 6 . 1 1 72 72 TYR HA H 571 4.596 4.596 4.470 0.126 18467 4031 1 6 . 1 1 72 72 TYR C C 571 171.958 171.958 175.989 -4.031 18467 4032 1 6 . 1 1 72 72 TYR CA C 571 59.022 59.022 59.714 -0.692 18467 4033 1 6 . 1 1 72 72 TYR CB C 571 38.970 38.970 38.925 0.045 18467 4034 1 6 . 1 1 72 72 TYR H H 571 7.557 7.557 7.892 -0.335 18467 4035 1 6 . 1 1 73 73 HIS N N 572 108.692 108.692 115.745 -7.053 18467 4036 1 6 . 1 1 73 73 HIS HA H 572 4.206 4.206 4.377 -0.171 18467 4037 1 6 . 1 1 73 73 HIS C C 572 173.668 173.668 175.277 -1.609 18467 4038 1 6 . 1 1 73 73 HIS CA C 572 58.880 58.880 57.298 1.582 18467 4039 1 6 . 1 1 73 73 HIS CB C 572 28.164 28.164 29.756 -1.592 18467 4040 1 6 . 1 1 73 73 HIS H H 572 7.583 7.583 7.562 0.021 18467 4041 1 6 . 1 1 74 74 ILE N N 573 117.585 117.585 119.826 -2.241 18467 4042 1 6 . 1 1 74 74 ILE HA H 573 5.236 5.236 4.744 0.492 18467 4043 1 6 . 1 1 74 74 ILE C C 573 175.634 175.634 175.292 0.342 18467 4044 1 6 . 1 1 74 74 ILE CA C 573 59.501 59.501 60.471 -0.970 18467 4045 1 6 . 1 1 74 74 ILE CB C 573 40.955 40.955 39.151 1.804 18467 4046 1 6 . 1 1 74 74 ILE H H 573 7.283 7.283 7.349 -0.066 18467 4047 1 6 . 1 1 75 75 GLY N N 574 111.783 111.783 113.386 -1.603 18467 4048 1 6 . 1 1 75 75 GLY C C 574 173.914 173.914 175.197 -1.283 18467 4049 1 6 . 1 1 75 75 GLY CA C 574 43.960 43.960 43.952 0.008 18467 4050 1 6 . 1 1 75 75 GLY H H 574 10.218 10.218 9.069 1.149 18467 4051 1 6 . 1 1 76 76 ASP N N 575 120.537 120.537 120.836 -0.299 18467 4052 1 6 . 1 1 76 76 ASP HA H 575 4.759 4.759 4.446 0.313 18467 4053 1 6 . 1 1 76 76 ASP C C 575 174.756 174.756 175.450 -0.694 18467 4054 1 6 . 1 1 76 76 ASP CA C 575 53.707 53.707 56.741 -3.034 18467 4055 1 6 . 1 1 76 76 ASP CB C 575 41.029 41.029 41.680 -0.651 18467 4056 1 6 . 1 1 76 76 ASP H H 575 8.361 8.361 8.797 -0.436 18467 4057 1 6 . 1 1 77 77 GLU N N 576 114.270 114.270 113.983 0.287 18467 4058 1 6 . 1 1 77 77 GLU HA H 576 4.472 4.472 4.598 -0.126 18467 4059 1 6 . 1 1 77 77 GLU CA C 576 54.500 54.500 54.512 -0.012 18467 4060 1 6 . 1 1 77 77 GLU CB C 576 33.422 33.422 32.041 1.381 18467 4061 1 6 . 1 1 77 77 GLU H H 576 7.266 7.266 7.784 -0.518 18467 4062 1 6 . 1 1 78 78 ILE N N 577 120.961 120.961 121.163 -0.202 18467 4063 1 6 . 1 1 78 78 ILE HA H 577 3.570 3.570 4.392 -0.822 18467 4064 1 6 . 1 1 78 78 ILE C C 577 174.815 174.815 175.448 -0.633 18467 4065 1 6 . 1 1 78 78 ILE CA C 577 62.347 62.347 61.555 0.792 18467 4066 1 6 . 1 1 78 78 ILE CB C 577 38.390 38.390 37.812 0.578 18467 4067 1 6 . 1 1 78 78 ILE H H 577 8.514 8.514 8.526 -0.012 18467 4068 1 6 . 1 1 79 79 LEU N N 578 132.660 132.660 131.722 0.938 18467 4069 1 6 . 1 1 79 79 LEU HA H 578 4.779 4.779 4.675 0.104 18467 4070 1 6 . 1 1 79 79 LEU C C 578 174.161 174.161 175.247 -1.086 18467 4071 1 6 . 1 1 79 79 LEU CA C 578 53.881 53.881 53.135 0.746 18467 4072 1 6 . 1 1 79 79 LEU CB C 578 44.088 44.088 41.914 2.174 18467 4073 1 6 . 1 1 79 79 LEU H H 578 7.973 7.973 9.000 -1.027 18467 4074 1 6 . 1 1 80 80 VAL N N 579 118.506 118.506 119.717 -1.211 18467 4075 1 6 . 1 1 80 80 VAL HA H 579 4.767 4.767 4.444 0.323 18467 4076 1 6 . 1 1 80 80 VAL C C 579 178.415 178.415 176.872 1.543 18467 4077 1 6 . 1 1 80 80 VAL CA C 579 59.505 59.505 60.478 -0.973 18467 4078 1 6 . 1 1 80 80 VAL CB C 579 33.491 33.491 32.665 0.826 18467 4079 1 6 . 1 1 80 80 VAL H H 579 7.968 7.968 8.005 -0.037 18467 4080 1 6 . 1 1 81 81 SER N N 580 121.910 121.910 117.142 4.768 18467 4081 1 6 . 1 1 81 81 SER HA H 580 3.828 3.828 4.256 -0.428 18467 4082 1 6 . 1 1 81 81 SER C C 580 177.014 177.014 175.562 1.452 18467 4083 1 6 . 1 1 81 81 SER CA C 580 62.856 62.856 61.720 1.136 18467 4084 1 6 . 1 1 81 81 SER CB C 580 62.118 62.118 63.017 -0.899 18467 4085 1 6 . 1 1 81 81 SER H H 580 11.091 11.091 9.573 1.518 18467 4086 1 6 . 1 1 82 82 GLY N N 581 107.507 107.507 105.954 1.553 18467 4087 1 6 . 1 1 82 82 GLY C C 581 174.753 174.753 175.260 -0.507 18467 4088 1 6 . 1 1 82 82 GLY CA C 581 45.933 45.933 45.703 0.230 18467 4089 1 6 . 1 1 82 82 GLY H H 581 8.283 8.283 8.281 0.002 18467 4090 1 6 . 1 1 83 83 GLY N N 582 107.844 107.844 108.265 -0.421 18467 4091 1 6 . 1 1 83 83 GLY C C 582 174.383 174.383 174.727 -0.344 18467 4092 1 6 . 1 1 83 83 GLY CA C 582 44.437 44.437 44.303 0.134 18467 4093 1 6 . 1 1 83 83 GLY H H 582 8.244 8.244 7.889 0.355 18467 4094 1 6 . 1 1 84 84 ILE N N 583 120.981 120.981 123.331 -2.350 18467 4095 1 6 . 1 1 84 84 ILE HA H 583 3.820 3.820 3.901 -0.081 18467 4096 1 6 . 1 1 84 84 ILE C C 583 175.634 175.634 175.619 0.015 18467 4097 1 6 . 1 1 84 84 ILE CA C 583 62.879 62.879 62.054 0.825 18467 4098 1 6 . 1 1 84 84 ILE CB C 583 39.028 39.028 35.984 3.044 18467 4099 1 6 . 1 1 84 84 ILE H H 583 7.307 7.307 7.462 -0.155 18467 4100 1 6 . 1 1 85 85 GLY N N 584 112.078 112.078 114.236 -2.158 18467 4101 1 6 . 1 1 85 85 GLY C C 584 173.113 173.113 174.232 -1.119 18467 4102 1 6 . 1 1 85 85 GLY CA C 584 45.639 45.639 44.780 0.859 18467 4103 1 6 . 1 1 85 85 GLY H H 584 7.953 7.953 7.724 0.229 18467 4104 1 6 . 1 1 86 86 ALA N N 585 125.109 125.109 122.615 2.494 18467 4105 1 6 . 1 1 86 86 ALA HA H 585 4.312 4.312 4.281 0.031 18467 4106 1 6 . 1 1 86 86 ALA C C 585 177.336 177.336 177.192 0.144 18467 4107 1 6 . 1 1 86 86 ALA CA C 585 54.080 54.080 54.470 -0.390 18467 4108 1 6 . 1 1 86 86 ALA CB C 585 19.745 19.745 19.306 0.439 18467 4109 1 6 . 1 1 86 86 ALA H H 585 8.295 8.295 8.278 0.017 18467 4110 1 6 . 1 1 87 87 LEU N N 586 118.488 118.488 118.016 0.472 18467 4111 1 6 . 1 1 87 87 LEU HA H 586 4.716 4.716 4.913 -0.197 18467 4112 1 6 . 1 1 87 87 LEU C C 586 175.578 175.578 175.045 0.533 18467 4113 1 6 . 1 1 87 87 LEU CA C 586 56.100 56.100 55.051 1.049 18467 4114 1 6 . 1 1 87 87 LEU CB C 586 43.651 43.651 45.719 -2.068 18467 4115 1 6 . 1 1 87 87 LEU H H 586 7.801 7.801 7.605 0.196 18467 4116 1 6 . 1 1 88 88 VAL N N 587 127.976 127.976 126.970 1.006 18467 4117 1 6 . 1 1 88 88 VAL HA H 587 4.308 4.308 4.517 -0.209 18467 4118 1 6 . 1 1 88 88 VAL C C 587 174.142 174.142 173.562 0.580 18467 4119 1 6 . 1 1 88 88 VAL CA C 587 61.428 61.428 60.056 1.373 18467 4120 1 6 . 1 1 88 88 VAL CB C 587 35.784 35.784 35.562 0.222 18467 4121 1 6 . 1 1 88 88 VAL H H 587 9.510 9.510 9.271 0.239 18467 4122 1 6 . 1 1 89 89 ARG N N 588 125.359 125.359 127.803 -2.444 18467 4123 1 6 . 1 1 89 89 ARG HA H 588 5.257 5.257 5.542 -0.285 18467 4124 1 6 . 1 1 89 89 ARG C C 588 175.003 175.003 175.309 -0.306 18467 4125 1 6 . 1 1 89 89 ARG CA C 588 54.807 54.807 54.464 0.343 18467 4126 1 6 . 1 1 89 89 ARG H H 588 8.622 8.622 8.395 0.227 18467 4127 1 6 . 1 1 90 90 LEU N N 589 127.862 127.862 125.500 2.362 18467 4128 1 6 . 1 1 90 90 LEU HA H 589 4.572 4.572 4.628 -0.056 18467 4129 1 6 . 1 1 90 90 LEU C C 589 174.955 174.955 175.324 -0.369 18467 4130 1 6 . 1 1 90 90 LEU CA C 589 53.115 53.115 53.107 0.008 18467 4131 1 6 . 1 1 90 90 LEU CB C 589 46.021 46.021 45.315 0.707 18467 4132 1 6 . 1 1 90 90 LEU H H 589 8.830 8.830 8.609 0.221 18467 4133 1 6 . 1 1 91 91 LYS N N 590 129.215 129.215 126.746 2.469 18467 4134 1 6 . 1 1 91 91 LYS HA H 590 4.062 4.062 4.438 -0.376 18467 4135 1 6 . 1 1 91 91 LYS C C 590 174.635 174.635 176.416 -1.781 18467 4136 1 6 . 1 1 91 91 LYS CA C 590 58.307 58.307 56.975 1.332 18467 4137 1 6 . 1 1 91 91 LYS CB C 590 32.514 32.514 33.220 -0.706 18467 4138 1 6 . 1 1 91 91 LYS H H 590 9.429 9.429 8.855 0.574 18467 4139 1 6 . 1 1 92 92 SER N N 591 121.512 121.512 120.018 1.494 18467 4140 1 6 . 1 1 92 92 SER HA H 591 5.581 5.581 5.113 0.468 18467 4141 1 6 . 1 1 92 92 SER C C 591 178.007 178.007 175.795 2.212 18467 4142 1 6 . 1 1 92 92 SER CA C 591 58.234 58.234 56.827 1.407 18467 4143 1 6 . 1 1 92 92 SER CB C 591 67.287 67.287 65.696 1.591 18467 4144 1 6 . 1 1 92 92 SER H H 591 7.995 7.995 8.924 -0.929 18467 4145 1 6 . 1 1 93 93 LEU N N 592 121.124 121.124 119.436 1.688 18467 4146 1 6 . 1 1 93 93 LEU HA H 592 4.300 4.300 4.268 0.032 18467 4147 1 6 . 1 1 93 93 LEU C C 592 178.518 178.518 179.285 -0.767 18467 4148 1 6 . 1 1 93 93 LEU CA C 592 57.245 57.245 56.881 0.364 18467 4149 1 6 . 1 1 93 93 LEU CB C 592 41.313 41.313 42.055 -0.742 18467 4150 1 6 . 1 1 93 93 LEU H H 592 9.336 9.336 8.406 0.930 18467 4151 1 6 . 1 1 94 94 GLN N N 593 118.739 118.739 118.590 0.149 18467 4152 1 6 . 1 1 94 94 GLN HA H 593 4.249 4.249 4.129 0.120 18467 4153 1 6 . 1 1 94 94 GLN C C 593 176.082 176.082 177.446 -1.364 18467 4154 1 6 . 1 1 94 94 GLN CA C 593 56.540 56.540 57.647 -1.107 18467 4155 1 6 . 1 1 94 94 GLN CB C 593 27.654 27.654 29.241 -1.587 18467 4156 1 6 . 1 1 94 94 GLN H H 593 7.491 7.491 7.845 -0.354 18467 4157 1 6 . 1 1 95 95 GLY N N 594 109.382 109.382 106.192 3.190 18467 4158 1 6 . 1 1 95 95 GLY C C 594 174.393 174.393 173.735 0.658 18467 4159 1 6 . 1 1 95 95 GLY CA C 594 45.457 45.457 44.830 0.627 18467 4160 1 6 . 1 1 95 95 GLY H H 594 7.631 7.631 7.866 -0.235 18467 4161 1 6 . 1 1 96 96 ASP N N 595 121.087 121.087 121.221 -0.134 18467 4162 1 6 . 1 1 96 96 ASP HA H 595 4.863 4.863 5.153 -0.290 18467 4163 1 6 . 1 1 96 96 ASP C C 595 177.273 177.273 174.338 2.935 18467 4164 1 6 . 1 1 96 96 ASP CA C 595 54.520 54.520 52.690 1.830 18467 4165 1 6 . 1 1 96 96 ASP CB C 595 41.277 41.277 43.506 -2.229 18467 4166 1 6 . 1 1 96 96 ASP H H 595 8.650 8.650 8.041 0.609 18467 4167 1 6 . 1 1 97 97 LYS N N 596 119.713 119.713 118.659 1.054 18467 4168 1 6 . 1 1 97 97 LYS HA H 596 5.025 5.025 4.952 0.073 18467 4169 1 6 . 1 1 97 97 LYS C C 596 176.566 176.566 175.906 0.660 18467 4170 1 6 . 1 1 97 97 LYS CA C 596 56.274 56.274 54.990 1.284 18467 4171 1 6 . 1 1 97 97 LYS CB C 596 33.771 33.771 35.027 -1.256 18467 4172 1 6 . 1 1 97 97 LYS H H 596 9.028 9.028 8.427 0.601 18467 4173 1 6 . 1 1 98 98 LEU N N 597 125.754 125.754 126.407 -0.653 18467 4174 1 6 . 1 1 98 98 LEU HA H 597 4.398 4.398 4.588 -0.190 18467 4175 1 6 . 1 1 98 98 LEU C C 597 176.144 176.144 176.433 -0.289 18467 4176 1 6 . 1 1 98 98 LEU CA C 597 53.899 53.899 54.650 -0.751 18467 4177 1 6 . 1 1 98 98 LEU CB C 597 45.148 45.148 42.023 3.125 18467 4178 1 6 . 1 1 98 98 LEU H H 597 9.336 9.336 9.200 0.136 18467 4179 1 6 . 1 1 99 99 GLU N N 598 121.101 121.101 125.779 -4.678 18467 4180 1 6 . 1 1 99 99 GLU HA H 598 4.662 4.662 4.362 0.300 18467 4181 1 6 . 1 1 99 99 GLU C C 598 175.132 175.132 175.331 -0.199 18467 4182 1 6 . 1 1 99 99 GLU CA C 598 55.714 55.714 55.698 0.016 18467 4183 1 6 . 1 1 99 99 GLU CB C 598 30.542 30.542 29.895 0.647 18467 4184 1 6 . 1 1 99 99 GLU H H 598 8.368 8.368 8.391 -0.023 18467 4185 1 6 . 1 1 100 100 VAL N N 599 130.595 130.595 128.765 1.830 18467 4186 1 6 . 1 1 100 100 VAL HA H 599 5.046 5.046 4.719 0.327 18467 4187 1 6 . 1 1 100 100 VAL C C 599 173.759 173.759 174.802 -1.043 18467 4188 1 6 . 1 1 100 100 VAL CA C 599 61.081 61.081 61.123 -0.042 18467 4189 1 6 . 1 1 100 100 VAL CB C 599 32.873 32.873 33.555 -0.682 18467 4190 1 6 . 1 1 100 100 VAL H H 599 9.337 9.337 8.782 0.555 18467 4191 1 6 . 1 1 101 101 SER N N 600 119.887 119.887 120.856 -0.969 18467 4192 1 6 . 1 1 101 101 SER HA H 600 4.943 4.943 4.932 0.011 18467 4193 1 6 . 1 1 101 101 SER C C 600 171.934 171.934 172.341 -0.407 18467 4194 1 6 . 1 1 101 101 SER CA C 600 56.540 56.540 56.395 0.145 18467 4195 1 6 . 1 1 101 101 SER CB C 600 67.405 67.405 66.607 0.798 18467 4196 1 6 . 1 1 101 101 SER H H 600 9.033 9.033 8.849 0.184 18467 4197 1 6 . 1 1 102 102 LEU N N 601 123.007 123.007 123.226 -0.219 18467 4198 1 6 . 1 1 102 102 LEU HA H 601 5.047 5.047 4.995 0.052 18467 4199 1 6 . 1 1 102 102 LEU C C 601 175.767 175.767 174.613 1.154 18467 4200 1 6 . 1 1 102 102 LEU CA C 601 54.324 54.324 54.347 -0.023 18467 4201 1 6 . 1 1 102 102 LEU CB C 601 45.374 45.374 44.944 0.430 18467 4202 1 6 . 1 1 102 102 LEU H H 601 7.930 7.930 8.249 -0.319 18467 4203 1 6 . 1 1 103 103 LYS N N 602 126.480 126.480 125.044 1.436 18467 4204 1 6 . 1 1 103 103 LYS HA H 602 4.457 4.457 4.671 -0.214 18467 4205 1 6 . 1 1 103 103 LYS CA C 602 55.707 55.707 55.044 0.663 18467 4206 1 6 . 1 1 103 103 LYS CB C 602 35.032 35.032 34.419 0.613 18467 4207 1 6 . 1 1 103 103 LYS H H 602 8.335 8.335 9.028 -0.693 18467 4208 1 6 . 1 1 104 104 ASN HA H 603 4.296 4.296 4.335 -0.039 18467 4209 1 6 . 1 1 104 104 ASN C C 603 174.156 174.156 174.882 -0.726 18467 4210 1 6 . 1 1 104 104 ASN CA C 603 54.724 54.724 53.675 1.049 18467 4211 1 6 . 1 1 104 104 ASN CB C 603 37.168 37.168 38.081 -0.913 18467 4212 1 6 . 1 1 105 105 ASN N N 604 108.763 108.763 111.941 -3.178 18467 4213 1 6 . 1 1 105 105 ASN HA H 604 4.167 4.167 4.362 -0.195 18467 4214 1 6 . 1 1 105 105 ASN C C 604 173.754 173.754 173.614 0.140 18467 4215 1 6 . 1 1 105 105 ASN CA C 604 55.146 55.146 54.465 0.681 18467 4216 1 6 . 1 1 105 105 ASN CB C 604 38.249 38.249 38.387 -0.138 18467 4217 1 6 . 1 1 105 105 ASN H H 604 8.682 8.682 8.502 0.180 18467 4218 1 6 . 1 1 106 106 VAL N N 605 121.612 121.612 120.853 0.759 18467 4219 1 6 . 1 1 106 106 VAL HA H 605 4.285 4.285 4.260 0.025 18467 4220 1 6 . 1 1 106 106 VAL C C 605 176.332 176.332 175.569 0.763 18467 4221 1 6 . 1 1 106 106 VAL CA C 605 62.112 62.112 60.682 1.430 18467 4222 1 6 . 1 1 106 106 VAL CB C 605 34.425 34.425 32.155 2.270 18467 4223 1 6 . 1 1 106 106 VAL H H 605 7.906 7.906 7.821 0.085 18467 4224 1 6 . 1 1 107 107 VAL N N 606 133.233 133.233 129.023 4.210 18467 4225 1 6 . 1 1 107 107 VAL HA H 606 4.615 4.615 4.785 -0.170 18467 4226 1 6 . 1 1 107 107 VAL C C 606 174.697 174.697 176.226 -1.529 18467 4227 1 6 . 1 1 107 107 VAL CA C 606 61.712 61.712 61.980 -0.268 18467 4228 1 6 . 1 1 107 107 VAL CB C 606 32.254 32.254 32.548 -0.294 18467 4229 1 6 . 1 1 107 107 VAL H H 606 9.422 9.422 8.746 0.676 18467 4230 1 6 . 1 1 108 108 SER N N 607 120.829 120.829 121.231 -0.402 18467 4231 1 6 . 1 1 108 108 SER HA H 607 5.360 5.360 5.340 0.020 18467 4232 1 6 . 1 1 108 108 SER C C 607 171.938 171.938 172.849 -0.911 18467 4233 1 6 . 1 1 108 108 SER CA C 607 57.031 57.031 57.403 -0.372 18467 4234 1 6 . 1 1 108 108 SER CB C 607 66.490 66.490 64.666 1.824 18467 4235 1 6 . 1 1 108 108 SER H H 607 9.113 9.113 9.126 -0.013 18467 4236 1 6 . 1 1 109 109 VAL N N 608 121.130 121.130 124.528 -3.398 18467 4237 1 6 . 1 1 109 109 VAL HA H 608 4.797 4.797 4.781 0.016 18467 4238 1 6 . 1 1 109 109 VAL C C 608 173.930 173.930 174.903 -0.973 18467 4239 1 6 . 1 1 109 109 VAL CA C 608 57.351 57.351 58.989 -1.637 18467 4240 1 6 . 1 1 109 109 VAL CB C 608 33.964 33.964 34.059 -0.094 18467 4241 1 6 . 1 1 109 109 VAL H H 608 9.120 9.120 8.758 0.362 18467 4242 1 6 . 1 1 110 110 ASN N N 609 128.284 128.284 126.835 1.449 18467 4243 1 6 . 1 1 110 110 ASN HA H 609 4.271 4.271 4.380 -0.109 18467 4244 1 6 . 1 1 110 110 ASN C C 609 175.369 175.369 174.564 0.805 18467 4245 1 6 . 1 1 110 110 ASN CA C 609 54.004 54.004 54.696 -0.692 18467 4246 1 6 . 1 1 110 110 ASN CB C 609 35.927 35.927 36.492 -0.566 18467 4247 1 6 . 1 1 110 110 ASN H H 609 9.777 9.777 8.796 0.981 18467 4248 1 6 . 1 1 111 111 LYS N N 610 107.711 107.711 108.755 -1.044 18467 4249 1 6 . 1 1 111 111 LYS HA H 610 3.660 3.660 3.942 -0.282 18467 4250 1 6 . 1 1 111 111 LYS C C 610 175.573 175.573 175.606 -0.033 18467 4251 1 6 . 1 1 111 111 LYS CA C 610 58.404 58.404 57.462 0.942 18467 4252 1 6 . 1 1 111 111 LYS CB C 610 30.549 30.549 29.648 0.901 18467 4253 1 6 . 1 1 111 111 LYS H H 610 8.290 8.290 8.287 0.003 18467 4254 1 6 . 1 1 112 112 GLU N N 611 125.822 125.822 119.754 6.068 18467 4255 1 6 . 1 1 112 112 GLU HA H 611 4.763 4.763 4.773 -0.010 18467 4256 1 6 . 1 1 112 112 GLU CA C 611 52.981 52.981 53.388 -0.407 18467 4257 1 6 . 1 1 112 112 GLU CB C 611 29.509 29.509 30.212 -0.703 18467 4258 1 6 . 1 1 112 112 GLU H H 611 8.595 8.595 7.936 0.659 18467 4259 1 6 . 1 1 113 113 PRO HA H 612 4.682 4.682 4.999 -0.317 18467 4260 1 6 . 1 1 113 113 PRO C C 612 177.310 177.310 176.382 0.928 18467 4261 1 6 . 1 1 113 113 PRO CA C 612 62.649 62.649 61.933 0.716 18467 4262 1 6 . 1 1 113 113 PRO CB C 612 32.139 32.139 32.212 -0.074 18467 4263 1 6 . 1 1 114 114 VAL N N 613 124.773 124.773 123.644 1.129 18467 4264 1 6 . 1 1 114 114 VAL HA H 613 4.274 4.274 3.928 0.346 18467 4265 1 6 . 1 1 114 114 VAL C C 613 176.558 176.558 176.037 0.521 18467 4266 1 6 . 1 1 114 114 VAL CA C 613 62.350 62.350 62.445 -0.095 18467 4267 1 6 . 1 1 114 114 VAL CB C 613 32.473 32.473 32.705 -0.232 18467 4268 1 6 . 1 1 114 114 VAL H H 613 9.214 9.214 8.605 0.609 18467 4269 1 6 . 1 1 115 115 ALA N N 614 132.583 132.583 130.517 2.066 18467 4270 1 6 . 1 1 115 115 ALA HA H 614 4.321 4.321 4.435 -0.114 18467 4271 1 6 . 1 1 115 115 ALA C C 614 178.354 178.354 177.061 1.293 18467 4272 1 6 . 1 1 115 115 ALA CA C 614 53.995 53.995 53.324 0.671 18467 4273 1 6 . 1 1 115 115 ALA CB C 614 19.616 19.616 20.090 -0.474 18467 4274 1 6 . 1 1 115 115 ALA H H 614 8.935 8.935 8.963 -0.028 18467 4275 1 6 . 1 1 116 116 GLU N N 615 115.172 115.172 118.578 -3.406 18467 4276 1 6 . 1 1 116 116 GLU HA H 615 4.866 4.866 4.902 -0.036 18467 4277 1 6 . 1 1 116 116 GLU CA C 615 53.432 53.432 52.845 0.587 18467 4278 1 6 . 1 1 116 116 GLU CB C 615 31.554 31.554 31.868 -0.314 18467 4279 1 6 . 1 1 116 116 GLU H H 615 6.867 6.867 8.148 -1.281 18467 4280 1 6 . 1 1 117 117 PRO HA H 616 5.651 5.651 4.746 0.905 18467 4281 1 6 . 1 1 117 117 PRO C C 616 177.099 177.099 176.700 0.399 18467 4282 1 6 . 1 1 117 117 PRO CA C 616 61.960 61.960 63.282 -1.321 18467 4283 1 6 . 1 1 117 117 PRO CB C 616 33.618 33.618 32.562 1.056 18467 4284 1 6 . 1 1 118 118 ASP N N 617 114.290 114.290 117.556 -3.266 18467 4285 1 6 . 1 1 118 118 ASP HA H 617 3.881 3.881 4.180 -0.299 18467 4286 1 6 . 1 1 118 118 ASP C C 617 174.967 174.967 176.402 -1.435 18467 4287 1 6 . 1 1 118 118 ASP CA C 617 54.921 54.921 55.389 -0.468 18467 4288 1 6 . 1 1 118 118 ASP CB C 617 37.857 37.857 40.489 -2.632 18467 4289 1 6 . 1 1 118 118 ASP H H 617 9.727 9.727 7.882 1.845 18467 4290 1 6 . 1 1 119 119 ILE N N 618 121.048 121.048 120.274 0.774 18467 4291 1 6 . 1 1 119 119 ILE HA H 618 4.037 4.037 4.035 0.002 18467 4292 1 6 . 1 1 119 119 ILE C C 618 175.869 175.869 175.264 0.605 18467 4293 1 6 . 1 1 119 119 ILE CA C 618 62.807 62.807 60.578 2.228 18467 4294 1 6 . 1 1 119 119 ILE CB C 618 36.618 36.618 37.148 -0.530 18467 4295 1 6 . 1 1 119 119 ILE H H 618 8.750 8.750 7.799 0.951 18467 4296 1 6 . 1 1 120 120 MET N N 619 125.674 125.674 127.485 -1.811 18467 4297 1 6 . 1 1 120 120 MET HA H 619 4.601 4.601 4.511 0.090 18467 4298 1 6 . 1 1 120 120 MET C C 619 174.817 174.817 175.157 -0.340 18467 4299 1 6 . 1 1 120 120 MET CA C 619 54.936 54.936 55.347 -0.411 18467 4300 1 6 . 1 1 120 120 MET CB C 619 31.313 31.313 32.759 -1.446 18467 4301 1 6 . 1 1 120 120 MET H H 619 8.080 8.080 7.948 0.132 18467 4302 1 6 . 1 1 121 121 ALA N N 620 122.849 122.849 124.915 -2.066 18467 4303 1 6 . 1 1 121 121 ALA HA H 620 4.902 4.902 4.806 0.096 18467 4304 1 6 . 1 1 121 121 ALA C C 620 177.908 177.908 179.210 -1.302 18467 4305 1 6 . 1 1 121 121 ALA CA C 620 49.986 49.986 50.243 -0.257 18467 4306 1 6 . 1 1 121 121 ALA CB C 620 23.115 23.115 21.394 1.721 18467 4307 1 6 . 1 1 121 121 ALA H H 620 8.377 8.377 8.307 0.070 18467 4308 1 6 . 1 1 122 122 THR N N 621 111.104 111.104 114.085 -2.981 18467 4309 1 6 . 1 1 122 122 THR HA H 621 4.051 4.051 4.039 0.012 18467 4310 1 6 . 1 1 122 122 THR C C 621 176.320 176.320 174.622 1.698 18467 4311 1 6 . 1 1 122 122 THR CA C 621 64.524 64.524 64.686 -0.162 18467 4312 1 6 . 1 1 122 122 THR CB C 621 68.391 68.391 68.833 -0.442 18467 4313 1 6 . 1 1 122 122 THR H H 621 9.183 9.183 8.847 0.336 18467 4314 1 6 . 1 1 123 123 ASN N N 622 117.445 117.445 116.740 0.705 18467 4315 1 6 . 1 1 123 123 ASN HA H 622 5.030 5.030 5.038 -0.008 18467 4316 1 6 . 1 1 123 123 ASN C C 622 173.263 173.263 174.581 -1.318 18467 4317 1 6 . 1 1 123 123 ASN CA C 622 51.203 51.203 52.065 -0.862 18467 4318 1 6 . 1 1 123 123 ASN CB C 622 37.076 37.076 38.836 -1.760 18467 4319 1 6 . 1 1 123 123 ASN H H 622 7.969 7.969 8.000 -0.031 18467 4320 1 6 . 1 1 124 124 GLY N N 623 102.705 102.705 107.506 -4.801 18467 4321 1 6 . 1 1 124 124 GLY C C 623 169.925 169.925 172.066 -2.141 18467 4322 1 6 . 1 1 124 124 GLY CA C 623 46.709 46.709 45.397 1.312 18467 4323 1 6 . 1 1 124 124 GLY H H 623 6.921 6.921 7.774 -0.853 18467 4324 1 6 . 1 1 125 125 VAL N N 624 119.913 119.913 117.938 1.975 18467 4325 1 6 . 1 1 125 125 VAL HA H 624 4.877 4.877 4.340 0.537 18467 4326 1 6 . 1 1 125 125 VAL C C 624 170.887 170.887 173.911 -3.024 18467 4327 1 6 . 1 1 125 125 VAL CA C 624 58.527 58.527 60.162 -1.635 18467 4328 1 6 . 1 1 125 125 VAL CB C 624 34.967 34.967 35.060 -0.093 18467 4329 1 6 . 1 1 125 125 VAL H H 624 8.485 8.485 8.613 -0.128 18467 4330 1 6 . 1 1 126 126 VAL N N 625 127.599 127.599 121.750 5.849 18467 4331 1 6 . 1 1 126 126 VAL HA H 625 4.619 4.619 4.814 -0.195 18467 4332 1 6 . 1 1 126 126 VAL C C 625 172.882 172.882 174.480 -1.598 18467 4333 1 6 . 1 1 126 126 VAL CA C 625 60.534 60.534 60.621 -0.087 18467 4334 1 6 . 1 1 126 126 VAL CB C 625 34.184 34.184 35.039 -0.855 18467 4335 1 6 . 1 1 126 126 VAL H H 625 9.106 9.106 8.665 0.441 18467 4336 1 6 . 1 1 127 127 HIS N N 626 124.292 124.292 126.147 -1.855 18467 4337 1 6 . 1 1 127 127 HIS HA H 626 5.494 5.494 4.951 0.543 18467 4338 1 6 . 1 1 127 127 HIS C C 626 175.629 175.629 174.781 0.848 18467 4339 1 6 . 1 1 127 127 HIS CA C 626 53.247 53.247 54.014 -0.767 18467 4340 1 6 . 1 1 127 127 HIS CB C 626 34.369 34.369 30.990 3.379 18467 4341 1 6 . 1 1 127 127 HIS H H 626 8.754 8.754 8.589 0.165 18467 4342 1 6 . 1 1 128 128 VAL N N 627 124.493 124.493 127.721 -3.228 18467 4343 1 6 . 1 1 128 128 VAL HA H 627 4.512 4.512 4.330 0.182 18467 4344 1 6 . 1 1 128 128 VAL C C 627 176.349 176.349 175.650 0.699 18467 4345 1 6 . 1 1 128 128 VAL CA C 627 64.730 64.730 64.213 0.518 18467 4346 1 6 . 1 1 128 128 VAL CB C 627 32.980 32.980 31.561 1.419 18467 4347 1 6 . 1 1 128 128 VAL H H 627 8.812 8.812 8.838 -0.026 18467 4348 1 6 . 1 1 129 129 ILE N N 628 121.077 121.077 122.095 -1.018 18467 4349 1 6 . 1 1 129 129 ILE HA H 628 5.118 5.118 4.802 0.316 18467 4350 1 6 . 1 1 129 129 ILE C C 628 175.190 175.190 175.963 -0.773 18467 4351 1 6 . 1 1 129 129 ILE CA C 628 60.217 60.217 59.474 0.743 18467 4352 1 6 . 1 1 129 129 ILE CB C 628 42.539 42.539 40.826 1.713 18467 4353 1 6 . 1 1 129 129 ILE H H 628 8.629 8.629 8.875 -0.246 18467 4354 1 6 . 1 1 130 130 THR N N 629 108.406 108.406 113.955 -5.549 18467 4355 1 6 . 1 1 130 130 THR HA H 629 4.671 4.671 4.425 0.246 18467 4356 1 6 . 1 1 130 130 THR C C 629 172.980 172.980 174.364 -1.384 18467 4357 1 6 . 1 1 130 130 THR CA C 629 61.381 61.381 61.467 -0.086 18467 4358 1 6 . 1 1 130 130 THR CB C 629 68.784 68.784 69.357 -0.573 18467 4359 1 6 . 1 1 130 130 THR H H 629 9.368 9.368 8.573 0.795 18467 4360 1 6 . 1 1 131 131 ASN N N 630 117.533 117.533 118.807 -1.274 18467 4361 1 6 . 1 1 131 131 ASN HA H 630 4.754 4.754 5.004 -0.250 18467 4362 1 6 . 1 1 131 131 ASN C C 630 172.493 172.493 173.700 -1.207 18467 4363 1 6 . 1 1 131 131 ASN CA C 630 52.575 52.575 52.011 0.564 18467 4364 1 6 . 1 1 131 131 ASN CB C 630 43.079 43.079 41.885 1.194 18467 4365 1 6 . 1 1 131 131 ASN H H 630 7.355 7.355 7.684 -0.329 18467 4366 1 6 . 1 1 132 132 VAL N N 631 117.886 117.886 122.308 -4.422 18467 4367 1 6 . 1 1 132 132 VAL HA H 631 3.914 3.914 4.200 -0.286 18467 4368 1 6 . 1 1 132 132 VAL C C 631 176.909 176.909 174.829 2.080 18467 4369 1 6 . 1 1 132 132 VAL CA C 631 62.424 62.424 61.187 1.237 18467 4370 1 6 . 1 1 132 132 VAL CB C 631 32.453 32.453 32.939 -0.486 18467 4371 1 6 . 1 1 132 132 VAL H H 631 8.087 8.087 8.491 -0.404 18467 4372 1 6 . 1 1 133 133 LEU N N 632 130.948 130.948 127.141 3.807 18467 4373 1 6 . 1 1 133 133 LEU HA H 632 4.220 4.220 4.635 -0.415 18467 4374 1 6 . 1 1 133 133 LEU CA C 632 55.468 55.468 53.822 1.646 18467 4375 1 6 . 1 1 133 133 LEU H H 632 10.937 10.937 8.102 2.835 18467 4376 1 6 . 1 1 134 134 GLN N N 633 118.157 118.157 118.484 -0.327 18467 4377 1 6 . 1 1 134 134 GLN HA H 633 4.361 4.361 4.590 -0.229 18467 4378 1 6 . 1 1 134 134 GLN CA C 633 55.043 55.043 54.843 0.200 18467 4379 1 6 . 1 1 134 134 GLN CB C 633 31.449 31.449 31.232 0.217 18467 4380 1 6 . 1 1 134 134 GLN H H 633 7.992 7.992 8.214 -0.222 18467 4381 1 7 . 1 1 3 3 MET C C 502 175.861 175.861 175.742 0.119 18467 4382 1 7 . 1 1 3 3 MET CA C 502 55.905 55.905 56.358 -0.453 18467 4383 1 7 . 1 1 3 3 MET CB C 502 34.158 34.158 33.257 0.901 18467 4384 1 7 . 1 1 4 4 GLY N N 503 111.094 111.094 104.796 6.298 18467 4385 1 7 . 1 1 4 4 GLY C C 503 173.998 173.998 172.822 1.176 18467 4386 1 7 . 1 1 4 4 GLY CA C 503 44.482 44.482 44.457 0.025 18467 4387 1 7 . 1 1 4 4 GLY H H 503 8.376 8.376 7.702 0.674 18467 4388 1 7 . 1 1 5 5 THR N N 504 111.539 111.539 112.319 -0.780 18467 4389 1 7 . 1 1 5 5 THR HA H 504 4.440 4.440 4.469 -0.029 18467 4390 1 7 . 1 1 5 5 THR C C 504 176.360 176.360 176.371 -0.011 18467 4391 1 7 . 1 1 5 5 THR CA C 504 61.986 61.986 60.411 1.575 18467 4392 1 7 . 1 1 5 5 THR CB C 504 73.034 73.034 70.751 2.283 18467 4393 1 7 . 1 1 5 5 THR H H 504 9.233 9.233 7.939 1.294 18467 4394 1 7 . 1 1 6 6 VAL N N 505 118.212 118.212 120.176 -1.964 18467 4395 1 7 . 1 1 6 6 VAL HA H 505 3.250 3.250 3.616 -0.366 18467 4396 1 7 . 1 1 6 6 VAL C C 505 177.264 177.264 177.928 -0.664 18467 4397 1 7 . 1 1 6 6 VAL CA C 505 67.200 67.200 66.777 0.423 18467 4398 1 7 . 1 1 6 6 VAL CB C 505 31.657 31.657 31.060 0.597 18467 4399 1 7 . 1 1 6 6 VAL H H 505 9.918 9.918 9.010 0.908 18467 4400 1 7 . 1 1 7 7 MET N N 506 114.107 114.107 117.160 -3.053 18467 4401 1 7 . 1 1 7 7 MET HA H 506 4.361 4.361 4.107 0.254 18467 4402 1 7 . 1 1 7 7 MET C C 506 178.097 178.097 178.347 -0.250 18467 4403 1 7 . 1 1 7 7 MET CA C 506 56.075 56.075 57.621 -1.546 18467 4404 1 7 . 1 1 7 7 MET CB C 506 30.910 30.910 31.755 -0.845 18467 4405 1 7 . 1 1 7 7 MET H H 506 6.975 6.975 7.922 -0.947 18467 4406 1 7 . 1 1 8 8 ASP N N 507 120.374 120.374 120.235 0.139 18467 4407 1 7 . 1 1 8 8 ASP HA H 507 4.255 4.255 4.443 -0.188 18467 4408 1 7 . 1 1 8 8 ASP C C 507 179.824 179.824 178.670 1.154 18467 4409 1 7 . 1 1 8 8 ASP CA C 507 58.088 58.088 57.465 0.623 18467 4410 1 7 . 1 1 8 8 ASP CB C 507 40.526 40.526 40.970 -0.444 18467 4411 1 7 . 1 1 8 8 ASP H H 507 7.430 7.430 7.689 -0.259 18467 4412 1 7 . 1 1 9 9 VAL N N 508 121.326 121.326 119.669 1.657 18467 4413 1 7 . 1 1 9 9 VAL HA H 508 3.567 3.567 3.596 -0.029 18467 4414 1 7 . 1 1 9 9 VAL C C 508 179.115 179.115 177.630 1.485 18467 4415 1 7 . 1 1 9 9 VAL CA C 508 66.131 66.131 66.519 -0.388 18467 4416 1 7 . 1 1 9 9 VAL CB C 508 31.666 31.666 31.875 -0.209 18467 4417 1 7 . 1 1 9 9 VAL H H 508 8.174 8.174 8.097 0.077 18467 4418 1 7 . 1 1 10 10 LEU N N 509 117.258 117.258 115.520 1.738 18467 4419 1 7 . 1 1 10 10 LEU HA H 509 4.039 4.039 4.410 -0.371 18467 4420 1 7 . 1 1 10 10 LEU C C 509 179.091 179.091 178.009 1.082 18467 4421 1 7 . 1 1 10 10 LEU CA C 509 57.372 57.372 56.657 0.715 18467 4422 1 7 . 1 1 10 10 LEU CB C 509 41.839 41.839 41.304 0.535 18467 4423 1 7 . 1 1 10 10 LEU H H 509 7.896 7.896 7.587 0.309 18467 4424 1 7 . 1 1 11 11 LYS N N 510 114.824 114.824 117.169 -2.345 18467 4425 1 7 . 1 1 11 11 LYS HA H 510 3.959 3.959 4.264 -0.305 18467 4426 1 7 . 1 1 11 11 LYS C C 510 178.021 178.021 178.205 -0.184 18467 4427 1 7 . 1 1 11 11 LYS CA C 510 59.047 59.047 58.117 0.930 18467 4428 1 7 . 1 1 11 11 LYS CB C 510 32.771 32.771 32.698 0.073 18467 4429 1 7 . 1 1 11 11 LYS H H 510 8.377 8.377 7.551 0.826 18467 4430 1 7 . 1 1 12 12 GLY N N 511 104.574 104.574 106.640 -2.066 18467 4431 1 7 . 1 1 12 12 GLY C C 511 172.564 172.564 173.782 -1.218 18467 4432 1 7 . 1 1 12 12 GLY CA C 511 45.442 45.442 44.859 0.583 18467 4433 1 7 . 1 1 12 12 GLY H H 511 7.590 7.590 7.675 -0.085 18467 4434 1 7 . 1 1 13 13 ASP N N 512 120.194 120.194 119.514 0.680 18467 4435 1 7 . 1 1 13 13 ASP HA H 512 4.992 4.992 4.736 0.256 18467 4436 1 7 . 1 1 13 13 ASP CA C 512 52.469 52.469 52.769 -0.300 18467 4437 1 7 . 1 1 13 13 ASP CB C 512 43.985 43.985 43.490 0.495 18467 4438 1 7 . 1 1 13 13 ASP H H 512 7.074 7.074 7.489 -0.415 18467 4439 1 7 . 1 1 14 14 ASN HA H 513 4.447 4.447 4.623 -0.176 18467 4440 1 7 . 1 1 14 14 ASN C C 513 176.709 176.709 177.080 -0.371 18467 4441 1 7 . 1 1 14 14 ASN CA C 513 55.819 55.819 54.937 0.882 18467 4442 1 7 . 1 1 14 14 ASN CB C 513 38.100 38.100 38.580 -0.480 18467 4443 1 7 . 1 1 15 15 ARG N N 514 118.980 118.980 119.328 -0.348 18467 4444 1 7 . 1 1 15 15 ARG HA H 514 4.139 4.139 4.059 0.080 18467 4445 1 7 . 1 1 15 15 ARG C C 514 176.109 176.109 176.047 0.062 18467 4446 1 7 . 1 1 15 15 ARG CA C 514 58.061 58.061 58.564 -0.503 18467 4447 1 7 . 1 1 15 15 ARG CB C 514 30.691 30.691 29.973 0.718 18467 4448 1 7 . 1 1 15 15 ARG H H 514 8.573 8.573 8.638 -0.065 18467 4449 1 7 . 1 1 16 16 PHE N N 515 113.150 113.150 115.093 -1.943 18467 4450 1 7 . 1 1 16 16 PHE HA H 515 5.793 5.793 5.096 0.697 18467 4451 1 7 . 1 1 16 16 PHE C C 515 176.420 176.420 176.106 0.314 18467 4452 1 7 . 1 1 16 16 PHE CA C 515 55.966 55.966 54.943 1.023 18467 4453 1 7 . 1 1 16 16 PHE CB C 515 38.644 38.644 38.234 0.410 18467 4454 1 7 . 1 1 16 16 PHE H H 515 7.592 7.592 7.285 0.307 18467 4455 1 7 . 1 1 17 17 SER N N 516 116.649 116.649 118.382 -1.733 18467 4456 1 7 . 1 1 17 17 SER HA H 516 4.062 4.062 4.245 -0.183 18467 4457 1 7 . 1 1 17 17 SER C C 516 178.631 178.631 176.481 2.150 18467 4458 1 7 . 1 1 17 17 SER CA C 516 62.695 62.695 61.966 0.729 18467 4459 1 7 . 1 1 17 17 SER CB C 516 62.147 62.147 63.475 -1.328 18467 4460 1 7 . 1 1 17 17 SER H H 516 7.527 7.527 7.661 -0.134 18467 4461 1 7 . 1 1 18 18 MET N N 517 124.591 124.591 119.924 4.667 18467 4462 1 7 . 1 1 18 18 MET HA H 517 4.122 4.122 4.339 -0.217 18467 4463 1 7 . 1 1 18 18 MET C C 517 177.503 177.503 177.711 -0.208 18467 4464 1 7 . 1 1 18 18 MET CA C 517 59.707 59.707 57.128 2.579 18467 4465 1 7 . 1 1 18 18 MET CB C 517 32.304 32.304 32.000 0.304 18467 4466 1 7 . 1 1 18 18 MET H H 517 9.271 9.271 8.002 1.269 18467 4467 1 7 . 1 1 19 19 LEU N N 518 123.039 123.039 120.152 2.887 18467 4468 1 7 . 1 1 19 19 LEU HA H 518 3.893 3.893 4.122 -0.229 18467 4469 1 7 . 1 1 19 19 LEU C C 518 178.414 178.414 178.151 0.263 18467 4470 1 7 . 1 1 19 19 LEU CA C 518 58.118 58.118 58.216 -0.098 18467 4471 1 7 . 1 1 19 19 LEU CB C 518 41.221 41.221 41.797 -0.576 18467 4472 1 7 . 1 1 19 19 LEU H H 518 8.587 8.587 8.102 0.485 18467 4473 1 7 . 1 1 20 20 VAL N N 519 118.518 118.518 119.122 -0.604 18467 4474 1 7 . 1 1 20 20 VAL HA H 519 3.322 3.322 3.493 -0.171 18467 4475 1 7 . 1 1 20 20 VAL C C 519 178.032 178.032 177.820 0.212 18467 4476 1 7 . 1 1 20 20 VAL CA C 519 67.874 67.874 67.290 0.584 18467 4477 1 7 . 1 1 20 20 VAL CB C 519 31.600 31.600 30.817 0.783 18467 4478 1 7 . 1 1 20 20 VAL H H 519 9.070 9.070 7.954 1.116 18467 4479 1 7 . 1 1 21 21 ALA N N 520 122.534 122.534 120.616 1.918 18467 4480 1 7 . 1 1 21 21 ALA HA H 520 4.165 4.165 3.988 0.177 18467 4481 1 7 . 1 1 21 21 ALA C C 520 180.604 180.604 179.340 1.264 18467 4482 1 7 . 1 1 21 21 ALA CA C 520 55.125 55.125 54.972 0.153 18467 4483 1 7 . 1 1 21 21 ALA CB C 520 17.702 17.702 17.896 -0.194 18467 4484 1 7 . 1 1 21 21 ALA H H 520 7.594 7.594 7.447 0.147 18467 4485 1 7 . 1 1 22 22 ALA N N 521 123.185 123.185 122.405 0.780 18467 4486 1 7 . 1 1 22 22 ALA HA H 521 3.945 3.945 3.873 0.072 18467 4487 1 7 . 1 1 22 22 ALA C C 521 178.468 178.468 179.538 -1.070 18467 4488 1 7 . 1 1 22 22 ALA CA C 521 54.905 54.905 54.552 0.353 18467 4489 1 7 . 1 1 22 22 ALA CB C 521 17.956 17.956 18.340 -0.384 18467 4490 1 7 . 1 1 22 22 ALA H H 521 8.549 8.549 7.865 0.684 18467 4491 1 7 . 1 1 23 23 ILE N N 522 120.269 120.269 118.409 1.860 18467 4492 1 7 . 1 1 23 23 ILE HA H 522 3.275 3.275 3.452 -0.177 18467 4493 1 7 . 1 1 23 23 ILE C C 522 178.024 178.024 177.927 0.097 18467 4494 1 7 . 1 1 23 23 ILE CA C 522 66.015 66.015 65.174 0.841 18467 4495 1 7 . 1 1 23 23 ILE CB C 522 38.407 38.407 37.580 0.827 18467 4496 1 7 . 1 1 23 23 ILE H H 522 8.963 8.963 8.396 0.567 18467 4497 1 7 . 1 1 24 24 GLN N N 523 118.677 118.677 119.793 -1.116 18467 4498 1 7 . 1 1 24 24 GLN HA H 523 4.169 4.169 4.038 0.131 18467 4499 1 7 . 1 1 24 24 GLN C C 523 180.200 180.200 178.298 1.902 18467 4500 1 7 . 1 1 24 24 GLN CA C 523 58.567 58.567 58.474 0.093 18467 4501 1 7 . 1 1 24 24 GLN CB C 523 27.611 27.611 28.198 -0.587 18467 4502 1 7 . 1 1 24 24 GLN H H 523 7.976 7.976 8.170 -0.194 18467 4503 1 7 . 1 1 25 25 SER N N 524 117.810 117.810 114.316 3.494 18467 4504 1 7 . 1 1 25 25 SER C C 524 175.679 175.679 175.146 0.533 18467 4505 1 7 . 1 1 25 25 SER CA C 524 62.046 62.046 60.664 1.381 18467 4506 1 7 . 1 1 25 25 SER CB C 524 63.015 63.015 63.058 -0.043 18467 4507 1 7 . 1 1 25 25 SER H H 524 8.311 8.311 7.783 0.528 18467 4508 1 7 . 1 1 26 26 ALA N N 525 119.017 119.017 120.454 -1.437 18467 4509 1 7 . 1 1 26 26 ALA HA H 525 4.307 4.307 4.366 -0.059 18467 4510 1 7 . 1 1 26 26 ALA C C 525 176.838 176.838 178.545 -1.707 18467 4511 1 7 . 1 1 26 26 ALA CA C 525 52.205 52.205 52.394 -0.189 18467 4512 1 7 . 1 1 26 26 ALA CB C 525 19.912 19.912 19.123 0.789 18467 4513 1 7 . 1 1 26 26 ALA H H 525 8.322 8.322 6.964 1.358 18467 4514 1 7 . 1 1 27 27 GLY N N 526 105.650 105.650 106.368 -0.718 18467 4515 1 7 . 1 1 27 27 GLY C C 526 176.606 176.606 175.499 1.107 18467 4516 1 7 . 1 1 27 27 GLY CA C 526 46.361 46.361 46.083 0.278 18467 4517 1 7 . 1 1 27 27 GLY H H 526 7.749 7.749 8.253 -0.504 18467 4518 1 7 . 1 1 28 28 LEU N N 527 118.441 118.441 116.851 1.590 18467 4519 1 7 . 1 1 28 28 LEU HA H 527 4.452 4.452 4.542 -0.090 18467 4520 1 7 . 1 1 28 28 LEU C C 527 175.786 175.786 177.338 -1.552 18467 4521 1 7 . 1 1 28 28 LEU CA C 527 54.774 54.774 54.096 0.678 18467 4522 1 7 . 1 1 28 28 LEU CB C 527 45.162 45.162 39.664 5.497 18467 4523 1 7 . 1 1 28 28 LEU H H 527 8.100 8.100 7.411 0.689 18467 4524 1 7 . 1 1 29 29 THR N N 528 117.975 117.975 117.277 0.698 18467 4525 1 7 . 1 1 29 29 THR HA H 528 3.539 3.539 3.826 -0.287 18467 4526 1 7 . 1 1 29 29 THR C C 528 175.468 175.468 176.214 -0.746 18467 4527 1 7 . 1 1 29 29 THR CA C 528 66.819 66.819 67.607 -0.788 18467 4528 1 7 . 1 1 29 29 THR CB C 528 68.696 68.696 68.309 0.387 18467 4529 1 7 . 1 1 29 29 THR H H 528 7.584 7.584 8.075 -0.491 18467 4530 1 7 . 1 1 30 30 GLU N N 529 117.727 117.727 119.648 -1.921 18467 4531 1 7 . 1 1 30 30 GLU HA H 529 3.986 3.986 3.977 0.009 18467 4532 1 7 . 1 1 30 30 GLU C C 529 179.348 179.348 178.586 0.762 18467 4533 1 7 . 1 1 30 30 GLU CA C 529 59.738 59.738 59.113 0.625 18467 4534 1 7 . 1 1 30 30 GLU CB C 529 28.596 28.596 29.170 -0.574 18467 4535 1 7 . 1 1 30 30 GLU H H 529 8.304 8.304 8.194 0.110 18467 4536 1 7 . 1 1 31 31 THR N N 530 116.063 116.063 115.157 0.906 18467 4537 1 7 . 1 1 31 31 THR HA H 530 3.758 3.758 4.031 -0.273 18467 4538 1 7 . 1 1 31 31 THR C C 530 175.858 175.858 175.651 0.207 18467 4539 1 7 . 1 1 31 31 THR CA C 530 67.207 67.207 66.218 0.989 18467 4540 1 7 . 1 1 31 31 THR CB C 530 69.145 69.145 68.774 0.371 18467 4541 1 7 . 1 1 31 31 THR H H 530 7.698 7.698 7.510 0.188 18467 4542 1 7 . 1 1 32 32 LEU N N 531 116.755 116.755 118.472 -1.717 18467 4543 1 7 . 1 1 32 32 LEU HA H 531 3.921 3.921 4.210 -0.289 18467 4544 1 7 . 1 1 32 32 LEU C C 531 176.163 176.163 178.148 -1.985 18467 4545 1 7 . 1 1 32 32 LEU CA C 531 55.681 55.681 55.218 0.463 18467 4546 1 7 . 1 1 32 32 LEU CB C 531 41.417 41.417 41.200 0.217 18467 4547 1 7 . 1 1 32 32 LEU H H 531 7.108 7.108 7.484 -0.376 18467 4548 1 7 . 1 1 33 33 ASN N N 532 118.731 118.731 118.647 0.084 18467 4549 1 7 . 1 1 33 33 ASN HA H 532 4.973 4.973 4.637 0.336 18467 4550 1 7 . 1 1 33 33 ASN C C 532 174.820 174.820 175.554 -0.734 18467 4551 1 7 . 1 1 33 33 ASN CA C 532 52.139 52.139 54.886 -2.747 18467 4552 1 7 . 1 1 33 33 ASN CB C 532 40.952 40.952 39.328 1.624 18467 4553 1 7 . 1 1 33 33 ASN H H 532 7.751 7.751 7.789 -0.038 18467 4554 1 7 . 1 1 34 34 ARG N N 533 119.562 119.562 119.797 -0.235 18467 4555 1 7 . 1 1 34 34 ARG HA H 533 4.531 4.531 4.495 0.036 18467 4556 1 7 . 1 1 34 34 ARG C C 533 175.355 175.355 174.812 0.543 18467 4557 1 7 . 1 1 34 34 ARG CA C 533 55.591 55.591 54.989 0.602 18467 4558 1 7 . 1 1 34 34 ARG CB C 533 32.007 32.007 32.205 -0.198 18467 4559 1 7 . 1 1 34 34 ARG H H 533 7.296 7.296 7.339 -0.043 18467 4560 1 7 . 1 1 35 35 GLU N N 534 120.049 120.049 120.238 -0.189 18467 4561 1 7 . 1 1 35 35 GLU HA H 534 4.238 4.238 4.224 0.014 18467 4562 1 7 . 1 1 35 35 GLU C C 534 176.281 176.281 176.120 0.161 18467 4563 1 7 . 1 1 35 35 GLU CA C 534 57.698 57.698 57.818 -0.119 18467 4564 1 7 . 1 1 35 35 GLU CB C 534 29.807 29.807 29.668 0.139 18467 4565 1 7 . 1 1 35 35 GLU H H 534 8.508 8.508 8.564 -0.056 18467 4566 1 7 . 1 1 36 36 GLY N N 535 110.987 110.987 110.954 0.033 18467 4567 1 7 . 1 1 36 36 GLY C C 535 170.566 170.566 171.967 -1.401 18467 4568 1 7 . 1 1 36 36 GLY CA C 535 44.853 44.853 44.398 0.455 18467 4569 1 7 . 1 1 36 36 GLY H H 535 7.949 7.949 8.390 -0.441 18467 4570 1 7 . 1 1 37 37 VAL N N 536 114.744 114.744 116.186 -1.442 18467 4571 1 7 . 1 1 37 37 VAL HA H 536 4.126 4.126 4.749 -0.623 18467 4572 1 7 . 1 1 37 37 VAL C C 536 173.026 173.026 174.320 -1.294 18467 4573 1 7 . 1 1 37 37 VAL CA C 536 59.318 59.318 59.752 -0.434 18467 4574 1 7 . 1 1 37 37 VAL CB C 536 33.633 33.633 33.198 0.435 18467 4575 1 7 . 1 1 37 37 VAL H H 536 7.189 7.189 7.848 -0.659 18467 4576 1 7 . 1 1 38 38 TYR N N 537 117.326 117.326 124.173 -6.847 18467 4577 1 7 . 1 1 38 38 TYR HA H 537 5.187 5.187 5.027 0.160 18467 4578 1 7 . 1 1 38 38 TYR C C 537 176.236 176.236 175.097 1.139 18467 4579 1 7 . 1 1 38 38 TYR CA C 537 56.755 56.755 56.779 -0.024 18467 4580 1 7 . 1 1 38 38 TYR CB C 537 42.471 42.471 42.982 -0.511 18467 4581 1 7 . 1 1 38 38 TYR H H 537 7.491 7.491 8.250 -0.759 18467 4582 1 7 . 1 1 39 39 THR N N 538 117.089 117.089 119.922 -2.833 18467 4583 1 7 . 1 1 39 39 THR HA H 538 4.789 4.789 4.830 -0.041 18467 4584 1 7 . 1 1 39 39 THR C C 538 173.433 173.433 173.566 -0.133 18467 4585 1 7 . 1 1 39 39 THR CA C 538 62.170 62.170 62.033 0.137 18467 4586 1 7 . 1 1 39 39 THR CB C 538 70.774 70.774 69.674 1.100 18467 4587 1 7 . 1 1 39 39 THR H H 538 7.902 7.902 8.452 -0.550 18467 4588 1 7 . 1 1 40 40 VAL N N 539 126.906 126.906 128.078 -1.172 18467 4589 1 7 . 1 1 40 40 VAL HA H 539 4.523 4.523 4.848 -0.325 18467 4590 1 7 . 1 1 40 40 VAL C C 539 173.960 173.960 174.693 -0.733 18467 4591 1 7 . 1 1 40 40 VAL CA C 539 61.184 61.184 60.771 0.413 18467 4592 1 7 . 1 1 40 40 VAL CB C 539 33.968 33.968 33.213 0.755 18467 4593 1 7 . 1 1 40 40 VAL H H 539 9.183 9.183 9.043 0.140 18467 4594 1 7 . 1 1 41 41 PHE N N 540 128.634 128.634 127.948 0.686 18467 4595 1 7 . 1 1 41 41 PHE HA H 540 5.332 5.332 4.795 0.537 18467 4596 1 7 . 1 1 41 41 PHE C C 540 173.378 173.378 175.107 -1.729 18467 4597 1 7 . 1 1 41 41 PHE CA C 540 57.718 57.718 57.418 0.300 18467 4598 1 7 . 1 1 41 41 PHE CB C 540 38.255 38.255 39.078 -0.823 18467 4599 1 7 . 1 1 41 41 PHE H H 540 9.084 9.084 8.914 0.170 18467 4600 1 7 . 1 1 42 42 ALA N N 541 125.989 125.989 129.487 -3.498 18467 4601 1 7 . 1 1 42 42 ALA HA H 541 4.499 4.499 4.822 -0.323 18467 4602 1 7 . 1 1 42 42 ALA CA C 541 49.035 49.035 48.731 0.304 18467 4603 1 7 . 1 1 42 42 ALA CB C 541 22.804 22.804 19.591 3.213 18467 4604 1 7 . 1 1 42 42 ALA H H 541 8.572 8.572 8.924 -0.352 18467 4605 1 7 . 1 1 43 43 PRO HA H 542 5.030 5.030 5.293 -0.263 18467 4606 1 7 . 1 1 43 43 PRO C C 542 177.796 177.796 177.385 0.411 18467 4607 1 7 . 1 1 43 43 PRO CA C 542 60.823 60.823 62.067 -1.244 18467 4608 1 7 . 1 1 43 43 PRO CB C 542 31.462 31.462 32.653 -1.191 18467 4609 1 7 . 1 1 44 44 THR N N 543 111.786 111.786 113.740 -1.954 18467 4610 1 7 . 1 1 44 44 THR HA H 543 4.423 4.423 4.766 -0.343 18467 4611 1 7 . 1 1 44 44 THR C C 543 176.323 176.323 176.126 0.197 18467 4612 1 7 . 1 1 44 44 THR CA C 543 60.816 60.816 59.980 0.836 18467 4613 1 7 . 1 1 44 44 THR CB C 543 71.498 71.498 70.339 1.159 18467 4614 1 7 . 1 1 44 44 THR H H 543 7.739 7.739 8.295 -0.556 18467 4615 1 7 . 1 1 45 45 ASN N N 544 118.432 118.432 118.468 -0.036 18467 4616 1 7 . 1 1 45 45 ASN HA H 544 4.621 4.621 4.658 -0.037 18467 4617 1 7 . 1 1 45 45 ASN C C 544 177.738 177.738 176.002 1.736 18467 4618 1 7 . 1 1 45 45 ASN CA C 544 56.092 56.092 55.922 0.170 18467 4619 1 7 . 1 1 45 45 ASN CB C 544 37.329 37.329 38.887 -1.558 18467 4620 1 7 . 1 1 45 45 ASN H H 544 8.679 8.679 8.331 0.348 18467 4621 1 7 . 1 1 46 46 GLU N N 545 117.774 117.774 117.560 0.214 18467 4622 1 7 . 1 1 46 46 GLU HA H 545 3.800 3.800 4.193 -0.393 18467 4623 1 7 . 1 1 46 46 GLU C C 545 178.277 178.277 177.724 0.553 18467 4624 1 7 . 1 1 46 46 GLU CA C 545 60.129 60.129 58.799 1.330 18467 4625 1 7 . 1 1 46 46 GLU CB C 545 29.254 29.254 29.060 0.194 18467 4626 1 7 . 1 1 46 46 GLU H H 545 8.213 8.213 8.334 -0.121 18467 4627 1 7 . 1 1 47 47 ALA N N 546 121.430 121.430 122.182 -0.752 18467 4628 1 7 . 1 1 47 47 ALA HA H 546 3.965 3.965 4.346 -0.381 18467 4629 1 7 . 1 1 47 47 ALA C C 546 180.270 180.270 179.256 1.014 18467 4630 1 7 . 1 1 47 47 ALA CA C 546 54.894 54.894 54.150 0.744 18467 4631 1 7 . 1 1 47 47 ALA CB C 546 19.469 19.469 18.312 1.157 18467 4632 1 7 . 1 1 47 47 ALA H H 546 7.344 7.344 7.273 0.071 18467 4633 1 7 . 1 1 48 48 PHE N N 547 115.617 115.617 116.303 -0.686 18467 4634 1 7 . 1 1 48 48 PHE HA H 547 3.923 3.923 4.420 -0.497 18467 4635 1 7 . 1 1 48 48 PHE C C 547 178.849 178.849 176.589 2.260 18467 4636 1 7 . 1 1 48 48 PHE CA C 547 61.460 61.460 59.583 1.877 18467 4637 1 7 . 1 1 48 48 PHE CB C 547 38.400 38.400 38.219 0.181 18467 4638 1 7 . 1 1 48 48 PHE H H 547 7.128 7.128 7.205 -0.077 18467 4639 1 7 . 1 1 49 49 ARG N N 548 118.721 118.721 116.543 2.178 18467 4640 1 7 . 1 1 49 49 ARG C C 548 175.961 175.961 176.403 -0.442 18467 4641 1 7 . 1 1 49 49 ARG CA C 548 58.359 58.359 55.289 3.070 18467 4642 1 7 . 1 1 49 49 ARG CB C 548 30.082 30.082 30.193 -0.111 18467 4643 1 7 . 1 1 49 49 ARG H H 548 8.233 8.233 7.578 0.655 18467 4644 1 7 . 1 1 50 50 ALA N N 549 118.911 118.911 121.183 -2.272 18467 4645 1 7 . 1 1 50 50 ALA HA H 549 4.309 4.309 4.371 -0.062 18467 4646 1 7 . 1 1 50 50 ALA C C 549 178.758 178.758 177.378 1.380 18467 4647 1 7 . 1 1 50 50 ALA CA C 549 52.405 52.405 52.531 -0.126 18467 4648 1 7 . 1 1 50 50 ALA CB C 549 18.856 18.856 20.127 -1.271 18467 4649 1 7 . 1 1 50 50 ALA H H 549 7.166 7.166 7.601 -0.435 18467 4650 1 7 . 1 1 51 51 LEU N N 550 119.543 119.543 121.026 -1.483 18467 4651 1 7 . 1 1 51 51 LEU HA H 550 4.541 4.541 4.729 -0.188 18467 4652 1 7 . 1 1 51 51 LEU CA C 550 53.504 53.504 51.926 1.578 18467 4653 1 7 . 1 1 51 51 LEU CB C 550 41.195 41.195 42.939 -1.744 18467 4654 1 7 . 1 1 51 51 LEU H H 550 7.130 7.130 7.344 -0.214 18467 4655 1 7 . 1 1 52 52 PRO HA H 551 4.780 4.780 4.765 0.015 18467 4656 1 7 . 1 1 52 52 PRO CA C 551 61.356 61.356 61.372 -0.016 18467 4657 1 7 . 1 1 52 52 PRO CB C 551 31.589 31.589 31.639 -0.050 18467 4658 1 7 . 1 1 53 53 PRO HA H 552 4.415 4.415 4.331 0.084 18467 4659 1 7 . 1 1 53 53 PRO CA C 552 65.934 65.934 65.148 0.786 18467 4660 1 7 . 1 1 53 53 PRO CB C 552 32.117 32.117 31.919 0.198 18467 4661 1 7 . 1 1 54 54 ARG C C 553 178.861 178.861 178.199 0.662 18467 4662 1 7 . 1 1 54 54 ARG CA C 553 59.040 59.040 59.061 -0.021 18467 4663 1 7 . 1 1 54 54 ARG CB C 553 29.650 29.650 29.766 -0.116 18467 4664 1 7 . 1 1 55 55 GLU N N 554 120.619 120.619 118.169 2.450 18467 4665 1 7 . 1 1 55 55 GLU HA H 554 4.569 4.569 4.330 0.239 18467 4666 1 7 . 1 1 55 55 GLU CA C 554 57.913 57.913 58.148 -0.235 18467 4667 1 7 . 1 1 55 55 GLU CB C 554 29.799 29.799 29.549 0.251 18467 4668 1 7 . 1 1 55 55 GLU H H 554 7.713 7.713 7.836 -0.123 18467 4669 1 7 . 1 1 56 56 TRP N N 555 120.789 120.789 122.331 -1.542 18467 4670 1 7 . 1 1 56 56 TRP HA H 555 4.790 4.790 4.462 0.328 18467 4671 1 7 . 1 1 56 56 TRP C C 555 176.837 176.837 178.569 -1.732 18467 4672 1 7 . 1 1 56 56 TRP CA C 555 59.458 59.458 61.620 -2.162 18467 4673 1 7 . 1 1 56 56 TRP CB C 555 30.606 30.606 29.365 1.241 18467 4674 1 7 . 1 1 56 56 TRP H H 555 8.151 8.151 8.129 0.022 18467 4675 1 7 . 1 1 57 57 SER N N 556 110.579 110.579 113.743 -3.164 18467 4676 1 7 . 1 1 57 57 SER HA H 556 4.169 4.169 4.152 0.017 18467 4677 1 7 . 1 1 57 57 SER C C 556 177.169 177.169 176.691 0.478 18467 4678 1 7 . 1 1 57 57 SER CA C 556 61.964 61.964 61.473 0.491 18467 4679 1 7 . 1 1 57 57 SER H H 556 8.263 8.263 8.652 -0.389 18467 4680 1 7 . 1 1 58 58 ARG N N 557 122.546 122.546 119.446 3.100 18467 4681 1 7 . 1 1 58 58 ARG CA C 557 59.314 59.314 58.448 0.866 18467 4682 1 7 . 1 1 58 58 ARG CB C 557 30.188 30.188 30.241 -0.053 18467 4683 1 7 . 1 1 58 58 ARG H H 557 7.594 7.594 7.611 -0.017 18467 4684 1 7 . 1 1 59 59 LEU N N 558 120.695 120.695 121.753 -1.058 18467 4685 1 7 . 1 1 59 59 LEU HA H 558 3.902 3.902 3.984 -0.082 18467 4686 1 7 . 1 1 59 59 LEU C C 558 178.293 178.293 179.014 -0.721 18467 4687 1 7 . 1 1 59 59 LEU CA C 558 57.989 57.989 57.486 0.503 18467 4688 1 7 . 1 1 59 59 LEU CB C 558 41.974 41.974 41.674 0.300 18467 4689 1 7 . 1 1 59 59 LEU H H 558 8.143 8.143 7.554 0.589 18467 4690 1 7 . 1 1 60 60 LEU N N 559 115.713 115.713 113.539 2.174 18467 4691 1 7 . 1 1 60 60 LEU HA H 559 3.643 3.643 4.018 -0.375 18467 4692 1 7 . 1 1 60 60 LEU C C 559 178.818 178.818 177.703 1.115 18467 4693 1 7 . 1 1 60 60 LEU CA C 559 56.773 56.773 55.494 1.279 18467 4694 1 7 . 1 1 60 60 LEU CB C 559 41.434 41.434 40.706 0.728 18467 4695 1 7 . 1 1 60 60 LEU H H 559 7.725 7.725 7.911 -0.186 18467 4696 1 7 . 1 1 61 61 GLY N N 560 103.312 103.312 106.276 -2.964 18467 4697 1 7 . 1 1 61 61 GLY C C 560 173.364 173.364 173.941 -0.577 18467 4698 1 7 . 1 1 61 61 GLY CA C 560 45.029 45.029 44.593 0.436 18467 4699 1 7 . 1 1 61 61 GLY H H 560 7.311 7.311 7.283 0.028 18467 4700 1 7 . 1 1 62 62 ASP N N 561 122.455 122.455 121.797 0.658 18467 4701 1 7 . 1 1 62 62 ASP HA H 561 4.847 4.847 4.811 0.036 18467 4702 1 7 . 1 1 62 62 ASP C C 561 173.909 173.909 175.844 -1.935 18467 4703 1 7 . 1 1 62 62 ASP CA C 561 52.302 52.302 53.042 -0.740 18467 4704 1 7 . 1 1 62 62 ASP CB C 561 41.362 41.362 43.136 -1.774 18467 4705 1 7 . 1 1 62 62 ASP H H 561 7.532 7.532 8.345 -0.813 18467 4706 1 7 . 1 1 63 63 ALA N N 562 125.643 125.643 129.048 -3.405 18467 4707 1 7 . 1 1 63 63 ALA HA H 562 4.019 4.019 4.074 -0.055 18467 4708 1 7 . 1 1 63 63 ALA C C 562 180.109 180.109 178.794 1.315 18467 4709 1 7 . 1 1 63 63 ALA CA C 562 55.660 55.660 54.888 0.772 18467 4710 1 7 . 1 1 63 63 ALA CB C 562 18.980 18.980 19.364 -0.384 18467 4711 1 7 . 1 1 63 63 ALA H H 562 8.372 8.372 8.792 -0.420 18467 4712 1 7 . 1 1 64 64 LYS N N 563 117.354 117.354 117.974 -0.620 18467 4713 1 7 . 1 1 64 64 LYS HA H 563 4.116 4.116 4.112 0.004 18467 4714 1 7 . 1 1 64 64 LYS C C 563 179.293 179.293 178.326 0.967 18467 4715 1 7 . 1 1 64 64 LYS CA C 563 59.459 59.459 58.903 0.556 18467 4716 1 7 . 1 1 64 64 LYS CB C 563 32.165 32.165 31.802 0.363 18467 4717 1 7 . 1 1 64 64 LYS H H 563 8.111 8.111 7.972 0.139 18467 4718 1 7 . 1 1 65 65 GLU N N 564 120.953 120.953 120.996 -0.043 18467 4719 1 7 . 1 1 65 65 GLU HA H 564 4.207 4.207 4.069 0.138 18467 4720 1 7 . 1 1 65 65 GLU C C 564 179.679 179.679 178.879 0.800 18467 4721 1 7 . 1 1 65 65 GLU CA C 564 58.683 58.683 59.103 -0.420 18467 4722 1 7 . 1 1 65 65 GLU CB C 564 29.403 29.403 29.573 -0.170 18467 4723 1 7 . 1 1 65 65 GLU H H 564 7.725 7.725 8.330 -0.605 18467 4724 1 7 . 1 1 66 66 LEU N N 565 120.534 120.534 120.606 -0.072 18467 4725 1 7 . 1 1 66 66 LEU HA H 565 4.117 4.117 4.020 0.097 18467 4726 1 7 . 1 1 66 66 LEU C C 565 178.692 178.692 178.132 0.560 18467 4727 1 7 . 1 1 66 66 LEU CA C 565 57.883 57.883 57.326 0.557 18467 4728 1 7 . 1 1 66 66 LEU CB C 565 40.916 40.916 41.491 -0.575 18467 4729 1 7 . 1 1 66 66 LEU H H 565 8.668 8.668 7.726 0.942 18467 4730 1 7 . 1 1 67 67 ALA N N 566 119.170 119.170 121.258 -2.088 18467 4731 1 7 . 1 1 67 67 ALA HA H 566 3.904 3.904 3.816 0.088 18467 4732 1 7 . 1 1 67 67 ALA C C 566 179.042 179.042 179.381 -0.339 18467 4733 1 7 . 1 1 67 67 ALA CA C 566 55.916 55.916 55.378 0.538 18467 4734 1 7 . 1 1 67 67 ALA CB C 566 17.972 17.972 17.850 0.122 18467 4735 1 7 . 1 1 67 67 ALA H H 566 8.474 8.474 8.554 -0.080 18467 4736 1 7 . 1 1 68 68 ASN N N 567 115.725 115.725 116.997 -1.272 18467 4737 1 7 . 1 1 68 68 ASN HA H 567 4.479 4.479 4.457 0.022 18467 4738 1 7 . 1 1 68 68 ASN CA C 567 57.014 57.014 56.292 0.722 18467 4739 1 7 . 1 1 68 68 ASN CB C 567 38.597 38.597 38.490 0.107 18467 4740 1 7 . 1 1 68 68 ASN H H 567 7.555 7.555 8.161 -0.606 18467 4741 1 7 . 1 1 69 69 ILE N N 568 118.231 118.231 118.053 0.178 18467 4742 1 7 . 1 1 69 69 ILE HA H 568 4.125 4.125 3.858 0.267 18467 4743 1 7 . 1 1 69 69 ILE C C 568 179.766 179.766 178.335 1.431 18467 4744 1 7 . 1 1 69 69 ILE CA C 568 64.168 64.168 64.509 -0.341 18467 4745 1 7 . 1 1 69 69 ILE CB C 568 38.547 38.547 38.207 0.340 18467 4746 1 7 . 1 1 69 69 ILE H H 568 7.832 7.832 7.380 0.452 18467 4747 1 7 . 1 1 70 70 LEU N N 569 120.962 120.962 120.274 0.688 18467 4748 1 7 . 1 1 70 70 LEU HA H 569 4.114 4.114 3.910 0.204 18467 4749 1 7 . 1 1 70 70 LEU C C 569 179.633 179.633 178.421 1.212 18467 4750 1 7 . 1 1 70 70 LEU CA C 569 58.463 58.463 57.295 1.168 18467 4751 1 7 . 1 1 70 70 LEU CB C 569 42.056 42.056 41.506 0.550 18467 4752 1 7 . 1 1 70 70 LEU H H 569 8.705 8.705 8.079 0.626 18467 4753 1 7 . 1 1 71 71 LYS N N 570 116.318 116.318 117.019 -0.701 18467 4754 1 7 . 1 1 71 71 LYS HA H 570 3.933 3.933 4.119 -0.186 18467 4755 1 7 . 1 1 71 71 LYS C C 570 177.691 177.691 178.986 -1.295 18467 4756 1 7 . 1 1 71 71 LYS CA C 570 60.750 60.750 58.736 2.014 18467 4757 1 7 . 1 1 71 71 LYS CB C 570 32.439 32.439 32.535 -0.096 18467 4758 1 7 . 1 1 71 71 LYS H H 570 8.889 8.889 8.286 0.603 18467 4759 1 7 . 1 1 72 72 TYR N N 571 119.628 119.628 120.157 -0.529 18467 4760 1 7 . 1 1 72 72 TYR HA H 571 4.596 4.596 4.547 0.049 18467 4761 1 7 . 1 1 72 72 TYR C C 571 171.958 171.958 176.625 -4.667 18467 4762 1 7 . 1 1 72 72 TYR CA C 571 59.022 59.022 59.573 -0.551 18467 4763 1 7 . 1 1 72 72 TYR CB C 571 38.970 38.970 38.481 0.489 18467 4764 1 7 . 1 1 72 72 TYR H H 571 7.557 7.557 8.102 -0.545 18467 4765 1 7 . 1 1 73 73 HIS N N 572 108.692 108.692 116.493 -7.801 18467 4766 1 7 . 1 1 73 73 HIS HA H 572 4.206 4.206 4.408 -0.202 18467 4767 1 7 . 1 1 73 73 HIS C C 572 173.668 173.668 174.108 -0.440 18467 4768 1 7 . 1 1 73 73 HIS CA C 572 58.880 58.880 58.881 -0.001 18467 4769 1 7 . 1 1 73 73 HIS CB C 572 28.164 28.164 29.606 -1.442 18467 4770 1 7 . 1 1 73 73 HIS H H 572 7.583 7.583 7.776 -0.193 18467 4771 1 7 . 1 1 74 74 ILE N N 573 117.585 117.585 117.550 0.035 18467 4772 1 7 . 1 1 74 74 ILE HA H 573 5.236 5.236 4.844 0.392 18467 4773 1 7 . 1 1 74 74 ILE C C 573 175.634 175.634 175.369 0.265 18467 4774 1 7 . 1 1 74 74 ILE CA C 573 59.501 59.501 60.163 -0.662 18467 4775 1 7 . 1 1 74 74 ILE CB C 573 40.955 40.955 41.093 -0.138 18467 4776 1 7 . 1 1 74 74 ILE H H 573 7.283 7.283 7.168 0.115 18467 4777 1 7 . 1 1 75 75 GLY N N 574 111.783 111.783 111.231 0.552 18467 4778 1 7 . 1 1 75 75 GLY C C 574 173.914 173.914 174.419 -0.505 18467 4779 1 7 . 1 1 75 75 GLY CA C 574 43.960 43.960 43.512 0.448 18467 4780 1 7 . 1 1 75 75 GLY H H 574 10.218 10.218 8.808 1.410 18467 4781 1 7 . 1 1 76 76 ASP N N 575 120.537 120.537 118.037 2.500 18467 4782 1 7 . 1 1 76 76 ASP HA H 575 4.759 4.759 4.503 0.256 18467 4783 1 7 . 1 1 76 76 ASP C C 575 174.756 174.756 175.471 -0.715 18467 4784 1 7 . 1 1 76 76 ASP CA C 575 53.707 53.707 55.467 -1.760 18467 4785 1 7 . 1 1 76 76 ASP CB C 575 41.029 41.029 41.538 -0.509 18467 4786 1 7 . 1 1 76 76 ASP H H 575 8.361 8.361 8.114 0.247 18467 4787 1 7 . 1 1 77 77 GLU N N 576 114.270 114.270 115.965 -1.695 18467 4788 1 7 . 1 1 77 77 GLU HA H 576 4.472 4.472 4.536 -0.064 18467 4789 1 7 . 1 1 77 77 GLU CA C 576 54.500 54.500 53.688 0.812 18467 4790 1 7 . 1 1 77 77 GLU CB C 576 33.422 33.422 32.336 1.087 18467 4791 1 7 . 1 1 77 77 GLU H H 576 7.266 7.266 7.664 -0.398 18467 4792 1 7 . 1 1 78 78 ILE N N 577 120.961 120.961 120.762 0.199 18467 4793 1 7 . 1 1 78 78 ILE HA H 577 3.570 3.570 4.654 -1.084 18467 4794 1 7 . 1 1 78 78 ILE C C 577 174.815 174.815 175.591 -0.776 18467 4795 1 7 . 1 1 78 78 ILE CA C 577 62.347 62.347 61.057 1.290 18467 4796 1 7 . 1 1 78 78 ILE CB C 577 38.390 38.390 38.313 0.077 18467 4797 1 7 . 1 1 78 78 ILE H H 577 8.514 8.514 8.535 -0.021 18467 4798 1 7 . 1 1 79 79 LEU N N 578 132.660 132.660 131.215 1.445 18467 4799 1 7 . 1 1 79 79 LEU HA H 578 4.779 4.779 4.751 0.028 18467 4800 1 7 . 1 1 79 79 LEU C C 578 174.161 174.161 175.365 -1.204 18467 4801 1 7 . 1 1 79 79 LEU CA C 578 53.881 53.881 53.731 0.150 18467 4802 1 7 . 1 1 79 79 LEU CB C 578 44.088 44.088 43.155 0.933 18467 4803 1 7 . 1 1 79 79 LEU H H 578 7.973 7.973 8.860 -0.887 18467 4804 1 7 . 1 1 80 80 VAL N N 579 118.506 118.506 119.933 -1.427 18467 4805 1 7 . 1 1 80 80 VAL HA H 579 4.767 4.767 4.581 0.186 18467 4806 1 7 . 1 1 80 80 VAL C C 579 178.415 178.415 176.927 1.488 18467 4807 1 7 . 1 1 80 80 VAL CA C 579 59.505 59.505 60.686 -1.181 18467 4808 1 7 . 1 1 80 80 VAL CB C 579 33.491 33.491 33.622 -0.131 18467 4809 1 7 . 1 1 80 80 VAL H H 579 7.968 7.968 7.737 0.231 18467 4810 1 7 . 1 1 81 81 SER N N 580 121.910 121.910 116.387 5.523 18467 4811 1 7 . 1 1 81 81 SER HA H 580 3.828 3.828 4.270 -0.442 18467 4812 1 7 . 1 1 81 81 SER C C 580 177.014 177.014 175.865 1.149 18467 4813 1 7 . 1 1 81 81 SER CA C 580 62.856 62.856 61.892 0.964 18467 4814 1 7 . 1 1 81 81 SER CB C 580 62.118 62.118 63.006 -0.888 18467 4815 1 7 . 1 1 81 81 SER H H 580 11.091 11.091 9.630 1.461 18467 4816 1 7 . 1 1 82 82 GLY N N 581 107.507 107.507 105.842 1.665 18467 4817 1 7 . 1 1 82 82 GLY C C 581 174.753 174.753 175.155 -0.402 18467 4818 1 7 . 1 1 82 82 GLY CA C 581 45.933 45.933 45.752 0.181 18467 4819 1 7 . 1 1 82 82 GLY H H 581 8.283 8.283 8.289 -0.006 18467 4820 1 7 . 1 1 83 83 GLY N N 582 107.844 107.844 108.539 -0.695 18467 4821 1 7 . 1 1 83 83 GLY C C 582 174.383 174.383 174.891 -0.508 18467 4822 1 7 . 1 1 83 83 GLY CA C 582 44.437 44.437 44.389 0.048 18467 4823 1 7 . 1 1 83 83 GLY H H 582 8.244 8.244 7.758 0.486 18467 4824 1 7 . 1 1 84 84 ILE N N 583 120.981 120.981 123.416 -2.435 18467 4825 1 7 . 1 1 84 84 ILE HA H 583 3.820 3.820 3.789 0.031 18467 4826 1 7 . 1 1 84 84 ILE C C 583 175.634 175.634 175.209 0.425 18467 4827 1 7 . 1 1 84 84 ILE CA C 583 62.879 62.879 62.949 -0.070 18467 4828 1 7 . 1 1 84 84 ILE CB C 583 39.028 39.028 36.538 2.490 18467 4829 1 7 . 1 1 84 84 ILE H H 583 7.307 7.307 8.043 -0.736 18467 4830 1 7 . 1 1 85 85 GLY N N 584 112.078 112.078 113.912 -1.834 18467 4831 1 7 . 1 1 85 85 GLY C C 584 173.113 173.113 173.253 -0.140 18467 4832 1 7 . 1 1 85 85 GLY CA C 584 45.639 45.639 45.608 0.031 18467 4833 1 7 . 1 1 85 85 GLY H H 584 7.953 7.953 7.909 0.044 18467 4834 1 7 . 1 1 86 86 ALA N N 585 125.109 125.109 122.606 2.503 18467 4835 1 7 . 1 1 86 86 ALA HA H 585 4.312 4.312 4.520 -0.208 18467 4836 1 7 . 1 1 86 86 ALA C C 585 177.336 177.336 175.811 1.525 18467 4837 1 7 . 1 1 86 86 ALA CA C 585 54.080 54.080 52.171 1.909 18467 4838 1 7 . 1 1 86 86 ALA CB C 585 19.745 19.745 20.357 -0.612 18467 4839 1 7 . 1 1 86 86 ALA H H 585 8.295 8.295 8.180 0.115 18467 4840 1 7 . 1 1 87 87 LEU N N 586 118.488 118.488 119.039 -0.551 18467 4841 1 7 . 1 1 87 87 LEU HA H 586 4.716 4.716 5.320 -0.604 18467 4842 1 7 . 1 1 87 87 LEU C C 586 175.578 175.578 175.128 0.450 18467 4843 1 7 . 1 1 87 87 LEU CA C 586 56.100 56.100 54.388 1.712 18467 4844 1 7 . 1 1 87 87 LEU CB C 586 43.651 43.651 45.348 -1.697 18467 4845 1 7 . 1 1 87 87 LEU H H 586 7.801 7.801 7.850 -0.049 18467 4846 1 7 . 1 1 88 88 VAL N N 587 127.976 127.976 125.841 2.135 18467 4847 1 7 . 1 1 88 88 VAL HA H 587 4.308 4.308 4.471 -0.163 18467 4848 1 7 . 1 1 88 88 VAL C C 587 174.142 174.142 174.428 -0.286 18467 4849 1 7 . 1 1 88 88 VAL CA C 587 61.428 61.428 60.641 0.787 18467 4850 1 7 . 1 1 88 88 VAL CB C 587 35.784 35.784 34.814 0.970 18467 4851 1 7 . 1 1 88 88 VAL H H 587 9.510 9.510 9.289 0.221 18467 4852 1 7 . 1 1 89 89 ARG N N 588 125.359 125.359 126.857 -1.498 18467 4853 1 7 . 1 1 89 89 ARG HA H 588 5.257 5.257 5.139 0.118 18467 4854 1 7 . 1 1 89 89 ARG C C 588 175.003 175.003 175.434 -0.431 18467 4855 1 7 . 1 1 89 89 ARG CA C 588 54.807 54.807 54.932 -0.125 18467 4856 1 7 . 1 1 89 89 ARG H H 588 8.622 8.622 8.634 -0.012 18467 4857 1 7 . 1 1 90 90 LEU N N 589 127.862 127.862 126.679 1.183 18467 4858 1 7 . 1 1 90 90 LEU HA H 589 4.572 4.572 4.678 -0.106 18467 4859 1 7 . 1 1 90 90 LEU C C 589 174.955 174.955 175.629 -0.674 18467 4860 1 7 . 1 1 90 90 LEU CA C 589 53.115 53.115 53.225 -0.110 18467 4861 1 7 . 1 1 90 90 LEU CB C 589 46.021 46.021 45.222 0.799 18467 4862 1 7 . 1 1 90 90 LEU H H 589 8.830 8.830 8.912 -0.082 18467 4863 1 7 . 1 1 91 91 LYS N N 590 129.215 129.215 125.822 3.393 18467 4864 1 7 . 1 1 91 91 LYS HA H 590 4.062 4.062 4.657 -0.595 18467 4865 1 7 . 1 1 91 91 LYS C C 590 174.635 174.635 176.425 -1.790 18467 4866 1 7 . 1 1 91 91 LYS CA C 590 58.307 58.307 56.855 1.452 18467 4867 1 7 . 1 1 91 91 LYS CB C 590 32.514 32.514 33.627 -1.113 18467 4868 1 7 . 1 1 91 91 LYS H H 590 9.429 9.429 8.776 0.653 18467 4869 1 7 . 1 1 92 92 SER N N 591 121.512 121.512 118.085 3.427 18467 4870 1 7 . 1 1 92 92 SER HA H 591 5.581 5.581 5.100 0.481 18467 4871 1 7 . 1 1 92 92 SER C C 591 178.007 178.007 175.492 2.515 18467 4872 1 7 . 1 1 92 92 SER CA C 591 58.234 58.234 56.430 1.804 18467 4873 1 7 . 1 1 92 92 SER CB C 591 67.287 67.287 66.113 1.174 18467 4874 1 7 . 1 1 92 92 SER H H 591 7.995 7.995 8.684 -0.689 18467 4875 1 7 . 1 1 93 93 LEU N N 592 121.124 121.124 119.926 1.198 18467 4876 1 7 . 1 1 93 93 LEU HA H 592 4.300 4.300 4.313 -0.013 18467 4877 1 7 . 1 1 93 93 LEU C C 592 178.518 178.518 178.600 -0.082 18467 4878 1 7 . 1 1 93 93 LEU CA C 592 57.245 57.245 57.205 0.040 18467 4879 1 7 . 1 1 93 93 LEU CB C 592 41.313 41.313 41.368 -0.055 18467 4880 1 7 . 1 1 93 93 LEU H H 592 9.336 9.336 8.224 1.112 18467 4881 1 7 . 1 1 94 94 GLN N N 593 118.739 118.739 117.618 1.121 18467 4882 1 7 . 1 1 94 94 GLN HA H 593 4.249 4.249 4.172 0.077 18467 4883 1 7 . 1 1 94 94 GLN C C 593 176.082 176.082 177.100 -1.018 18467 4884 1 7 . 1 1 94 94 GLN CA C 593 56.540 56.540 57.556 -1.016 18467 4885 1 7 . 1 1 94 94 GLN CB C 593 27.654 27.654 29.869 -2.215 18467 4886 1 7 . 1 1 94 94 GLN H H 593 7.491 7.491 7.867 -0.376 18467 4887 1 7 . 1 1 95 95 GLY N N 594 109.382 109.382 105.596 3.786 18467 4888 1 7 . 1 1 95 95 GLY C C 594 174.393 174.393 174.217 0.176 18467 4889 1 7 . 1 1 95 95 GLY CA C 594 45.457 45.457 44.709 0.748 18467 4890 1 7 . 1 1 95 95 GLY H H 594 7.631 7.631 7.910 -0.279 18467 4891 1 7 . 1 1 96 96 ASP N N 595 121.087 121.087 121.562 -0.475 18467 4892 1 7 . 1 1 96 96 ASP HA H 595 4.863 4.863 4.861 0.002 18467 4893 1 7 . 1 1 96 96 ASP C C 595 177.273 177.273 174.708 2.565 18467 4894 1 7 . 1 1 96 96 ASP CA C 595 54.520 54.520 53.368 1.151 18467 4895 1 7 . 1 1 96 96 ASP CB C 595 41.277 41.277 42.688 -1.411 18467 4896 1 7 . 1 1 96 96 ASP H H 595 8.650 8.650 8.207 0.443 18467 4897 1 7 . 1 1 97 97 LYS N N 596 119.713 119.713 118.198 1.515 18467 4898 1 7 . 1 1 97 97 LYS HA H 596 5.025 5.025 4.866 0.159 18467 4899 1 7 . 1 1 97 97 LYS C C 596 176.566 176.566 175.851 0.715 18467 4900 1 7 . 1 1 97 97 LYS CA C 596 56.274 56.274 55.104 1.170 18467 4901 1 7 . 1 1 97 97 LYS CB C 596 33.771 33.771 34.500 -0.729 18467 4902 1 7 . 1 1 97 97 LYS H H 596 9.028 9.028 8.329 0.699 18467 4903 1 7 . 1 1 98 98 LEU N N 597 125.754 125.754 125.450 0.304 18467 4904 1 7 . 1 1 98 98 LEU HA H 597 4.398 4.398 4.390 0.008 18467 4905 1 7 . 1 1 98 98 LEU C C 597 176.144 176.144 176.281 -0.137 18467 4906 1 7 . 1 1 98 98 LEU CA C 597 53.899 53.899 54.012 -0.113 18467 4907 1 7 . 1 1 98 98 LEU CB C 597 45.148 45.148 42.426 2.722 18467 4908 1 7 . 1 1 98 98 LEU H H 597 9.336 9.336 9.157 0.179 18467 4909 1 7 . 1 1 99 99 GLU N N 598 121.101 121.101 125.871 -4.770 18467 4910 1 7 . 1 1 99 99 GLU HA H 598 4.662 4.662 4.559 0.103 18467 4911 1 7 . 1 1 99 99 GLU C C 598 175.132 175.132 175.470 -0.338 18467 4912 1 7 . 1 1 99 99 GLU CA C 598 55.714 55.714 56.144 -0.430 18467 4913 1 7 . 1 1 99 99 GLU CB C 598 30.542 30.542 29.851 0.691 18467 4914 1 7 . 1 1 99 99 GLU H H 598 8.368 8.368 8.826 -0.458 18467 4915 1 7 . 1 1 100 100 VAL N N 599 130.595 130.595 127.906 2.689 18467 4916 1 7 . 1 1 100 100 VAL HA H 599 5.046 5.046 4.900 0.146 18467 4917 1 7 . 1 1 100 100 VAL C C 599 173.759 173.759 174.842 -1.083 18467 4918 1 7 . 1 1 100 100 VAL CA C 599 61.081 61.081 61.074 0.007 18467 4919 1 7 . 1 1 100 100 VAL CB C 599 32.873 32.873 33.626 -0.753 18467 4920 1 7 . 1 1 100 100 VAL H H 599 9.337 9.337 9.186 0.151 18467 4921 1 7 . 1 1 101 101 SER N N 600 119.887 119.887 120.897 -1.010 18467 4922 1 7 . 1 1 101 101 SER HA H 600 4.943 4.943 5.233 -0.290 18467 4923 1 7 . 1 1 101 101 SER C C 600 171.934 171.934 172.262 -0.328 18467 4924 1 7 . 1 1 101 101 SER CA C 600 56.540 56.540 56.151 0.389 18467 4925 1 7 . 1 1 101 101 SER CB C 600 67.405 67.405 66.108 1.297 18467 4926 1 7 . 1 1 101 101 SER H H 600 9.033 9.033 8.915 0.118 18467 4927 1 7 . 1 1 102 102 LEU N N 601 123.007 123.007 125.026 -2.019 18467 4928 1 7 . 1 1 102 102 LEU HA H 601 5.047 5.047 5.103 -0.056 18467 4929 1 7 . 1 1 102 102 LEU C C 601 175.767 175.767 174.643 1.124 18467 4930 1 7 . 1 1 102 102 LEU CA C 601 54.324 54.324 54.491 -0.167 18467 4931 1 7 . 1 1 102 102 LEU CB C 601 45.374 45.374 45.462 -0.088 18467 4932 1 7 . 1 1 102 102 LEU H H 601 7.930 7.930 8.380 -0.450 18467 4933 1 7 . 1 1 103 103 LYS N N 602 126.480 126.480 126.036 0.444 18467 4934 1 7 . 1 1 103 103 LYS HA H 602 4.457 4.457 4.680 -0.223 18467 4935 1 7 . 1 1 103 103 LYS CA C 602 55.707 55.707 55.823 -0.116 18467 4936 1 7 . 1 1 103 103 LYS CB C 602 35.032 35.032 34.846 0.186 18467 4937 1 7 . 1 1 103 103 LYS H H 602 8.335 8.335 8.780 -0.445 18467 4938 1 7 . 1 1 104 104 ASN HA H 603 4.296 4.296 4.384 -0.088 18467 4939 1 7 . 1 1 104 104 ASN C C 603 174.156 174.156 174.762 -0.606 18467 4940 1 7 . 1 1 104 104 ASN CA C 603 54.724 54.724 54.332 0.392 18467 4941 1 7 . 1 1 104 104 ASN CB C 603 37.168 37.168 36.520 0.648 18467 4942 1 7 . 1 1 105 105 ASN N N 604 108.763 108.763 111.284 -2.521 18467 4943 1 7 . 1 1 105 105 ASN HA H 604 4.167 4.167 4.299 -0.132 18467 4944 1 7 . 1 1 105 105 ASN C C 604 173.754 173.754 173.443 0.311 18467 4945 1 7 . 1 1 105 105 ASN CA C 604 55.146 55.146 55.015 0.131 18467 4946 1 7 . 1 1 105 105 ASN CB C 604 38.249 38.249 38.474 -0.225 18467 4947 1 7 . 1 1 105 105 ASN H H 604 8.682 8.682 8.505 0.177 18467 4948 1 7 . 1 1 106 106 VAL N N 605 121.612 121.612 121.384 0.228 18467 4949 1 7 . 1 1 106 106 VAL HA H 605 4.285 4.285 4.181 0.104 18467 4950 1 7 . 1 1 106 106 VAL C C 605 176.332 176.332 175.546 0.786 18467 4951 1 7 . 1 1 106 106 VAL CA C 605 62.112 62.112 61.822 0.290 18467 4952 1 7 . 1 1 106 106 VAL CB C 605 34.425 34.425 32.141 2.284 18467 4953 1 7 . 1 1 106 106 VAL H H 605 7.906 7.906 7.740 0.166 18467 4954 1 7 . 1 1 107 107 VAL N N 606 133.233 133.233 130.197 3.036 18467 4955 1 7 . 1 1 107 107 VAL HA H 606 4.615 4.615 4.675 -0.060 18467 4956 1 7 . 1 1 107 107 VAL C C 606 174.697 174.697 175.895 -1.198 18467 4957 1 7 . 1 1 107 107 VAL CA C 606 61.712 61.712 61.972 -0.260 18467 4958 1 7 . 1 1 107 107 VAL CB C 606 32.254 32.254 32.084 0.170 18467 4959 1 7 . 1 1 107 107 VAL H H 606 9.422 9.422 8.586 0.836 18467 4960 1 7 . 1 1 108 108 SER N N 607 120.829 120.829 123.773 -2.944 18467 4961 1 7 . 1 1 108 108 SER HA H 607 5.360 5.360 5.100 0.260 18467 4962 1 7 . 1 1 108 108 SER C C 607 171.938 171.938 173.168 -1.230 18467 4963 1 7 . 1 1 108 108 SER CA C 607 57.031 57.031 57.348 -0.317 18467 4964 1 7 . 1 1 108 108 SER CB C 607 66.490 66.490 63.737 2.753 18467 4965 1 7 . 1 1 108 108 SER H H 607 9.113 9.113 9.229 -0.116 18467 4966 1 7 . 1 1 109 109 VAL N N 608 121.130 121.130 125.512 -4.382 18467 4967 1 7 . 1 1 109 109 VAL HA H 608 4.797 4.797 4.603 0.194 18467 4968 1 7 . 1 1 109 109 VAL C C 608 173.930 173.930 175.175 -1.245 18467 4969 1 7 . 1 1 109 109 VAL CA C 608 57.351 57.351 59.362 -2.011 18467 4970 1 7 . 1 1 109 109 VAL CB C 608 33.964 33.964 34.374 -0.410 18467 4971 1 7 . 1 1 109 109 VAL H H 608 9.120 9.120 8.537 0.583 18467 4972 1 7 . 1 1 110 110 ASN N N 609 128.284 128.284 125.934 2.350 18467 4973 1 7 . 1 1 110 110 ASN HA H 609 4.271 4.271 4.307 -0.036 18467 4974 1 7 . 1 1 110 110 ASN C C 609 175.369 175.369 174.649 0.720 18467 4975 1 7 . 1 1 110 110 ASN CA C 609 54.004 54.004 54.499 -0.495 18467 4976 1 7 . 1 1 110 110 ASN CB C 609 35.927 35.927 36.624 -0.697 18467 4977 1 7 . 1 1 110 110 ASN H H 609 9.777 9.777 8.608 1.169 18467 4978 1 7 . 1 1 111 111 LYS N N 610 107.711 107.711 113.874 -6.163 18467 4979 1 7 . 1 1 111 111 LYS HA H 610 3.660 3.660 3.958 -0.298 18467 4980 1 7 . 1 1 111 111 LYS C C 610 175.573 175.573 174.918 0.655 18467 4981 1 7 . 1 1 111 111 LYS CA C 610 58.404 58.404 57.876 0.528 18467 4982 1 7 . 1 1 111 111 LYS CB C 610 30.549 30.549 31.712 -1.163 18467 4983 1 7 . 1 1 111 111 LYS H H 610 8.290 8.290 7.745 0.545 18467 4984 1 7 . 1 1 112 112 GLU N N 611 125.822 125.822 117.103 8.719 18467 4985 1 7 . 1 1 112 112 GLU HA H 611 4.763 4.763 4.791 -0.028 18467 4986 1 7 . 1 1 112 112 GLU CA C 611 52.981 52.981 53.068 -0.087 18467 4987 1 7 . 1 1 112 112 GLU CB C 611 29.509 29.509 31.115 -1.606 18467 4988 1 7 . 1 1 112 112 GLU H H 611 8.595 8.595 8.066 0.529 18467 4989 1 7 . 1 1 113 113 PRO HA H 612 4.682 4.682 4.547 0.135 18467 4990 1 7 . 1 1 113 113 PRO C C 612 177.310 177.310 176.353 0.957 18467 4991 1 7 . 1 1 113 113 PRO CA C 612 62.649 62.649 62.869 -0.220 18467 4992 1 7 . 1 1 113 113 PRO CB C 612 32.139 32.139 31.990 0.149 18467 4993 1 7 . 1 1 114 114 VAL N N 613 124.773 124.773 122.861 1.912 18467 4994 1 7 . 1 1 114 114 VAL HA H 613 4.274 4.274 3.909 0.365 18467 4995 1 7 . 1 1 114 114 VAL C C 613 176.558 176.558 176.194 0.364 18467 4996 1 7 . 1 1 114 114 VAL CA C 613 62.350 62.350 61.637 0.713 18467 4997 1 7 . 1 1 114 114 VAL CB C 613 32.473 32.473 31.911 0.562 18467 4998 1 7 . 1 1 114 114 VAL H H 613 9.214 9.214 8.602 0.612 18467 4999 1 7 . 1 1 115 115 ALA N N 614 132.583 132.583 130.657 1.926 18467 5000 1 7 . 1 1 115 115 ALA HA H 614 4.321 4.321 4.264 0.057 18467 5001 1 7 . 1 1 115 115 ALA C C 614 178.354 178.354 177.461 0.893 18467 5002 1 7 . 1 1 115 115 ALA CA C 614 53.995 53.995 53.858 0.137 18467 5003 1 7 . 1 1 115 115 ALA CB C 614 19.616 19.616 19.985 -0.370 18467 5004 1 7 . 1 1 115 115 ALA H H 614 8.935 8.935 9.045 -0.110 18467 5005 1 7 . 1 1 116 116 GLU N N 615 115.172 115.172 117.764 -2.592 18467 5006 1 7 . 1 1 116 116 GLU HA H 615 4.866 4.866 4.835 0.031 18467 5007 1 7 . 1 1 116 116 GLU CA C 615 53.432 53.432 52.943 0.489 18467 5008 1 7 . 1 1 116 116 GLU CB C 615 31.554 31.554 30.971 0.584 18467 5009 1 7 . 1 1 116 116 GLU H H 615 6.867 6.867 7.749 -0.882 18467 5010 1 7 . 1 1 117 117 PRO HA H 616 5.651 5.651 4.748 0.903 18467 5011 1 7 . 1 1 117 117 PRO C C 616 177.099 177.099 176.887 0.212 18467 5012 1 7 . 1 1 117 117 PRO CA C 616 61.960 61.960 63.014 -1.054 18467 5013 1 7 . 1 1 117 117 PRO CB C 616 33.618 33.618 32.366 1.252 18467 5014 1 7 . 1 1 118 118 ASP N N 617 114.290 114.290 118.215 -3.925 18467 5015 1 7 . 1 1 118 118 ASP HA H 617 3.881 3.881 4.142 -0.261 18467 5016 1 7 . 1 1 118 118 ASP C C 617 174.967 174.967 176.428 -1.461 18467 5017 1 7 . 1 1 118 118 ASP CA C 617 54.921 54.921 55.326 -0.405 18467 5018 1 7 . 1 1 118 118 ASP CB C 617 37.857 37.857 40.448 -2.591 18467 5019 1 7 . 1 1 118 118 ASP H H 617 9.727 9.727 7.800 1.927 18467 5020 1 7 . 1 1 119 119 ILE N N 618 121.048 121.048 120.198 0.850 18467 5021 1 7 . 1 1 119 119 ILE HA H 618 4.037 4.037 4.169 -0.132 18467 5022 1 7 . 1 1 119 119 ILE C C 618 175.869 175.869 175.386 0.483 18467 5023 1 7 . 1 1 119 119 ILE CA C 618 62.807 62.807 60.262 2.545 18467 5024 1 7 . 1 1 119 119 ILE CB C 618 36.618 36.618 37.337 -0.719 18467 5025 1 7 . 1 1 119 119 ILE H H 618 8.750 8.750 8.306 0.444 18467 5026 1 7 . 1 1 120 120 MET N N 619 125.674 125.674 126.344 -0.670 18467 5027 1 7 . 1 1 120 120 MET HA H 619 4.601 4.601 4.439 0.162 18467 5028 1 7 . 1 1 120 120 MET C C 619 174.817 174.817 175.471 -0.654 18467 5029 1 7 . 1 1 120 120 MET CA C 619 54.936 54.936 56.006 -1.070 18467 5030 1 7 . 1 1 120 120 MET CB C 619 31.313 31.313 33.253 -1.940 18467 5031 1 7 . 1 1 120 120 MET H H 619 8.080 8.080 8.181 -0.101 18467 5032 1 7 . 1 1 121 121 ALA N N 620 122.849 122.849 124.335 -1.486 18467 5033 1 7 . 1 1 121 121 ALA HA H 620 4.902 4.902 4.797 0.105 18467 5034 1 7 . 1 1 121 121 ALA C C 620 177.908 177.908 177.883 0.025 18467 5035 1 7 . 1 1 121 121 ALA CA C 620 49.986 49.986 50.205 -0.218 18467 5036 1 7 . 1 1 121 121 ALA CB C 620 23.115 23.115 21.388 1.727 18467 5037 1 7 . 1 1 121 121 ALA H H 620 8.377 8.377 8.425 -0.048 18467 5038 1 7 . 1 1 122 122 THR N N 621 111.104 111.104 113.741 -2.637 18467 5039 1 7 . 1 1 122 122 THR HA H 621 4.051 4.051 4.212 -0.161 18467 5040 1 7 . 1 1 122 122 THR C C 621 176.320 176.320 174.637 1.683 18467 5041 1 7 . 1 1 122 122 THR CA C 621 64.524 64.524 63.967 0.557 18467 5042 1 7 . 1 1 122 122 THR CB C 621 68.391 68.391 68.651 -0.260 18467 5043 1 7 . 1 1 122 122 THR H H 621 9.183 9.183 8.334 0.849 18467 5044 1 7 . 1 1 123 123 ASN N N 622 117.445 117.445 116.700 0.745 18467 5045 1 7 . 1 1 123 123 ASN HA H 622 5.030 5.030 4.970 0.060 18467 5046 1 7 . 1 1 123 123 ASN C C 622 173.263 173.263 174.435 -1.172 18467 5047 1 7 . 1 1 123 123 ASN CA C 622 51.203 51.203 52.010 -0.807 18467 5048 1 7 . 1 1 123 123 ASN CB C 622 37.076 37.076 38.541 -1.465 18467 5049 1 7 . 1 1 123 123 ASN H H 622 7.969 7.969 8.026 -0.057 18467 5050 1 7 . 1 1 124 124 GLY N N 623 102.705 102.705 107.009 -4.304 18467 5051 1 7 . 1 1 124 124 GLY C C 623 169.925 169.925 171.576 -1.651 18467 5052 1 7 . 1 1 124 124 GLY CA C 623 46.709 46.709 45.262 1.447 18467 5053 1 7 . 1 1 124 124 GLY H H 623 6.921 6.921 7.258 -0.337 18467 5054 1 7 . 1 1 125 125 VAL N N 624 119.913 119.913 118.948 0.965 18467 5055 1 7 . 1 1 125 125 VAL HA H 624 4.877 4.877 4.404 0.473 18467 5056 1 7 . 1 1 125 125 VAL C C 624 170.887 170.887 173.070 -2.183 18467 5057 1 7 . 1 1 125 125 VAL CA C 624 58.527 58.527 59.454 -0.927 18467 5058 1 7 . 1 1 125 125 VAL CB C 624 34.967 34.967 35.236 -0.270 18467 5059 1 7 . 1 1 125 125 VAL H H 624 8.485 8.485 8.217 0.268 18467 5060 1 7 . 1 1 126 126 VAL N N 625 127.599 127.599 126.468 1.131 18467 5061 1 7 . 1 1 126 126 VAL HA H 625 4.619 4.619 5.007 -0.388 18467 5062 1 7 . 1 1 126 126 VAL C C 625 172.882 172.882 174.266 -1.384 18467 5063 1 7 . 1 1 126 126 VAL CA C 625 60.534 60.534 60.181 0.353 18467 5064 1 7 . 1 1 126 126 VAL CB C 625 34.184 34.184 34.801 -0.617 18467 5065 1 7 . 1 1 126 126 VAL H H 625 9.106 9.106 8.522 0.584 18467 5066 1 7 . 1 1 127 127 HIS N N 626 124.292 124.292 124.679 -0.387 18467 5067 1 7 . 1 1 127 127 HIS HA H 626 5.494 5.494 5.114 0.380 18467 5068 1 7 . 1 1 127 127 HIS C C 626 175.629 175.629 174.811 0.818 18467 5069 1 7 . 1 1 127 127 HIS CA C 626 53.247 53.247 54.257 -1.010 18467 5070 1 7 . 1 1 127 127 HIS CB C 626 34.369 34.369 32.647 1.722 18467 5071 1 7 . 1 1 127 127 HIS H H 626 8.754 8.754 8.658 0.096 18467 5072 1 7 . 1 1 128 128 VAL N N 627 124.493 124.493 126.593 -2.100 18467 5073 1 7 . 1 1 128 128 VAL HA H 627 4.512 4.512 4.581 -0.069 18467 5074 1 7 . 1 1 128 128 VAL C C 627 176.349 176.349 175.533 0.816 18467 5075 1 7 . 1 1 128 128 VAL CA C 627 64.730 64.730 63.472 1.258 18467 5076 1 7 . 1 1 128 128 VAL CB C 627 32.980 32.980 31.898 1.081 18467 5077 1 7 . 1 1 128 128 VAL H H 627 8.812 8.812 8.696 0.116 18467 5078 1 7 . 1 1 129 129 ILE N N 628 121.077 121.077 122.468 -1.391 18467 5079 1 7 . 1 1 129 129 ILE HA H 628 5.118 5.118 4.777 0.341 18467 5080 1 7 . 1 1 129 129 ILE C C 628 175.190 175.190 176.244 -1.054 18467 5081 1 7 . 1 1 129 129 ILE CA C 628 60.217 60.217 59.233 0.984 18467 5082 1 7 . 1 1 129 129 ILE CB C 628 42.539 42.539 40.959 1.580 18467 5083 1 7 . 1 1 129 129 ILE H H 628 8.629 8.629 9.022 -0.393 18467 5084 1 7 . 1 1 130 130 THR N N 629 108.406 108.406 112.130 -3.724 18467 5085 1 7 . 1 1 130 130 THR HA H 629 4.671 4.671 4.499 0.172 18467 5086 1 7 . 1 1 130 130 THR C C 629 172.980 172.980 174.463 -1.483 18467 5087 1 7 . 1 1 130 130 THR CA C 629 61.381 61.381 61.161 0.220 18467 5088 1 7 . 1 1 130 130 THR CB C 629 68.784 68.784 69.344 -0.560 18467 5089 1 7 . 1 1 130 130 THR H H 629 9.368 9.368 8.814 0.554 18467 5090 1 7 . 1 1 131 131 ASN N N 630 117.533 117.533 119.068 -1.535 18467 5091 1 7 . 1 1 131 131 ASN HA H 630 4.754 4.754 4.993 -0.239 18467 5092 1 7 . 1 1 131 131 ASN C C 630 172.493 172.493 173.828 -1.335 18467 5093 1 7 . 1 1 131 131 ASN CA C 630 52.575 52.575 52.315 0.260 18467 5094 1 7 . 1 1 131 131 ASN CB C 630 43.079 43.079 41.847 1.232 18467 5095 1 7 . 1 1 131 131 ASN H H 630 7.355 7.355 7.596 -0.241 18467 5096 1 7 . 1 1 132 132 VAL N N 631 117.886 117.886 119.767 -1.881 18467 5097 1 7 . 1 1 132 132 VAL HA H 631 3.914 3.914 4.386 -0.472 18467 5098 1 7 . 1 1 132 132 VAL C C 631 176.909 176.909 175.622 1.287 18467 5099 1 7 . 1 1 132 132 VAL CA C 631 62.424 62.424 61.697 0.727 18467 5100 1 7 . 1 1 132 132 VAL CB C 631 32.453 32.453 33.008 -0.555 18467 5101 1 7 . 1 1 132 132 VAL H H 631 8.087 8.087 8.395 -0.308 18467 5102 1 7 . 1 1 133 133 LEU N N 632 130.948 130.948 124.736 6.212 18467 5103 1 7 . 1 1 133 133 LEU HA H 632 4.220 4.220 4.620 -0.400 18467 5104 1 7 . 1 1 133 133 LEU CA C 632 55.468 55.468 53.921 1.547 18467 5105 1 7 . 1 1 133 133 LEU H H 632 10.937 10.937 8.857 2.080 18467 5106 1 7 . 1 1 134 134 GLN N N 633 118.157 118.157 124.559 -6.402 18467 5107 1 7 . 1 1 134 134 GLN HA H 633 4.361 4.361 4.489 -0.128 18467 5108 1 7 . 1 1 134 134 GLN CA C 633 55.043 55.043 55.143 -0.100 18467 5109 1 7 . 1 1 134 134 GLN CB C 633 31.449 31.449 29.978 1.471 18467 5110 1 7 . 1 1 134 134 GLN H H 633 7.992 7.992 8.656 -0.664 18467 5111 1 8 . 1 1 3 3 MET C C 502 175.861 175.861 175.204 0.657 18467 5112 1 8 . 1 1 3 3 MET CA C 502 55.905 55.905 55.294 0.611 18467 5113 1 8 . 1 1 3 3 MET CB C 502 34.158 34.158 32.783 1.375 18467 5114 1 8 . 1 1 4 4 GLY N N 503 111.094 111.094 110.075 1.019 18467 5115 1 8 . 1 1 4 4 GLY C C 503 173.998 173.998 173.620 0.378 18467 5116 1 8 . 1 1 4 4 GLY CA C 503 44.482 44.482 43.868 0.614 18467 5117 1 8 . 1 1 4 4 GLY H H 503 8.376 8.376 8.471 -0.095 18467 5118 1 8 . 1 1 5 5 THR N N 504 111.539 111.539 111.879 -0.340 18467 5119 1 8 . 1 1 5 5 THR HA H 504 4.440 4.440 4.677 -0.237 18467 5120 1 8 . 1 1 5 5 THR C C 504 176.360 176.360 176.552 -0.192 18467 5121 1 8 . 1 1 5 5 THR CA C 504 61.986 61.986 60.299 1.687 18467 5122 1 8 . 1 1 5 5 THR CB C 504 73.034 73.034 71.286 1.748 18467 5123 1 8 . 1 1 5 5 THR H H 504 9.233 9.233 8.159 1.074 18467 5124 1 8 . 1 1 6 6 VAL N N 505 118.212 118.212 120.587 -2.375 18467 5125 1 8 . 1 1 6 6 VAL HA H 505 3.250 3.250 3.637 -0.387 18467 5126 1 8 . 1 1 6 6 VAL C C 505 177.264 177.264 177.968 -0.704 18467 5127 1 8 . 1 1 6 6 VAL CA C 505 67.200 67.200 67.644 -0.444 18467 5128 1 8 . 1 1 6 6 VAL CB C 505 31.657 31.657 31.311 0.346 18467 5129 1 8 . 1 1 6 6 VAL H H 505 9.918 9.918 9.150 0.768 18467 5130 1 8 . 1 1 7 7 MET N N 506 114.107 114.107 118.654 -4.547 18467 5131 1 8 . 1 1 7 7 MET HA H 506 4.361 4.361 4.075 0.286 18467 5132 1 8 . 1 1 7 7 MET C C 506 178.097 178.097 177.661 0.436 18467 5133 1 8 . 1 1 7 7 MET CA C 506 56.075 56.075 58.140 -2.065 18467 5134 1 8 . 1 1 7 7 MET CB C 506 30.910 30.910 31.836 -0.926 18467 5135 1 8 . 1 1 7 7 MET H H 506 6.975 6.975 7.701 -0.726 18467 5136 1 8 . 1 1 8 8 ASP N N 507 120.374 120.374 119.469 0.905 18467 5137 1 8 . 1 1 8 8 ASP HA H 507 4.255 4.255 4.381 -0.126 18467 5138 1 8 . 1 1 8 8 ASP C C 507 179.824 179.824 178.480 1.344 18467 5139 1 8 . 1 1 8 8 ASP CA C 507 58.088 58.088 57.685 0.403 18467 5140 1 8 . 1 1 8 8 ASP CB C 507 40.526 40.526 40.676 -0.150 18467 5141 1 8 . 1 1 8 8 ASP H H 507 7.430 7.430 7.713 -0.283 18467 5142 1 8 . 1 1 9 9 VAL N N 508 121.326 121.326 119.843 1.483 18467 5143 1 8 . 1 1 9 9 VAL HA H 508 3.567 3.567 3.711 -0.144 18467 5144 1 8 . 1 1 9 9 VAL C C 508 179.115 179.115 177.717 1.398 18467 5145 1 8 . 1 1 9 9 VAL CA C 508 66.131 66.131 66.997 -0.866 18467 5146 1 8 . 1 1 9 9 VAL CB C 508 31.666 31.666 31.767 -0.101 18467 5147 1 8 . 1 1 9 9 VAL H H 508 8.174 8.174 8.238 -0.064 18467 5148 1 8 . 1 1 10 10 LEU N N 509 117.258 117.258 117.868 -0.610 18467 5149 1 8 . 1 1 10 10 LEU HA H 509 4.039 4.039 4.418 -0.379 18467 5150 1 8 . 1 1 10 10 LEU C C 509 179.091 179.091 179.742 -0.651 18467 5151 1 8 . 1 1 10 10 LEU CA C 509 57.372 57.372 57.457 -0.085 18467 5152 1 8 . 1 1 10 10 LEU CB C 509 41.839 41.839 41.522 0.317 18467 5153 1 8 . 1 1 10 10 LEU H H 509 7.896 7.896 8.062 -0.166 18467 5154 1 8 . 1 1 11 11 LYS N N 510 114.824 114.824 120.554 -5.730 18467 5155 1 8 . 1 1 11 11 LYS HA H 510 3.959 3.959 4.158 -0.199 18467 5156 1 8 . 1 1 11 11 LYS C C 510 178.021 178.021 178.327 -0.306 18467 5157 1 8 . 1 1 11 11 LYS CA C 510 59.047 59.047 58.991 0.056 18467 5158 1 8 . 1 1 11 11 LYS CB C 510 32.771 32.771 32.425 0.346 18467 5159 1 8 . 1 1 11 11 LYS H H 510 8.377 8.377 8.325 0.052 18467 5160 1 8 . 1 1 12 12 GLY N N 511 104.574 104.574 106.798 -2.224 18467 5161 1 8 . 1 1 12 12 GLY C C 511 172.564 172.564 173.866 -1.302 18467 5162 1 8 . 1 1 12 12 GLY CA C 511 45.442 45.442 44.832 0.610 18467 5163 1 8 . 1 1 12 12 GLY H H 511 7.590 7.590 7.926 -0.336 18467 5164 1 8 . 1 1 13 13 ASP N N 512 120.194 120.194 120.531 -0.337 18467 5165 1 8 . 1 1 13 13 ASP HA H 512 4.992 4.992 4.726 0.266 18467 5166 1 8 . 1 1 13 13 ASP CA C 512 52.469 52.469 53.041 -0.572 18467 5167 1 8 . 1 1 13 13 ASP CB C 512 43.985 43.985 42.873 1.112 18467 5168 1 8 . 1 1 13 13 ASP H H 512 7.074 7.074 7.402 -0.328 18467 5169 1 8 . 1 1 14 14 ASN HA H 513 4.447 4.447 4.483 -0.036 18467 5170 1 8 . 1 1 14 14 ASN C C 513 176.709 176.709 176.513 0.196 18467 5171 1 8 . 1 1 14 14 ASN CA C 513 55.819 55.819 55.494 0.325 18467 5172 1 8 . 1 1 14 14 ASN CB C 513 38.100 38.100 38.872 -0.772 18467 5173 1 8 . 1 1 15 15 ARG N N 514 118.980 118.980 116.398 2.582 18467 5174 1 8 . 1 1 15 15 ARG HA H 514 4.139 4.139 4.246 -0.107 18467 5175 1 8 . 1 1 15 15 ARG C C 514 176.109 176.109 176.089 0.020 18467 5176 1 8 . 1 1 15 15 ARG CA C 514 58.061 58.061 57.918 0.143 18467 5177 1 8 . 1 1 15 15 ARG CB C 514 30.691 30.691 29.552 1.139 18467 5178 1 8 . 1 1 15 15 ARG H H 514 8.573 8.573 8.508 0.065 18467 5179 1 8 . 1 1 16 16 PHE N N 515 113.150 113.150 116.988 -3.838 18467 5180 1 8 . 1 1 16 16 PHE HA H 515 5.793 5.793 5.115 0.678 18467 5181 1 8 . 1 1 16 16 PHE C C 515 176.420 176.420 176.269 0.151 18467 5182 1 8 . 1 1 16 16 PHE CA C 515 55.966 55.966 54.913 1.053 18467 5183 1 8 . 1 1 16 16 PHE CB C 515 38.644 38.644 39.673 -1.029 18467 5184 1 8 . 1 1 16 16 PHE H H 515 7.592 7.592 7.323 0.269 18467 5185 1 8 . 1 1 17 17 SER N N 516 116.649 116.649 118.657 -2.008 18467 5186 1 8 . 1 1 17 17 SER HA H 516 4.062 4.062 4.219 -0.157 18467 5187 1 8 . 1 1 17 17 SER C C 516 178.631 178.631 176.171 2.460 18467 5188 1 8 . 1 1 17 17 SER CA C 516 62.695 62.695 62.382 0.313 18467 5189 1 8 . 1 1 17 17 SER CB C 516 62.147 62.147 63.264 -1.117 18467 5190 1 8 . 1 1 17 17 SER H H 516 7.527 7.527 7.734 -0.207 18467 5191 1 8 . 1 1 18 18 MET N N 517 124.591 124.591 120.759 3.832 18467 5192 1 8 . 1 1 18 18 MET HA H 517 4.122 4.122 4.440 -0.318 18467 5193 1 8 . 1 1 18 18 MET C C 517 177.503 177.503 177.878 -0.375 18467 5194 1 8 . 1 1 18 18 MET CA C 517 59.707 59.707 56.996 2.711 18467 5195 1 8 . 1 1 18 18 MET CB C 517 32.304 32.304 31.752 0.552 18467 5196 1 8 . 1 1 18 18 MET H H 517 9.271 9.271 8.002 1.269 18467 5197 1 8 . 1 1 19 19 LEU N N 518 123.039 123.039 120.809 2.230 18467 5198 1 8 . 1 1 19 19 LEU HA H 518 3.893 3.893 4.119 -0.226 18467 5199 1 8 . 1 1 19 19 LEU C C 518 178.414 178.414 178.094 0.320 18467 5200 1 8 . 1 1 19 19 LEU CA C 518 58.118 58.118 57.958 0.160 18467 5201 1 8 . 1 1 19 19 LEU CB C 518 41.221 41.221 41.817 -0.596 18467 5202 1 8 . 1 1 19 19 LEU H H 518 8.587 8.587 8.017 0.570 18467 5203 1 8 . 1 1 20 20 VAL N N 519 118.518 118.518 118.590 -0.072 18467 5204 1 8 . 1 1 20 20 VAL HA H 519 3.322 3.322 3.525 -0.203 18467 5205 1 8 . 1 1 20 20 VAL C C 519 178.032 178.032 178.055 -0.023 18467 5206 1 8 . 1 1 20 20 VAL CA C 519 67.874 67.874 66.772 1.102 18467 5207 1 8 . 1 1 20 20 VAL CB C 519 31.600 31.600 31.169 0.431 18467 5208 1 8 . 1 1 20 20 VAL H H 519 9.070 9.070 8.160 0.910 18467 5209 1 8 . 1 1 21 21 ALA N N 520 122.534 122.534 120.852 1.682 18467 5210 1 8 . 1 1 21 21 ALA HA H 520 4.165 4.165 3.995 0.170 18467 5211 1 8 . 1 1 21 21 ALA C C 520 180.604 180.604 179.145 1.459 18467 5212 1 8 . 1 1 21 21 ALA CA C 520 55.125 55.125 55.038 0.087 18467 5213 1 8 . 1 1 21 21 ALA CB C 520 17.702 17.702 17.931 -0.229 18467 5214 1 8 . 1 1 21 21 ALA H H 520 7.594 7.594 7.586 0.008 18467 5215 1 8 . 1 1 22 22 ALA N N 521 123.185 123.185 122.190 0.995 18467 5216 1 8 . 1 1 22 22 ALA HA H 521 3.945 3.945 4.012 -0.067 18467 5217 1 8 . 1 1 22 22 ALA C C 521 178.468 178.468 179.578 -1.110 18467 5218 1 8 . 1 1 22 22 ALA CA C 521 54.905 54.905 54.863 0.042 18467 5219 1 8 . 1 1 22 22 ALA CB C 521 17.956 17.956 18.267 -0.311 18467 5220 1 8 . 1 1 22 22 ALA H H 521 8.549 8.549 7.646 0.903 18467 5221 1 8 . 1 1 23 23 ILE N N 522 120.269 120.269 119.007 1.262 18467 5222 1 8 . 1 1 23 23 ILE HA H 522 3.275 3.275 3.461 -0.186 18467 5223 1 8 . 1 1 23 23 ILE C C 522 178.024 178.024 177.705 0.319 18467 5224 1 8 . 1 1 23 23 ILE CA C 522 66.015 66.015 65.357 0.658 18467 5225 1 8 . 1 1 23 23 ILE CB C 522 38.407 38.407 37.554 0.853 18467 5226 1 8 . 1 1 23 23 ILE H H 522 8.963 8.963 8.234 0.729 18467 5227 1 8 . 1 1 24 24 GLN N N 523 118.677 118.677 120.745 -2.068 18467 5228 1 8 . 1 1 24 24 GLN HA H 523 4.169 4.169 4.062 0.107 18467 5229 1 8 . 1 1 24 24 GLN C C 523 180.200 180.200 179.130 1.070 18467 5230 1 8 . 1 1 24 24 GLN CA C 523 58.567 58.567 58.452 0.115 18467 5231 1 8 . 1 1 24 24 GLN CB C 523 27.611 27.611 28.271 -0.660 18467 5232 1 8 . 1 1 24 24 GLN H H 523 7.976 7.976 8.455 -0.479 18467 5233 1 8 . 1 1 25 25 SER N N 524 117.810 117.810 116.795 1.015 18467 5234 1 8 . 1 1 25 25 SER C C 524 175.679 175.679 176.168 -0.489 18467 5235 1 8 . 1 1 25 25 SER CA C 524 62.046 62.046 61.529 0.517 18467 5236 1 8 . 1 1 25 25 SER CB C 524 63.015 63.015 62.871 0.144 18467 5237 1 8 . 1 1 25 25 SER H H 524 8.311 8.311 8.281 0.030 18467 5238 1 8 . 1 1 26 26 ALA N N 525 119.017 119.017 119.818 -0.801 18467 5239 1 8 . 1 1 26 26 ALA HA H 525 4.307 4.307 4.468 -0.161 18467 5240 1 8 . 1 1 26 26 ALA C C 525 176.838 176.838 178.151 -1.313 18467 5241 1 8 . 1 1 26 26 ALA CA C 525 52.205 52.205 52.143 0.062 18467 5242 1 8 . 1 1 26 26 ALA CB C 525 19.912 19.912 18.768 1.143 18467 5243 1 8 . 1 1 26 26 ALA H H 525 8.322 8.322 7.507 0.815 18467 5244 1 8 . 1 1 27 27 GLY N N 526 105.650 105.650 106.926 -1.276 18467 5245 1 8 . 1 1 27 27 GLY C C 526 176.606 176.606 175.457 1.149 18467 5246 1 8 . 1 1 27 27 GLY CA C 526 46.361 46.361 45.735 0.626 18467 5247 1 8 . 1 1 27 27 GLY H H 526 7.749 7.749 7.822 -0.073 18467 5248 1 8 . 1 1 28 28 LEU N N 527 118.441 118.441 119.414 -0.973 18467 5249 1 8 . 1 1 28 28 LEU HA H 527 4.452 4.452 4.309 0.143 18467 5250 1 8 . 1 1 28 28 LEU C C 527 175.786 175.786 177.754 -1.968 18467 5251 1 8 . 1 1 28 28 LEU CA C 527 54.774 54.774 54.361 0.413 18467 5252 1 8 . 1 1 28 28 LEU CB C 527 45.162 45.162 40.457 4.705 18467 5253 1 8 . 1 1 28 28 LEU H H 527 8.100 8.100 7.881 0.219 18467 5254 1 8 . 1 1 29 29 THR N N 528 117.975 117.975 116.972 1.003 18467 5255 1 8 . 1 1 29 29 THR HA H 528 3.539 3.539 3.858 -0.319 18467 5256 1 8 . 1 1 29 29 THR C C 528 175.468 175.468 175.893 -0.425 18467 5257 1 8 . 1 1 29 29 THR CA C 528 66.819 66.819 67.509 -0.690 18467 5258 1 8 . 1 1 29 29 THR CB C 528 68.696 68.696 68.457 0.240 18467 5259 1 8 . 1 1 29 29 THR H H 528 7.584 7.584 8.285 -0.701 18467 5260 1 8 . 1 1 30 30 GLU N N 529 117.727 117.727 118.277 -0.550 18467 5261 1 8 . 1 1 30 30 GLU HA H 529 3.986 3.986 4.103 -0.117 18467 5262 1 8 . 1 1 30 30 GLU C C 529 179.348 179.348 177.829 1.519 18467 5263 1 8 . 1 1 30 30 GLU CA C 529 59.738 59.738 58.831 0.907 18467 5264 1 8 . 1 1 30 30 GLU CB C 529 28.596 28.596 28.895 -0.298 18467 5265 1 8 . 1 1 30 30 GLU H H 529 8.304 8.304 8.348 -0.044 18467 5266 1 8 . 1 1 31 31 THR N N 530 116.063 116.063 115.267 0.796 18467 5267 1 8 . 1 1 31 31 THR HA H 530 3.758 3.758 4.199 -0.441 18467 5268 1 8 . 1 1 31 31 THR C C 530 175.858 175.858 176.334 -0.476 18467 5269 1 8 . 1 1 31 31 THR CA C 530 67.207 67.207 65.539 1.668 18467 5270 1 8 . 1 1 31 31 THR CB C 530 69.145 69.145 69.169 -0.024 18467 5271 1 8 . 1 1 31 31 THR H H 530 7.698 7.698 7.240 0.458 18467 5272 1 8 . 1 1 32 32 LEU N N 531 116.755 116.755 121.318 -4.563 18467 5273 1 8 . 1 1 32 32 LEU HA H 531 3.921 3.921 3.938 -0.017 18467 5274 1 8 . 1 1 32 32 LEU C C 531 176.163 176.163 177.720 -1.557 18467 5275 1 8 . 1 1 32 32 LEU CA C 531 55.681 55.681 56.693 -1.012 18467 5276 1 8 . 1 1 32 32 LEU CB C 531 41.417 41.417 41.718 -0.301 18467 5277 1 8 . 1 1 32 32 LEU H H 531 7.108 7.108 8.054 -0.946 18467 5278 1 8 . 1 1 33 33 ASN N N 532 118.731 118.731 115.506 3.225 18467 5279 1 8 . 1 1 33 33 ASN HA H 532 4.973 4.973 4.757 0.216 18467 5280 1 8 . 1 1 33 33 ASN C C 532 174.820 174.820 174.973 -0.153 18467 5281 1 8 . 1 1 33 33 ASN CA C 532 52.139 52.139 52.879 -0.740 18467 5282 1 8 . 1 1 33 33 ASN CB C 532 40.952 40.952 38.369 2.583 18467 5283 1 8 . 1 1 33 33 ASN H H 532 7.751 7.751 8.026 -0.275 18467 5284 1 8 . 1 1 34 34 ARG N N 533 119.562 119.562 119.506 0.056 18467 5285 1 8 . 1 1 34 34 ARG HA H 533 4.531 4.531 4.556 -0.025 18467 5286 1 8 . 1 1 34 34 ARG C C 533 175.355 175.355 174.882 0.473 18467 5287 1 8 . 1 1 34 34 ARG CA C 533 55.591 55.591 54.021 1.570 18467 5288 1 8 . 1 1 34 34 ARG CB C 533 32.007 32.007 32.262 -0.255 18467 5289 1 8 . 1 1 34 34 ARG H H 533 7.296 7.296 7.308 -0.012 18467 5290 1 8 . 1 1 35 35 GLU N N 534 120.049 120.049 120.311 -0.262 18467 5291 1 8 . 1 1 35 35 GLU HA H 534 4.238 4.238 4.432 -0.194 18467 5292 1 8 . 1 1 35 35 GLU C C 534 176.281 176.281 175.802 0.479 18467 5293 1 8 . 1 1 35 35 GLU CA C 534 57.698 57.698 55.869 1.829 18467 5294 1 8 . 1 1 35 35 GLU CB C 534 29.807 29.807 30.352 -0.545 18467 5295 1 8 . 1 1 35 35 GLU H H 534 8.508 8.508 8.382 0.126 18467 5296 1 8 . 1 1 36 36 GLY N N 535 110.987 110.987 108.331 2.656 18467 5297 1 8 . 1 1 36 36 GLY C C 535 170.566 170.566 172.131 -1.565 18467 5298 1 8 . 1 1 36 36 GLY CA C 535 44.853 44.853 44.377 0.476 18467 5299 1 8 . 1 1 36 36 GLY H H 535 7.949 7.949 8.314 -0.365 18467 5300 1 8 . 1 1 37 37 VAL N N 536 114.744 114.744 117.769 -3.025 18467 5301 1 8 . 1 1 37 37 VAL HA H 536 4.126 4.126 4.535 -0.409 18467 5302 1 8 . 1 1 37 37 VAL C C 536 173.026 173.026 173.783 -0.757 18467 5303 1 8 . 1 1 37 37 VAL CA C 536 59.318 59.318 60.652 -1.334 18467 5304 1 8 . 1 1 37 37 VAL CB C 536 33.633 33.633 33.927 -0.294 18467 5305 1 8 . 1 1 37 37 VAL H H 536 7.189 7.189 7.696 -0.507 18467 5306 1 8 . 1 1 38 38 TYR N N 537 117.326 117.326 123.485 -6.159 18467 5307 1 8 . 1 1 38 38 TYR HA H 537 5.187 5.187 5.147 0.040 18467 5308 1 8 . 1 1 38 38 TYR C C 537 176.236 176.236 175.093 1.143 18467 5309 1 8 . 1 1 38 38 TYR CA C 537 56.755 56.755 56.237 0.518 18467 5310 1 8 . 1 1 38 38 TYR CB C 537 42.471 42.471 42.202 0.269 18467 5311 1 8 . 1 1 38 38 TYR H H 537 7.491 7.491 8.050 -0.559 18467 5312 1 8 . 1 1 39 39 THR N N 538 117.089 117.089 121.120 -4.031 18467 5313 1 8 . 1 1 39 39 THR HA H 538 4.789 4.789 4.815 -0.026 18467 5314 1 8 . 1 1 39 39 THR C C 538 173.433 173.433 174.010 -0.577 18467 5315 1 8 . 1 1 39 39 THR CA C 538 62.170 62.170 62.448 -0.278 18467 5316 1 8 . 1 1 39 39 THR CB C 538 70.774 70.774 68.984 1.790 18467 5317 1 8 . 1 1 39 39 THR H H 538 7.902 7.902 8.672 -0.770 18467 5318 1 8 . 1 1 40 40 VAL N N 539 126.906 126.906 128.074 -1.168 18467 5319 1 8 . 1 1 40 40 VAL HA H 539 4.523 4.523 4.788 -0.265 18467 5320 1 8 . 1 1 40 40 VAL C C 539 173.960 173.960 174.615 -0.655 18467 5321 1 8 . 1 1 40 40 VAL CA C 539 61.184 61.184 61.244 -0.060 18467 5322 1 8 . 1 1 40 40 VAL CB C 539 33.968 33.968 32.919 1.049 18467 5323 1 8 . 1 1 40 40 VAL H H 539 9.183 9.183 9.192 -0.009 18467 5324 1 8 . 1 1 41 41 PHE N N 540 128.634 128.634 128.179 0.455 18467 5325 1 8 . 1 1 41 41 PHE HA H 540 5.332 5.332 4.827 0.505 18467 5326 1 8 . 1 1 41 41 PHE C C 540 173.378 173.378 175.138 -1.760 18467 5327 1 8 . 1 1 41 41 PHE CA C 540 57.718 57.718 57.537 0.181 18467 5328 1 8 . 1 1 41 41 PHE CB C 540 38.255 38.255 39.361 -1.106 18467 5329 1 8 . 1 1 41 41 PHE H H 540 9.084 9.084 9.122 -0.038 18467 5330 1 8 . 1 1 42 42 ALA N N 541 125.989 125.989 129.824 -3.835 18467 5331 1 8 . 1 1 42 42 ALA HA H 541 4.499 4.499 4.759 -0.260 18467 5332 1 8 . 1 1 42 42 ALA CA C 541 49.035 49.035 48.775 0.260 18467 5333 1 8 . 1 1 42 42 ALA CB C 541 22.804 22.804 19.258 3.546 18467 5334 1 8 . 1 1 42 42 ALA H H 541 8.572 8.572 8.831 -0.259 18467 5335 1 8 . 1 1 43 43 PRO HA H 542 5.030 5.030 5.283 -0.253 18467 5336 1 8 . 1 1 43 43 PRO C C 542 177.796 177.796 177.338 0.458 18467 5337 1 8 . 1 1 43 43 PRO CA C 542 60.823 60.823 61.971 -1.148 18467 5338 1 8 . 1 1 43 43 PRO CB C 542 31.462 31.462 32.497 -1.035 18467 5339 1 8 . 1 1 44 44 THR N N 543 111.786 111.786 114.101 -2.315 18467 5340 1 8 . 1 1 44 44 THR HA H 543 4.423 4.423 4.690 -0.267 18467 5341 1 8 . 1 1 44 44 THR C C 543 176.323 176.323 175.958 0.365 18467 5342 1 8 . 1 1 44 44 THR CA C 543 60.816 60.816 60.177 0.639 18467 5343 1 8 . 1 1 44 44 THR CB C 543 71.498 71.498 70.149 1.349 18467 5344 1 8 . 1 1 44 44 THR H H 543 7.739 7.739 8.361 -0.622 18467 5345 1 8 . 1 1 45 45 ASN N N 544 118.432 118.432 117.443 0.989 18467 5346 1 8 . 1 1 45 45 ASN HA H 544 4.621 4.621 4.428 0.193 18467 5347 1 8 . 1 1 45 45 ASN C C 544 177.738 177.738 176.772 0.966 18467 5348 1 8 . 1 1 45 45 ASN CA C 544 56.092 56.092 55.511 0.581 18467 5349 1 8 . 1 1 45 45 ASN CB C 544 37.329 37.329 38.694 -1.365 18467 5350 1 8 . 1 1 45 45 ASN H H 544 8.679 8.679 8.358 0.321 18467 5351 1 8 . 1 1 46 46 GLU N N 545 117.774 117.774 118.868 -1.094 18467 5352 1 8 . 1 1 46 46 GLU HA H 545 3.800 3.800 4.096 -0.296 18467 5353 1 8 . 1 1 46 46 GLU C C 545 178.277 178.277 176.280 1.997 18467 5354 1 8 . 1 1 46 46 GLU CA C 545 60.129 60.129 57.860 2.269 18467 5355 1 8 . 1 1 46 46 GLU CB C 545 29.254 29.254 29.420 -0.166 18467 5356 1 8 . 1 1 46 46 GLU H H 545 8.213 8.213 7.644 0.569 18467 5357 1 8 . 1 1 47 47 ALA N N 546 121.430 121.430 121.196 0.234 18467 5358 1 8 . 1 1 47 47 ALA HA H 546 3.965 3.965 4.231 -0.266 18467 5359 1 8 . 1 1 47 47 ALA C C 546 180.270 180.270 179.559 0.711 18467 5360 1 8 . 1 1 47 47 ALA CA C 546 54.894 54.894 54.276 0.618 18467 5361 1 8 . 1 1 47 47 ALA CB C 546 19.469 19.469 18.974 0.495 18467 5362 1 8 . 1 1 47 47 ALA H H 546 7.344 7.344 7.076 0.268 18467 5363 1 8 . 1 1 48 48 PHE N N 547 115.617 115.617 117.062 -1.445 18467 5364 1 8 . 1 1 48 48 PHE HA H 547 3.923 3.923 3.884 0.039 18467 5365 1 8 . 1 1 48 48 PHE C C 547 178.849 178.849 175.843 3.006 18467 5366 1 8 . 1 1 48 48 PHE CA C 547 61.460 61.460 58.784 2.676 18467 5367 1 8 . 1 1 48 48 PHE CB C 547 38.400 38.400 37.656 0.744 18467 5368 1 8 . 1 1 48 48 PHE H H 547 7.128 7.128 6.934 0.194 18467 5369 1 8 . 1 1 49 49 ARG N N 548 118.721 118.721 117.308 1.413 18467 5370 1 8 . 1 1 49 49 ARG C C 548 175.961 175.961 176.229 -0.268 18467 5371 1 8 . 1 1 49 49 ARG CA C 548 58.359 58.359 56.808 1.551 18467 5372 1 8 . 1 1 49 49 ARG CB C 548 30.082 30.082 30.183 -0.101 18467 5373 1 8 . 1 1 49 49 ARG H H 548 8.233 8.233 8.128 0.105 18467 5374 1 8 . 1 1 50 50 ALA N N 549 118.911 118.911 121.963 -3.052 18467 5375 1 8 . 1 1 50 50 ALA HA H 549 4.309 4.309 4.369 -0.060 18467 5376 1 8 . 1 1 50 50 ALA C C 549 178.758 178.758 177.800 0.958 18467 5377 1 8 . 1 1 50 50 ALA CA C 549 52.405 52.405 52.740 -0.335 18467 5378 1 8 . 1 1 50 50 ALA CB C 549 18.856 18.856 19.949 -1.093 18467 5379 1 8 . 1 1 50 50 ALA H H 549 7.166 7.166 7.538 -0.372 18467 5380 1 8 . 1 1 51 51 LEU N N 550 119.543 119.543 121.717 -2.174 18467 5381 1 8 . 1 1 51 51 LEU HA H 550 4.541 4.541 4.622 -0.081 18467 5382 1 8 . 1 1 51 51 LEU CA C 550 53.504 53.504 53.116 0.388 18467 5383 1 8 . 1 1 51 51 LEU CB C 550 41.195 41.195 42.239 -1.044 18467 5384 1 8 . 1 1 51 51 LEU H H 550 7.130 7.130 7.415 -0.285 18467 5385 1 8 . 1 1 52 52 PRO HA H 551 4.780 4.780 4.712 0.068 18467 5386 1 8 . 1 1 52 52 PRO CA C 551 61.356 61.356 61.589 -0.233 18467 5387 1 8 . 1 1 52 52 PRO CB C 551 31.589 31.589 31.775 -0.186 18467 5388 1 8 . 1 1 53 53 PRO HA H 552 4.415 4.415 4.191 0.224 18467 5389 1 8 . 1 1 53 53 PRO CA C 552 65.934 65.934 66.060 -0.126 18467 5390 1 8 . 1 1 53 53 PRO CB C 552 32.117 32.117 31.970 0.147 18467 5391 1 8 . 1 1 54 54 ARG C C 553 178.861 178.861 178.301 0.560 18467 5392 1 8 . 1 1 54 54 ARG CA C 553 59.040 59.040 59.938 -0.898 18467 5393 1 8 . 1 1 54 54 ARG CB C 553 29.650 29.650 29.939 -0.289 18467 5394 1 8 . 1 1 55 55 GLU N N 554 120.619 120.619 118.994 1.625 18467 5395 1 8 . 1 1 55 55 GLU HA H 554 4.569 4.569 4.090 0.479 18467 5396 1 8 . 1 1 55 55 GLU CA C 554 57.913 57.913 59.025 -1.112 18467 5397 1 8 . 1 1 55 55 GLU CB C 554 29.799 29.799 29.501 0.298 18467 5398 1 8 . 1 1 55 55 GLU H H 554 7.713 7.713 7.745 -0.032 18467 5399 1 8 . 1 1 56 56 TRP N N 555 120.789 120.789 121.162 -0.373 18467 5400 1 8 . 1 1 56 56 TRP HA H 555 4.790 4.790 4.473 0.317 18467 5401 1 8 . 1 1 56 56 TRP C C 555 176.837 176.837 178.650 -1.813 18467 5402 1 8 . 1 1 56 56 TRP CA C 555 59.458 59.458 61.442 -1.984 18467 5403 1 8 . 1 1 56 56 TRP CB C 555 30.606 30.606 30.087 0.520 18467 5404 1 8 . 1 1 56 56 TRP H H 555 8.151 8.151 8.522 -0.371 18467 5405 1 8 . 1 1 57 57 SER N N 556 110.579 110.579 114.539 -3.960 18467 5406 1 8 . 1 1 57 57 SER HA H 556 4.169 4.169 4.154 0.015 18467 5407 1 8 . 1 1 57 57 SER C C 556 177.169 177.169 175.901 1.268 18467 5408 1 8 . 1 1 57 57 SER CA C 556 61.964 61.964 61.754 0.210 18467 5409 1 8 . 1 1 57 57 SER H H 556 8.263 8.263 8.658 -0.395 18467 5410 1 8 . 1 1 58 58 ARG N N 557 122.546 122.546 119.277 3.269 18467 5411 1 8 . 1 1 58 58 ARG CA C 557 59.314 59.314 57.079 2.235 18467 5412 1 8 . 1 1 58 58 ARG CB C 557 30.188 30.188 29.678 0.510 18467 5413 1 8 . 1 1 58 58 ARG H H 557 7.594 7.594 7.503 0.091 18467 5414 1 8 . 1 1 59 59 LEU N N 558 120.695 120.695 120.175 0.520 18467 5415 1 8 . 1 1 59 59 LEU HA H 558 3.902 3.902 3.944 -0.042 18467 5416 1 8 . 1 1 59 59 LEU C C 558 178.293 178.293 179.022 -0.729 18467 5417 1 8 . 1 1 59 59 LEU CA C 558 57.989 57.989 57.207 0.782 18467 5418 1 8 . 1 1 59 59 LEU CB C 558 41.974 41.974 41.276 0.698 18467 5419 1 8 . 1 1 59 59 LEU H H 558 8.143 8.143 7.685 0.458 18467 5420 1 8 . 1 1 60 60 LEU N N 559 115.713 115.713 116.404 -0.691 18467 5421 1 8 . 1 1 60 60 LEU HA H 559 3.643 3.643 4.091 -0.448 18467 5422 1 8 . 1 1 60 60 LEU C C 559 178.818 178.818 178.186 0.632 18467 5423 1 8 . 1 1 60 60 LEU CA C 559 56.773 56.773 56.002 0.771 18467 5424 1 8 . 1 1 60 60 LEU CB C 559 41.434 41.434 40.264 1.170 18467 5425 1 8 . 1 1 60 60 LEU H H 559 7.725 7.725 7.694 0.031 18467 5426 1 8 . 1 1 61 61 GLY N N 560 103.312 103.312 107.842 -4.530 18467 5427 1 8 . 1 1 61 61 GLY C C 560 173.364 173.364 174.116 -0.752 18467 5428 1 8 . 1 1 61 61 GLY CA C 560 45.029 45.029 45.256 -0.227 18467 5429 1 8 . 1 1 61 61 GLY H H 560 7.311 7.311 7.491 -0.180 18467 5430 1 8 . 1 1 62 62 ASP N N 561 122.455 122.455 119.888 2.567 18467 5431 1 8 . 1 1 62 62 ASP HA H 561 4.847 4.847 4.800 0.047 18467 5432 1 8 . 1 1 62 62 ASP C C 561 173.909 173.909 175.814 -1.905 18467 5433 1 8 . 1 1 62 62 ASP CA C 561 52.302 52.302 52.609 -0.308 18467 5434 1 8 . 1 1 62 62 ASP CB C 561 41.362 41.362 43.419 -2.057 18467 5435 1 8 . 1 1 62 62 ASP H H 561 7.532 7.532 7.437 0.095 18467 5436 1 8 . 1 1 63 63 ALA N N 562 125.643 125.643 127.813 -2.170 18467 5437 1 8 . 1 1 63 63 ALA HA H 562 4.019 4.019 4.193 -0.174 18467 5438 1 8 . 1 1 63 63 ALA C C 562 180.109 180.109 179.021 1.088 18467 5439 1 8 . 1 1 63 63 ALA CA C 562 55.660 55.660 55.044 0.616 18467 5440 1 8 . 1 1 63 63 ALA CB C 562 18.980 18.980 19.069 -0.089 18467 5441 1 8 . 1 1 63 63 ALA H H 562 8.372 8.372 8.749 -0.377 18467 5442 1 8 . 1 1 64 64 LYS N N 563 117.354 117.354 118.220 -0.866 18467 5443 1 8 . 1 1 64 64 LYS HA H 563 4.116 4.116 4.018 0.098 18467 5444 1 8 . 1 1 64 64 LYS C C 563 179.293 179.293 179.144 0.149 18467 5445 1 8 . 1 1 64 64 LYS CA C 563 59.459 59.459 59.425 0.034 18467 5446 1 8 . 1 1 64 64 LYS CB C 563 32.165 32.165 31.702 0.463 18467 5447 1 8 . 1 1 64 64 LYS H H 563 8.111 8.111 7.821 0.290 18467 5448 1 8 . 1 1 65 65 GLU N N 564 120.953 120.953 119.455 1.498 18467 5449 1 8 . 1 1 65 65 GLU HA H 564 4.207 4.207 4.094 0.113 18467 5450 1 8 . 1 1 65 65 GLU C C 564 179.679 179.679 178.809 0.870 18467 5451 1 8 . 1 1 65 65 GLU CA C 564 58.683 58.683 58.529 0.154 18467 5452 1 8 . 1 1 65 65 GLU CB C 564 29.403 29.403 29.356 0.047 18467 5453 1 8 . 1 1 65 65 GLU H H 564 7.725 7.725 8.030 -0.305 18467 5454 1 8 . 1 1 66 66 LEU N N 565 120.534 120.534 121.275 -0.741 18467 5455 1 8 . 1 1 66 66 LEU HA H 565 4.117 4.117 3.900 0.217 18467 5456 1 8 . 1 1 66 66 LEU C C 565 178.692 178.692 178.208 0.484 18467 5457 1 8 . 1 1 66 66 LEU CA C 565 57.883 57.883 57.518 0.365 18467 5458 1 8 . 1 1 66 66 LEU CB C 565 40.916 40.916 41.277 -0.361 18467 5459 1 8 . 1 1 66 66 LEU H H 565 8.668 8.668 8.034 0.634 18467 5460 1 8 . 1 1 67 67 ALA N N 566 119.170 119.170 121.087 -1.917 18467 5461 1 8 . 1 1 67 67 ALA HA H 566 3.904 3.904 3.773 0.131 18467 5462 1 8 . 1 1 67 67 ALA C C 566 179.042 179.042 179.443 -0.401 18467 5463 1 8 . 1 1 67 67 ALA CA C 566 55.916 55.916 55.385 0.531 18467 5464 1 8 . 1 1 67 67 ALA CB C 566 17.972 17.972 17.788 0.184 18467 5465 1 8 . 1 1 67 67 ALA H H 566 8.474 8.474 8.571 -0.097 18467 5466 1 8 . 1 1 68 68 ASN N N 567 115.725 115.725 117.317 -1.592 18467 5467 1 8 . 1 1 68 68 ASN HA H 567 4.479 4.479 4.452 0.027 18467 5468 1 8 . 1 1 68 68 ASN CA C 567 57.014 57.014 55.926 1.087 18467 5469 1 8 . 1 1 68 68 ASN CB C 567 38.597 38.597 38.247 0.350 18467 5470 1 8 . 1 1 68 68 ASN H H 567 7.555 7.555 7.711 -0.156 18467 5471 1 8 . 1 1 69 69 ILE N N 568 118.231 118.231 118.745 -0.514 18467 5472 1 8 . 1 1 69 69 ILE HA H 568 4.125 4.125 3.920 0.205 18467 5473 1 8 . 1 1 69 69 ILE C C 568 179.766 179.766 178.592 1.174 18467 5474 1 8 . 1 1 69 69 ILE CA C 568 64.168 64.168 63.611 0.557 18467 5475 1 8 . 1 1 69 69 ILE CB C 568 38.547 38.547 37.278 1.269 18467 5476 1 8 . 1 1 69 69 ILE H H 568 7.832 7.832 7.499 0.333 18467 5477 1 8 . 1 1 70 70 LEU N N 569 120.962 120.962 121.951 -0.989 18467 5478 1 8 . 1 1 70 70 LEU HA H 569 4.114 4.114 3.877 0.237 18467 5479 1 8 . 1 1 70 70 LEU C C 569 179.633 179.633 179.211 0.422 18467 5480 1 8 . 1 1 70 70 LEU CA C 569 58.463 58.463 57.522 0.941 18467 5481 1 8 . 1 1 70 70 LEU CB C 569 42.056 42.056 41.465 0.591 18467 5482 1 8 . 1 1 70 70 LEU H H 569 8.705 8.705 8.311 0.394 18467 5483 1 8 . 1 1 71 71 LYS N N 570 116.318 116.318 119.367 -3.049 18467 5484 1 8 . 1 1 71 71 LYS HA H 570 3.933 3.933 4.042 -0.109 18467 5485 1 8 . 1 1 71 71 LYS C C 570 177.691 177.691 177.826 -0.135 18467 5486 1 8 . 1 1 71 71 LYS CA C 570 60.750 60.750 59.146 1.604 18467 5487 1 8 . 1 1 71 71 LYS CB C 570 32.439 32.439 32.347 0.092 18467 5488 1 8 . 1 1 71 71 LYS H H 570 8.889 8.889 8.310 0.579 18467 5489 1 8 . 1 1 72 72 TYR N N 571 119.628 119.628 118.104 1.524 18467 5490 1 8 . 1 1 72 72 TYR HA H 571 4.596 4.596 4.573 0.023 18467 5491 1 8 . 1 1 72 72 TYR C C 571 171.958 171.958 174.986 -3.028 18467 5492 1 8 . 1 1 72 72 TYR CA C 571 59.022 59.022 57.797 1.225 18467 5493 1 8 . 1 1 72 72 TYR CB C 571 38.970 38.970 38.027 0.943 18467 5494 1 8 . 1 1 72 72 TYR H H 571 7.557 7.557 8.100 -0.543 18467 5495 1 8 . 1 1 73 73 HIS N N 572 108.692 108.692 115.181 -6.489 18467 5496 1 8 . 1 1 73 73 HIS HA H 572 4.206 4.206 4.617 -0.411 18467 5497 1 8 . 1 1 73 73 HIS C C 572 173.668 173.668 174.308 -0.640 18467 5498 1 8 . 1 1 73 73 HIS CA C 572 58.880 58.880 56.718 2.163 18467 5499 1 8 . 1 1 73 73 HIS CB C 572 28.164 28.164 31.290 -3.126 18467 5500 1 8 . 1 1 73 73 HIS H H 572 7.583 7.583 7.763 -0.180 18467 5501 1 8 . 1 1 74 74 ILE N N 573 117.585 117.585 120.379 -2.794 18467 5502 1 8 . 1 1 74 74 ILE HA H 573 5.236 5.236 4.607 0.629 18467 5503 1 8 . 1 1 74 74 ILE C C 573 175.634 175.634 175.036 0.598 18467 5504 1 8 . 1 1 74 74 ILE CA C 573 59.501 59.501 60.334 -0.833 18467 5505 1 8 . 1 1 74 74 ILE CB C 573 40.955 40.955 39.387 1.568 18467 5506 1 8 . 1 1 74 74 ILE H H 573 7.283 7.283 7.284 -0.001 18467 5507 1 8 . 1 1 75 75 GLY N N 574 111.783 111.783 113.442 -1.659 18467 5508 1 8 . 1 1 75 75 GLY C C 574 173.914 173.914 174.677 -0.763 18467 5509 1 8 . 1 1 75 75 GLY CA C 574 43.960 43.960 44.069 -0.109 18467 5510 1 8 . 1 1 75 75 GLY H H 574 10.218 10.218 9.124 1.094 18467 5511 1 8 . 1 1 76 76 ASP N N 575 120.537 120.537 121.500 -0.963 18467 5512 1 8 . 1 1 76 76 ASP HA H 575 4.759 4.759 4.502 0.257 18467 5513 1 8 . 1 1 76 76 ASP C C 575 174.756 174.756 175.430 -0.674 18467 5514 1 8 . 1 1 76 76 ASP CA C 575 53.707 53.707 56.285 -2.578 18467 5515 1 8 . 1 1 76 76 ASP CB C 575 41.029 41.029 41.897 -0.868 18467 5516 1 8 . 1 1 76 76 ASP H H 575 8.361 8.361 8.787 -0.426 18467 5517 1 8 . 1 1 77 77 GLU N N 576 114.270 114.270 114.182 0.088 18467 5518 1 8 . 1 1 77 77 GLU HA H 576 4.472 4.472 4.491 -0.019 18467 5519 1 8 . 1 1 77 77 GLU CA C 576 54.500 54.500 53.902 0.598 18467 5520 1 8 . 1 1 77 77 GLU CB C 576 33.422 33.422 32.594 0.828 18467 5521 1 8 . 1 1 77 77 GLU H H 576 7.266 7.266 7.823 -0.557 18467 5522 1 8 . 1 1 78 78 ILE N N 577 120.961 120.961 120.966 -0.005 18467 5523 1 8 . 1 1 78 78 ILE HA H 577 3.570 3.570 4.743 -1.173 18467 5524 1 8 . 1 1 78 78 ILE C C 577 174.815 174.815 175.550 -0.735 18467 5525 1 8 . 1 1 78 78 ILE CA C 577 62.347 62.347 59.933 2.414 18467 5526 1 8 . 1 1 78 78 ILE CB C 577 38.390 38.390 36.913 1.478 18467 5527 1 8 . 1 1 78 78 ILE H H 577 8.514 8.514 8.584 -0.070 18467 5528 1 8 . 1 1 79 79 LEU N N 578 132.660 132.660 132.232 0.428 18467 5529 1 8 . 1 1 79 79 LEU HA H 578 4.779 4.779 4.655 0.124 18467 5530 1 8 . 1 1 79 79 LEU C C 578 174.161 174.161 175.431 -1.270 18467 5531 1 8 . 1 1 79 79 LEU CA C 578 53.881 53.881 53.649 0.232 18467 5532 1 8 . 1 1 79 79 LEU CB C 578 44.088 44.088 42.377 1.711 18467 5533 1 8 . 1 1 79 79 LEU H H 578 7.973 7.973 8.984 -1.011 18467 5534 1 8 . 1 1 80 80 VAL N N 579 118.506 118.506 120.076 -1.570 18467 5535 1 8 . 1 1 80 80 VAL HA H 579 4.767 4.767 4.448 0.319 18467 5536 1 8 . 1 1 80 80 VAL C C 579 178.415 178.415 177.129 1.286 18467 5537 1 8 . 1 1 80 80 VAL CA C 579 59.505 59.505 60.945 -1.440 18467 5538 1 8 . 1 1 80 80 VAL CB C 579 33.491 33.491 33.183 0.308 18467 5539 1 8 . 1 1 80 80 VAL H H 579 7.968 7.968 7.846 0.122 18467 5540 1 8 . 1 1 81 81 SER N N 580 121.910 121.910 119.349 2.561 18467 5541 1 8 . 1 1 81 81 SER HA H 580 3.828 3.828 4.191 -0.363 18467 5542 1 8 . 1 1 81 81 SER C C 580 177.014 177.014 176.378 0.636 18467 5543 1 8 . 1 1 81 81 SER CA C 580 62.856 62.856 62.054 0.802 18467 5544 1 8 . 1 1 81 81 SER CB C 580 62.118 62.118 62.865 -0.747 18467 5545 1 8 . 1 1 81 81 SER H H 580 11.091 11.091 9.184 1.907 18467 5546 1 8 . 1 1 82 82 GLY N N 581 107.507 107.507 107.259 0.248 18467 5547 1 8 . 1 1 82 82 GLY C C 581 174.753 174.753 175.268 -0.515 18467 5548 1 8 . 1 1 82 82 GLY CA C 581 45.933 45.933 45.544 0.389 18467 5549 1 8 . 1 1 82 82 GLY H H 581 8.283 8.283 8.665 -0.382 18467 5550 1 8 . 1 1 83 83 GLY N N 582 107.844 107.844 108.151 -0.307 18467 5551 1 8 . 1 1 83 83 GLY C C 582 174.383 174.383 174.599 -0.216 18467 5552 1 8 . 1 1 83 83 GLY CA C 582 44.437 44.437 44.248 0.189 18467 5553 1 8 . 1 1 83 83 GLY H H 582 8.244 8.244 7.916 0.328 18467 5554 1 8 . 1 1 84 84 ILE N N 583 120.981 120.981 123.122 -2.141 18467 5555 1 8 . 1 1 84 84 ILE HA H 583 3.820 3.820 3.910 -0.090 18467 5556 1 8 . 1 1 84 84 ILE C C 583 175.634 175.634 174.941 0.693 18467 5557 1 8 . 1 1 84 84 ILE CA C 583 62.879 62.879 62.250 0.629 18467 5558 1 8 . 1 1 84 84 ILE CB C 583 39.028 39.028 37.688 1.340 18467 5559 1 8 . 1 1 84 84 ILE H H 583 7.307 7.307 7.060 0.247 18467 5560 1 8 . 1 1 85 85 GLY N N 584 112.078 112.078 111.786 0.292 18467 5561 1 8 . 1 1 85 85 GLY C C 584 173.113 173.113 173.202 -0.089 18467 5562 1 8 . 1 1 85 85 GLY CA C 584 45.639 45.639 45.233 0.405 18467 5563 1 8 . 1 1 85 85 GLY H H 584 7.953 7.953 7.909 0.044 18467 5564 1 8 . 1 1 86 86 ALA N N 585 125.109 125.109 128.046 -2.937 18467 5565 1 8 . 1 1 86 86 ALA HA H 585 4.312 4.312 3.982 0.330 18467 5566 1 8 . 1 1 86 86 ALA C C 585 177.336 177.336 175.758 1.578 18467 5567 1 8 . 1 1 86 86 ALA CA C 585 54.080 54.080 54.022 0.058 18467 5568 1 8 . 1 1 86 86 ALA CB C 585 19.745 19.745 18.137 1.608 18467 5569 1 8 . 1 1 86 86 ALA H H 585 8.295 8.295 8.443 -0.148 18467 5570 1 8 . 1 1 87 87 LEU N N 586 118.488 118.488 118.988 -0.500 18467 5571 1 8 . 1 1 87 87 LEU HA H 586 4.716 4.716 5.043 -0.327 18467 5572 1 8 . 1 1 87 87 LEU C C 586 175.578 175.578 175.007 0.571 18467 5573 1 8 . 1 1 87 87 LEU CA C 586 56.100 56.100 54.628 1.472 18467 5574 1 8 . 1 1 87 87 LEU CB C 586 43.651 43.651 45.421 -1.770 18467 5575 1 8 . 1 1 87 87 LEU H H 586 7.801 7.801 8.080 -0.279 18467 5576 1 8 . 1 1 88 88 VAL N N 587 127.976 127.976 125.406 2.570 18467 5577 1 8 . 1 1 88 88 VAL HA H 587 4.308 4.308 4.539 -0.231 18467 5578 1 8 . 1 1 88 88 VAL C C 587 174.142 174.142 173.496 0.646 18467 5579 1 8 . 1 1 88 88 VAL CA C 587 61.428 61.428 59.612 1.816 18467 5580 1 8 . 1 1 88 88 VAL CB C 587 35.784 35.784 36.372 -0.588 18467 5581 1 8 . 1 1 88 88 VAL H H 587 9.510 9.510 9.268 0.242 18467 5582 1 8 . 1 1 89 89 ARG N N 588 125.359 125.359 127.945 -2.586 18467 5583 1 8 . 1 1 89 89 ARG HA H 588 5.257 5.257 5.280 -0.023 18467 5584 1 8 . 1 1 89 89 ARG C C 588 175.003 175.003 175.049 -0.046 18467 5585 1 8 . 1 1 89 89 ARG CA C 588 54.807 54.807 54.194 0.613 18467 5586 1 8 . 1 1 89 89 ARG H H 588 8.622 8.622 8.333 0.289 18467 5587 1 8 . 1 1 90 90 LEU N N 589 127.862 127.862 125.838 2.024 18467 5588 1 8 . 1 1 90 90 LEU HA H 589 4.572 4.572 4.694 -0.122 18467 5589 1 8 . 1 1 90 90 LEU C C 589 174.955 174.955 175.717 -0.762 18467 5590 1 8 . 1 1 90 90 LEU CA C 589 53.115 53.115 53.407 -0.292 18467 5591 1 8 . 1 1 90 90 LEU CB C 589 46.021 46.021 45.735 0.286 18467 5592 1 8 . 1 1 90 90 LEU H H 589 8.830 8.830 8.670 0.160 18467 5593 1 8 . 1 1 91 91 LYS N N 590 129.215 129.215 126.722 2.493 18467 5594 1 8 . 1 1 91 91 LYS HA H 590 4.062 4.062 4.615 -0.553 18467 5595 1 8 . 1 1 91 91 LYS C C 590 174.635 174.635 177.129 -2.494 18467 5596 1 8 . 1 1 91 91 LYS CA C 590 58.307 58.307 56.329 1.978 18467 5597 1 8 . 1 1 91 91 LYS CB C 590 32.514 32.514 32.468 0.046 18467 5598 1 8 . 1 1 91 91 LYS H H 590 9.429 9.429 8.890 0.539 18467 5599 1 8 . 1 1 92 92 SER N N 591 121.512 121.512 119.631 1.881 18467 5600 1 8 . 1 1 92 92 SER HA H 591 5.581 5.581 5.197 0.384 18467 5601 1 8 . 1 1 92 92 SER C C 591 178.007 178.007 175.791 2.216 18467 5602 1 8 . 1 1 92 92 SER CA C 591 58.234 58.234 56.773 1.461 18467 5603 1 8 . 1 1 92 92 SER CB C 591 67.287 67.287 65.534 1.753 18467 5604 1 8 . 1 1 92 92 SER H H 591 7.995 7.995 8.801 -0.806 18467 5605 1 8 . 1 1 93 93 LEU N N 592 121.124 121.124 119.634 1.490 18467 5606 1 8 . 1 1 93 93 LEU HA H 592 4.300 4.300 4.271 0.029 18467 5607 1 8 . 1 1 93 93 LEU C C 592 178.518 178.518 178.783 -0.265 18467 5608 1 8 . 1 1 93 93 LEU CA C 592 57.245 57.245 57.087 0.159 18467 5609 1 8 . 1 1 93 93 LEU CB C 592 41.313 41.313 41.944 -0.631 18467 5610 1 8 . 1 1 93 93 LEU H H 592 9.336 9.336 8.433 0.903 18467 5611 1 8 . 1 1 94 94 GLN N N 593 118.739 118.739 118.053 0.686 18467 5612 1 8 . 1 1 94 94 GLN HA H 593 4.249 4.249 4.115 0.134 18467 5613 1 8 . 1 1 94 94 GLN C C 593 176.082 176.082 177.146 -1.064 18467 5614 1 8 . 1 1 94 94 GLN CA C 593 56.540 56.540 57.609 -1.069 18467 5615 1 8 . 1 1 94 94 GLN CB C 593 27.654 27.654 29.629 -1.975 18467 5616 1 8 . 1 1 94 94 GLN H H 593 7.491 7.491 7.765 -0.274 18467 5617 1 8 . 1 1 95 95 GLY N N 594 109.382 109.382 105.807 3.575 18467 5618 1 8 . 1 1 95 95 GLY C C 594 174.393 174.393 173.611 0.782 18467 5619 1 8 . 1 1 95 95 GLY CA C 594 45.457 45.457 44.665 0.792 18467 5620 1 8 . 1 1 95 95 GLY H H 594 7.631 7.631 7.782 -0.151 18467 5621 1 8 . 1 1 96 96 ASP N N 595 121.087 121.087 121.493 -0.406 18467 5622 1 8 . 1 1 96 96 ASP HA H 595 4.863 4.863 4.785 0.078 18467 5623 1 8 . 1 1 96 96 ASP C C 595 177.273 177.273 174.556 2.717 18467 5624 1 8 . 1 1 96 96 ASP CA C 595 54.520 54.520 53.319 1.201 18467 5625 1 8 . 1 1 96 96 ASP CB C 595 41.277 41.277 42.915 -1.638 18467 5626 1 8 . 1 1 96 96 ASP H H 595 8.650 8.650 8.232 0.418 18467 5627 1 8 . 1 1 97 97 LYS N N 596 119.713 119.713 117.748 1.965 18467 5628 1 8 . 1 1 97 97 LYS HA H 596 5.025 5.025 4.811 0.214 18467 5629 1 8 . 1 1 97 97 LYS C C 596 176.566 176.566 175.768 0.798 18467 5630 1 8 . 1 1 97 97 LYS CA C 596 56.274 56.274 54.919 1.355 18467 5631 1 8 . 1 1 97 97 LYS CB C 596 33.771 33.771 34.135 -0.364 18467 5632 1 8 . 1 1 97 97 LYS H H 596 9.028 9.028 8.516 0.512 18467 5633 1 8 . 1 1 98 98 LEU N N 597 125.754 125.754 125.778 -0.024 18467 5634 1 8 . 1 1 98 98 LEU HA H 597 4.398 4.398 4.909 -0.511 18467 5635 1 8 . 1 1 98 98 LEU C C 597 176.144 176.144 176.981 -0.837 18467 5636 1 8 . 1 1 98 98 LEU CA C 597 53.899 53.899 53.801 0.098 18467 5637 1 8 . 1 1 98 98 LEU CB C 597 45.148 45.148 42.127 3.021 18467 5638 1 8 . 1 1 98 98 LEU H H 597 9.336 9.336 9.204 0.132 18467 5639 1 8 . 1 1 99 99 GLU N N 598 121.101 121.101 125.765 -4.664 18467 5640 1 8 . 1 1 99 99 GLU HA H 598 4.662 4.662 4.362 0.300 18467 5641 1 8 . 1 1 99 99 GLU C C 598 175.132 175.132 175.881 -0.749 18467 5642 1 8 . 1 1 99 99 GLU CA C 598 55.714 55.714 55.862 -0.148 18467 5643 1 8 . 1 1 99 99 GLU CB C 598 30.542 30.542 29.126 1.416 18467 5644 1 8 . 1 1 99 99 GLU H H 598 8.368 8.368 8.917 -0.549 18467 5645 1 8 . 1 1 100 100 VAL N N 599 130.595 130.595 128.192 2.403 18467 5646 1 8 . 1 1 100 100 VAL HA H 599 5.046 5.046 4.486 0.560 18467 5647 1 8 . 1 1 100 100 VAL C C 599 173.759 173.759 175.285 -1.526 18467 5648 1 8 . 1 1 100 100 VAL CA C 599 61.081 61.081 61.971 -0.890 18467 5649 1 8 . 1 1 100 100 VAL CB C 599 32.873 32.873 32.237 0.636 18467 5650 1 8 . 1 1 100 100 VAL H H 599 9.337 9.337 8.585 0.752 18467 5651 1 8 . 1 1 101 101 SER N N 600 119.887 119.887 124.224 -4.337 18467 5652 1 8 . 1 1 101 101 SER HA H 600 4.943 4.943 5.008 -0.065 18467 5653 1 8 . 1 1 101 101 SER C C 600 171.934 171.934 172.675 -0.741 18467 5654 1 8 . 1 1 101 101 SER CA C 600 56.540 56.540 56.634 -0.094 18467 5655 1 8 . 1 1 101 101 SER CB C 600 67.405 67.405 65.882 1.522 18467 5656 1 8 . 1 1 101 101 SER H H 600 9.033 9.033 8.839 0.194 18467 5657 1 8 . 1 1 102 102 LEU N N 601 123.007 123.007 124.537 -1.530 18467 5658 1 8 . 1 1 102 102 LEU HA H 601 5.047 5.047 5.185 -0.138 18467 5659 1 8 . 1 1 102 102 LEU C C 601 175.767 175.767 174.725 1.042 18467 5660 1 8 . 1 1 102 102 LEU CA C 601 54.324 54.324 54.567 -0.243 18467 5661 1 8 . 1 1 102 102 LEU CB C 601 45.374 45.374 45.364 0.010 18467 5662 1 8 . 1 1 102 102 LEU H H 601 7.930 7.930 8.180 -0.250 18467 5663 1 8 . 1 1 103 103 LYS N N 602 126.480 126.480 124.801 1.679 18467 5664 1 8 . 1 1 103 103 LYS HA H 602 4.457 4.457 4.584 -0.127 18467 5665 1 8 . 1 1 103 103 LYS CA C 602 55.707 55.707 55.977 -0.271 18467 5666 1 8 . 1 1 103 103 LYS CB C 602 35.032 35.032 34.954 0.078 18467 5667 1 8 . 1 1 103 103 LYS H H 602 8.335 8.335 8.925 -0.590 18467 5668 1 8 . 1 1 104 104 ASN HA H 603 4.296 4.296 4.437 -0.141 18467 5669 1 8 . 1 1 104 104 ASN C C 603 174.156 174.156 174.642 -0.486 18467 5670 1 8 . 1 1 104 104 ASN CA C 603 54.724 54.724 54.044 0.680 18467 5671 1 8 . 1 1 104 104 ASN CB C 603 37.168 37.168 36.699 0.469 18467 5672 1 8 . 1 1 105 105 ASN N N 604 108.763 108.763 112.041 -3.278 18467 5673 1 8 . 1 1 105 105 ASN HA H 604 4.167 4.167 4.321 -0.154 18467 5674 1 8 . 1 1 105 105 ASN C C 604 173.754 173.754 173.721 0.033 18467 5675 1 8 . 1 1 105 105 ASN CA C 604 55.146 55.146 54.310 0.836 18467 5676 1 8 . 1 1 105 105 ASN CB C 604 38.249 38.249 38.378 -0.129 18467 5677 1 8 . 1 1 105 105 ASN H H 604 8.682 8.682 8.394 0.288 18467 5678 1 8 . 1 1 106 106 VAL N N 605 121.612 121.612 120.802 0.810 18467 5679 1 8 . 1 1 106 106 VAL HA H 605 4.285 4.285 4.203 0.082 18467 5680 1 8 . 1 1 106 106 VAL C C 605 176.332 176.332 175.673 0.659 18467 5681 1 8 . 1 1 106 106 VAL CA C 605 62.112 62.112 61.090 1.022 18467 5682 1 8 . 1 1 106 106 VAL CB C 605 34.425 34.425 31.831 2.594 18467 5683 1 8 . 1 1 106 106 VAL H H 605 7.906 7.906 7.715 0.191 18467 5684 1 8 . 1 1 107 107 VAL N N 606 133.233 133.233 130.132 3.101 18467 5685 1 8 . 1 1 107 107 VAL HA H 606 4.615 4.615 4.864 -0.249 18467 5686 1 8 . 1 1 107 107 VAL C C 606 174.697 174.697 176.221 -1.524 18467 5687 1 8 . 1 1 107 107 VAL CA C 606 61.712 61.712 62.596 -0.884 18467 5688 1 8 . 1 1 107 107 VAL CB C 606 32.254 32.254 32.929 -0.675 18467 5689 1 8 . 1 1 107 107 VAL H H 606 9.422 9.422 8.689 0.733 18467 5690 1 8 . 1 1 108 108 SER N N 607 120.829 120.829 120.604 0.225 18467 5691 1 8 . 1 1 108 108 SER HA H 607 5.360 5.360 5.351 0.009 18467 5692 1 8 . 1 1 108 108 SER C C 607 171.938 171.938 172.935 -0.997 18467 5693 1 8 . 1 1 108 108 SER CA C 607 57.031 57.031 57.005 0.026 18467 5694 1 8 . 1 1 108 108 SER CB C 607 66.490 66.490 66.666 -0.176 18467 5695 1 8 . 1 1 108 108 SER H H 607 9.113 9.113 9.047 0.066 18467 5696 1 8 . 1 1 109 109 VAL N N 608 121.130 121.130 120.832 0.298 18467 5697 1 8 . 1 1 109 109 VAL HA H 608 4.797 4.797 4.337 0.460 18467 5698 1 8 . 1 1 109 109 VAL C C 608 173.930 173.930 174.026 -0.096 18467 5699 1 8 . 1 1 109 109 VAL CA C 608 57.351 57.351 60.632 -3.281 18467 5700 1 8 . 1 1 109 109 VAL CB C 608 33.964 33.964 33.578 0.387 18467 5701 1 8 . 1 1 109 109 VAL H H 608 9.120 9.120 9.093 0.027 18467 5702 1 8 . 1 1 110 110 ASN N N 609 128.284 128.284 127.078 1.206 18467 5703 1 8 . 1 1 110 110 ASN HA H 609 4.271 4.271 4.355 -0.084 18467 5704 1 8 . 1 1 110 110 ASN C C 609 175.369 175.369 174.921 0.448 18467 5705 1 8 . 1 1 110 110 ASN CA C 609 54.004 54.004 54.423 -0.419 18467 5706 1 8 . 1 1 110 110 ASN CB C 609 35.927 35.927 36.452 -0.525 18467 5707 1 8 . 1 1 110 110 ASN H H 609 9.777 9.777 8.707 1.070 18467 5708 1 8 . 1 1 111 111 LYS N N 610 107.711 107.711 109.356 -1.645 18467 5709 1 8 . 1 1 111 111 LYS HA H 610 3.660 3.660 3.988 -0.328 18467 5710 1 8 . 1 1 111 111 LYS C C 610 175.573 175.573 175.870 -0.297 18467 5711 1 8 . 1 1 111 111 LYS CA C 610 58.404 58.404 57.936 0.468 18467 5712 1 8 . 1 1 111 111 LYS CB C 610 30.549 30.549 31.010 -0.461 18467 5713 1 8 . 1 1 111 111 LYS H H 610 8.290 8.290 8.235 0.055 18467 5714 1 8 . 1 1 112 112 GLU N N 611 125.822 125.822 120.253 5.569 18467 5715 1 8 . 1 1 112 112 GLU HA H 611 4.763 4.763 4.783 -0.020 18467 5716 1 8 . 1 1 112 112 GLU CA C 611 52.981 52.981 53.486 -0.505 18467 5717 1 8 . 1 1 112 112 GLU CB C 611 29.509 29.509 30.221 -0.712 18467 5718 1 8 . 1 1 112 112 GLU H H 611 8.595 8.595 7.526 1.069 18467 5719 1 8 . 1 1 113 113 PRO HA H 612 4.682 4.682 4.728 -0.046 18467 5720 1 8 . 1 1 113 113 PRO C C 612 177.310 177.310 175.948 1.362 18467 5721 1 8 . 1 1 113 113 PRO CA C 612 62.649 62.649 62.510 0.139 18467 5722 1 8 . 1 1 113 113 PRO CB C 612 32.139 32.139 32.278 -0.139 18467 5723 1 8 . 1 1 114 114 VAL N N 613 124.773 124.773 122.213 2.560 18467 5724 1 8 . 1 1 114 114 VAL HA H 613 4.274 4.274 4.158 0.116 18467 5725 1 8 . 1 1 114 114 VAL C C 613 176.558 176.558 176.153 0.405 18467 5726 1 8 . 1 1 114 114 VAL CA C 613 62.350 62.350 61.483 0.868 18467 5727 1 8 . 1 1 114 114 VAL CB C 613 32.473 32.473 32.297 0.176 18467 5728 1 8 . 1 1 114 114 VAL H H 613 9.214 9.214 8.647 0.567 18467 5729 1 8 . 1 1 115 115 ALA N N 614 132.583 132.583 131.153 1.430 18467 5730 1 8 . 1 1 115 115 ALA HA H 614 4.321 4.321 4.431 -0.110 18467 5731 1 8 . 1 1 115 115 ALA C C 614 178.354 178.354 177.108 1.246 18467 5732 1 8 . 1 1 115 115 ALA CA C 614 53.995 53.995 53.196 0.799 18467 5733 1 8 . 1 1 115 115 ALA CB C 614 19.616 19.616 20.055 -0.439 18467 5734 1 8 . 1 1 115 115 ALA H H 614 8.935 8.935 9.124 -0.189 18467 5735 1 8 . 1 1 116 116 GLU N N 615 115.172 115.172 118.294 -3.122 18467 5736 1 8 . 1 1 116 116 GLU HA H 615 4.866 4.866 4.795 0.071 18467 5737 1 8 . 1 1 116 116 GLU CA C 615 53.432 53.432 52.873 0.559 18467 5738 1 8 . 1 1 116 116 GLU CB C 615 31.554 31.554 31.416 0.138 18467 5739 1 8 . 1 1 116 116 GLU H H 615 6.867 6.867 7.902 -1.035 18467 5740 1 8 . 1 1 117 117 PRO HA H 616 5.651 5.651 4.687 0.964 18467 5741 1 8 . 1 1 117 117 PRO C C 616 177.099 177.099 176.889 0.210 18467 5742 1 8 . 1 1 117 117 PRO CA C 616 61.960 61.960 63.357 -1.397 18467 5743 1 8 . 1 1 117 117 PRO CB C 616 33.618 33.618 32.538 1.080 18467 5744 1 8 . 1 1 118 118 ASP N N 617 114.290 114.290 116.257 -1.967 18467 5745 1 8 . 1 1 118 118 ASP HA H 617 3.881 3.881 4.237 -0.356 18467 5746 1 8 . 1 1 118 118 ASP C C 617 174.967 174.967 175.889 -0.922 18467 5747 1 8 . 1 1 118 118 ASP CA C 617 54.921 54.921 55.382 -0.461 18467 5748 1 8 . 1 1 118 118 ASP CB C 617 37.857 37.857 40.599 -2.742 18467 5749 1 8 . 1 1 118 118 ASP H H 617 9.727 9.727 7.925 1.802 18467 5750 1 8 . 1 1 119 119 ILE N N 618 121.048 121.048 120.486 0.562 18467 5751 1 8 . 1 1 119 119 ILE HA H 618 4.037 4.037 4.160 -0.123 18467 5752 1 8 . 1 1 119 119 ILE C C 618 175.869 175.869 175.149 0.720 18467 5753 1 8 . 1 1 119 119 ILE CA C 618 62.807 62.807 60.398 2.409 18467 5754 1 8 . 1 1 119 119 ILE CB C 618 36.618 36.618 37.092 -0.474 18467 5755 1 8 . 1 1 119 119 ILE H H 618 8.750 8.750 7.640 1.110 18467 5756 1 8 . 1 1 120 120 MET N N 619 125.674 125.674 126.550 -0.876 18467 5757 1 8 . 1 1 120 120 MET HA H 619 4.601 4.601 4.481 0.120 18467 5758 1 8 . 1 1 120 120 MET C C 619 174.817 174.817 175.452 -0.635 18467 5759 1 8 . 1 1 120 120 MET CA C 619 54.936 54.936 55.319 -0.383 18467 5760 1 8 . 1 1 120 120 MET CB C 619 31.313 31.313 33.556 -2.243 18467 5761 1 8 . 1 1 120 120 MET H H 619 8.080 8.080 8.042 0.038 18467 5762 1 8 . 1 1 121 121 ALA N N 620 122.849 122.849 124.773 -1.924 18467 5763 1 8 . 1 1 121 121 ALA HA H 620 4.902 4.902 4.688 0.214 18467 5764 1 8 . 1 1 121 121 ALA C C 620 177.908 177.908 176.704 1.204 18467 5765 1 8 . 1 1 121 121 ALA CA C 620 49.986 49.986 50.477 -0.492 18467 5766 1 8 . 1 1 121 121 ALA CB C 620 23.115 23.115 21.455 1.660 18467 5767 1 8 . 1 1 121 121 ALA H H 620 8.377 8.377 8.729 -0.352 18467 5768 1 8 . 1 1 122 122 THR N N 621 111.104 111.104 112.941 -1.837 18467 5769 1 8 . 1 1 122 122 THR HA H 621 4.051 4.051 4.256 -0.205 18467 5770 1 8 . 1 1 122 122 THR C C 621 176.320 176.320 174.887 1.433 18467 5771 1 8 . 1 1 122 122 THR CA C 621 64.524 64.524 64.350 0.174 18467 5772 1 8 . 1 1 122 122 THR CB C 621 68.391 68.391 68.659 -0.268 18467 5773 1 8 . 1 1 122 122 THR H H 621 9.183 9.183 8.510 0.673 18467 5774 1 8 . 1 1 123 123 ASN N N 622 117.445 117.445 116.188 1.257 18467 5775 1 8 . 1 1 123 123 ASN HA H 622 5.030 5.030 4.830 0.200 18467 5776 1 8 . 1 1 123 123 ASN C C 622 173.263 173.263 174.057 -0.794 18467 5777 1 8 . 1 1 123 123 ASN CA C 622 51.203 51.203 52.805 -1.602 18467 5778 1 8 . 1 1 123 123 ASN CB C 622 37.076 37.076 39.707 -2.631 18467 5779 1 8 . 1 1 123 123 ASN H H 622 7.969 7.969 8.019 -0.050 18467 5780 1 8 . 1 1 124 124 GLY N N 623 102.705 102.705 107.587 -4.882 18467 5781 1 8 . 1 1 124 124 GLY C C 623 169.925 169.925 171.805 -1.880 18467 5782 1 8 . 1 1 124 124 GLY CA C 623 46.709 46.709 45.261 1.448 18467 5783 1 8 . 1 1 124 124 GLY H H 623 6.921 6.921 7.273 -0.352 18467 5784 1 8 . 1 1 125 125 VAL N N 624 119.913 119.913 119.087 0.826 18467 5785 1 8 . 1 1 125 125 VAL HA H 624 4.877 4.877 4.697 0.180 18467 5786 1 8 . 1 1 125 125 VAL C C 624 170.887 170.887 173.108 -2.221 18467 5787 1 8 . 1 1 125 125 VAL CA C 624 58.527 58.527 59.518 -0.991 18467 5788 1 8 . 1 1 125 125 VAL CB C 624 34.967 34.967 35.590 -0.623 18467 5789 1 8 . 1 1 125 125 VAL H H 624 8.485 8.485 8.748 -0.263 18467 5790 1 8 . 1 1 126 126 VAL N N 625 127.599 127.599 126.536 1.063 18467 5791 1 8 . 1 1 126 126 VAL HA H 625 4.619 4.619 5.047 -0.428 18467 5792 1 8 . 1 1 126 126 VAL C C 625 172.882 172.882 174.300 -1.418 18467 5793 1 8 . 1 1 126 126 VAL CA C 625 60.534 60.534 59.838 0.696 18467 5794 1 8 . 1 1 126 126 VAL CB C 625 34.184 34.184 34.757 -0.573 18467 5795 1 8 . 1 1 126 126 VAL H H 625 9.106 9.106 8.915 0.191 18467 5796 1 8 . 1 1 127 127 HIS N N 626 124.292 124.292 123.954 0.338 18467 5797 1 8 . 1 1 127 127 HIS HA H 626 5.494 5.494 5.033 0.461 18467 5798 1 8 . 1 1 127 127 HIS C C 626 175.629 175.629 174.881 0.748 18467 5799 1 8 . 1 1 127 127 HIS CA C 626 53.247 53.247 54.113 -0.866 18467 5800 1 8 . 1 1 127 127 HIS CB C 626 34.369 34.369 32.390 1.979 18467 5801 1 8 . 1 1 127 127 HIS H H 626 8.754 8.754 8.714 0.040 18467 5802 1 8 . 1 1 128 128 VAL N N 627 124.493 124.493 127.147 -2.654 18467 5803 1 8 . 1 1 128 128 VAL HA H 627 4.512 4.512 4.458 0.054 18467 5804 1 8 . 1 1 128 128 VAL C C 627 176.349 176.349 175.561 0.788 18467 5805 1 8 . 1 1 128 128 VAL CA C 627 64.730 64.730 64.182 0.548 18467 5806 1 8 . 1 1 128 128 VAL CB C 627 32.980 32.980 31.715 1.265 18467 5807 1 8 . 1 1 128 128 VAL H H 627 8.812 8.812 9.031 -0.219 18467 5808 1 8 . 1 1 129 129 ILE N N 628 121.077 121.077 122.075 -0.998 18467 5809 1 8 . 1 1 129 129 ILE HA H 628 5.118 5.118 4.872 0.246 18467 5810 1 8 . 1 1 129 129 ILE C C 628 175.190 175.190 176.494 -1.304 18467 5811 1 8 . 1 1 129 129 ILE CA C 628 60.217 60.217 59.379 0.838 18467 5812 1 8 . 1 1 129 129 ILE CB C 628 42.539 42.539 40.992 1.547 18467 5813 1 8 . 1 1 129 129 ILE H H 628 8.629 8.629 9.098 -0.469 18467 5814 1 8 . 1 1 130 130 THR N N 629 108.406 108.406 111.642 -3.236 18467 5815 1 8 . 1 1 130 130 THR HA H 629 4.671 4.671 4.400 0.271 18467 5816 1 8 . 1 1 130 130 THR C C 629 172.980 172.980 174.149 -1.169 18467 5817 1 8 . 1 1 130 130 THR CA C 629 61.381 61.381 62.493 -1.112 18467 5818 1 8 . 1 1 130 130 THR CB C 629 68.784 68.784 69.535 -0.752 18467 5819 1 8 . 1 1 130 130 THR H H 629 9.368 9.368 8.586 0.782 18467 5820 1 8 . 1 1 131 131 ASN N N 630 117.533 117.533 117.117 0.416 18467 5821 1 8 . 1 1 131 131 ASN HA H 630 4.754 4.754 5.041 -0.287 18467 5822 1 8 . 1 1 131 131 ASN C C 630 172.493 172.493 173.774 -1.281 18467 5823 1 8 . 1 1 131 131 ASN CA C 630 52.575 52.575 52.289 0.286 18467 5824 1 8 . 1 1 131 131 ASN CB C 630 43.079 43.079 42.426 0.653 18467 5825 1 8 . 1 1 131 131 ASN H H 630 7.355 7.355 7.673 -0.318 18467 5826 1 8 . 1 1 132 132 VAL N N 631 117.886 117.886 121.555 -3.669 18467 5827 1 8 . 1 1 132 132 VAL HA H 631 3.914 3.914 4.500 -0.586 18467 5828 1 8 . 1 1 132 132 VAL C C 631 176.909 176.909 175.264 1.645 18467 5829 1 8 . 1 1 132 132 VAL CA C 631 62.424 62.424 61.223 1.201 18467 5830 1 8 . 1 1 132 132 VAL CB C 631 32.453 32.453 33.892 -1.439 18467 5831 1 8 . 1 1 132 132 VAL H H 631 8.087 8.087 8.414 -0.327 18467 5832 1 8 . 1 1 133 133 LEU N N 632 130.948 130.948 124.571 6.377 18467 5833 1 8 . 1 1 133 133 LEU HA H 632 4.220 4.220 4.817 -0.597 18467 5834 1 8 . 1 1 133 133 LEU CA C 632 55.468 55.468 53.915 1.553 18467 5835 1 8 . 1 1 133 133 LEU H H 632 10.937 10.937 8.592 2.345 18467 5836 1 8 . 1 1 134 134 GLN N N 633 118.157 118.157 121.589 -3.432 18467 5837 1 8 . 1 1 134 134 GLN HA H 633 4.361 4.361 4.584 -0.223 18467 5838 1 8 . 1 1 134 134 GLN CA C 633 55.043 55.043 55.243 -0.200 18467 5839 1 8 . 1 1 134 134 GLN CB C 633 31.449 31.449 31.378 0.071 18467 5840 1 8 . 1 1 134 134 GLN H H 633 7.992 7.992 8.574 -0.582 18467 5841 1 9 . 1 1 3 3 MET C C 502 175.861 175.861 175.159 0.702 18467 5842 1 9 . 1 1 3 3 MET CA C 502 55.905 55.905 56.121 -0.216 18467 5843 1 9 . 1 1 3 3 MET CB C 502 34.158 34.158 32.215 1.942 18467 5844 1 9 . 1 1 4 4 GLY N N 503 111.094 111.094 102.260 8.834 18467 5845 1 9 . 1 1 4 4 GLY C C 503 173.998 173.998 172.834 1.164 18467 5846 1 9 . 1 1 4 4 GLY CA C 503 44.482 44.482 45.145 -0.663 18467 5847 1 9 . 1 1 4 4 GLY H H 503 8.376 8.376 7.586 0.790 18467 5848 1 9 . 1 1 5 5 THR N N 504 111.539 111.539 112.533 -0.994 18467 5849 1 9 . 1 1 5 5 THR HA H 504 4.440 4.440 4.834 -0.394 18467 5850 1 9 . 1 1 5 5 THR C C 504 176.360 176.360 176.294 0.066 18467 5851 1 9 . 1 1 5 5 THR CA C 504 61.986 61.986 60.119 1.867 18467 5852 1 9 . 1 1 5 5 THR CB C 504 73.034 73.034 71.494 1.540 18467 5853 1 9 . 1 1 5 5 THR H H 504 9.233 9.233 8.689 0.544 18467 5854 1 9 . 1 1 6 6 VAL N N 505 118.212 118.212 120.850 -2.638 18467 5855 1 9 . 1 1 6 6 VAL HA H 505 3.250 3.250 3.618 -0.368 18467 5856 1 9 . 1 1 6 6 VAL C C 505 177.264 177.264 178.026 -0.762 18467 5857 1 9 . 1 1 6 6 VAL CA C 505 67.200 67.200 67.479 -0.279 18467 5858 1 9 . 1 1 6 6 VAL CB C 505 31.657 31.657 31.361 0.296 18467 5859 1 9 . 1 1 6 6 VAL H H 505 9.918 9.918 9.263 0.655 18467 5860 1 9 . 1 1 7 7 MET N N 506 114.107 114.107 117.476 -3.369 18467 5861 1 9 . 1 1 7 7 MET HA H 506 4.361 4.361 4.130 0.231 18467 5862 1 9 . 1 1 7 7 MET C C 506 178.097 178.097 178.395 -0.298 18467 5863 1 9 . 1 1 7 7 MET CA C 506 56.075 56.075 57.716 -1.641 18467 5864 1 9 . 1 1 7 7 MET CB C 506 30.910 30.910 31.301 -0.391 18467 5865 1 9 . 1 1 7 7 MET H H 506 6.975 6.975 7.636 -0.661 18467 5866 1 9 . 1 1 8 8 ASP N N 507 120.374 120.374 120.644 -0.270 18467 5867 1 9 . 1 1 8 8 ASP HA H 507 4.255 4.255 4.420 -0.165 18467 5868 1 9 . 1 1 8 8 ASP C C 507 179.824 179.824 178.875 0.949 18467 5869 1 9 . 1 1 8 8 ASP CA C 507 58.088 58.088 57.738 0.350 18467 5870 1 9 . 1 1 8 8 ASP CB C 507 40.526 40.526 40.942 -0.416 18467 5871 1 9 . 1 1 8 8 ASP H H 507 7.430 7.430 7.613 -0.183 18467 5872 1 9 . 1 1 9 9 VAL N N 508 121.326 121.326 121.194 0.132 18467 5873 1 9 . 1 1 9 9 VAL HA H 508 3.567 3.567 3.546 0.021 18467 5874 1 9 . 1 1 9 9 VAL C C 508 179.115 179.115 178.024 1.091 18467 5875 1 9 . 1 1 9 9 VAL CA C 508 66.131 66.131 66.838 -0.707 18467 5876 1 9 . 1 1 9 9 VAL CB C 508 31.666 31.666 31.788 -0.122 18467 5877 1 9 . 1 1 9 9 VAL H H 508 8.174 8.174 8.403 -0.229 18467 5878 1 9 . 1 1 10 10 LEU N N 509 117.258 117.258 117.989 -0.731 18467 5879 1 9 . 1 1 10 10 LEU HA H 509 4.039 4.039 4.283 -0.244 18467 5880 1 9 . 1 1 10 10 LEU C C 509 179.091 179.091 178.745 0.346 18467 5881 1 9 . 1 1 10 10 LEU CA C 509 57.372 57.372 58.071 -0.699 18467 5882 1 9 . 1 1 10 10 LEU CB C 509 41.839 41.839 40.918 0.921 18467 5883 1 9 . 1 1 10 10 LEU H H 509 7.896 7.896 7.787 0.109 18467 5884 1 9 . 1 1 11 11 LYS N N 510 114.824 114.824 118.406 -3.582 18467 5885 1 9 . 1 1 11 11 LYS HA H 510 3.959 3.959 4.043 -0.084 18467 5886 1 9 . 1 1 11 11 LYS C C 510 178.021 178.021 178.174 -0.153 18467 5887 1 9 . 1 1 11 11 LYS CA C 510 59.047 59.047 59.047 -0.000 18467 5888 1 9 . 1 1 11 11 LYS CB C 510 32.771 32.771 32.285 0.486 18467 5889 1 9 . 1 1 11 11 LYS H H 510 8.377 8.377 7.975 0.402 18467 5890 1 9 . 1 1 12 12 GLY N N 511 104.574 104.574 107.052 -2.478 18467 5891 1 9 . 1 1 12 12 GLY C C 511 172.564 172.564 174.101 -1.537 18467 5892 1 9 . 1 1 12 12 GLY CA C 511 45.442 45.442 44.772 0.670 18467 5893 1 9 . 1 1 12 12 GLY H H 511 7.590 7.590 7.741 -0.151 18467 5894 1 9 . 1 1 13 13 ASP N N 512 120.194 120.194 121.099 -0.905 18467 5895 1 9 . 1 1 13 13 ASP HA H 512 4.992 4.992 4.610 0.382 18467 5896 1 9 . 1 1 13 13 ASP CA C 512 52.469 52.469 53.661 -1.192 18467 5897 1 9 . 1 1 13 13 ASP CB C 512 43.985 43.985 42.981 1.004 18467 5898 1 9 . 1 1 13 13 ASP H H 512 7.074 7.074 8.023 -0.949 18467 5899 1 9 . 1 1 14 14 ASN HA H 513 4.447 4.447 4.462 -0.015 18467 5900 1 9 . 1 1 14 14 ASN C C 513 176.709 176.709 176.670 0.039 18467 5901 1 9 . 1 1 14 14 ASN CA C 513 55.819 55.819 55.025 0.794 18467 5902 1 9 . 1 1 14 14 ASN CB C 513 38.100 38.100 38.790 -0.690 18467 5903 1 9 . 1 1 15 15 ARG N N 514 118.980 118.980 118.828 0.152 18467 5904 1 9 . 1 1 15 15 ARG HA H 514 4.139 4.139 4.326 -0.187 18467 5905 1 9 . 1 1 15 15 ARG C C 514 176.109 176.109 177.499 -1.390 18467 5906 1 9 . 1 1 15 15 ARG CA C 514 58.061 58.061 56.790 1.271 18467 5907 1 9 . 1 1 15 15 ARG CB C 514 30.691 30.691 29.662 1.029 18467 5908 1 9 . 1 1 15 15 ARG H H 514 8.573 8.573 8.410 0.163 18467 5909 1 9 . 1 1 16 16 PHE N N 515 113.150 113.150 116.460 -3.310 18467 5910 1 9 . 1 1 16 16 PHE HA H 515 5.793 5.793 5.063 0.730 18467 5911 1 9 . 1 1 16 16 PHE C C 515 176.420 176.420 176.369 0.051 18467 5912 1 9 . 1 1 16 16 PHE CA C 515 55.966 55.966 55.145 0.821 18467 5913 1 9 . 1 1 16 16 PHE CB C 515 38.644 38.644 37.643 1.001 18467 5914 1 9 . 1 1 16 16 PHE H H 515 7.592 7.592 7.549 0.043 18467 5915 1 9 . 1 1 17 17 SER N N 516 116.649 116.649 117.680 -1.031 18467 5916 1 9 . 1 1 17 17 SER HA H 516 4.062 4.062 4.228 -0.166 18467 5917 1 9 . 1 1 17 17 SER C C 516 178.631 178.631 176.239 2.392 18467 5918 1 9 . 1 1 17 17 SER CA C 516 62.695 62.695 61.622 1.073 18467 5919 1 9 . 1 1 17 17 SER CB C 516 62.147 62.147 63.303 -1.156 18467 5920 1 9 . 1 1 17 17 SER H H 516 7.527 7.527 7.632 -0.105 18467 5921 1 9 . 1 1 18 18 MET N N 517 124.591 124.591 121.533 3.058 18467 5922 1 9 . 1 1 18 18 MET HA H 517 4.122 4.122 4.408 -0.286 18467 5923 1 9 . 1 1 18 18 MET C C 517 177.503 177.503 177.468 0.035 18467 5924 1 9 . 1 1 18 18 MET CA C 517 59.707 59.707 57.581 2.126 18467 5925 1 9 . 1 1 18 18 MET CB C 517 32.304 32.304 32.254 0.050 18467 5926 1 9 . 1 1 18 18 MET H H 517 9.271 9.271 8.218 1.053 18467 5927 1 9 . 1 1 19 19 LEU N N 518 123.039 123.039 120.784 2.255 18467 5928 1 9 . 1 1 19 19 LEU HA H 518 3.893 3.893 4.022 -0.129 18467 5929 1 9 . 1 1 19 19 LEU C C 518 178.414 178.414 177.877 0.537 18467 5930 1 9 . 1 1 19 19 LEU CA C 518 58.118 58.118 58.001 0.117 18467 5931 1 9 . 1 1 19 19 LEU CB C 518 41.221 41.221 41.765 -0.544 18467 5932 1 9 . 1 1 19 19 LEU H H 518 8.587 8.587 7.993 0.594 18467 5933 1 9 . 1 1 20 20 VAL N N 519 118.518 118.518 119.503 -0.985 18467 5934 1 9 . 1 1 20 20 VAL HA H 519 3.322 3.322 3.584 -0.262 18467 5935 1 9 . 1 1 20 20 VAL C C 519 178.032 178.032 177.994 0.038 18467 5936 1 9 . 1 1 20 20 VAL CA C 519 67.874 67.874 67.148 0.726 18467 5937 1 9 . 1 1 20 20 VAL CB C 519 31.600 31.600 30.956 0.645 18467 5938 1 9 . 1 1 20 20 VAL H H 519 9.070 9.070 7.953 1.117 18467 5939 1 9 . 1 1 21 21 ALA N N 520 122.534 122.534 120.884 1.650 18467 5940 1 9 . 1 1 21 21 ALA HA H 520 4.165 4.165 3.865 0.300 18467 5941 1 9 . 1 1 21 21 ALA C C 520 180.604 180.604 178.876 1.728 18467 5942 1 9 . 1 1 21 21 ALA CA C 520 55.125 55.125 54.894 0.231 18467 5943 1 9 . 1 1 21 21 ALA CB C 520 17.702 17.702 18.030 -0.328 18467 5944 1 9 . 1 1 21 21 ALA H H 520 7.594 7.594 7.628 -0.034 18467 5945 1 9 . 1 1 22 22 ALA N N 521 123.185 123.185 122.333 0.852 18467 5946 1 9 . 1 1 22 22 ALA HA H 521 3.945 3.945 4.004 -0.059 18467 5947 1 9 . 1 1 22 22 ALA C C 521 178.468 178.468 179.605 -1.137 18467 5948 1 9 . 1 1 22 22 ALA CA C 521 54.905 54.905 54.946 -0.041 18467 5949 1 9 . 1 1 22 22 ALA CB C 521 17.956 17.956 18.363 -0.407 18467 5950 1 9 . 1 1 22 22 ALA H H 521 8.549 8.549 7.793 0.756 18467 5951 1 9 . 1 1 23 23 ILE N N 522 120.269 120.269 118.547 1.722 18467 5952 1 9 . 1 1 23 23 ILE HA H 522 3.275 3.275 3.475 -0.200 18467 5953 1 9 . 1 1 23 23 ILE C C 522 178.024 178.024 177.739 0.285 18467 5954 1 9 . 1 1 23 23 ILE CA C 522 66.015 66.015 65.271 0.744 18467 5955 1 9 . 1 1 23 23 ILE CB C 522 38.407 38.407 37.402 1.005 18467 5956 1 9 . 1 1 23 23 ILE H H 522 8.963 8.963 8.200 0.763 18467 5957 1 9 . 1 1 24 24 GLN N N 523 118.677 118.677 121.191 -2.514 18467 5958 1 9 . 1 1 24 24 GLN HA H 523 4.169 4.169 4.039 0.130 18467 5959 1 9 . 1 1 24 24 GLN C C 523 180.200 180.200 179.227 0.973 18467 5960 1 9 . 1 1 24 24 GLN CA C 523 58.567 58.567 59.004 -0.437 18467 5961 1 9 . 1 1 24 24 GLN CB C 523 27.611 27.611 28.332 -0.721 18467 5962 1 9 . 1 1 24 24 GLN H H 523 7.976 7.976 8.576 -0.600 18467 5963 1 9 . 1 1 25 25 SER N N 524 117.810 117.810 115.850 1.960 18467 5964 1 9 . 1 1 25 25 SER C C 524 175.679 175.679 175.439 0.240 18467 5965 1 9 . 1 1 25 25 SER CA C 524 62.046 62.046 61.097 0.949 18467 5966 1 9 . 1 1 25 25 SER CB C 524 63.015 63.015 62.939 0.076 18467 5967 1 9 . 1 1 25 25 SER H H 524 8.311 8.311 8.165 0.146 18467 5968 1 9 . 1 1 26 26 ALA N N 525 119.017 119.017 120.075 -1.058 18467 5969 1 9 . 1 1 26 26 ALA HA H 525 4.307 4.307 4.372 -0.065 18467 5970 1 9 . 1 1 26 26 ALA C C 525 176.838 176.838 177.612 -0.774 18467 5971 1 9 . 1 1 26 26 ALA CA C 525 52.205 52.205 51.837 0.368 18467 5972 1 9 . 1 1 26 26 ALA CB C 525 19.912 19.912 18.971 0.941 18467 5973 1 9 . 1 1 26 26 ALA H H 525 8.322 8.322 7.269 1.053 18467 5974 1 9 . 1 1 27 27 GLY N N 526 105.650 105.650 106.577 -0.927 18467 5975 1 9 . 1 1 27 27 GLY C C 526 176.606 176.606 175.098 1.508 18467 5976 1 9 . 1 1 27 27 GLY CA C 526 46.361 46.361 45.614 0.747 18467 5977 1 9 . 1 1 27 27 GLY H H 526 7.749 7.749 7.926 -0.177 18467 5978 1 9 . 1 1 28 28 LEU N N 527 118.441 118.441 117.885 0.556 18467 5979 1 9 . 1 1 28 28 LEU HA H 527 4.452 4.452 4.660 -0.208 18467 5980 1 9 . 1 1 28 28 LEU C C 527 175.786 175.786 177.717 -1.931 18467 5981 1 9 . 1 1 28 28 LEU CA C 527 54.774 54.774 54.027 0.747 18467 5982 1 9 . 1 1 28 28 LEU CB C 527 45.162 45.162 41.654 3.507 18467 5983 1 9 . 1 1 28 28 LEU H H 527 8.100 8.100 7.761 0.339 18467 5984 1 9 . 1 1 29 29 THR N N 528 117.975 117.975 115.929 2.046 18467 5985 1 9 . 1 1 29 29 THR HA H 528 3.539 3.539 3.861 -0.322 18467 5986 1 9 . 1 1 29 29 THR C C 528 175.468 175.468 176.203 -0.735 18467 5987 1 9 . 1 1 29 29 THR CA C 528 66.819 66.819 67.120 -0.300 18467 5988 1 9 . 1 1 29 29 THR CB C 528 68.696 68.696 68.156 0.539 18467 5989 1 9 . 1 1 29 29 THR H H 528 7.584 7.584 8.160 -0.576 18467 5990 1 9 . 1 1 30 30 GLU N N 529 117.727 117.727 119.012 -1.285 18467 5991 1 9 . 1 1 30 30 GLU HA H 529 3.986 3.986 4.147 -0.161 18467 5992 1 9 . 1 1 30 30 GLU C C 529 179.348 179.348 177.352 1.996 18467 5993 1 9 . 1 1 30 30 GLU CA C 529 59.738 59.738 58.718 1.020 18467 5994 1 9 . 1 1 30 30 GLU CB C 529 28.596 28.596 28.787 -0.191 18467 5995 1 9 . 1 1 30 30 GLU H H 529 8.304 8.304 8.481 -0.177 18467 5996 1 9 . 1 1 31 31 THR N N 530 116.063 116.063 113.763 2.300 18467 5997 1 9 . 1 1 31 31 THR HA H 530 3.758 3.758 4.166 -0.408 18467 5998 1 9 . 1 1 31 31 THR C C 530 175.858 175.858 175.627 0.231 18467 5999 1 9 . 1 1 31 31 THR CA C 530 67.207 67.207 65.325 1.883 18467 6000 1 9 . 1 1 31 31 THR CB C 530 69.145 69.145 69.105 0.040 18467 6001 1 9 . 1 1 31 31 THR H H 530 7.698 7.698 7.719 -0.021 18467 6002 1 9 . 1 1 32 32 LEU N N 531 116.755 116.755 119.325 -2.570 18467 6003 1 9 . 1 1 32 32 LEU HA H 531 3.921 3.921 4.265 -0.344 18467 6004 1 9 . 1 1 32 32 LEU C C 531 176.163 176.163 177.557 -1.394 18467 6005 1 9 . 1 1 32 32 LEU CA C 531 55.681 55.681 55.777 -0.096 18467 6006 1 9 . 1 1 32 32 LEU CB C 531 41.417 41.417 42.010 -0.593 18467 6007 1 9 . 1 1 32 32 LEU H H 531 7.108 7.108 7.377 -0.269 18467 6008 1 9 . 1 1 33 33 ASN N N 532 118.731 118.731 116.028 2.703 18467 6009 1 9 . 1 1 33 33 ASN HA H 532 4.973 4.973 4.646 0.327 18467 6010 1 9 . 1 1 33 33 ASN C C 532 174.820 174.820 174.991 -0.171 18467 6011 1 9 . 1 1 33 33 ASN CA C 532 52.139 52.139 53.554 -1.415 18467 6012 1 9 . 1 1 33 33 ASN CB C 532 40.952 40.952 38.908 2.044 18467 6013 1 9 . 1 1 33 33 ASN H H 532 7.751 7.751 7.883 -0.132 18467 6014 1 9 . 1 1 34 34 ARG N N 533 119.562 119.562 120.034 -0.472 18467 6015 1 9 . 1 1 34 34 ARG HA H 533 4.531 4.531 4.622 -0.091 18467 6016 1 9 . 1 1 34 34 ARG C C 533 175.355 175.355 175.163 0.192 18467 6017 1 9 . 1 1 34 34 ARG CA C 533 55.591 55.591 54.141 1.450 18467 6018 1 9 . 1 1 34 34 ARG CB C 533 32.007 32.007 31.849 0.157 18467 6019 1 9 . 1 1 34 34 ARG H H 533 7.296 7.296 7.564 -0.268 18467 6020 1 9 . 1 1 35 35 GLU N N 534 120.049 120.049 119.381 0.668 18467 6021 1 9 . 1 1 35 35 GLU HA H 534 4.238 4.238 4.398 -0.160 18467 6022 1 9 . 1 1 35 35 GLU C C 534 176.281 176.281 176.763 -0.482 18467 6023 1 9 . 1 1 35 35 GLU CA C 534 57.698 57.698 56.286 1.412 18467 6024 1 9 . 1 1 35 35 GLU CB C 534 29.807 29.807 30.532 -0.725 18467 6025 1 9 . 1 1 35 35 GLU H H 534 8.508 8.508 8.624 -0.116 18467 6026 1 9 . 1 1 36 36 GLY N N 535 110.987 110.987 109.713 1.274 18467 6027 1 9 . 1 1 36 36 GLY C C 535 170.566 170.566 172.179 -1.613 18467 6028 1 9 . 1 1 36 36 GLY CA C 535 44.853 44.853 44.963 -0.110 18467 6029 1 9 . 1 1 36 36 GLY H H 535 7.949 7.949 8.608 -0.659 18467 6030 1 9 . 1 1 37 37 VAL N N 536 114.744 114.744 116.873 -2.129 18467 6031 1 9 . 1 1 37 37 VAL HA H 536 4.126 4.126 4.692 -0.566 18467 6032 1 9 . 1 1 37 37 VAL C C 536 173.026 173.026 173.803 -0.777 18467 6033 1 9 . 1 1 37 37 VAL CA C 536 59.318 59.318 60.291 -0.973 18467 6034 1 9 . 1 1 37 37 VAL CB C 536 33.633 33.633 34.055 -0.422 18467 6035 1 9 . 1 1 37 37 VAL H H 536 7.189 7.189 7.884 -0.695 18467 6036 1 9 . 1 1 38 38 TYR N N 537 117.326 117.326 124.182 -6.856 18467 6037 1 9 . 1 1 38 38 TYR HA H 537 5.187 5.187 5.024 0.163 18467 6038 1 9 . 1 1 38 38 TYR C C 537 176.236 176.236 174.953 1.283 18467 6039 1 9 . 1 1 38 38 TYR CA C 537 56.755 56.755 57.087 -0.332 18467 6040 1 9 . 1 1 38 38 TYR CB C 537 42.471 42.471 42.903 -0.432 18467 6041 1 9 . 1 1 38 38 TYR H H 537 7.491 7.491 8.210 -0.719 18467 6042 1 9 . 1 1 39 39 THR N N 538 117.089 117.089 121.242 -4.153 18467 6043 1 9 . 1 1 39 39 THR HA H 538 4.789 4.789 4.846 -0.057 18467 6044 1 9 . 1 1 39 39 THR C C 538 173.433 173.433 173.670 -0.237 18467 6045 1 9 . 1 1 39 39 THR CA C 538 62.170 62.170 62.304 -0.134 18467 6046 1 9 . 1 1 39 39 THR CB C 538 70.774 70.774 69.338 1.437 18467 6047 1 9 . 1 1 39 39 THR H H 538 7.902 7.902 8.547 -0.645 18467 6048 1 9 . 1 1 40 40 VAL N N 539 126.906 126.906 128.328 -1.422 18467 6049 1 9 . 1 1 40 40 VAL HA H 539 4.523 4.523 4.381 0.142 18467 6050 1 9 . 1 1 40 40 VAL C C 539 173.960 173.960 174.524 -0.564 18467 6051 1 9 . 1 1 40 40 VAL CA C 539 61.184 61.184 61.379 -0.195 18467 6052 1 9 . 1 1 40 40 VAL CB C 539 33.968 33.968 32.759 1.209 18467 6053 1 9 . 1 1 40 40 VAL H H 539 9.183 9.183 9.188 -0.005 18467 6054 1 9 . 1 1 41 41 PHE N N 540 128.634 128.634 128.418 0.216 18467 6055 1 9 . 1 1 41 41 PHE HA H 540 5.332 5.332 4.894 0.438 18467 6056 1 9 . 1 1 41 41 PHE C C 540 173.378 173.378 174.984 -1.606 18467 6057 1 9 . 1 1 41 41 PHE CA C 540 57.718 57.718 57.505 0.213 18467 6058 1 9 . 1 1 41 41 PHE CB C 540 38.255 38.255 39.076 -0.821 18467 6059 1 9 . 1 1 41 41 PHE H H 540 9.084 9.084 8.816 0.268 18467 6060 1 9 . 1 1 42 42 ALA N N 541 125.989 125.989 129.329 -3.340 18467 6061 1 9 . 1 1 42 42 ALA HA H 541 4.499 4.499 4.675 -0.176 18467 6062 1 9 . 1 1 42 42 ALA CA C 541 49.035 49.035 48.530 0.505 18467 6063 1 9 . 1 1 42 42 ALA CB C 541 22.804 22.804 19.666 3.138 18467 6064 1 9 . 1 1 42 42 ALA H H 541 8.572 8.572 8.991 -0.419 18467 6065 1 9 . 1 1 43 43 PRO HA H 542 5.030 5.030 5.100 -0.070 18467 6066 1 9 . 1 1 43 43 PRO C C 542 177.796 177.796 177.262 0.534 18467 6067 1 9 . 1 1 43 43 PRO CA C 542 60.823 60.823 62.122 -1.299 18467 6068 1 9 . 1 1 43 43 PRO CB C 542 31.462 31.462 32.614 -1.152 18467 6069 1 9 . 1 1 44 44 THR N N 543 111.786 111.786 114.082 -2.296 18467 6070 1 9 . 1 1 44 44 THR HA H 543 4.423 4.423 4.595 -0.172 18467 6071 1 9 . 1 1 44 44 THR C C 543 176.323 176.323 175.503 0.820 18467 6072 1 9 . 1 1 44 44 THR CA C 543 60.816 60.816 59.643 1.173 18467 6073 1 9 . 1 1 44 44 THR CB C 543 71.498 71.498 70.262 1.236 18467 6074 1 9 . 1 1 44 44 THR H H 543 7.739 7.739 8.193 -0.454 18467 6075 1 9 . 1 1 45 45 ASN N N 544 118.432 118.432 118.550 -0.118 18467 6076 1 9 . 1 1 45 45 ASN HA H 544 4.621 4.621 4.442 0.179 18467 6077 1 9 . 1 1 45 45 ASN C C 544 177.738 177.738 176.646 1.092 18467 6078 1 9 . 1 1 45 45 ASN CA C 544 56.092 56.092 56.860 -0.768 18467 6079 1 9 . 1 1 45 45 ASN CB C 544 37.329 37.329 38.436 -1.107 18467 6080 1 9 . 1 1 45 45 ASN H H 544 8.679 8.679 8.805 -0.126 18467 6081 1 9 . 1 1 46 46 GLU N N 545 117.774 117.774 117.904 -0.130 18467 6082 1 9 . 1 1 46 46 GLU HA H 545 3.800 3.800 4.069 -0.269 18467 6083 1 9 . 1 1 46 46 GLU C C 545 178.277 178.277 177.035 1.242 18467 6084 1 9 . 1 1 46 46 GLU CA C 545 60.129 60.129 58.853 1.276 18467 6085 1 9 . 1 1 46 46 GLU CB C 545 29.254 29.254 28.837 0.417 18467 6086 1 9 . 1 1 46 46 GLU H H 545 8.213 8.213 8.199 0.014 18467 6087 1 9 . 1 1 47 47 ALA N N 546 121.430 121.430 121.879 -0.449 18467 6088 1 9 . 1 1 47 47 ALA HA H 546 3.965 3.965 4.252 -0.287 18467 6089 1 9 . 1 1 47 47 ALA C C 546 180.270 180.270 178.686 1.584 18467 6090 1 9 . 1 1 47 47 ALA CA C 546 54.894 54.894 53.969 0.925 18467 6091 1 9 . 1 1 47 47 ALA CB C 546 19.469 19.469 18.423 1.046 18467 6092 1 9 . 1 1 47 47 ALA H H 546 7.344 7.344 7.055 0.289 18467 6093 1 9 . 1 1 48 48 PHE N N 547 115.617 115.617 116.450 -0.833 18467 6094 1 9 . 1 1 48 48 PHE HA H 547 3.923 3.923 3.776 0.147 18467 6095 1 9 . 1 1 48 48 PHE C C 547 178.849 178.849 176.125 2.724 18467 6096 1 9 . 1 1 48 48 PHE CA C 547 61.460 61.460 59.253 2.207 18467 6097 1 9 . 1 1 48 48 PHE CB C 547 38.400 38.400 37.753 0.647 18467 6098 1 9 . 1 1 48 48 PHE H H 547 7.128 7.128 6.902 0.226 18467 6099 1 9 . 1 1 49 49 ARG N N 548 118.721 118.721 118.306 0.415 18467 6100 1 9 . 1 1 49 49 ARG C C 548 175.961 175.961 176.556 -0.595 18467 6101 1 9 . 1 1 49 49 ARG CA C 548 58.359 58.359 56.720 1.639 18467 6102 1 9 . 1 1 49 49 ARG CB C 548 30.082 30.082 30.922 -0.840 18467 6103 1 9 . 1 1 49 49 ARG H H 548 8.233 8.233 7.455 0.778 18467 6104 1 9 . 1 1 50 50 ALA N N 549 118.911 118.911 122.674 -3.763 18467 6105 1 9 . 1 1 50 50 ALA HA H 549 4.309 4.309 4.318 -0.009 18467 6106 1 9 . 1 1 50 50 ALA C C 549 178.758 178.758 177.214 1.544 18467 6107 1 9 . 1 1 50 50 ALA CA C 549 52.405 52.405 52.020 0.385 18467 6108 1 9 . 1 1 50 50 ALA CB C 549 18.856 18.856 18.876 -0.020 18467 6109 1 9 . 1 1 50 50 ALA H H 549 7.166 7.166 7.656 -0.490 18467 6110 1 9 . 1 1 51 51 LEU N N 550 119.543 119.543 116.682 2.861 18467 6111 1 9 . 1 1 51 51 LEU HA H 550 4.541 4.541 4.793 -0.252 18467 6112 1 9 . 1 1 51 51 LEU CA C 550 53.504 53.504 52.095 1.409 18467 6113 1 9 . 1 1 51 51 LEU CB C 550 41.195 41.195 41.136 0.059 18467 6114 1 9 . 1 1 51 51 LEU H H 550 7.130 7.130 7.339 -0.209 18467 6115 1 9 . 1 1 52 52 PRO HA H 551 4.780 4.780 4.873 -0.093 18467 6116 1 9 . 1 1 52 52 PRO CA C 551 61.356 61.356 61.295 0.061 18467 6117 1 9 . 1 1 52 52 PRO CB C 551 31.589 31.589 31.245 0.344 18467 6118 1 9 . 1 1 53 53 PRO HA H 552 4.415 4.415 4.133 0.282 18467 6119 1 9 . 1 1 53 53 PRO CA C 552 65.934 65.934 65.842 0.092 18467 6120 1 9 . 1 1 53 53 PRO CB C 552 32.117 32.117 31.887 0.231 18467 6121 1 9 . 1 1 54 54 ARG C C 553 178.861 178.861 179.043 -0.182 18467 6122 1 9 . 1 1 54 54 ARG CA C 553 59.040 59.040 57.398 1.642 18467 6123 1 9 . 1 1 54 54 ARG CB C 553 29.650 29.650 29.201 0.449 18467 6124 1 9 . 1 1 55 55 GLU N N 554 120.619 120.619 121.403 -0.784 18467 6125 1 9 . 1 1 55 55 GLU HA H 554 4.569 4.569 4.167 0.402 18467 6126 1 9 . 1 1 55 55 GLU CA C 554 57.913 57.913 59.636 -1.723 18467 6127 1 9 . 1 1 55 55 GLU CB C 554 29.799 29.799 29.392 0.407 18467 6128 1 9 . 1 1 55 55 GLU H H 554 7.713 7.713 7.777 -0.064 18467 6129 1 9 . 1 1 56 56 TRP N N 555 120.789 120.789 119.734 1.055 18467 6130 1 9 . 1 1 56 56 TRP HA H 555 4.790 4.790 4.714 0.076 18467 6131 1 9 . 1 1 56 56 TRP C C 555 176.837 176.837 179.056 -2.219 18467 6132 1 9 . 1 1 56 56 TRP CA C 555 59.458 59.458 60.772 -1.314 18467 6133 1 9 . 1 1 56 56 TRP CB C 555 30.606 30.606 29.504 1.102 18467 6134 1 9 . 1 1 56 56 TRP H H 555 8.151 8.151 7.823 0.328 18467 6135 1 9 . 1 1 57 57 SER N N 556 110.579 110.579 115.174 -4.595 18467 6136 1 9 . 1 1 57 57 SER HA H 556 4.169 4.169 4.111 0.059 18467 6137 1 9 . 1 1 57 57 SER C C 556 177.169 177.169 176.457 0.712 18467 6138 1 9 . 1 1 57 57 SER CA C 556 61.964 61.964 62.302 -0.338 18467 6139 1 9 . 1 1 57 57 SER H H 556 8.263 8.263 8.124 0.139 18467 6140 1 9 . 1 1 58 58 ARG N N 557 122.546 122.546 120.200 2.346 18467 6141 1 9 . 1 1 58 58 ARG CA C 557 59.314 59.314 58.532 0.782 18467 6142 1 9 . 1 1 58 58 ARG CB C 557 30.188 30.188 30.406 -0.218 18467 6143 1 9 . 1 1 58 58 ARG H H 557 7.594 7.594 7.390 0.204 18467 6144 1 9 . 1 1 59 59 LEU N N 558 120.695 120.695 120.712 -0.017 18467 6145 1 9 . 1 1 59 59 LEU HA H 558 3.902 3.902 3.860 0.042 18467 6146 1 9 . 1 1 59 59 LEU C C 558 178.293 178.293 179.085 -0.792 18467 6147 1 9 . 1 1 59 59 LEU CA C 558 57.989 57.989 57.492 0.496 18467 6148 1 9 . 1 1 59 59 LEU CB C 558 41.974 41.974 41.542 0.431 18467 6149 1 9 . 1 1 59 59 LEU H H 558 8.143 8.143 7.946 0.197 18467 6150 1 9 . 1 1 60 60 LEU N N 559 115.713 115.713 115.318 0.395 18467 6151 1 9 . 1 1 60 60 LEU HA H 559 3.643 3.643 4.095 -0.452 18467 6152 1 9 . 1 1 60 60 LEU C C 559 178.818 178.818 178.238 0.580 18467 6153 1 9 . 1 1 60 60 LEU CA C 559 56.773 56.773 56.161 0.612 18467 6154 1 9 . 1 1 60 60 LEU CB C 559 41.434 41.434 41.338 0.096 18467 6155 1 9 . 1 1 60 60 LEU H H 559 7.725 7.725 7.834 -0.109 18467 6156 1 9 . 1 1 61 61 GLY N N 560 103.312 103.312 106.434 -3.122 18467 6157 1 9 . 1 1 61 61 GLY C C 560 173.364 173.364 174.041 -0.677 18467 6158 1 9 . 1 1 61 61 GLY CA C 560 45.029 45.029 44.888 0.141 18467 6159 1 9 . 1 1 61 61 GLY H H 560 7.311 7.311 7.578 -0.267 18467 6160 1 9 . 1 1 62 62 ASP N N 561 122.455 122.455 120.472 1.983 18467 6161 1 9 . 1 1 62 62 ASP HA H 561 4.847 4.847 4.822 0.025 18467 6162 1 9 . 1 1 62 62 ASP C C 561 173.909 173.909 175.611 -1.702 18467 6163 1 9 . 1 1 62 62 ASP CA C 561 52.302 52.302 53.033 -0.731 18467 6164 1 9 . 1 1 62 62 ASP CB C 561 41.362 41.362 43.733 -2.371 18467 6165 1 9 . 1 1 62 62 ASP H H 561 7.532 7.532 7.727 -0.195 18467 6166 1 9 . 1 1 63 63 ALA N N 562 125.643 125.643 127.402 -1.759 18467 6167 1 9 . 1 1 63 63 ALA HA H 562 4.019 4.019 4.009 0.010 18467 6168 1 9 . 1 1 63 63 ALA C C 562 180.109 180.109 179.052 1.057 18467 6169 1 9 . 1 1 63 63 ALA CA C 562 55.660 55.660 55.345 0.315 18467 6170 1 9 . 1 1 63 63 ALA CB C 562 18.980 18.980 19.194 -0.214 18467 6171 1 9 . 1 1 63 63 ALA H H 562 8.372 8.372 8.786 -0.414 18467 6172 1 9 . 1 1 64 64 LYS N N 563 117.354 117.354 117.078 0.276 18467 6173 1 9 . 1 1 64 64 LYS HA H 563 4.116 4.116 4.089 0.027 18467 6174 1 9 . 1 1 64 64 LYS C C 563 179.293 179.293 178.650 0.643 18467 6175 1 9 . 1 1 64 64 LYS CA C 563 59.459 59.459 57.983 1.476 18467 6176 1 9 . 1 1 64 64 LYS CB C 563 32.165 32.165 31.517 0.648 18467 6177 1 9 . 1 1 64 64 LYS H H 563 8.111 8.111 7.987 0.124 18467 6178 1 9 . 1 1 65 65 GLU N N 564 120.953 120.953 121.283 -0.330 18467 6179 1 9 . 1 1 65 65 GLU HA H 564 4.207 4.207 4.053 0.154 18467 6180 1 9 . 1 1 65 65 GLU C C 564 179.679 179.679 178.515 1.164 18467 6181 1 9 . 1 1 65 65 GLU CA C 564 58.683 58.683 58.959 -0.276 18467 6182 1 9 . 1 1 65 65 GLU CB C 564 29.403 29.403 29.429 -0.026 18467 6183 1 9 . 1 1 65 65 GLU H H 564 7.725 7.725 7.959 -0.234 18467 6184 1 9 . 1 1 66 66 LEU N N 565 120.534 120.534 120.392 0.142 18467 6185 1 9 . 1 1 66 66 LEU HA H 565 4.117 4.117 3.929 0.188 18467 6186 1 9 . 1 1 66 66 LEU C C 565 178.692 178.692 178.443 0.249 18467 6187 1 9 . 1 1 66 66 LEU CA C 565 57.883 57.883 57.450 0.433 18467 6188 1 9 . 1 1 66 66 LEU CB C 565 40.916 40.916 41.490 -0.574 18467 6189 1 9 . 1 1 66 66 LEU H H 565 8.668 8.668 7.945 0.723 18467 6190 1 9 . 1 1 67 67 ALA N N 566 119.170 119.170 120.219 -1.049 18467 6191 1 9 . 1 1 67 67 ALA HA H 566 3.904 3.904 3.893 0.011 18467 6192 1 9 . 1 1 67 67 ALA C C 566 179.042 179.042 179.484 -0.442 18467 6193 1 9 . 1 1 67 67 ALA CA C 566 55.916 55.916 55.051 0.865 18467 6194 1 9 . 1 1 67 67 ALA CB C 566 17.972 17.972 17.832 0.140 18467 6195 1 9 . 1 1 67 67 ALA H H 566 8.474 8.474 8.744 -0.270 18467 6196 1 9 . 1 1 68 68 ASN N N 567 115.725 115.725 116.935 -1.210 18467 6197 1 9 . 1 1 68 68 ASN HA H 567 4.479 4.479 4.451 0.028 18467 6198 1 9 . 1 1 68 68 ASN CA C 567 57.014 57.014 55.876 1.138 18467 6199 1 9 . 1 1 68 68 ASN CB C 567 38.597 38.597 38.150 0.447 18467 6200 1 9 . 1 1 68 68 ASN H H 567 7.555 7.555 7.651 -0.096 18467 6201 1 9 . 1 1 69 69 ILE N N 568 118.231 118.231 117.880 0.351 18467 6202 1 9 . 1 1 69 69 ILE HA H 568 4.125 4.125 4.036 0.089 18467 6203 1 9 . 1 1 69 69 ILE C C 568 179.766 179.766 178.542 1.224 18467 6204 1 9 . 1 1 69 69 ILE CA C 568 64.168 64.168 63.758 0.410 18467 6205 1 9 . 1 1 69 69 ILE CB C 568 38.547 38.547 38.742 -0.195 18467 6206 1 9 . 1 1 69 69 ILE H H 568 7.832 7.832 7.412 0.420 18467 6207 1 9 . 1 1 70 70 LEU N N 569 120.962 120.962 121.354 -0.392 18467 6208 1 9 . 1 1 70 70 LEU HA H 569 4.114 4.114 4.315 -0.201 18467 6209 1 9 . 1 1 70 70 LEU C C 569 179.633 179.633 178.944 0.689 18467 6210 1 9 . 1 1 70 70 LEU CA C 569 58.463 58.463 57.635 0.828 18467 6211 1 9 . 1 1 70 70 LEU CB C 569 42.056 42.056 41.488 0.568 18467 6212 1 9 . 1 1 70 70 LEU H H 569 8.705 8.705 8.175 0.530 18467 6213 1 9 . 1 1 71 71 LYS N N 570 116.318 116.318 117.515 -1.197 18467 6214 1 9 . 1 1 71 71 LYS HA H 570 3.933 3.933 4.119 -0.186 18467 6215 1 9 . 1 1 71 71 LYS C C 570 177.691 177.691 178.734 -1.043 18467 6216 1 9 . 1 1 71 71 LYS CA C 570 60.750 60.750 58.683 2.067 18467 6217 1 9 . 1 1 71 71 LYS CB C 570 32.439 32.439 32.456 -0.018 18467 6218 1 9 . 1 1 71 71 LYS H H 570 8.889 8.889 8.083 0.806 18467 6219 1 9 . 1 1 72 72 TYR N N 571 119.628 119.628 119.868 -0.240 18467 6220 1 9 . 1 1 72 72 TYR HA H 571 4.596 4.596 4.516 0.080 18467 6221 1 9 . 1 1 72 72 TYR C C 571 171.958 171.958 176.272 -4.314 18467 6222 1 9 . 1 1 72 72 TYR CA C 571 59.022 59.022 58.997 0.025 18467 6223 1 9 . 1 1 72 72 TYR CB C 571 38.970 38.970 38.893 0.077 18467 6224 1 9 . 1 1 72 72 TYR H H 571 7.557 7.557 8.151 -0.594 18467 6225 1 9 . 1 1 73 73 HIS N N 572 108.692 108.692 116.963 -8.271 18467 6226 1 9 . 1 1 73 73 HIS HA H 572 4.206 4.206 4.327 -0.121 18467 6227 1 9 . 1 1 73 73 HIS C C 572 173.668 173.668 174.923 -1.255 18467 6228 1 9 . 1 1 73 73 HIS CA C 572 58.880 58.880 60.125 -1.245 18467 6229 1 9 . 1 1 73 73 HIS CB C 572 28.164 28.164 30.420 -2.256 18467 6230 1 9 . 1 1 73 73 HIS H H 572 7.583 7.583 7.709 -0.126 18467 6231 1 9 . 1 1 74 74 ILE N N 573 117.585 117.585 117.278 0.307 18467 6232 1 9 . 1 1 74 74 ILE HA H 573 5.236 5.236 4.694 0.542 18467 6233 1 9 . 1 1 74 74 ILE C C 573 175.634 175.634 175.419 0.215 18467 6234 1 9 . 1 1 74 74 ILE CA C 573 59.501 59.501 60.330 -0.829 18467 6235 1 9 . 1 1 74 74 ILE CB C 573 40.955 40.955 40.702 0.253 18467 6236 1 9 . 1 1 74 74 ILE H H 573 7.283 7.283 7.245 0.038 18467 6237 1 9 . 1 1 75 75 GLY N N 574 111.783 111.783 111.159 0.624 18467 6238 1 9 . 1 1 75 75 GLY C C 574 173.914 173.914 174.396 -0.482 18467 6239 1 9 . 1 1 75 75 GLY CA C 574 43.960 43.960 43.556 0.404 18467 6240 1 9 . 1 1 75 75 GLY H H 574 10.218 10.218 8.820 1.398 18467 6241 1 9 . 1 1 76 76 ASP N N 575 120.537 120.537 119.949 0.588 18467 6242 1 9 . 1 1 76 76 ASP HA H 575 4.759 4.759 4.536 0.223 18467 6243 1 9 . 1 1 76 76 ASP C C 575 174.756 174.756 175.268 -0.512 18467 6244 1 9 . 1 1 76 76 ASP CA C 575 53.707 53.707 56.416 -2.709 18467 6245 1 9 . 1 1 76 76 ASP CB C 575 41.029 41.029 42.015 -0.986 18467 6246 1 9 . 1 1 76 76 ASP H H 575 8.361 8.361 8.738 -0.377 18467 6247 1 9 . 1 1 77 77 GLU N N 576 114.270 114.270 113.297 0.973 18467 6248 1 9 . 1 1 77 77 GLU HA H 576 4.472 4.472 4.492 -0.020 18467 6249 1 9 . 1 1 77 77 GLU CA C 576 54.500 54.500 54.337 0.163 18467 6250 1 9 . 1 1 77 77 GLU CB C 576 33.422 33.422 32.283 1.139 18467 6251 1 9 . 1 1 77 77 GLU H H 576 7.266 7.266 7.756 -0.490 18467 6252 1 9 . 1 1 78 78 ILE N N 577 120.961 120.961 120.786 0.175 18467 6253 1 9 . 1 1 78 78 ILE HA H 577 3.570 3.570 4.565 -0.995 18467 6254 1 9 . 1 1 78 78 ILE C C 577 174.815 174.815 175.678 -0.863 18467 6255 1 9 . 1 1 78 78 ILE CA C 577 62.347 62.347 61.648 0.699 18467 6256 1 9 . 1 1 78 78 ILE CB C 577 38.390 38.390 38.182 0.208 18467 6257 1 9 . 1 1 78 78 ILE H H 577 8.514 8.514 8.518 -0.004 18467 6258 1 9 . 1 1 79 79 LEU N N 578 132.660 132.660 132.545 0.115 18467 6259 1 9 . 1 1 79 79 LEU HA H 578 4.779 4.779 4.721 0.058 18467 6260 1 9 . 1 1 79 79 LEU C C 578 174.161 174.161 175.005 -0.844 18467 6261 1 9 . 1 1 79 79 LEU CA C 578 53.881 53.881 53.671 0.210 18467 6262 1 9 . 1 1 79 79 LEU CB C 578 44.088 44.088 43.141 0.947 18467 6263 1 9 . 1 1 79 79 LEU H H 578 7.973 7.973 9.016 -1.043 18467 6264 1 9 . 1 1 80 80 VAL N N 579 118.506 118.506 119.846 -1.340 18467 6265 1 9 . 1 1 80 80 VAL HA H 579 4.767 4.767 4.622 0.145 18467 6266 1 9 . 1 1 80 80 VAL C C 579 178.415 178.415 176.953 1.462 18467 6267 1 9 . 1 1 80 80 VAL CA C 579 59.505 59.505 60.695 -1.190 18467 6268 1 9 . 1 1 80 80 VAL CB C 579 33.491 33.491 33.071 0.420 18467 6269 1 9 . 1 1 80 80 VAL H H 579 7.968 7.968 7.904 0.064 18467 6270 1 9 . 1 1 81 81 SER N N 580 121.910 121.910 117.648 4.262 18467 6271 1 9 . 1 1 81 81 SER HA H 580 3.828 3.828 4.278 -0.450 18467 6272 1 9 . 1 1 81 81 SER C C 580 177.014 177.014 175.559 1.455 18467 6273 1 9 . 1 1 81 81 SER CA C 580 62.856 62.856 61.437 1.419 18467 6274 1 9 . 1 1 81 81 SER CB C 580 62.118 62.118 63.079 -0.961 18467 6275 1 9 . 1 1 81 81 SER H H 580 11.091 11.091 9.782 1.309 18467 6276 1 9 . 1 1 82 82 GLY N N 581 107.507 107.507 106.107 1.400 18467 6277 1 9 . 1 1 82 82 GLY C C 581 174.753 174.753 175.236 -0.483 18467 6278 1 9 . 1 1 82 82 GLY CA C 581 45.933 45.933 45.726 0.207 18467 6279 1 9 . 1 1 82 82 GLY H H 581 8.283 8.283 8.270 0.013 18467 6280 1 9 . 1 1 83 83 GLY N N 582 107.844 107.844 108.480 -0.636 18467 6281 1 9 . 1 1 83 83 GLY C C 582 174.383 174.383 174.817 -0.434 18467 6282 1 9 . 1 1 83 83 GLY CA C 582 44.437 44.437 44.416 0.021 18467 6283 1 9 . 1 1 83 83 GLY H H 582 8.244 8.244 7.942 0.302 18467 6284 1 9 . 1 1 84 84 ILE N N 583 120.981 120.981 122.723 -1.742 18467 6285 1 9 . 1 1 84 84 ILE HA H 583 3.820 3.820 3.852 -0.032 18467 6286 1 9 . 1 1 84 84 ILE C C 583 175.634 175.634 175.454 0.180 18467 6287 1 9 . 1 1 84 84 ILE CA C 583 62.879 62.879 62.388 0.491 18467 6288 1 9 . 1 1 84 84 ILE CB C 583 39.028 39.028 36.021 3.007 18467 6289 1 9 . 1 1 84 84 ILE H H 583 7.307 7.307 7.545 -0.238 18467 6290 1 9 . 1 1 85 85 GLY N N 584 112.078 112.078 112.998 -0.920 18467 6291 1 9 . 1 1 85 85 GLY C C 584 173.113 173.113 173.078 0.035 18467 6292 1 9 . 1 1 85 85 GLY CA C 584 45.639 45.639 45.525 0.114 18467 6293 1 9 . 1 1 85 85 GLY H H 584 7.953 7.953 8.034 -0.080 18467 6294 1 9 . 1 1 86 86 ALA N N 585 125.109 125.109 120.814 4.295 18467 6295 1 9 . 1 1 86 86 ALA HA H 585 4.312 4.312 4.685 -0.373 18467 6296 1 9 . 1 1 86 86 ALA C C 585 177.336 177.336 175.593 1.743 18467 6297 1 9 . 1 1 86 86 ALA CA C 585 54.080 54.080 51.559 2.521 18467 6298 1 9 . 1 1 86 86 ALA CB C 585 19.745 19.745 20.340 -0.595 18467 6299 1 9 . 1 1 86 86 ALA H H 585 8.295 8.295 8.175 0.120 18467 6300 1 9 . 1 1 87 87 LEU N N 586 118.488 118.488 118.106 0.382 18467 6301 1 9 . 1 1 87 87 LEU HA H 586 4.716 4.716 5.556 -0.840 18467 6302 1 9 . 1 1 87 87 LEU C C 586 175.578 175.578 174.813 0.765 18467 6303 1 9 . 1 1 87 87 LEU CA C 586 56.100 56.100 54.182 1.918 18467 6304 1 9 . 1 1 87 87 LEU CB C 586 43.651 43.651 45.672 -2.022 18467 6305 1 9 . 1 1 87 87 LEU H H 586 7.801 7.801 7.528 0.273 18467 6306 1 9 . 1 1 88 88 VAL N N 587 127.976 127.976 126.195 1.781 18467 6307 1 9 . 1 1 88 88 VAL HA H 587 4.308 4.308 4.595 -0.287 18467 6308 1 9 . 1 1 88 88 VAL C C 587 174.142 174.142 173.357 0.785 18467 6309 1 9 . 1 1 88 88 VAL CA C 587 61.428 61.428 60.764 0.664 18467 6310 1 9 . 1 1 88 88 VAL CB C 587 35.784 35.784 36.431 -0.647 18467 6311 1 9 . 1 1 88 88 VAL H H 587 9.510 9.510 9.143 0.367 18467 6312 1 9 . 1 1 89 89 ARG N N 588 125.359 125.359 127.987 -2.628 18467 6313 1 9 . 1 1 89 89 ARG HA H 588 5.257 5.257 5.481 -0.224 18467 6314 1 9 . 1 1 89 89 ARG C C 588 175.003 175.003 174.835 0.168 18467 6315 1 9 . 1 1 89 89 ARG CA C 588 54.807 54.807 53.894 0.913 18467 6316 1 9 . 1 1 89 89 ARG H H 588 8.622 8.622 8.433 0.189 18467 6317 1 9 . 1 1 90 90 LEU N N 589 127.862 127.862 125.445 2.417 18467 6318 1 9 . 1 1 90 90 LEU HA H 589 4.572 4.572 4.726 -0.154 18467 6319 1 9 . 1 1 90 90 LEU C C 589 174.955 174.955 175.183 -0.228 18467 6320 1 9 . 1 1 90 90 LEU CA C 589 53.115 53.115 53.719 -0.604 18467 6321 1 9 . 1 1 90 90 LEU CB C 589 46.021 46.021 45.468 0.553 18467 6322 1 9 . 1 1 90 90 LEU H H 589 8.830 8.830 9.241 -0.411 18467 6323 1 9 . 1 1 91 91 LYS N N 590 129.215 129.215 126.099 3.116 18467 6324 1 9 . 1 1 91 91 LYS HA H 590 4.062 4.062 4.516 -0.454 18467 6325 1 9 . 1 1 91 91 LYS C C 590 174.635 174.635 176.506 -1.871 18467 6326 1 9 . 1 1 91 91 LYS CA C 590 58.307 58.307 56.329 1.978 18467 6327 1 9 . 1 1 91 91 LYS CB C 590 32.514 32.514 33.116 -0.602 18467 6328 1 9 . 1 1 91 91 LYS H H 590 9.429 9.429 8.762 0.667 18467 6329 1 9 . 1 1 92 92 SER N N 591 121.512 121.512 119.158 2.354 18467 6330 1 9 . 1 1 92 92 SER HA H 591 5.581 5.581 5.246 0.335 18467 6331 1 9 . 1 1 92 92 SER C C 591 178.007 178.007 175.540 2.467 18467 6332 1 9 . 1 1 92 92 SER CA C 591 58.234 58.234 56.788 1.446 18467 6333 1 9 . 1 1 92 92 SER CB C 591 67.287 67.287 66.065 1.222 18467 6334 1 9 . 1 1 92 92 SER H H 591 7.995 7.995 8.652 -0.657 18467 6335 1 9 . 1 1 93 93 LEU N N 592 121.124 121.124 118.844 2.280 18467 6336 1 9 . 1 1 93 93 LEU HA H 592 4.300 4.300 4.337 -0.037 18467 6337 1 9 . 1 1 93 93 LEU C C 592 178.518 178.518 178.798 -0.280 18467 6338 1 9 . 1 1 93 93 LEU CA C 592 57.245 57.245 56.439 0.806 18467 6339 1 9 . 1 1 93 93 LEU CB C 592 41.313 41.313 41.072 0.241 18467 6340 1 9 . 1 1 93 93 LEU H H 592 9.336 9.336 8.345 0.991 18467 6341 1 9 . 1 1 94 94 GLN N N 593 118.739 118.739 118.435 0.304 18467 6342 1 9 . 1 1 94 94 GLN HA H 593 4.249 4.249 4.219 0.030 18467 6343 1 9 . 1 1 94 94 GLN C C 593 176.082 176.082 177.069 -0.987 18467 6344 1 9 . 1 1 94 94 GLN CA C 593 56.540 56.540 57.120 -0.580 18467 6345 1 9 . 1 1 94 94 GLN CB C 593 27.654 27.654 29.848 -2.193 18467 6346 1 9 . 1 1 94 94 GLN H H 593 7.491 7.491 8.018 -0.527 18467 6347 1 9 . 1 1 95 95 GLY N N 594 109.382 109.382 104.518 4.864 18467 6348 1 9 . 1 1 95 95 GLY C C 594 174.393 174.393 173.718 0.675 18467 6349 1 9 . 1 1 95 95 GLY CA C 594 45.457 45.457 44.668 0.789 18467 6350 1 9 . 1 1 95 95 GLY H H 594 7.631 7.631 7.837 -0.206 18467 6351 1 9 . 1 1 96 96 ASP N N 595 121.087 121.087 120.926 0.161 18467 6352 1 9 . 1 1 96 96 ASP HA H 595 4.863 4.863 5.044 -0.181 18467 6353 1 9 . 1 1 96 96 ASP C C 595 177.273 177.273 174.352 2.921 18467 6354 1 9 . 1 1 96 96 ASP CA C 595 54.520 54.520 52.552 1.968 18467 6355 1 9 . 1 1 96 96 ASP CB C 595 41.277 41.277 43.395 -2.118 18467 6356 1 9 . 1 1 96 96 ASP H H 595 8.650 8.650 8.010 0.640 18467 6357 1 9 . 1 1 97 97 LYS N N 596 119.713 119.713 118.882 0.831 18467 6358 1 9 . 1 1 97 97 LYS HA H 596 5.025 5.025 4.876 0.149 18467 6359 1 9 . 1 1 97 97 LYS C C 596 176.566 176.566 176.068 0.498 18467 6360 1 9 . 1 1 97 97 LYS CA C 596 56.274 56.274 55.135 1.139 18467 6361 1 9 . 1 1 97 97 LYS CB C 596 33.771 33.771 34.137 -0.366 18467 6362 1 9 . 1 1 97 97 LYS H H 596 9.028 9.028 8.364 0.664 18467 6363 1 9 . 1 1 98 98 LEU N N 597 125.754 125.754 127.517 -1.763 18467 6364 1 9 . 1 1 98 98 LEU HA H 597 4.398 4.398 4.714 -0.316 18467 6365 1 9 . 1 1 98 98 LEU C C 597 176.144 176.144 176.452 -0.308 18467 6366 1 9 . 1 1 98 98 LEU CA C 597 53.899 53.899 54.430 -0.531 18467 6367 1 9 . 1 1 98 98 LEU CB C 597 45.148 45.148 42.060 3.088 18467 6368 1 9 . 1 1 98 98 LEU H H 597 9.336 9.336 9.235 0.101 18467 6369 1 9 . 1 1 99 99 GLU N N 598 121.101 121.101 125.957 -4.856 18467 6370 1 9 . 1 1 99 99 GLU HA H 598 4.662 4.662 4.858 -0.196 18467 6371 1 9 . 1 1 99 99 GLU C C 598 175.132 175.132 175.442 -0.310 18467 6372 1 9 . 1 1 99 99 GLU CA C 598 55.714 55.714 55.325 0.390 18467 6373 1 9 . 1 1 99 99 GLU CB C 598 30.542 30.542 31.246 -0.704 18467 6374 1 9 . 1 1 99 99 GLU H H 598 8.368 8.368 8.773 -0.405 18467 6375 1 9 . 1 1 100 100 VAL N N 599 130.595 130.595 127.488 3.107 18467 6376 1 9 . 1 1 100 100 VAL HA H 599 5.046 5.046 4.711 0.335 18467 6377 1 9 . 1 1 100 100 VAL C C 599 173.759 173.759 174.875 -1.116 18467 6378 1 9 . 1 1 100 100 VAL CA C 599 61.081 61.081 61.078 0.003 18467 6379 1 9 . 1 1 100 100 VAL CB C 599 32.873 32.873 33.457 -0.584 18467 6380 1 9 . 1 1 100 100 VAL H H 599 9.337 9.337 9.167 0.170 18467 6381 1 9 . 1 1 101 101 SER N N 600 119.887 119.887 120.547 -0.660 18467 6382 1 9 . 1 1 101 101 SER HA H 600 4.943 4.943 5.346 -0.403 18467 6383 1 9 . 1 1 101 101 SER C C 600 171.934 171.934 172.468 -0.534 18467 6384 1 9 . 1 1 101 101 SER CA C 600 56.540 56.540 55.844 0.696 18467 6385 1 9 . 1 1 101 101 SER CB C 600 67.405 67.405 65.921 1.484 18467 6386 1 9 . 1 1 101 101 SER H H 600 9.033 9.033 8.877 0.156 18467 6387 1 9 . 1 1 102 102 LEU N N 601 123.007 123.007 124.320 -1.313 18467 6388 1 9 . 1 1 102 102 LEU HA H 601 5.047 5.047 5.350 -0.303 18467 6389 1 9 . 1 1 102 102 LEU C C 601 175.767 175.767 174.803 0.964 18467 6390 1 9 . 1 1 102 102 LEU CA C 601 54.324 54.324 54.413 -0.090 18467 6391 1 9 . 1 1 102 102 LEU CB C 601 45.374 45.374 46.137 -0.763 18467 6392 1 9 . 1 1 102 102 LEU H H 601 7.930 7.930 8.412 -0.483 18467 6393 1 9 . 1 1 103 103 LYS N N 602 126.480 126.480 125.714 0.766 18467 6394 1 9 . 1 1 103 103 LYS HA H 602 4.457 4.457 4.595 -0.138 18467 6395 1 9 . 1 1 103 103 LYS CA C 602 55.707 55.707 56.597 -0.890 18467 6396 1 9 . 1 1 103 103 LYS CB C 602 35.032 35.032 34.700 0.332 18467 6397 1 9 . 1 1 103 103 LYS H H 602 8.335 8.335 8.961 -0.626 18467 6398 1 9 . 1 1 104 104 ASN HA H 603 4.296 4.296 4.417 -0.121 18467 6399 1 9 . 1 1 104 104 ASN C C 603 174.156 174.156 174.496 -0.340 18467 6400 1 9 . 1 1 104 104 ASN CA C 603 54.724 54.724 54.226 0.498 18467 6401 1 9 . 1 1 104 104 ASN CB C 603 37.168 37.168 37.190 -0.022 18467 6402 1 9 . 1 1 105 105 ASN N N 604 108.763 108.763 112.026 -3.263 18467 6403 1 9 . 1 1 105 105 ASN HA H 604 4.167 4.167 4.351 -0.183 18467 6404 1 9 . 1 1 105 105 ASN C C 604 173.754 173.754 173.814 -0.060 18467 6405 1 9 . 1 1 105 105 ASN CA C 604 55.146 55.146 54.614 0.532 18467 6406 1 9 . 1 1 105 105 ASN CB C 604 38.249 38.249 38.458 -0.209 18467 6407 1 9 . 1 1 105 105 ASN H H 604 8.682 8.682 8.497 0.185 18467 6408 1 9 . 1 1 106 106 VAL N N 605 121.612 121.612 119.207 2.405 18467 6409 1 9 . 1 1 106 106 VAL HA H 605 4.285 4.285 4.231 0.054 18467 6410 1 9 . 1 1 106 106 VAL C C 605 176.332 176.332 175.310 1.022 18467 6411 1 9 . 1 1 106 106 VAL CA C 605 62.112 62.112 61.821 0.291 18467 6412 1 9 . 1 1 106 106 VAL CB C 605 34.425 34.425 32.980 1.446 18467 6413 1 9 . 1 1 106 106 VAL H H 605 7.906 7.906 7.690 0.216 18467 6414 1 9 . 1 1 107 107 VAL N N 606 133.233 133.233 129.011 4.222 18467 6415 1 9 . 1 1 107 107 VAL HA H 606 4.615 4.615 4.838 -0.223 18467 6416 1 9 . 1 1 107 107 VAL C C 606 174.697 174.697 175.855 -1.158 18467 6417 1 9 . 1 1 107 107 VAL CA C 606 61.712 61.712 61.769 -0.057 18467 6418 1 9 . 1 1 107 107 VAL CB C 606 32.254 32.254 33.037 -0.783 18467 6419 1 9 . 1 1 107 107 VAL H H 606 9.422 9.422 8.694 0.728 18467 6420 1 9 . 1 1 108 108 SER N N 607 120.829 120.829 123.829 -3.000 18467 6421 1 9 . 1 1 108 108 SER HA H 607 5.360 5.360 5.138 0.222 18467 6422 1 9 . 1 1 108 108 SER C C 607 171.938 171.938 173.166 -1.228 18467 6423 1 9 . 1 1 108 108 SER CA C 607 57.031 57.031 57.250 -0.219 18467 6424 1 9 . 1 1 108 108 SER CB C 607 66.490 66.490 63.782 2.708 18467 6425 1 9 . 1 1 108 108 SER H H 607 9.113 9.113 9.196 -0.083 18467 6426 1 9 . 1 1 109 109 VAL N N 608 121.130 121.130 126.713 -5.583 18467 6427 1 9 . 1 1 109 109 VAL HA H 608 4.797 4.797 4.513 0.284 18467 6428 1 9 . 1 1 109 109 VAL C C 608 173.930 173.930 175.134 -1.204 18467 6429 1 9 . 1 1 109 109 VAL CA C 608 57.351 57.351 59.810 -2.459 18467 6430 1 9 . 1 1 109 109 VAL CB C 608 33.964 33.964 32.648 1.316 18467 6431 1 9 . 1 1 109 109 VAL H H 608 9.120 9.120 8.980 0.140 18467 6432 1 9 . 1 1 110 110 ASN N N 609 128.284 128.284 127.926 0.358 18467 6433 1 9 . 1 1 110 110 ASN HA H 609 4.271 4.271 4.316 -0.045 18467 6434 1 9 . 1 1 110 110 ASN C C 609 175.369 175.369 174.740 0.629 18467 6435 1 9 . 1 1 110 110 ASN CA C 609 54.004 54.004 54.587 -0.582 18467 6436 1 9 . 1 1 110 110 ASN CB C 609 35.927 35.927 36.237 -0.310 18467 6437 1 9 . 1 1 110 110 ASN H H 609 9.777 9.777 9.315 0.462 18467 6438 1 9 . 1 1 111 111 LYS N N 610 107.711 107.711 112.576 -4.865 18467 6439 1 9 . 1 1 111 111 LYS HA H 610 3.660 3.660 3.952 -0.292 18467 6440 1 9 . 1 1 111 111 LYS C C 610 175.573 175.573 175.436 0.137 18467 6441 1 9 . 1 1 111 111 LYS CA C 610 58.404 58.404 57.900 0.504 18467 6442 1 9 . 1 1 111 111 LYS CB C 610 30.549 30.549 32.150 -1.601 18467 6443 1 9 . 1 1 111 111 LYS H H 610 8.290 8.290 8.280 0.010 18467 6444 1 9 . 1 1 112 112 GLU N N 611 125.822 125.822 120.189 5.633 18467 6445 1 9 . 1 1 112 112 GLU HA H 611 4.763 4.763 4.707 0.056 18467 6446 1 9 . 1 1 112 112 GLU CA C 611 52.981 52.981 53.481 -0.500 18467 6447 1 9 . 1 1 112 112 GLU CB C 611 29.509 29.509 30.206 -0.697 18467 6448 1 9 . 1 1 112 112 GLU H H 611 8.595 8.595 7.613 0.982 18467 6449 1 9 . 1 1 113 113 PRO HA H 612 4.682 4.682 4.919 -0.237 18467 6450 1 9 . 1 1 113 113 PRO C C 612 177.310 177.310 176.389 0.921 18467 6451 1 9 . 1 1 113 113 PRO CA C 612 62.649 62.649 62.765 -0.116 18467 6452 1 9 . 1 1 113 113 PRO CB C 612 32.139 32.139 32.028 0.111 18467 6453 1 9 . 1 1 114 114 VAL N N 613 124.773 124.773 123.777 0.996 18467 6454 1 9 . 1 1 114 114 VAL HA H 613 4.274 4.274 4.264 0.010 18467 6455 1 9 . 1 1 114 114 VAL C C 613 176.558 176.558 176.340 0.218 18467 6456 1 9 . 1 1 114 114 VAL CA C 613 62.350 62.350 61.733 0.617 18467 6457 1 9 . 1 1 114 114 VAL CB C 613 32.473 32.473 33.011 -0.538 18467 6458 1 9 . 1 1 114 114 VAL H H 613 9.214 9.214 8.613 0.601 18467 6459 1 9 . 1 1 115 115 ALA N N 614 132.583 132.583 130.969 1.614 18467 6460 1 9 . 1 1 115 115 ALA HA H 614 4.321 4.321 4.348 -0.027 18467 6461 1 9 . 1 1 115 115 ALA C C 614 178.354 178.354 177.523 0.831 18467 6462 1 9 . 1 1 115 115 ALA CA C 614 53.995 53.995 53.712 0.283 18467 6463 1 9 . 1 1 115 115 ALA CB C 614 19.616 19.616 19.902 -0.286 18467 6464 1 9 . 1 1 115 115 ALA H H 614 8.935 8.935 9.114 -0.179 18467 6465 1 9 . 1 1 116 116 GLU N N 615 115.172 115.172 118.327 -3.155 18467 6466 1 9 . 1 1 116 116 GLU HA H 615 4.866 4.866 4.837 0.029 18467 6467 1 9 . 1 1 116 116 GLU CA C 615 53.432 53.432 52.660 0.772 18467 6468 1 9 . 1 1 116 116 GLU CB C 615 31.554 31.554 31.375 0.180 18467 6469 1 9 . 1 1 116 116 GLU H H 615 6.867 6.867 7.905 -1.038 18467 6470 1 9 . 1 1 117 117 PRO HA H 616 5.651 5.651 4.792 0.859 18467 6471 1 9 . 1 1 117 117 PRO C C 616 177.099 177.099 176.463 0.636 18467 6472 1 9 . 1 1 117 117 PRO CA C 616 61.960 61.960 63.012 -1.052 18467 6473 1 9 . 1 1 117 117 PRO CB C 616 33.618 33.618 32.576 1.042 18467 6474 1 9 . 1 1 118 118 ASP N N 617 114.290 114.290 116.352 -2.062 18467 6475 1 9 . 1 1 118 118 ASP HA H 617 3.881 3.881 4.085 -0.204 18467 6476 1 9 . 1 1 118 118 ASP C C 617 174.967 174.967 176.216 -1.249 18467 6477 1 9 . 1 1 118 118 ASP CA C 617 54.921 54.921 55.486 -0.565 18467 6478 1 9 . 1 1 118 118 ASP CB C 617 37.857 37.857 39.882 -2.025 18467 6479 1 9 . 1 1 118 118 ASP H H 617 9.727 9.727 7.731 1.996 18467 6480 1 9 . 1 1 119 119 ILE N N 618 121.048 121.048 119.974 1.074 18467 6481 1 9 . 1 1 119 119 ILE HA H 618 4.037 4.037 4.039 -0.002 18467 6482 1 9 . 1 1 119 119 ILE C C 618 175.869 175.869 175.465 0.404 18467 6483 1 9 . 1 1 119 119 ILE CA C 618 62.807 62.807 61.045 1.762 18467 6484 1 9 . 1 1 119 119 ILE CB C 618 36.618 36.618 36.654 -0.036 18467 6485 1 9 . 1 1 119 119 ILE H H 618 8.750 8.750 8.085 0.665 18467 6486 1 9 . 1 1 120 120 MET N N 619 125.674 125.674 126.451 -0.777 18467 6487 1 9 . 1 1 120 120 MET HA H 619 4.601 4.601 4.519 0.082 18467 6488 1 9 . 1 1 120 120 MET C C 619 174.817 174.817 175.228 -0.411 18467 6489 1 9 . 1 1 120 120 MET CA C 619 54.936 54.936 55.847 -0.911 18467 6490 1 9 . 1 1 120 120 MET CB C 619 31.313 31.313 33.392 -2.079 18467 6491 1 9 . 1 1 120 120 MET H H 619 8.080 8.080 8.025 0.055 18467 6492 1 9 . 1 1 121 121 ALA N N 620 122.849 122.849 123.517 -0.668 18467 6493 1 9 . 1 1 121 121 ALA HA H 620 4.902 4.902 4.776 0.126 18467 6494 1 9 . 1 1 121 121 ALA C C 620 177.908 177.908 177.504 0.404 18467 6495 1 9 . 1 1 121 121 ALA CA C 620 49.986 49.986 50.696 -0.709 18467 6496 1 9 . 1 1 121 121 ALA CB C 620 23.115 23.115 21.271 1.844 18467 6497 1 9 . 1 1 121 121 ALA H H 620 8.377 8.377 8.604 -0.227 18467 6498 1 9 . 1 1 122 122 THR N N 621 111.104 111.104 113.766 -2.662 18467 6499 1 9 . 1 1 122 122 THR HA H 621 4.051 4.051 4.237 -0.186 18467 6500 1 9 . 1 1 122 122 THR C C 621 176.320 176.320 174.764 1.556 18467 6501 1 9 . 1 1 122 122 THR CA C 621 64.524 64.524 63.436 1.088 18467 6502 1 9 . 1 1 122 122 THR CB C 621 68.391 68.391 68.901 -0.510 18467 6503 1 9 . 1 1 122 122 THR H H 621 9.183 9.183 8.550 0.633 18467 6504 1 9 . 1 1 123 123 ASN N N 622 117.445 117.445 115.371 2.074 18467 6505 1 9 . 1 1 123 123 ASN HA H 622 5.030 5.030 4.877 0.153 18467 6506 1 9 . 1 1 123 123 ASN C C 622 173.263 173.263 174.340 -1.077 18467 6507 1 9 . 1 1 123 123 ASN CA C 622 51.203 51.203 52.033 -0.830 18467 6508 1 9 . 1 1 123 123 ASN CB C 622 37.076 37.076 39.264 -2.188 18467 6509 1 9 . 1 1 123 123 ASN H H 622 7.969 7.969 8.211 -0.242 18467 6510 1 9 . 1 1 124 124 GLY N N 623 102.705 102.705 107.124 -4.419 18467 6511 1 9 . 1 1 124 124 GLY C C 623 169.925 169.925 171.775 -1.850 18467 6512 1 9 . 1 1 124 124 GLY CA C 623 46.709 46.709 45.377 1.332 18467 6513 1 9 . 1 1 124 124 GLY H H 623 6.921 6.921 7.176 -0.255 18467 6514 1 9 . 1 1 125 125 VAL N N 624 119.913 119.913 119.609 0.304 18467 6515 1 9 . 1 1 125 125 VAL HA H 624 4.877 4.877 4.507 0.370 18467 6516 1 9 . 1 1 125 125 VAL C C 624 170.887 170.887 173.145 -2.258 18467 6517 1 9 . 1 1 125 125 VAL CA C 624 58.527 58.527 59.609 -1.082 18467 6518 1 9 . 1 1 125 125 VAL CB C 624 34.967 34.967 35.671 -0.704 18467 6519 1 9 . 1 1 125 125 VAL H H 624 8.485 8.485 8.767 -0.282 18467 6520 1 9 . 1 1 126 126 VAL N N 625 127.599 127.599 126.113 1.486 18467 6521 1 9 . 1 1 126 126 VAL HA H 625 4.619 4.619 4.888 -0.269 18467 6522 1 9 . 1 1 126 126 VAL C C 625 172.882 172.882 174.314 -1.432 18467 6523 1 9 . 1 1 126 126 VAL CA C 625 60.534 60.534 59.914 0.620 18467 6524 1 9 . 1 1 126 126 VAL CB C 625 34.184 34.184 34.725 -0.541 18467 6525 1 9 . 1 1 126 126 VAL H H 625 9.106 9.106 8.747 0.359 18467 6526 1 9 . 1 1 127 127 HIS N N 626 124.292 124.292 123.876 0.416 18467 6527 1 9 . 1 1 127 127 HIS HA H 626 5.494 5.494 5.163 0.331 18467 6528 1 9 . 1 1 127 127 HIS C C 626 175.629 175.629 174.730 0.899 18467 6529 1 9 . 1 1 127 127 HIS CA C 626 53.247 53.247 54.142 -0.894 18467 6530 1 9 . 1 1 127 127 HIS CB C 626 34.369 34.369 33.072 1.297 18467 6531 1 9 . 1 1 127 127 HIS H H 626 8.754 8.754 8.873 -0.119 18467 6532 1 9 . 1 1 128 128 VAL N N 627 124.493 124.493 126.300 -1.807 18467 6533 1 9 . 1 1 128 128 VAL HA H 627 4.512 4.512 4.549 -0.037 18467 6534 1 9 . 1 1 128 128 VAL C C 627 176.349 176.349 175.806 0.543 18467 6535 1 9 . 1 1 128 128 VAL CA C 627 64.730 64.730 63.378 1.352 18467 6536 1 9 . 1 1 128 128 VAL CB C 627 32.980 32.980 31.124 1.856 18467 6537 1 9 . 1 1 128 128 VAL H H 627 8.812 8.812 8.655 0.157 18467 6538 1 9 . 1 1 129 129 ILE N N 628 121.077 121.077 123.413 -2.336 18467 6539 1 9 . 1 1 129 129 ILE HA H 628 5.118 5.118 4.862 0.256 18467 6540 1 9 . 1 1 129 129 ILE C C 628 175.190 175.190 176.624 -1.434 18467 6541 1 9 . 1 1 129 129 ILE CA C 628 60.217 60.217 59.354 0.863 18467 6542 1 9 . 1 1 129 129 ILE CB C 628 42.539 42.539 40.970 1.569 18467 6543 1 9 . 1 1 129 129 ILE H H 628 8.629 8.629 9.191 -0.562 18467 6544 1 9 . 1 1 130 130 THR N N 629 108.406 108.406 111.265 -2.859 18467 6545 1 9 . 1 1 130 130 THR HA H 629 4.671 4.671 4.496 0.175 18467 6546 1 9 . 1 1 130 130 THR C C 629 172.980 172.980 174.123 -1.143 18467 6547 1 9 . 1 1 130 130 THR CA C 629 61.381 61.381 61.582 -0.201 18467 6548 1 9 . 1 1 130 130 THR CB C 629 68.784 68.784 69.706 -0.922 18467 6549 1 9 . 1 1 130 130 THR H H 629 9.368 9.368 8.494 0.874 18467 6550 1 9 . 1 1 131 131 ASN N N 630 117.533 117.533 118.092 -0.559 18467 6551 1 9 . 1 1 131 131 ASN HA H 630 4.754 4.754 4.890 -0.136 18467 6552 1 9 . 1 1 131 131 ASN C C 630 172.493 172.493 173.654 -1.161 18467 6553 1 9 . 1 1 131 131 ASN CA C 630 52.575 52.575 51.992 0.583 18467 6554 1 9 . 1 1 131 131 ASN CB C 630 43.079 43.079 41.275 1.804 18467 6555 1 9 . 1 1 131 131 ASN H H 630 7.355 7.355 7.641 -0.286 18467 6556 1 9 . 1 1 132 132 VAL N N 631 117.886 117.886 120.490 -2.604 18467 6557 1 9 . 1 1 132 132 VAL HA H 631 3.914 3.914 4.381 -0.467 18467 6558 1 9 . 1 1 132 132 VAL C C 631 176.909 176.909 176.327 0.582 18467 6559 1 9 . 1 1 132 132 VAL CA C 631 62.424 62.424 61.441 0.983 18467 6560 1 9 . 1 1 132 132 VAL CB C 631 32.453 32.453 32.588 -0.135 18467 6561 1 9 . 1 1 132 132 VAL H H 631 8.087 8.087 8.487 -0.400 18467 6562 1 9 . 1 1 133 133 LEU N N 632 130.948 130.948 127.286 3.662 18467 6563 1 9 . 1 1 133 133 LEU HA H 632 4.220 4.220 4.573 -0.353 18467 6564 1 9 . 1 1 133 133 LEU CA C 632 55.468 55.468 54.245 1.222 18467 6565 1 9 . 1 1 133 133 LEU H H 632 10.937 10.937 8.017 2.920 18467 6566 1 9 . 1 1 134 134 GLN N N 633 118.157 118.157 118.860 -0.703 18467 6567 1 9 . 1 1 134 134 GLN HA H 633 4.361 4.361 4.490 -0.129 18467 6568 1 9 . 1 1 134 134 GLN CA C 633 55.043 55.043 55.113 -0.070 18467 6569 1 9 . 1 1 134 134 GLN CB C 633 31.449 31.449 32.115 -0.666 18467 6570 1 9 . 1 1 134 134 GLN H H 633 7.992 7.992 8.168 -0.176 18467 6571 1 10 . 1 1 3 3 MET C C 502 175.861 175.861 175.357 0.504 18467 6572 1 10 . 1 1 3 3 MET CA C 502 55.905 55.905 54.857 1.048 18467 6573 1 10 . 1 1 3 3 MET CB C 502 34.158 34.158 31.123 3.035 18467 6574 1 10 . 1 1 4 4 GLY N N 503 111.094 111.094 112.325 -1.231 18467 6575 1 10 . 1 1 4 4 GLY C C 503 173.998 173.998 174.183 -0.185 18467 6576 1 10 . 1 1 4 4 GLY CA C 503 44.482 44.482 43.560 0.922 18467 6577 1 10 . 1 1 4 4 GLY H H 503 8.376 8.376 8.172 0.204 18467 6578 1 10 . 1 1 5 5 THR N N 504 111.539 111.539 112.220 -0.681 18467 6579 1 10 . 1 1 5 5 THR HA H 504 4.440 4.440 4.396 0.044 18467 6580 1 10 . 1 1 5 5 THR C C 504 176.360 176.360 176.675 -0.315 18467 6581 1 10 . 1 1 5 5 THR CA C 504 61.986 61.986 60.827 1.159 18467 6582 1 10 . 1 1 5 5 THR CB C 504 73.034 73.034 71.157 1.877 18467 6583 1 10 . 1 1 5 5 THR H H 504 9.233 9.233 7.902 1.331 18467 6584 1 10 . 1 1 6 6 VAL N N 505 118.212 118.212 117.702 0.510 18467 6585 1 10 . 1 1 6 6 VAL HA H 505 3.250 3.250 3.630 -0.380 18467 6586 1 10 . 1 1 6 6 VAL C C 505 177.264 177.264 177.724 -0.460 18467 6587 1 10 . 1 1 6 6 VAL CA C 505 67.200 67.200 66.201 0.999 18467 6588 1 10 . 1 1 6 6 VAL CB C 505 31.657 31.657 30.642 1.015 18467 6589 1 10 . 1 1 6 6 VAL H H 505 9.918 9.918 9.132 0.786 18467 6590 1 10 . 1 1 7 7 MET N N 506 114.107 114.107 118.775 -4.668 18467 6591 1 10 . 1 1 7 7 MET HA H 506 4.361 4.361 4.161 0.200 18467 6592 1 10 . 1 1 7 7 MET C C 506 178.097 178.097 178.069 0.028 18467 6593 1 10 . 1 1 7 7 MET CA C 506 56.075 56.075 57.920 -1.845 18467 6594 1 10 . 1 1 7 7 MET CB C 506 30.910 30.910 31.198 -0.287 18467 6595 1 10 . 1 1 7 7 MET H H 506 6.975 6.975 7.651 -0.676 18467 6596 1 10 . 1 1 8 8 ASP N N 507 120.374 120.374 120.071 0.303 18467 6597 1 10 . 1 1 8 8 ASP HA H 507 4.255 4.255 4.425 -0.170 18467 6598 1 10 . 1 1 8 8 ASP C C 507 179.824 179.824 178.628 1.196 18467 6599 1 10 . 1 1 8 8 ASP CA C 507 58.088 58.088 57.651 0.437 18467 6600 1 10 . 1 1 8 8 ASP CB C 507 40.526 40.526 41.017 -0.490 18467 6601 1 10 . 1 1 8 8 ASP H H 507 7.430 7.430 7.594 -0.164 18467 6602 1 10 . 1 1 9 9 VAL N N 508 121.326 121.326 119.886 1.440 18467 6603 1 10 . 1 1 9 9 VAL HA H 508 3.567 3.567 3.693 -0.126 18467 6604 1 10 . 1 1 9 9 VAL C C 508 179.115 179.115 177.438 1.677 18467 6605 1 10 . 1 1 9 9 VAL CA C 508 66.131 66.131 66.752 -0.621 18467 6606 1 10 . 1 1 9 9 VAL CB C 508 31.666 31.666 31.773 -0.107 18467 6607 1 10 . 1 1 9 9 VAL H H 508 8.174 8.174 8.237 -0.063 18467 6608 1 10 . 1 1 10 10 LEU N N 509 117.258 117.258 116.745 0.513 18467 6609 1 10 . 1 1 10 10 LEU HA H 509 4.039 4.039 4.422 -0.383 18467 6610 1 10 . 1 1 10 10 LEU C C 509 179.091 179.091 178.742 0.349 18467 6611 1 10 . 1 1 10 10 LEU CA C 509 57.372 57.372 56.791 0.581 18467 6612 1 10 . 1 1 10 10 LEU CB C 509 41.839 41.839 41.586 0.253 18467 6613 1 10 . 1 1 10 10 LEU H H 509 7.896 7.896 7.324 0.572 18467 6614 1 10 . 1 1 11 11 LYS N N 510 114.824 114.824 119.985 -5.161 18467 6615 1 10 . 1 1 11 11 LYS HA H 510 3.959 3.959 4.104 -0.145 18467 6616 1 10 . 1 1 11 11 LYS C C 510 178.021 178.021 178.536 -0.515 18467 6617 1 10 . 1 1 11 11 LYS CA C 510 59.047 59.047 58.941 0.107 18467 6618 1 10 . 1 1 11 11 LYS CB C 510 32.771 32.771 32.440 0.331 18467 6619 1 10 . 1 1 11 11 LYS H H 510 8.377 8.377 8.064 0.313 18467 6620 1 10 . 1 1 12 12 GLY N N 511 104.574 104.574 106.470 -1.896 18467 6621 1 10 . 1 1 12 12 GLY C C 511 172.564 172.564 173.663 -1.099 18467 6622 1 10 . 1 1 12 12 GLY CA C 511 45.442 45.442 44.729 0.713 18467 6623 1 10 . 1 1 12 12 GLY H H 511 7.590 7.590 8.032 -0.442 18467 6624 1 10 . 1 1 13 13 ASP N N 512 120.194 120.194 119.689 0.505 18467 6625 1 10 . 1 1 13 13 ASP HA H 512 4.992 4.992 4.852 0.140 18467 6626 1 10 . 1 1 13 13 ASP CA C 512 52.469 52.469 52.598 -0.129 18467 6627 1 10 . 1 1 13 13 ASP CB C 512 43.985 43.985 43.608 0.377 18467 6628 1 10 . 1 1 13 13 ASP H H 512 7.074 7.074 7.476 -0.402 18467 6629 1 10 . 1 1 14 14 ASN HA H 513 4.447 4.447 4.577 -0.130 18467 6630 1 10 . 1 1 14 14 ASN C C 513 176.709 176.709 177.152 -0.443 18467 6631 1 10 . 1 1 14 14 ASN CA C 513 55.819 55.819 56.106 -0.287 18467 6632 1 10 . 1 1 14 14 ASN CB C 513 38.100 38.100 38.702 -0.602 18467 6633 1 10 . 1 1 15 15 ARG N N 514 118.980 118.980 119.569 -0.589 18467 6634 1 10 . 1 1 15 15 ARG HA H 514 4.139 4.139 4.182 -0.043 18467 6635 1 10 . 1 1 15 15 ARG C C 514 176.109 176.109 177.296 -1.187 18467 6636 1 10 . 1 1 15 15 ARG CA C 514 58.061 58.061 57.970 0.091 18467 6637 1 10 . 1 1 15 15 ARG CB C 514 30.691 30.691 29.776 0.916 18467 6638 1 10 . 1 1 15 15 ARG H H 514 8.573 8.573 8.481 0.092 18467 6639 1 10 . 1 1 16 16 PHE N N 515 113.150 113.150 116.195 -3.045 18467 6640 1 10 . 1 1 16 16 PHE HA H 515 5.793 5.793 5.091 0.702 18467 6641 1 10 . 1 1 16 16 PHE C C 515 176.420 176.420 176.286 0.134 18467 6642 1 10 . 1 1 16 16 PHE CA C 515 55.966 55.966 55.434 0.532 18467 6643 1 10 . 1 1 16 16 PHE CB C 515 38.644 38.644 38.511 0.133 18467 6644 1 10 . 1 1 16 16 PHE H H 515 7.592 7.592 7.670 -0.078 18467 6645 1 10 . 1 1 17 17 SER N N 516 116.649 116.649 117.469 -0.820 18467 6646 1 10 . 1 1 17 17 SER HA H 516 4.062 4.062 4.318 -0.256 18467 6647 1 10 . 1 1 17 17 SER C C 516 178.631 178.631 176.268 2.363 18467 6648 1 10 . 1 1 17 17 SER CA C 516 62.695 62.695 62.037 0.658 18467 6649 1 10 . 1 1 17 17 SER CB C 516 62.147 62.147 63.119 -0.972 18467 6650 1 10 . 1 1 17 17 SER H H 516 7.527 7.527 7.489 0.038 18467 6651 1 10 . 1 1 18 18 MET N N 517 124.591 124.591 119.568 5.023 18467 6652 1 10 . 1 1 18 18 MET HA H 517 4.122 4.122 4.488 -0.366 18467 6653 1 10 . 1 1 18 18 MET C C 517 177.503 177.503 177.587 -0.084 18467 6654 1 10 . 1 1 18 18 MET CA C 517 59.707 59.707 56.602 3.104 18467 6655 1 10 . 1 1 18 18 MET CB C 517 32.304 32.304 32.088 0.216 18467 6656 1 10 . 1 1 18 18 MET H H 517 9.271 9.271 8.313 0.958 18467 6657 1 10 . 1 1 19 19 LEU N N 518 123.039 123.039 120.998 2.041 18467 6658 1 10 . 1 1 19 19 LEU HA H 518 3.893 3.893 4.040 -0.147 18467 6659 1 10 . 1 1 19 19 LEU C C 518 178.414 178.414 178.001 0.413 18467 6660 1 10 . 1 1 19 19 LEU CA C 518 58.118 58.118 58.042 0.076 18467 6661 1 10 . 1 1 19 19 LEU CB C 518 41.221 41.221 41.768 -0.547 18467 6662 1 10 . 1 1 19 19 LEU H H 518 8.587 8.587 8.052 0.535 18467 6663 1 10 . 1 1 20 20 VAL N N 519 118.518 118.518 119.156 -0.638 18467 6664 1 10 . 1 1 20 20 VAL HA H 519 3.322 3.322 3.566 -0.244 18467 6665 1 10 . 1 1 20 20 VAL C C 519 178.032 178.032 177.911 0.121 18467 6666 1 10 . 1 1 20 20 VAL CA C 519 67.874 67.874 67.271 0.603 18467 6667 1 10 . 1 1 20 20 VAL CB C 519 31.600 31.600 30.824 0.776 18467 6668 1 10 . 1 1 20 20 VAL H H 519 9.070 9.070 8.141 0.929 18467 6669 1 10 . 1 1 21 21 ALA N N 520 122.534 122.534 120.654 1.880 18467 6670 1 10 . 1 1 21 21 ALA HA H 520 4.165 4.165 4.002 0.163 18467 6671 1 10 . 1 1 21 21 ALA C C 520 180.604 180.604 179.349 1.255 18467 6672 1 10 . 1 1 21 21 ALA CA C 520 55.125 55.125 54.981 0.144 18467 6673 1 10 . 1 1 21 21 ALA CB C 520 17.702 17.702 17.846 -0.144 18467 6674 1 10 . 1 1 21 21 ALA H H 520 7.594 7.594 7.597 -0.003 18467 6675 1 10 . 1 1 22 22 ALA N N 521 123.185 123.185 122.361 0.824 18467 6676 1 10 . 1 1 22 22 ALA HA H 521 3.945 3.945 3.932 0.013 18467 6677 1 10 . 1 1 22 22 ALA C C 521 178.468 178.468 179.432 -0.964 18467 6678 1 10 . 1 1 22 22 ALA CA C 521 54.905 54.905 54.754 0.151 18467 6679 1 10 . 1 1 22 22 ALA CB C 521 17.956 17.956 18.445 -0.489 18467 6680 1 10 . 1 1 22 22 ALA H H 521 8.549 8.549 7.605 0.944 18467 6681 1 10 . 1 1 23 23 ILE N N 522 120.269 120.269 118.944 1.325 18467 6682 1 10 . 1 1 23 23 ILE HA H 522 3.275 3.275 3.505 -0.230 18467 6683 1 10 . 1 1 23 23 ILE C C 522 178.024 178.024 177.848 0.176 18467 6684 1 10 . 1 1 23 23 ILE CA C 522 66.015 66.015 65.123 0.892 18467 6685 1 10 . 1 1 23 23 ILE CB C 522 38.407 38.407 37.397 1.010 18467 6686 1 10 . 1 1 23 23 ILE H H 522 8.963 8.963 8.464 0.499 18467 6687 1 10 . 1 1 24 24 GLN N N 523 118.677 118.677 120.369 -1.692 18467 6688 1 10 . 1 1 24 24 GLN HA H 523 4.169 4.169 3.993 0.176 18467 6689 1 10 . 1 1 24 24 GLN C C 523 180.200 180.200 179.225 0.975 18467 6690 1 10 . 1 1 24 24 GLN CA C 523 58.567 58.567 58.952 -0.385 18467 6691 1 10 . 1 1 24 24 GLN CB C 523 27.611 27.611 28.428 -0.817 18467 6692 1 10 . 1 1 24 24 GLN H H 523 7.976 7.976 8.432 -0.456 18467 6693 1 10 . 1 1 25 25 SER N N 524 117.810 117.810 116.131 1.679 18467 6694 1 10 . 1 1 25 25 SER C C 524 175.679 175.679 175.980 -0.301 18467 6695 1 10 . 1 1 25 25 SER CA C 524 62.046 62.046 61.296 0.750 18467 6696 1 10 . 1 1 25 25 SER CB C 524 63.015 63.015 62.870 0.145 18467 6697 1 10 . 1 1 25 25 SER H H 524 8.311 8.311 8.217 0.094 18467 6698 1 10 . 1 1 26 26 ALA N N 525 119.017 119.017 120.121 -1.104 18467 6699 1 10 . 1 1 26 26 ALA HA H 525 4.307 4.307 4.235 0.072 18467 6700 1 10 . 1 1 26 26 ALA C C 525 176.838 176.838 178.145 -1.307 18467 6701 1 10 . 1 1 26 26 ALA CA C 525 52.205 52.205 52.486 -0.281 18467 6702 1 10 . 1 1 26 26 ALA CB C 525 19.912 19.912 18.947 0.965 18467 6703 1 10 . 1 1 26 26 ALA H H 525 8.322 8.322 7.502 0.820 18467 6704 1 10 . 1 1 27 27 GLY N N 526 105.650 105.650 106.324 -0.674 18467 6705 1 10 . 1 1 27 27 GLY C C 526 176.606 176.606 175.464 1.142 18467 6706 1 10 . 1 1 27 27 GLY CA C 526 46.361 46.361 45.971 0.390 18467 6707 1 10 . 1 1 27 27 GLY H H 526 7.749 7.749 7.943 -0.194 18467 6708 1 10 . 1 1 28 28 LEU N N 527 118.441 118.441 113.693 4.748 18467 6709 1 10 . 1 1 28 28 LEU HA H 527 4.452 4.452 4.797 -0.345 18467 6710 1 10 . 1 1 28 28 LEU C C 527 175.786 175.786 178.015 -2.229 18467 6711 1 10 . 1 1 28 28 LEU CA C 527 54.774 54.774 53.873 0.901 18467 6712 1 10 . 1 1 28 28 LEU CB C 527 45.162 45.162 40.548 4.614 18467 6713 1 10 . 1 1 28 28 LEU H H 527 8.100 8.100 7.286 0.814 18467 6714 1 10 . 1 1 29 29 THR N N 528 117.975 117.975 118.820 -0.845 18467 6715 1 10 . 1 1 29 29 THR HA H 528 3.539 3.539 3.867 -0.328 18467 6716 1 10 . 1 1 29 29 THR C C 528 175.468 175.468 176.125 -0.657 18467 6717 1 10 . 1 1 29 29 THR CA C 528 66.819 66.819 67.211 -0.392 18467 6718 1 10 . 1 1 29 29 THR CB C 528 68.696 68.696 68.158 0.538 18467 6719 1 10 . 1 1 29 29 THR H H 528 7.584 7.584 8.283 -0.699 18467 6720 1 10 . 1 1 30 30 GLU N N 529 117.727 117.727 119.416 -1.689 18467 6721 1 10 . 1 1 30 30 GLU HA H 529 3.986 3.986 4.116 -0.130 18467 6722 1 10 . 1 1 30 30 GLU C C 529 179.348 179.348 178.620 0.728 18467 6723 1 10 . 1 1 30 30 GLU CA C 529 59.738 59.738 59.438 0.300 18467 6724 1 10 . 1 1 30 30 GLU CB C 529 28.596 28.596 28.613 -0.017 18467 6725 1 10 . 1 1 30 30 GLU H H 529 8.304 8.304 8.788 -0.484 18467 6726 1 10 . 1 1 31 31 THR N N 530 116.063 116.063 115.718 0.345 18467 6727 1 10 . 1 1 31 31 THR HA H 530 3.758 3.758 4.111 -0.353 18467 6728 1 10 . 1 1 31 31 THR C C 530 175.858 175.858 176.136 -0.278 18467 6729 1 10 . 1 1 31 31 THR CA C 530 67.207 67.207 66.191 1.016 18467 6730 1 10 . 1 1 31 31 THR CB C 530 69.145 69.145 68.855 0.290 18467 6731 1 10 . 1 1 31 31 THR H H 530 7.698 7.698 7.954 -0.256 18467 6732 1 10 . 1 1 32 32 LEU N N 531 116.755 116.755 120.996 -4.241 18467 6733 1 10 . 1 1 32 32 LEU HA H 531 3.921 3.921 3.860 0.061 18467 6734 1 10 . 1 1 32 32 LEU C C 531 176.163 176.163 178.228 -2.065 18467 6735 1 10 . 1 1 32 32 LEU CA C 531 55.681 55.681 56.359 -0.678 18467 6736 1 10 . 1 1 32 32 LEU CB C 531 41.417 41.417 41.177 0.240 18467 6737 1 10 . 1 1 32 32 LEU H H 531 7.108 7.108 7.396 -0.288 18467 6738 1 10 . 1 1 33 33 ASN N N 532 118.731 118.731 117.690 1.041 18467 6739 1 10 . 1 1 33 33 ASN HA H 532 4.973 4.973 4.559 0.414 18467 6740 1 10 . 1 1 33 33 ASN C C 532 174.820 174.820 175.300 -0.480 18467 6741 1 10 . 1 1 33 33 ASN CA C 532 52.139 52.139 54.020 -1.881 18467 6742 1 10 . 1 1 33 33 ASN CB C 532 40.952 40.952 39.049 1.903 18467 6743 1 10 . 1 1 33 33 ASN H H 532 7.751 7.751 8.301 -0.550 18467 6744 1 10 . 1 1 34 34 ARG N N 533 119.562 119.562 119.994 -0.432 18467 6745 1 10 . 1 1 34 34 ARG HA H 533 4.531 4.531 4.345 0.186 18467 6746 1 10 . 1 1 34 34 ARG C C 533 175.355 175.355 175.368 -0.013 18467 6747 1 10 . 1 1 34 34 ARG CA C 533 55.591 55.591 56.181 -0.590 18467 6748 1 10 . 1 1 34 34 ARG CB C 533 32.007 32.007 30.938 1.069 18467 6749 1 10 . 1 1 34 34 ARG H H 533 7.296 7.296 7.206 0.090 18467 6750 1 10 . 1 1 35 35 GLU N N 534 120.049 120.049 122.492 -2.443 18467 6751 1 10 . 1 1 35 35 GLU HA H 534 4.238 4.238 4.274 -0.036 18467 6752 1 10 . 1 1 35 35 GLU C C 534 176.281 176.281 176.145 0.136 18467 6753 1 10 . 1 1 35 35 GLU CA C 534 57.698 57.698 56.678 1.020 18467 6754 1 10 . 1 1 35 35 GLU CB C 534 29.807 29.807 30.018 -0.211 18467 6755 1 10 . 1 1 35 35 GLU H H 534 8.508 8.508 8.480 0.028 18467 6756 1 10 . 1 1 36 36 GLY N N 535 110.987 110.987 112.632 -1.645 18467 6757 1 10 . 1 1 36 36 GLY C C 535 170.566 170.566 172.281 -1.715 18467 6758 1 10 . 1 1 36 36 GLY CA C 535 44.853 44.853 45.267 -0.414 18467 6759 1 10 . 1 1 36 36 GLY H H 535 7.949 7.949 8.619 -0.670 18467 6760 1 10 . 1 1 37 37 VAL N N 536 114.744 114.744 117.990 -3.246 18467 6761 1 10 . 1 1 37 37 VAL HA H 536 4.126 4.126 4.663 -0.537 18467 6762 1 10 . 1 1 37 37 VAL C C 536 173.026 173.026 173.642 -0.616 18467 6763 1 10 . 1 1 37 37 VAL CA C 536 59.318 59.318 60.222 -0.904 18467 6764 1 10 . 1 1 37 37 VAL CB C 536 33.633 33.633 34.264 -0.631 18467 6765 1 10 . 1 1 37 37 VAL H H 536 7.189 7.189 7.681 -0.492 18467 6766 1 10 . 1 1 38 38 TYR N N 537 117.326 117.326 123.742 -6.416 18467 6767 1 10 . 1 1 38 38 TYR HA H 537 5.187 5.187 4.978 0.209 18467 6768 1 10 . 1 1 38 38 TYR C C 537 176.236 176.236 174.840 1.396 18467 6769 1 10 . 1 1 38 38 TYR CA C 537 56.755 56.755 56.999 -0.244 18467 6770 1 10 . 1 1 38 38 TYR CB C 537 42.471 42.471 42.897 -0.426 18467 6771 1 10 . 1 1 38 38 TYR H H 537 7.491 7.491 8.108 -0.617 18467 6772 1 10 . 1 1 39 39 THR N N 538 117.089 117.089 120.010 -2.921 18467 6773 1 10 . 1 1 39 39 THR HA H 538 4.789 4.789 4.980 -0.191 18467 6774 1 10 . 1 1 39 39 THR C C 538 173.433 173.433 173.459 -0.026 18467 6775 1 10 . 1 1 39 39 THR CA C 538 62.170 62.170 62.032 0.138 18467 6776 1 10 . 1 1 39 39 THR CB C 538 70.774 70.774 69.614 1.160 18467 6777 1 10 . 1 1 39 39 THR H H 538 7.902 7.902 8.507 -0.605 18467 6778 1 10 . 1 1 40 40 VAL N N 539 126.906 126.906 128.790 -1.884 18467 6779 1 10 . 1 1 40 40 VAL HA H 539 4.523 4.523 5.133 -0.610 18467 6780 1 10 . 1 1 40 40 VAL C C 539 173.960 173.960 174.736 -0.776 18467 6781 1 10 . 1 1 40 40 VAL CA C 539 61.184 61.184 60.895 0.289 18467 6782 1 10 . 1 1 40 40 VAL CB C 539 33.968 33.968 32.909 1.059 18467 6783 1 10 . 1 1 40 40 VAL H H 539 9.183 9.183 8.937 0.246 18467 6784 1 10 . 1 1 41 41 PHE N N 540 128.634 128.634 128.840 -0.206 18467 6785 1 10 . 1 1 41 41 PHE HA H 540 5.332 5.332 4.878 0.454 18467 6786 1 10 . 1 1 41 41 PHE C C 540 173.378 173.378 175.395 -2.017 18467 6787 1 10 . 1 1 41 41 PHE CA C 540 57.718 57.718 57.510 0.208 18467 6788 1 10 . 1 1 41 41 PHE CB C 540 38.255 38.255 39.106 -0.851 18467 6789 1 10 . 1 1 41 41 PHE H H 540 9.084 9.084 8.302 0.782 18467 6790 1 10 . 1 1 42 42 ALA N N 541 125.989 125.989 129.673 -3.684 18467 6791 1 10 . 1 1 42 42 ALA HA H 541 4.499 4.499 4.857 -0.358 18467 6792 1 10 . 1 1 42 42 ALA CA C 541 49.035 49.035 48.846 0.189 18467 6793 1 10 . 1 1 42 42 ALA CB C 541 22.804 22.804 19.617 3.187 18467 6794 1 10 . 1 1 42 42 ALA H H 541 8.572 8.572 8.968 -0.396 18467 6795 1 10 . 1 1 43 43 PRO HA H 542 5.030 5.030 5.555 -0.525 18467 6796 1 10 . 1 1 43 43 PRO C C 542 177.796 177.796 177.393 0.403 18467 6797 1 10 . 1 1 43 43 PRO CA C 542 60.823 60.823 61.908 -1.085 18467 6798 1 10 . 1 1 43 43 PRO CB C 542 31.462 31.462 33.039 -1.577 18467 6799 1 10 . 1 1 44 44 THR N N 543 111.786 111.786 113.979 -2.193 18467 6800 1 10 . 1 1 44 44 THR HA H 543 4.423 4.423 4.578 -0.155 18467 6801 1 10 . 1 1 44 44 THR C C 543 176.323 176.323 175.665 0.658 18467 6802 1 10 . 1 1 44 44 THR CA C 543 60.816 60.816 59.528 1.288 18467 6803 1 10 . 1 1 44 44 THR CB C 543 71.498 71.498 70.305 1.193 18467 6804 1 10 . 1 1 44 44 THR H H 543 7.739 7.739 8.081 -0.342 18467 6805 1 10 . 1 1 45 45 ASN N N 544 118.432 118.432 118.427 0.005 18467 6806 1 10 . 1 1 45 45 ASN HA H 544 4.621 4.621 4.423 0.198 18467 6807 1 10 . 1 1 45 45 ASN C C 544 177.738 177.738 177.272 0.466 18467 6808 1 10 . 1 1 45 45 ASN CA C 544 56.092 56.092 56.674 -0.582 18467 6809 1 10 . 1 1 45 45 ASN CB C 544 37.329 37.329 38.440 -1.111 18467 6810 1 10 . 1 1 45 45 ASN H H 544 8.679 8.679 8.432 0.247 18467 6811 1 10 . 1 1 46 46 GLU N N 545 117.774 117.774 119.222 -1.448 18467 6812 1 10 . 1 1 46 46 GLU HA H 545 3.800 3.800 4.018 -0.218 18467 6813 1 10 . 1 1 46 46 GLU C C 545 178.277 178.277 177.554 0.723 18467 6814 1 10 . 1 1 46 46 GLU CA C 545 60.129 60.129 58.821 1.308 18467 6815 1 10 . 1 1 46 46 GLU CB C 545 29.254 29.254 29.227 0.027 18467 6816 1 10 . 1 1 46 46 GLU H H 545 8.213 8.213 7.986 0.227 18467 6817 1 10 . 1 1 47 47 ALA N N 546 121.430 121.430 120.958 0.472 18467 6818 1 10 . 1 1 47 47 ALA HA H 546 3.965 3.965 4.171 -0.206 18467 6819 1 10 . 1 1 47 47 ALA C C 546 180.270 180.270 180.192 0.078 18467 6820 1 10 . 1 1 47 47 ALA CA C 546 54.894 54.894 54.465 0.429 18467 6821 1 10 . 1 1 47 47 ALA CB C 546 19.469 19.469 18.269 1.200 18467 6822 1 10 . 1 1 47 47 ALA H H 546 7.344 7.344 7.112 0.232 18467 6823 1 10 . 1 1 48 48 PHE N N 547 115.617 115.617 115.902 -0.285 18467 6824 1 10 . 1 1 48 48 PHE HA H 547 3.923 3.923 4.011 -0.088 18467 6825 1 10 . 1 1 48 48 PHE C C 547 178.849 178.849 175.849 3.000 18467 6826 1 10 . 1 1 48 48 PHE CA C 547 61.460 61.460 59.122 2.338 18467 6827 1 10 . 1 1 48 48 PHE CB C 547 38.400 38.400 37.668 0.732 18467 6828 1 10 . 1 1 48 48 PHE H H 547 7.128 7.128 7.062 0.066 18467 6829 1 10 . 1 1 49 49 ARG N N 548 118.721 118.721 117.463 1.258 18467 6830 1 10 . 1 1 49 49 ARG C C 548 175.961 175.961 176.604 -0.643 18467 6831 1 10 . 1 1 49 49 ARG CA C 548 58.359 58.359 56.542 1.817 18467 6832 1 10 . 1 1 49 49 ARG CB C 548 30.082 30.082 30.891 -0.809 18467 6833 1 10 . 1 1 49 49 ARG H H 548 8.233 8.233 7.430 0.803 18467 6834 1 10 . 1 1 50 50 ALA N N 549 118.911 118.911 121.552 -2.641 18467 6835 1 10 . 1 1 50 50 ALA HA H 549 4.309 4.309 4.270 0.039 18467 6836 1 10 . 1 1 50 50 ALA C C 549 178.758 178.758 177.642 1.116 18467 6837 1 10 . 1 1 50 50 ALA CA C 549 52.405 52.405 52.932 -0.527 18467 6838 1 10 . 1 1 50 50 ALA CB C 549 18.856 18.856 19.330 -0.474 18467 6839 1 10 . 1 1 50 50 ALA H H 549 7.166 7.166 7.420 -0.254 18467 6840 1 10 . 1 1 51 51 LEU N N 550 119.543 119.543 120.668 -1.125 18467 6841 1 10 . 1 1 51 51 LEU HA H 550 4.541 4.541 4.690 -0.149 18467 6842 1 10 . 1 1 51 51 LEU CA C 550 53.504 53.504 52.006 1.498 18467 6843 1 10 . 1 1 51 51 LEU CB C 550 41.195 41.195 42.575 -1.381 18467 6844 1 10 . 1 1 51 51 LEU H H 550 7.130 7.130 7.509 -0.379 18467 6845 1 10 . 1 1 52 52 PRO HA H 551 4.780 4.780 4.720 0.060 18467 6846 1 10 . 1 1 52 52 PRO CA C 551 61.356 61.356 61.819 -0.463 18467 6847 1 10 . 1 1 52 52 PRO CB C 551 31.589 31.589 31.551 0.038 18467 6848 1 10 . 1 1 53 53 PRO HA H 552 4.415 4.415 4.238 0.177 18467 6849 1 10 . 1 1 53 53 PRO CA C 552 65.934 65.934 65.545 0.389 18467 6850 1 10 . 1 1 53 53 PRO CB C 552 32.117 32.117 31.907 0.210 18467 6851 1 10 . 1 1 54 54 ARG C C 553 178.861 178.861 178.654 0.207 18467 6852 1 10 . 1 1 54 54 ARG CA C 553 59.040 59.040 59.503 -0.463 18467 6853 1 10 . 1 1 54 54 ARG CB C 553 29.650 29.650 29.890 -0.240 18467 6854 1 10 . 1 1 55 55 GLU N N 554 120.619 120.619 119.333 1.286 18467 6855 1 10 . 1 1 55 55 GLU HA H 554 4.569 4.569 4.294 0.275 18467 6856 1 10 . 1 1 55 55 GLU CA C 554 57.913 57.913 58.661 -0.748 18467 6857 1 10 . 1 1 55 55 GLU CB C 554 29.799 29.799 29.758 0.041 18467 6858 1 10 . 1 1 55 55 GLU H H 554 7.713 7.713 8.057 -0.344 18467 6859 1 10 . 1 1 56 56 TRP N N 555 120.789 120.789 122.699 -1.910 18467 6860 1 10 . 1 1 56 56 TRP HA H 555 4.790 4.790 4.492 0.298 18467 6861 1 10 . 1 1 56 56 TRP C C 555 176.837 176.837 178.328 -1.491 18467 6862 1 10 . 1 1 56 56 TRP CA C 555 59.458 59.458 61.635 -2.177 18467 6863 1 10 . 1 1 56 56 TRP CB C 555 30.606 30.606 29.665 0.941 18467 6864 1 10 . 1 1 56 56 TRP H H 555 8.151 8.151 8.171 -0.020 18467 6865 1 10 . 1 1 57 57 SER N N 556 110.579 110.579 113.367 -2.788 18467 6866 1 10 . 1 1 57 57 SER HA H 556 4.169 4.169 4.177 -0.008 18467 6867 1 10 . 1 1 57 57 SER C C 556 177.169 177.169 176.386 0.783 18467 6868 1 10 . 1 1 57 57 SER CA C 556 61.964 61.964 61.205 0.759 18467 6869 1 10 . 1 1 57 57 SER H H 556 8.263 8.263 8.481 -0.218 18467 6870 1 10 . 1 1 58 58 ARG N N 557 122.546 122.546 119.234 3.312 18467 6871 1 10 . 1 1 58 58 ARG CA C 557 59.314 59.314 58.197 1.117 18467 6872 1 10 . 1 1 58 58 ARG CB C 557 30.188 30.188 30.244 -0.056 18467 6873 1 10 . 1 1 58 58 ARG H H 557 7.594 7.594 7.503 0.091 18467 6874 1 10 . 1 1 59 59 LEU N N 558 120.695 120.695 121.262 -0.567 18467 6875 1 10 . 1 1 59 59 LEU HA H 558 3.902 3.902 3.905 -0.003 18467 6876 1 10 . 1 1 59 59 LEU C C 558 178.293 178.293 179.120 -0.827 18467 6877 1 10 . 1 1 59 59 LEU CA C 558 57.989 57.989 57.225 0.764 18467 6878 1 10 . 1 1 59 59 LEU CB C 558 41.974 41.974 41.430 0.544 18467 6879 1 10 . 1 1 59 59 LEU H H 558 8.143 8.143 7.572 0.571 18467 6880 1 10 . 1 1 60 60 LEU N N 559 115.713 115.713 116.374 -0.661 18467 6881 1 10 . 1 1 60 60 LEU HA H 559 3.643 3.643 4.061 -0.418 18467 6882 1 10 . 1 1 60 60 LEU C C 559 178.818 178.818 178.911 -0.093 18467 6883 1 10 . 1 1 60 60 LEU CA C 559 56.773 56.773 56.879 -0.106 18467 6884 1 10 . 1 1 60 60 LEU CB C 559 41.434 41.434 41.217 0.217 18467 6885 1 10 . 1 1 60 60 LEU H H 559 7.725 7.725 7.447 0.278 18467 6886 1 10 . 1 1 61 61 GLY N N 560 103.312 103.312 106.353 -3.041 18467 6887 1 10 . 1 1 61 61 GLY C C 560 173.364 173.364 173.898 -0.534 18467 6888 1 10 . 1 1 61 61 GLY CA C 560 45.029 45.029 45.048 -0.019 18467 6889 1 10 . 1 1 61 61 GLY H H 560 7.311 7.311 7.747 -0.436 18467 6890 1 10 . 1 1 62 62 ASP N N 561 122.455 122.455 120.459 1.996 18467 6891 1 10 . 1 1 62 62 ASP HA H 561 4.847 4.847 4.830 0.017 18467 6892 1 10 . 1 1 62 62 ASP C C 561 173.909 173.909 175.579 -1.670 18467 6893 1 10 . 1 1 62 62 ASP CA C 561 52.302 52.302 52.648 -0.346 18467 6894 1 10 . 1 1 62 62 ASP CB C 561 41.362 41.362 43.592 -2.230 18467 6895 1 10 . 1 1 62 62 ASP H H 561 7.532 7.532 7.987 -0.455 18467 6896 1 10 . 1 1 63 63 ALA N N 562 125.643 125.643 128.215 -2.572 18467 6897 1 10 . 1 1 63 63 ALA HA H 562 4.019 4.019 4.124 -0.105 18467 6898 1 10 . 1 1 63 63 ALA C C 562 180.109 180.109 178.890 1.219 18467 6899 1 10 . 1 1 63 63 ALA CA C 562 55.660 55.660 54.874 0.786 18467 6900 1 10 . 1 1 63 63 ALA CB C 562 18.980 18.980 19.136 -0.156 18467 6901 1 10 . 1 1 63 63 ALA H H 562 8.372 8.372 8.776 -0.404 18467 6902 1 10 . 1 1 64 64 LYS N N 563 117.354 117.354 118.689 -1.335 18467 6903 1 10 . 1 1 64 64 LYS HA H 563 4.116 4.116 4.029 0.087 18467 6904 1 10 . 1 1 64 64 LYS C C 563 179.293 179.293 179.031 0.262 18467 6905 1 10 . 1 1 64 64 LYS CA C 563 59.459 59.459 59.586 -0.127 18467 6906 1 10 . 1 1 64 64 LYS CB C 563 32.165 32.165 32.046 0.119 18467 6907 1 10 . 1 1 64 64 LYS H H 563 8.111 8.111 7.987 0.124 18467 6908 1 10 . 1 1 65 65 GLU N N 564 120.953 120.953 120.337 0.616 18467 6909 1 10 . 1 1 65 65 GLU HA H 564 4.207 4.207 4.025 0.182 18467 6910 1 10 . 1 1 65 65 GLU C C 564 179.679 179.679 178.991 0.688 18467 6911 1 10 . 1 1 65 65 GLU CA C 564 58.683 58.683 59.118 -0.436 18467 6912 1 10 . 1 1 65 65 GLU CB C 564 29.403 29.403 29.600 -0.197 18467 6913 1 10 . 1 1 65 65 GLU H H 564 7.725 7.725 7.972 -0.247 18467 6914 1 10 . 1 1 66 66 LEU N N 565 120.534 120.534 120.481 0.053 18467 6915 1 10 . 1 1 66 66 LEU HA H 565 4.117 4.117 3.911 0.206 18467 6916 1 10 . 1 1 66 66 LEU C C 565 178.692 178.692 177.951 0.741 18467 6917 1 10 . 1 1 66 66 LEU CA C 565 57.883 57.883 57.389 0.494 18467 6918 1 10 . 1 1 66 66 LEU CB C 565 40.916 40.916 41.969 -1.053 18467 6919 1 10 . 1 1 66 66 LEU H H 565 8.668 8.668 7.638 1.030 18467 6920 1 10 . 1 1 67 67 ALA N N 566 119.170 119.170 121.135 -1.965 18467 6921 1 10 . 1 1 67 67 ALA HA H 566 3.904 3.904 3.824 0.080 18467 6922 1 10 . 1 1 67 67 ALA C C 566 179.042 179.042 179.275 -0.233 18467 6923 1 10 . 1 1 67 67 ALA CA C 566 55.916 55.916 55.278 0.638 18467 6924 1 10 . 1 1 67 67 ALA CB C 566 17.972 17.972 17.875 0.097 18467 6925 1 10 . 1 1 67 67 ALA H H 566 8.474 8.474 8.402 0.072 18467 6926 1 10 . 1 1 68 68 ASN N N 567 115.725 115.725 117.534 -1.809 18467 6927 1 10 . 1 1 68 68 ASN HA H 567 4.479 4.479 4.450 0.029 18467 6928 1 10 . 1 1 68 68 ASN CA C 567 57.014 57.014 56.594 0.420 18467 6929 1 10 . 1 1 68 68 ASN CB C 567 38.597 38.597 38.350 0.247 18467 6930 1 10 . 1 1 68 68 ASN H H 567 7.555 7.555 8.026 -0.471 18467 6931 1 10 . 1 1 69 69 ILE N N 568 118.231 118.231 120.094 -1.863 18467 6932 1 10 . 1 1 69 69 ILE HA H 568 4.125 4.125 3.895 0.230 18467 6933 1 10 . 1 1 69 69 ILE C C 568 179.766 179.766 178.643 1.123 18467 6934 1 10 . 1 1 69 69 ILE CA C 568 64.168 64.168 64.289 -0.121 18467 6935 1 10 . 1 1 69 69 ILE CB C 568 38.547 38.547 38.117 0.430 18467 6936 1 10 . 1 1 69 69 ILE H H 568 7.832 7.832 7.293 0.539 18467 6937 1 10 . 1 1 70 70 LEU N N 569 120.962 120.962 121.138 -0.176 18467 6938 1 10 . 1 1 70 70 LEU HA H 569 4.114 4.114 3.915 0.199 18467 6939 1 10 . 1 1 70 70 LEU C C 569 179.633 179.633 179.415 0.218 18467 6940 1 10 . 1 1 70 70 LEU CA C 569 58.463 58.463 57.827 0.636 18467 6941 1 10 . 1 1 70 70 LEU CB C 569 42.056 42.056 40.606 1.450 18467 6942 1 10 . 1 1 70 70 LEU H H 569 8.705 8.705 8.516 0.189 18467 6943 1 10 . 1 1 71 71 LYS N N 570 116.318 116.318 118.549 -2.231 18467 6944 1 10 . 1 1 71 71 LYS HA H 570 3.933 3.933 4.049 -0.116 18467 6945 1 10 . 1 1 71 71 LYS C C 570 177.691 177.691 178.433 -0.742 18467 6946 1 10 . 1 1 71 71 LYS CA C 570 60.750 60.750 59.380 1.370 18467 6947 1 10 . 1 1 71 71 LYS CB C 570 32.439 32.439 32.409 0.030 18467 6948 1 10 . 1 1 71 71 LYS H H 570 8.889 8.889 8.051 0.838 18467 6949 1 10 . 1 1 72 72 TYR N N 571 119.628 119.628 117.696 1.932 18467 6950 1 10 . 1 1 72 72 TYR HA H 571 4.596 4.596 4.468 0.128 18467 6951 1 10 . 1 1 72 72 TYR C C 571 171.958 171.958 176.099 -4.141 18467 6952 1 10 . 1 1 72 72 TYR CA C 571 59.022 59.022 59.707 -0.685 18467 6953 1 10 . 1 1 72 72 TYR CB C 571 38.970 38.970 38.626 0.344 18467 6954 1 10 . 1 1 72 72 TYR H H 571 7.557 7.557 7.956 -0.399 18467 6955 1 10 . 1 1 73 73 HIS N N 572 108.692 108.692 116.149 -7.457 18467 6956 1 10 . 1 1 73 73 HIS HA H 572 4.206 4.206 4.467 -0.261 18467 6957 1 10 . 1 1 73 73 HIS C C 572 173.668 173.668 174.367 -0.699 18467 6958 1 10 . 1 1 73 73 HIS CA C 572 58.880 58.880 58.024 0.856 18467 6959 1 10 . 1 1 73 73 HIS CB C 572 28.164 28.164 29.950 -1.786 18467 6960 1 10 . 1 1 73 73 HIS H H 572 7.583 7.583 7.696 -0.113 18467 6961 1 10 . 1 1 74 74 ILE N N 573 117.585 117.585 119.546 -1.961 18467 6962 1 10 . 1 1 74 74 ILE HA H 573 5.236 5.236 4.700 0.536 18467 6963 1 10 . 1 1 74 74 ILE C C 573 175.634 175.634 174.965 0.669 18467 6964 1 10 . 1 1 74 74 ILE CA C 573 59.501 59.501 60.178 -0.677 18467 6965 1 10 . 1 1 74 74 ILE CB C 573 40.955 40.955 39.962 0.993 18467 6966 1 10 . 1 1 74 74 ILE H H 573 7.283 7.283 7.206 0.077 18467 6967 1 10 . 1 1 75 75 GLY N N 574 111.783 111.783 112.648 -0.865 18467 6968 1 10 . 1 1 75 75 GLY C C 574 173.914 173.914 175.856 -1.942 18467 6969 1 10 . 1 1 75 75 GLY CA C 574 43.960 43.960 43.697 0.263 18467 6970 1 10 . 1 1 75 75 GLY H H 574 10.218 10.218 8.950 1.268 18467 6971 1 10 . 1 1 76 76 ASP N N 575 120.537 120.537 120.839 -0.302 18467 6972 1 10 . 1 1 76 76 ASP HA H 575 4.759 4.759 4.395 0.364 18467 6973 1 10 . 1 1 76 76 ASP C C 575 174.756 174.756 175.804 -1.048 18467 6974 1 10 . 1 1 76 76 ASP CA C 575 53.707 53.707 57.170 -3.463 18467 6975 1 10 . 1 1 76 76 ASP CB C 575 41.029 41.029 41.216 -0.187 18467 6976 1 10 . 1 1 76 76 ASP H H 575 8.361 8.361 8.551 -0.190 18467 6977 1 10 . 1 1 77 77 GLU N N 576 114.270 114.270 114.341 -0.071 18467 6978 1 10 . 1 1 77 77 GLU HA H 576 4.472 4.472 4.487 -0.015 18467 6979 1 10 . 1 1 77 77 GLU CA C 576 54.500 54.500 54.501 -0.001 18467 6980 1 10 . 1 1 77 77 GLU CB C 576 33.422 33.422 31.941 1.481 18467 6981 1 10 . 1 1 77 77 GLU H H 576 7.266 7.266 7.811 -0.545 18467 6982 1 10 . 1 1 78 78 ILE N N 577 120.961 120.961 120.898 0.063 18467 6983 1 10 . 1 1 78 78 ILE HA H 577 3.570 3.570 4.415 -0.845 18467 6984 1 10 . 1 1 78 78 ILE C C 577 174.815 174.815 175.667 -0.852 18467 6985 1 10 . 1 1 78 78 ILE CA C 577 62.347 62.347 61.733 0.614 18467 6986 1 10 . 1 1 78 78 ILE CB C 577 38.390 38.390 38.055 0.335 18467 6987 1 10 . 1 1 78 78 ILE H H 577 8.514 8.514 8.537 -0.023 18467 6988 1 10 . 1 1 79 79 LEU N N 578 132.660 132.660 131.450 1.210 18467 6989 1 10 . 1 1 79 79 LEU HA H 578 4.779 4.779 4.677 0.102 18467 6990 1 10 . 1 1 79 79 LEU C C 578 174.161 174.161 175.478 -1.317 18467 6991 1 10 . 1 1 79 79 LEU CA C 578 53.881 53.881 53.299 0.582 18467 6992 1 10 . 1 1 79 79 LEU CB C 578 44.088 44.088 42.998 1.090 18467 6993 1 10 . 1 1 79 79 LEU H H 578 7.973 7.973 8.941 -0.968 18467 6994 1 10 . 1 1 80 80 VAL N N 579 118.506 118.506 119.844 -1.338 18467 6995 1 10 . 1 1 80 80 VAL HA H 579 4.767 4.767 4.386 0.381 18467 6996 1 10 . 1 1 80 80 VAL C C 579 178.415 178.415 177.056 1.359 18467 6997 1 10 . 1 1 80 80 VAL CA C 579 59.505 59.505 61.028 -1.523 18467 6998 1 10 . 1 1 80 80 VAL CB C 579 33.491 33.491 32.704 0.787 18467 6999 1 10 . 1 1 80 80 VAL H H 579 7.968 7.968 8.004 -0.036 18467 7000 1 10 . 1 1 81 81 SER N N 580 121.910 121.910 117.437 4.473 18467 7001 1 10 . 1 1 81 81 SER HA H 580 3.828 3.828 4.284 -0.456 18467 7002 1 10 . 1 1 81 81 SER C C 580 177.014 177.014 175.526 1.488 18467 7003 1 10 . 1 1 81 81 SER CA C 580 62.856 62.856 60.861 1.995 18467 7004 1 10 . 1 1 81 81 SER CB C 580 62.118 62.118 63.159 -1.041 18467 7005 1 10 . 1 1 81 81 SER H H 580 11.091 11.091 9.357 1.734 18467 7006 1 10 . 1 1 82 82 GLY N N 581 107.507 107.507 106.434 1.073 18467 7007 1 10 . 1 1 82 82 GLY C C 581 174.753 174.753 175.323 -0.570 18467 7008 1 10 . 1 1 82 82 GLY CA C 581 45.933 45.933 45.710 0.223 18467 7009 1 10 . 1 1 82 82 GLY H H 581 8.283 8.283 7.855 0.428 18467 7010 1 10 . 1 1 83 83 GLY N N 582 107.844 107.844 108.293 -0.449 18467 7011 1 10 . 1 1 83 83 GLY C C 582 174.383 174.383 174.769 -0.386 18467 7012 1 10 . 1 1 83 83 GLY CA C 582 44.437 44.437 44.255 0.182 18467 7013 1 10 . 1 1 83 83 GLY H H 582 8.244 8.244 7.837 0.407 18467 7014 1 10 . 1 1 84 84 ILE N N 583 120.981 120.981 123.675 -2.694 18467 7015 1 10 . 1 1 84 84 ILE HA H 583 3.820 3.820 3.910 -0.090 18467 7016 1 10 . 1 1 84 84 ILE C C 583 175.634 175.634 175.618 0.016 18467 7017 1 10 . 1 1 84 84 ILE CA C 583 62.879 62.879 62.180 0.699 18467 7018 1 10 . 1 1 84 84 ILE CB C 583 39.028 39.028 36.047 2.981 18467 7019 1 10 . 1 1 84 84 ILE H H 583 7.307 7.307 7.347 -0.040 18467 7020 1 10 . 1 1 85 85 GLY N N 584 112.078 112.078 114.914 -2.836 18467 7021 1 10 . 1 1 85 85 GLY C C 584 173.113 173.113 174.366 -1.253 18467 7022 1 10 . 1 1 85 85 GLY CA C 584 45.639 45.639 44.913 0.726 18467 7023 1 10 . 1 1 85 85 GLY H H 584 7.953 7.953 7.712 0.241 18467 7024 1 10 . 1 1 86 86 ALA N N 585 125.109 125.109 123.544 1.565 18467 7025 1 10 . 1 1 86 86 ALA HA H 585 4.312 4.312 4.207 0.105 18467 7026 1 10 . 1 1 86 86 ALA C C 585 177.336 177.336 177.394 -0.058 18467 7027 1 10 . 1 1 86 86 ALA CA C 585 54.080 54.080 54.436 -0.356 18467 7028 1 10 . 1 1 86 86 ALA CB C 585 19.745 19.745 19.327 0.418 18467 7029 1 10 . 1 1 86 86 ALA H H 585 8.295 8.295 8.296 -0.001 18467 7030 1 10 . 1 1 87 87 LEU N N 586 118.488 118.488 117.114 1.374 18467 7031 1 10 . 1 1 87 87 LEU HA H 586 4.716 4.716 4.634 0.082 18467 7032 1 10 . 1 1 87 87 LEU C C 586 175.578 175.578 174.984 0.594 18467 7033 1 10 . 1 1 87 87 LEU CA C 586 56.100 56.100 54.770 1.330 18467 7034 1 10 . 1 1 87 87 LEU CB C 586 43.651 43.651 45.086 -1.435 18467 7035 1 10 . 1 1 87 87 LEU H H 586 7.801 7.801 7.505 0.296 18467 7036 1 10 . 1 1 88 88 VAL N N 587 127.976 127.976 125.355 2.621 18467 7037 1 10 . 1 1 88 88 VAL HA H 587 4.308 4.308 4.476 -0.168 18467 7038 1 10 . 1 1 88 88 VAL C C 587 174.142 174.142 174.238 -0.096 18467 7039 1 10 . 1 1 88 88 VAL CA C 587 61.428 61.428 60.857 0.571 18467 7040 1 10 . 1 1 88 88 VAL CB C 587 35.784 35.784 35.618 0.166 18467 7041 1 10 . 1 1 88 88 VAL H H 587 9.510 9.510 9.300 0.210 18467 7042 1 10 . 1 1 89 89 ARG N N 588 125.359 125.359 125.749 -0.390 18467 7043 1 10 . 1 1 89 89 ARG HA H 588 5.257 5.257 5.073 0.184 18467 7044 1 10 . 1 1 89 89 ARG C C 588 175.003 175.003 175.618 -0.615 18467 7045 1 10 . 1 1 89 89 ARG CA C 588 54.807 54.807 54.938 -0.131 18467 7046 1 10 . 1 1 89 89 ARG H H 588 8.622 8.622 8.514 0.108 18467 7047 1 10 . 1 1 90 90 LEU N N 589 127.862 127.862 126.577 1.285 18467 7048 1 10 . 1 1 90 90 LEU HA H 589 4.572 4.572 4.635 -0.063 18467 7049 1 10 . 1 1 90 90 LEU C C 589 174.955 174.955 175.664 -0.709 18467 7050 1 10 . 1 1 90 90 LEU CA C 589 53.115 53.115 53.560 -0.445 18467 7051 1 10 . 1 1 90 90 LEU CB C 589 46.021 46.021 44.630 1.391 18467 7052 1 10 . 1 1 90 90 LEU H H 589 8.830 8.830 8.902 -0.072 18467 7053 1 10 . 1 1 91 91 LYS N N 590 129.215 129.215 126.071 3.144 18467 7054 1 10 . 1 1 91 91 LYS HA H 590 4.062 4.062 4.557 -0.495 18467 7055 1 10 . 1 1 91 91 LYS C C 590 174.635 174.635 176.760 -2.125 18467 7056 1 10 . 1 1 91 91 LYS CA C 590 58.307 58.307 56.651 1.656 18467 7057 1 10 . 1 1 91 91 LYS CB C 590 32.514 32.514 32.847 -0.333 18467 7058 1 10 . 1 1 91 91 LYS H H 590 9.429 9.429 8.799 0.630 18467 7059 1 10 . 1 1 92 92 SER N N 591 121.512 121.512 117.521 3.991 18467 7060 1 10 . 1 1 92 92 SER HA H 591 5.581 5.581 5.307 0.274 18467 7061 1 10 . 1 1 92 92 SER C C 591 178.007 178.007 175.804 2.203 18467 7062 1 10 . 1 1 92 92 SER CA C 591 58.234 58.234 56.295 1.939 18467 7063 1 10 . 1 1 92 92 SER CB C 591 67.287 67.287 65.924 1.363 18467 7064 1 10 . 1 1 92 92 SER H H 591 7.995 7.995 8.369 -0.374 18467 7065 1 10 . 1 1 93 93 LEU N N 592 121.124 121.124 119.316 1.808 18467 7066 1 10 . 1 1 93 93 LEU HA H 592 4.300 4.300 4.310 -0.010 18467 7067 1 10 . 1 1 93 93 LEU C C 592 178.518 178.518 178.742 -0.224 18467 7068 1 10 . 1 1 93 93 LEU CA C 592 57.245 57.245 56.672 0.573 18467 7069 1 10 . 1 1 93 93 LEU CB C 592 41.313 41.313 42.127 -0.814 18467 7070 1 10 . 1 1 93 93 LEU H H 592 9.336 9.336 8.285 1.051 18467 7071 1 10 . 1 1 94 94 GLN N N 593 118.739 118.739 118.388 0.351 18467 7072 1 10 . 1 1 94 94 GLN HA H 593 4.249 4.249 4.156 0.093 18467 7073 1 10 . 1 1 94 94 GLN C C 593 176.082 176.082 177.278 -1.196 18467 7074 1 10 . 1 1 94 94 GLN CA C 593 56.540 56.540 57.579 -1.039 18467 7075 1 10 . 1 1 94 94 GLN CB C 593 27.654 27.654 29.743 -2.089 18467 7076 1 10 . 1 1 94 94 GLN H H 593 7.491 7.491 7.723 -0.232 18467 7077 1 10 . 1 1 95 95 GLY N N 594 109.382 109.382 105.922 3.460 18467 7078 1 10 . 1 1 95 95 GLY C C 594 174.393 174.393 173.587 0.806 18467 7079 1 10 . 1 1 95 95 GLY CA C 594 45.457 45.457 44.718 0.739 18467 7080 1 10 . 1 1 95 95 GLY H H 594 7.631 7.631 7.934 -0.303 18467 7081 1 10 . 1 1 96 96 ASP N N 595 121.087 121.087 121.739 -0.652 18467 7082 1 10 . 1 1 96 96 ASP HA H 595 4.863 4.863 4.811 0.052 18467 7083 1 10 . 1 1 96 96 ASP C C 595 177.273 177.273 174.551 2.722 18467 7084 1 10 . 1 1 96 96 ASP CA C 595 54.520 54.520 52.847 1.673 18467 7085 1 10 . 1 1 96 96 ASP CB C 595 41.277 41.277 42.733 -1.456 18467 7086 1 10 . 1 1 96 96 ASP H H 595 8.650 8.650 8.171 0.479 18467 7087 1 10 . 1 1 97 97 LYS N N 596 119.713 119.713 118.204 1.509 18467 7088 1 10 . 1 1 97 97 LYS HA H 596 5.025 5.025 4.801 0.224 18467 7089 1 10 . 1 1 97 97 LYS C C 596 176.566 176.566 175.640 0.926 18467 7090 1 10 . 1 1 97 97 LYS CA C 596 56.274 56.274 54.795 1.479 18467 7091 1 10 . 1 1 97 97 LYS CB C 596 33.771 33.771 34.956 -1.185 18467 7092 1 10 . 1 1 97 97 LYS H H 596 9.028 9.028 8.332 0.696 18467 7093 1 10 . 1 1 98 98 LEU N N 597 125.754 125.754 124.954 0.800 18467 7094 1 10 . 1 1 98 98 LEU HA H 597 4.398 4.398 4.329 0.069 18467 7095 1 10 . 1 1 98 98 LEU C C 597 176.144 176.144 176.387 -0.243 18467 7096 1 10 . 1 1 98 98 LEU CA C 597 53.899 53.899 54.259 -0.360 18467 7097 1 10 . 1 1 98 98 LEU CB C 597 45.148 45.148 42.243 2.905 18467 7098 1 10 . 1 1 98 98 LEU H H 597 9.336 9.336 9.205 0.131 18467 7099 1 10 . 1 1 99 99 GLU N N 598 121.101 121.101 126.971 -5.870 18467 7100 1 10 . 1 1 99 99 GLU HA H 598 4.662 4.662 4.368 0.294 18467 7101 1 10 . 1 1 99 99 GLU C C 598 175.132 175.132 174.928 0.204 18467 7102 1 10 . 1 1 99 99 GLU CA C 598 55.714 55.714 55.773 -0.059 18467 7103 1 10 . 1 1 99 99 GLU CB C 598 30.542 30.542 29.890 0.652 18467 7104 1 10 . 1 1 99 99 GLU H H 598 8.368 8.368 8.781 -0.413 18467 7105 1 10 . 1 1 100 100 VAL N N 599 130.595 130.595 128.010 2.585 18467 7106 1 10 . 1 1 100 100 VAL HA H 599 5.046 5.046 4.874 0.172 18467 7107 1 10 . 1 1 100 100 VAL C C 599 173.759 173.759 173.582 0.177 18467 7108 1 10 . 1 1 100 100 VAL CA C 599 61.081 61.081 59.383 1.698 18467 7109 1 10 . 1 1 100 100 VAL CB C 599 32.873 32.873 34.535 -1.663 18467 7110 1 10 . 1 1 100 100 VAL H H 599 9.337 9.337 8.070 1.267 18467 7111 1 10 . 1 1 101 101 SER N N 600 119.887 119.887 123.479 -3.592 18467 7112 1 10 . 1 1 101 101 SER HA H 600 4.943 4.943 4.814 0.129 18467 7113 1 10 . 1 1 101 101 SER C C 600 171.934 171.934 172.151 -0.217 18467 7114 1 10 . 1 1 101 101 SER CA C 600 56.540 56.540 56.864 -0.324 18467 7115 1 10 . 1 1 101 101 SER CB C 600 67.405 67.405 66.142 1.263 18467 7116 1 10 . 1 1 101 101 SER H H 600 9.033 9.033 9.045 -0.012 18467 7117 1 10 . 1 1 102 102 LEU N N 601 123.007 123.007 122.593 0.414 18467 7118 1 10 . 1 1 102 102 LEU HA H 601 5.047 5.047 4.860 0.187 18467 7119 1 10 . 1 1 102 102 LEU C C 601 175.767 175.767 174.711 1.056 18467 7120 1 10 . 1 1 102 102 LEU CA C 601 54.324 54.324 54.136 0.188 18467 7121 1 10 . 1 1 102 102 LEU CB C 601 45.374 45.374 43.724 1.650 18467 7122 1 10 . 1 1 102 102 LEU H H 601 7.930 7.930 8.675 -0.745 18467 7123 1 10 . 1 1 103 103 LYS N N 602 126.480 126.480 125.157 1.323 18467 7124 1 10 . 1 1 103 103 LYS HA H 602 4.457 4.457 4.603 -0.146 18467 7125 1 10 . 1 1 103 103 LYS CA C 602 55.707 55.707 55.458 0.249 18467 7126 1 10 . 1 1 103 103 LYS CB C 602 35.032 35.032 35.185 -0.153 18467 7127 1 10 . 1 1 103 103 LYS H H 602 8.335 8.335 9.080 -0.745 18467 7128 1 10 . 1 1 104 104 ASN HA H 603 4.296 4.296 4.367 -0.071 18467 7129 1 10 . 1 1 104 104 ASN C C 603 174.156 174.156 174.969 -0.813 18467 7130 1 10 . 1 1 104 104 ASN CA C 603 54.724 54.724 53.843 0.881 18467 7131 1 10 . 1 1 104 104 ASN CB C 603 37.168 37.168 37.619 -0.451 18467 7132 1 10 . 1 1 105 105 ASN N N 604 108.763 108.763 111.987 -3.224 18467 7133 1 10 . 1 1 105 105 ASN HA H 604 4.167 4.167 4.336 -0.169 18467 7134 1 10 . 1 1 105 105 ASN C C 604 173.754 173.754 173.681 0.073 18467 7135 1 10 . 1 1 105 105 ASN CA C 604 55.146 55.146 54.313 0.833 18467 7136 1 10 . 1 1 105 105 ASN CB C 604 38.249 38.249 38.331 -0.082 18467 7137 1 10 . 1 1 105 105 ASN H H 604 8.682 8.682 8.596 0.086 18467 7138 1 10 . 1 1 106 106 VAL N N 605 121.612 121.612 117.556 4.056 18467 7139 1 10 . 1 1 106 106 VAL HA H 605 4.285 4.285 4.435 -0.150 18467 7140 1 10 . 1 1 106 106 VAL C C 605 176.332 176.332 174.324 2.008 18467 7141 1 10 . 1 1 106 106 VAL CA C 605 62.112 62.112 59.611 2.501 18467 7142 1 10 . 1 1 106 106 VAL CB C 605 34.425 34.425 34.718 -0.293 18467 7143 1 10 . 1 1 106 106 VAL H H 605 7.906 7.906 7.457 0.449 18467 7144 1 10 . 1 1 107 107 VAL N N 606 133.233 133.233 126.325 6.908 18467 7145 1 10 . 1 1 107 107 VAL HA H 606 4.615 4.615 4.496 0.119 18467 7146 1 10 . 1 1 107 107 VAL C C 606 174.697 174.697 175.494 -0.797 18467 7147 1 10 . 1 1 107 107 VAL CA C 606 61.712 61.712 62.636 -0.924 18467 7148 1 10 . 1 1 107 107 VAL CB C 606 32.254 32.254 32.568 -0.313 18467 7149 1 10 . 1 1 107 107 VAL H H 606 9.422 9.422 8.789 0.633 18467 7150 1 10 . 1 1 108 108 SER N N 607 120.829 120.829 123.416 -2.587 18467 7151 1 10 . 1 1 108 108 SER HA H 607 5.360 5.360 5.290 0.070 18467 7152 1 10 . 1 1 108 108 SER C C 607 171.938 171.938 173.211 -1.273 18467 7153 1 10 . 1 1 108 108 SER CA C 607 57.031 57.031 56.768 0.263 18467 7154 1 10 . 1 1 108 108 SER CB C 607 66.490 66.490 64.695 1.795 18467 7155 1 10 . 1 1 108 108 SER H H 607 9.113 9.113 9.254 -0.141 18467 7156 1 10 . 1 1 109 109 VAL N N 608 121.130 121.130 125.493 -4.363 18467 7157 1 10 . 1 1 109 109 VAL HA H 608 4.797 4.797 4.660 0.137 18467 7158 1 10 . 1 1 109 109 VAL C C 608 173.930 173.930 174.995 -1.065 18467 7159 1 10 . 1 1 109 109 VAL CA C 608 57.351 57.351 59.675 -2.324 18467 7160 1 10 . 1 1 109 109 VAL CB C 608 33.964 33.964 34.009 -0.045 18467 7161 1 10 . 1 1 109 109 VAL H H 608 9.120 9.120 8.728 0.392 18467 7162 1 10 . 1 1 110 110 ASN N N 609 128.284 128.284 126.630 1.654 18467 7163 1 10 . 1 1 110 110 ASN HA H 609 4.271 4.271 4.316 -0.045 18467 7164 1 10 . 1 1 110 110 ASN C C 609 175.369 175.369 174.758 0.611 18467 7165 1 10 . 1 1 110 110 ASN CA C 609 54.004 54.004 54.624 -0.620 18467 7166 1 10 . 1 1 110 110 ASN CB C 609 35.927 35.927 36.745 -0.818 18467 7167 1 10 . 1 1 110 110 ASN H H 609 9.777 9.777 9.049 0.728 18467 7168 1 10 . 1 1 111 111 LYS N N 610 107.711 107.711 109.442 -1.731 18467 7169 1 10 . 1 1 111 111 LYS HA H 610 3.660 3.660 3.942 -0.282 18467 7170 1 10 . 1 1 111 111 LYS C C 610 175.573 175.573 175.558 0.015 18467 7171 1 10 . 1 1 111 111 LYS CA C 610 58.404 58.404 58.141 0.263 18467 7172 1 10 . 1 1 111 111 LYS CB C 610 30.549 30.549 31.393 -0.844 18467 7173 1 10 . 1 1 111 111 LYS H H 610 8.290 8.290 7.909 0.381 18467 7174 1 10 . 1 1 112 112 GLU N N 611 125.822 125.822 119.915 5.907 18467 7175 1 10 . 1 1 112 112 GLU HA H 611 4.763 4.763 4.772 -0.009 18467 7176 1 10 . 1 1 112 112 GLU CA C 611 52.981 52.981 53.355 -0.374 18467 7177 1 10 . 1 1 112 112 GLU CB C 611 29.509 29.509 30.398 -0.889 18467 7178 1 10 . 1 1 112 112 GLU H H 611 8.595 8.595 7.716 0.879 18467 7179 1 10 . 1 1 113 113 PRO HA H 612 4.682 4.682 4.737 -0.055 18467 7180 1 10 . 1 1 113 113 PRO C C 612 177.310 177.310 176.353 0.957 18467 7181 1 10 . 1 1 113 113 PRO CA C 612 62.649 62.649 62.636 0.013 18467 7182 1 10 . 1 1 113 113 PRO CB C 612 32.139 32.139 31.939 0.200 18467 7183 1 10 . 1 1 114 114 VAL N N 613 124.773 124.773 123.626 1.147 18467 7184 1 10 . 1 1 114 114 VAL HA H 613 4.274 4.274 4.103 0.171 18467 7185 1 10 . 1 1 114 114 VAL C C 613 176.558 176.558 176.319 0.239 18467 7186 1 10 . 1 1 114 114 VAL CA C 613 62.350 62.350 62.138 0.212 18467 7187 1 10 . 1 1 114 114 VAL CB C 613 32.473 32.473 32.344 0.129 18467 7188 1 10 . 1 1 114 114 VAL H H 613 9.214 9.214 8.618 0.596 18467 7189 1 10 . 1 1 115 115 ALA N N 614 132.583 132.583 131.708 0.875 18467 7190 1 10 . 1 1 115 115 ALA HA H 614 4.321 4.321 4.274 0.047 18467 7191 1 10 . 1 1 115 115 ALA C C 614 178.354 178.354 177.660 0.694 18467 7192 1 10 . 1 1 115 115 ALA CA C 614 53.995 53.995 53.965 0.030 18467 7193 1 10 . 1 1 115 115 ALA CB C 614 19.616 19.616 20.064 -0.448 18467 7194 1 10 . 1 1 115 115 ALA H H 614 8.935 8.935 8.986 -0.051 18467 7195 1 10 . 1 1 116 116 GLU N N 615 115.172 115.172 117.877 -2.705 18467 7196 1 10 . 1 1 116 116 GLU HA H 615 4.866 4.866 4.802 0.064 18467 7197 1 10 . 1 1 116 116 GLU CA C 615 53.432 53.432 53.240 0.192 18467 7198 1 10 . 1 1 116 116 GLU CB C 615 31.554 31.554 31.936 -0.382 18467 7199 1 10 . 1 1 116 116 GLU H H 615 6.867 6.867 8.190 -1.323 18467 7200 1 10 . 1 1 117 117 PRO HA H 616 5.651 5.651 4.806 0.845 18467 7201 1 10 . 1 1 117 117 PRO C C 616 177.099 177.099 176.496 0.603 18467 7202 1 10 . 1 1 117 117 PRO CA C 616 61.960 61.960 62.721 -0.761 18467 7203 1 10 . 1 1 117 117 PRO CB C 616 33.618 33.618 32.866 0.752 18467 7204 1 10 . 1 1 118 118 ASP N N 617 114.290 114.290 116.705 -2.415 18467 7205 1 10 . 1 1 118 118 ASP HA H 617 3.881 3.881 4.083 -0.202 18467 7206 1 10 . 1 1 118 118 ASP C C 617 174.967 174.967 176.282 -1.315 18467 7207 1 10 . 1 1 118 118 ASP CA C 617 54.921 54.921 55.112 -0.191 18467 7208 1 10 . 1 1 118 118 ASP CB C 617 37.857 37.857 40.520 -2.663 18467 7209 1 10 . 1 1 118 118 ASP H H 617 9.727 9.727 7.753 1.974 18467 7210 1 10 . 1 1 119 119 ILE N N 618 121.048 121.048 119.777 1.271 18467 7211 1 10 . 1 1 119 119 ILE HA H 618 4.037 4.037 4.018 0.019 18467 7212 1 10 . 1 1 119 119 ILE C C 618 175.869 175.869 175.485 0.384 18467 7213 1 10 . 1 1 119 119 ILE CA C 618 62.807 62.807 61.163 1.644 18467 7214 1 10 . 1 1 119 119 ILE CB C 618 36.618 36.618 36.678 -0.061 18467 7215 1 10 . 1 1 119 119 ILE H H 618 8.750 8.750 8.140 0.610 18467 7216 1 10 . 1 1 120 120 MET N N 619 125.674 125.674 126.873 -1.199 18467 7217 1 10 . 1 1 120 120 MET HA H 619 4.601 4.601 4.467 0.134 18467 7218 1 10 . 1 1 120 120 MET C C 619 174.817 174.817 175.531 -0.714 18467 7219 1 10 . 1 1 120 120 MET CA C 619 54.936 54.936 55.614 -0.677 18467 7220 1 10 . 1 1 120 120 MET CB C 619 31.313 31.313 33.044 -1.731 18467 7221 1 10 . 1 1 120 120 MET H H 619 8.080 8.080 7.888 0.192 18467 7222 1 10 . 1 1 121 121 ALA N N 620 122.849 122.849 126.455 -3.606 18467 7223 1 10 . 1 1 121 121 ALA HA H 620 4.902 4.902 4.689 0.213 18467 7224 1 10 . 1 1 121 121 ALA C C 620 177.908 177.908 177.639 0.269 18467 7225 1 10 . 1 1 121 121 ALA CA C 620 49.986 49.986 50.411 -0.425 18467 7226 1 10 . 1 1 121 121 ALA CB C 620 23.115 23.115 21.582 1.533 18467 7227 1 10 . 1 1 121 121 ALA H H 620 8.377 8.377 8.554 -0.177 18467 7228 1 10 . 1 1 122 122 THR N N 621 111.104 111.104 113.374 -2.270 18467 7229 1 10 . 1 1 122 122 THR HA H 621 4.051 4.051 4.161 -0.110 18467 7230 1 10 . 1 1 122 122 THR C C 621 176.320 176.320 174.756 1.564 18467 7231 1 10 . 1 1 122 122 THR CA C 621 64.524 64.524 64.691 -0.167 18467 7232 1 10 . 1 1 122 122 THR CB C 621 68.391 68.391 68.634 -0.243 18467 7233 1 10 . 1 1 122 122 THR H H 621 9.183 9.183 8.303 0.880 18467 7234 1 10 . 1 1 123 123 ASN N N 622 117.445 117.445 115.500 1.945 18467 7235 1 10 . 1 1 123 123 ASN HA H 622 5.030 5.030 4.956 0.074 18467 7236 1 10 . 1 1 123 123 ASN C C 622 173.263 173.263 174.405 -1.142 18467 7237 1 10 . 1 1 123 123 ASN CA C 622 51.203 51.203 52.277 -1.074 18467 7238 1 10 . 1 1 123 123 ASN CB C 622 37.076 37.076 39.062 -1.986 18467 7239 1 10 . 1 1 123 123 ASN H H 622 7.969 7.969 8.078 -0.109 18467 7240 1 10 . 1 1 124 124 GLY N N 623 102.705 102.705 106.953 -4.248 18467 7241 1 10 . 1 1 124 124 GLY C C 623 169.925 169.925 171.642 -1.717 18467 7242 1 10 . 1 1 124 124 GLY CA C 623 46.709 46.709 45.491 1.218 18467 7243 1 10 . 1 1 124 124 GLY H H 623 6.921 6.921 7.372 -0.451 18467 7244 1 10 . 1 1 125 125 VAL N N 624 119.913 119.913 119.588 0.325 18467 7245 1 10 . 1 1 125 125 VAL HA H 624 4.877 4.877 4.604 0.273 18467 7246 1 10 . 1 1 125 125 VAL C C 624 170.887 170.887 173.265 -2.378 18467 7247 1 10 . 1 1 125 125 VAL CA C 624 58.527 58.527 59.563 -1.036 18467 7248 1 10 . 1 1 125 125 VAL CB C 624 34.967 34.967 35.059 -0.092 18467 7249 1 10 . 1 1 125 125 VAL H H 624 8.485 8.485 8.644 -0.159 18467 7250 1 10 . 1 1 126 126 VAL N N 625 127.599 127.599 126.216 1.383 18467 7251 1 10 . 1 1 126 126 VAL HA H 625 4.619 4.619 4.912 -0.293 18467 7252 1 10 . 1 1 126 126 VAL C C 625 172.882 172.882 174.107 -1.225 18467 7253 1 10 . 1 1 126 126 VAL CA C 625 60.534 60.534 59.846 0.688 18467 7254 1 10 . 1 1 126 126 VAL CB C 625 34.184 34.184 35.048 -0.864 18467 7255 1 10 . 1 1 126 126 VAL H H 625 9.106 9.106 8.684 0.422 18467 7256 1 10 . 1 1 127 127 HIS N N 626 124.292 124.292 123.106 1.186 18467 7257 1 10 . 1 1 127 127 HIS HA H 626 5.494 5.494 5.147 0.347 18467 7258 1 10 . 1 1 127 127 HIS C C 626 175.629 175.629 174.806 0.823 18467 7259 1 10 . 1 1 127 127 HIS CA C 626 53.247 53.247 54.170 -0.923 18467 7260 1 10 . 1 1 127 127 HIS CB C 626 34.369 34.369 32.922 1.447 18467 7261 1 10 . 1 1 127 127 HIS H H 626 8.754 8.754 8.645 0.109 18467 7262 1 10 . 1 1 128 128 VAL N N 627 124.493 124.493 126.275 -1.782 18467 7263 1 10 . 1 1 128 128 VAL HA H 627 4.512 4.512 4.601 -0.089 18467 7264 1 10 . 1 1 128 128 VAL C C 627 176.349 176.349 175.482 0.867 18467 7265 1 10 . 1 1 128 128 VAL CA C 627 64.730 64.730 63.335 1.395 18467 7266 1 10 . 1 1 128 128 VAL CB C 627 32.980 32.980 32.035 0.945 18467 7267 1 10 . 1 1 128 128 VAL H H 627 8.812 8.812 8.646 0.166 18467 7268 1 10 . 1 1 129 129 ILE N N 628 121.077 121.077 123.044 -1.967 18467 7269 1 10 . 1 1 129 129 ILE HA H 628 5.118 5.118 4.814 0.304 18467 7270 1 10 . 1 1 129 129 ILE C C 628 175.190 175.190 176.352 -1.162 18467 7271 1 10 . 1 1 129 129 ILE CA C 628 60.217 60.217 59.204 1.013 18467 7272 1 10 . 1 1 129 129 ILE CB C 628 42.539 42.539 41.037 1.502 18467 7273 1 10 . 1 1 129 129 ILE H H 628 8.629 8.629 9.231 -0.602 18467 7274 1 10 . 1 1 130 130 THR N N 629 108.406 108.406 112.417 -4.011 18467 7275 1 10 . 1 1 130 130 THR HA H 629 4.671 4.671 4.357 0.314 18467 7276 1 10 . 1 1 130 130 THR C C 629 172.980 172.980 173.893 -0.913 18467 7277 1 10 . 1 1 130 130 THR CA C 629 61.381 61.381 61.706 -0.325 18467 7278 1 10 . 1 1 130 130 THR CB C 629 68.784 68.784 69.270 -0.486 18467 7279 1 10 . 1 1 130 130 THR H H 629 9.368 9.368 8.752 0.616 18467 7280 1 10 . 1 1 131 131 ASN N N 630 117.533 117.533 117.739 -0.206 18467 7281 1 10 . 1 1 131 131 ASN HA H 630 4.754 4.754 4.914 -0.160 18467 7282 1 10 . 1 1 131 131 ASN C C 630 172.493 172.493 173.539 -1.046 18467 7283 1 10 . 1 1 131 131 ASN CA C 630 52.575 52.575 52.048 0.527 18467 7284 1 10 . 1 1 131 131 ASN CB C 630 43.079 43.079 41.564 1.515 18467 7285 1 10 . 1 1 131 131 ASN H H 630 7.355 7.355 7.574 -0.219 18467 7286 1 10 . 1 1 132 132 VAL N N 631 117.886 117.886 120.083 -2.197 18467 7287 1 10 . 1 1 132 132 VAL HA H 631 3.914 3.914 4.491 -0.577 18467 7288 1 10 . 1 1 132 132 VAL C C 631 176.909 176.909 175.521 1.388 18467 7289 1 10 . 1 1 132 132 VAL CA C 631 62.424 62.424 61.199 1.225 18467 7290 1 10 . 1 1 132 132 VAL CB C 631 32.453 32.453 33.340 -0.887 18467 7291 1 10 . 1 1 132 132 VAL H H 631 8.087 8.087 8.604 -0.517 18467 7292 1 10 . 1 1 133 133 LEU N N 632 130.948 130.948 123.801 7.147 18467 7293 1 10 . 1 1 133 133 LEU HA H 632 4.220 4.220 4.674 -0.454 18467 7294 1 10 . 1 1 133 133 LEU CA C 632 55.468 55.468 54.218 1.250 18467 7295 1 10 . 1 1 133 133 LEU H H 632 10.937 10.937 8.906 2.031 18467 7296 1 10 . 1 1 134 134 GLN N N 633 118.157 118.157 124.422 -6.265 18467 7297 1 10 . 1 1 134 134 GLN HA H 633 4.361 4.361 4.551 -0.190 18467 7298 1 10 . 1 1 134 134 GLN CA C 633 55.043 55.043 54.947 0.096 18467 7299 1 10 . 1 1 134 134 GLN CB C 633 31.449 31.449 29.934 1.515 18467 7300 1 10 . 1 1 134 134 GLN H H 633 7.992 7.992 8.721 -0.729 18467 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 123 2.525 0.341 2.512 18467 2 1 1 "Average Difference" HA 138 0.304 0.024 0.304 18467 3 1 1 "Average Difference" C 118 1.126 0.006 1.130 18467 4 1 1 "Average Difference" CA 132 0.960 -0.301 0.916 18467 5 1 1 "Average Difference" CB 118 1.157 -0.135 1.154 18467 6 1 1 "Average Difference" HN 123 0.598 -0.104 0.591 18467 7 1 2 "Average Difference" N 123 2.531 0.534 2.484 18467 8 1 2 "Average Difference" HA 138 0.328 0.031 0.328 18467 9 1 2 "Average Difference" C 118 1.106 0.073 1.109 18467 10 1 2 "Average Difference" CA 132 0.985 -0.210 0.966 18467 11 1 2 "Average Difference" CB 118 1.153 -0.185 1.143 18467 12 1 2 "Average Difference" HN 123 0.591 -0.081 0.588 18467 13 1 3 "Average Difference" N 123 2.515 0.401 2.493 18467 14 1 3 "Average Difference" HA 138 0.330 0.003 0.331 18467 15 1 3 "Average Difference" C 118 1.190 0.043 1.195 18467 16 1 3 "Average Difference" CA 132 0.983 -0.254 0.954 18467 17 1 3 "Average Difference" CB 118 1.258 -0.197 1.247 18467 18 1 3 "Average Difference" HN 123 0.628 -0.129 0.617 18467 19 1 4 "Average Difference" N 123 2.421 0.448 2.389 18467 20 1 4 "Average Difference" HA 138 0.315 0.006 0.316 18467 21 1 4 "Average Difference" C 118 1.093 0.070 1.095 18467 22 1 4 "Average Difference" CA 132 0.957 -0.262 0.924 18467 23 1 4 "Average Difference" CB 118 1.203 -0.201 1.191 18467 24 1 4 "Average Difference" HN 123 0.598 -0.123 0.587 18467 25 1 5 "Average Difference" N 123 2.739 0.528 2.698 18467 26 1 5 "Average Difference" HA 138 0.332 0.008 0.333 18467 27 1 5 "Average Difference" C 118 1.091 0.036 1.095 18467 28 1 5 "Average Difference" CA 132 0.993 -0.243 0.967 18467 29 1 5 "Average Difference" CB 118 1.114 -0.186 1.103 18467 30 1 5 "Average Difference" HN 123 0.596 -0.088 0.592 18467 31 1 6 "Average Difference" N 123 2.514 0.403 2.491 18467 32 1 6 "Average Difference" HA 138 0.321 0.005 0.322 18467 33 1 6 "Average Difference" C 118 1.202 0.024 1.207 18467 34 1 6 "Average Difference" CA 132 0.990 -0.277 0.954 18467 35 1 6 "Average Difference" CB 118 1.188 -0.151 1.183 18467 36 1 6 "Average Difference" HN 123 0.609 -0.110 0.601 18467 37 1 7 "Average Difference" N 123 2.601 0.263 2.598 18467 38 1 7 "Average Difference" HA 138 0.316 0.031 0.316 18467 39 1 7 "Average Difference" C 118 1.152 0.008 1.157 18467 40 1 7 "Average Difference" CA 132 0.952 -0.292 0.910 18467 41 1 7 "Average Difference" CB 118 1.174 -0.152 1.169 18467 42 1 7 "Average Difference" HN 123 0.598 -0.127 0.586 18467 43 1 8 "Average Difference" N 123 2.438 0.483 2.399 18467 44 1 8 "Average Difference" HA 138 0.327 0.018 0.327 18467 45 1 8 "Average Difference" C 118 1.120 -0.006 1.125 18467 46 1 8 "Average Difference" CA 132 1.064 -0.287 1.028 18467 47 1 8 "Average Difference" CB 118 1.223 -0.169 1.216 18467 48 1 8 "Average Difference" HN 123 0.580 -0.087 0.576 18467 49 1 9 "Average Difference" N 123 2.531 0.286 2.525 18467 50 1 9 "Average Difference" HA 138 0.312 0.045 0.310 18467 51 1 9 "Average Difference" C 118 1.157 -0.007 1.162 18467 52 1 9 "Average Difference" CA 132 1.011 -0.287 0.973 18467 53 1 9 "Average Difference" CB 118 1.157 -0.133 1.155 18467 54 1 9 "Average Difference" HN 123 0.592 -0.091 0.587 18467 55 1 10 "Average Difference" N 123 2.644 0.437 2.618 18467 56 1 10 "Average Difference" HA 138 0.302 0.009 0.303 18467 57 1 10 "Average Difference" C 118 1.132 0.087 1.133 18467 58 1 10 "Average Difference" CA 132 0.993 -0.236 0.969 18467 59 1 10 "Average Difference" CB 118 1.181 -0.171 1.173 18467 60 1 10 "Average Difference" HN 123 0.600 -0.120 0.590 18467 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 18467 _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 3 3 MET C C 502 175.861 175.861 175.402 0.459 18467 2 1 . 1 1 3 3 MET CA C 502 55.905 55.905 55.228 0.677 18467 3 1 . 1 1 3 3 MET CB C 502 34.158 34.158 33.008 1.150 18467 4 1 . 1 1 4 4 GLY N N 503 111.094 111.094 109.304 1.790 18467 5 1 . 1 1 4 4 GLY C C 503 173.998 173.998 173.384 0.614 18467 6 1 . 1 1 4 4 GLY CA C 503 44.482 44.482 44.615 -0.133 18467 7 1 . 1 1 4 4 GLY H H 503 8.376 8.376 8.257 0.119 18467 8 1 . 1 1 5 5 THR N N 504 111.539 111.539 112.635 -1.095 18467 9 1 . 1 1 5 5 THR HA H 504 4.440 4.440 4.665 -0.225 18467 10 1 . 1 1 5 5 THR C C 504 176.360 176.360 176.369 -0.009 18467 11 1 . 1 1 5 5 THR CA C 504 61.986 61.986 60.138 1.849 18467 12 1 . 1 1 5 5 THR CB C 504 73.034 73.034 71.276 1.758 18467 13 1 . 1 1 5 5 THR H H 504 9.233 9.233 8.039 1.195 18467 14 1 . 1 1 6 6 VAL N N 505 118.212 118.212 120.025 -1.812 18467 15 1 . 1 1 6 6 VAL HA H 505 3.250 3.250 3.642 -0.392 18467 16 1 . 1 1 6 6 VAL C C 505 177.264 177.264 177.838 -0.574 18467 17 1 . 1 1 6 6 VAL CA C 505 67.200 67.200 66.909 0.291 18467 18 1 . 1 1 6 6 VAL CB C 505 31.657 31.657 31.180 0.477 18467 19 1 . 1 1 6 6 VAL H H 505 9.918 9.918 9.194 0.724 18467 20 1 . 1 1 7 7 MET N N 506 114.107 114.107 118.029 -3.922 18467 21 1 . 1 1 7 7 MET HA H 506 4.361 4.361 4.130 0.231 18467 22 1 . 1 1 7 7 MET C C 506 178.097 178.097 178.025 0.072 18467 23 1 . 1 1 7 7 MET CA C 506 56.075 56.075 57.871 -1.796 18467 24 1 . 1 1 7 7 MET CB C 506 30.910 30.910 31.653 -0.743 18467 25 1 . 1 1 7 7 MET H H 506 6.975 6.975 7.658 -0.683 18467 26 1 . 1 1 8 8 ASP N N 507 120.374 120.374 120.004 0.370 18467 27 1 . 1 1 8 8 ASP HA H 507 4.255 4.255 4.433 -0.178 18467 28 1 . 1 1 8 8 ASP C C 507 179.824 179.824 178.666 1.158 18467 29 1 . 1 1 8 8 ASP CA C 507 58.088 58.088 57.588 0.499 18467 30 1 . 1 1 8 8 ASP CB C 507 40.526 40.526 40.904 -0.379 18467 31 1 . 1 1 8 8 ASP H H 507 7.430 7.430 7.668 -0.238 18467 32 1 . 1 1 9 9 VAL N N 508 121.326 121.326 119.920 1.406 18467 33 1 . 1 1 9 9 VAL HA H 508 3.567 3.567 3.665 -0.098 18467 34 1 . 1 1 9 9 VAL C C 508 179.115 179.115 177.679 1.436 18467 35 1 . 1 1 9 9 VAL CA C 508 66.131 66.131 66.523 -0.392 18467 36 1 . 1 1 9 9 VAL CB C 508 31.666 31.666 31.753 -0.087 18467 37 1 . 1 1 9 9 VAL H H 508 8.174 8.174 8.220 -0.046 18467 38 1 . 1 1 10 10 LEU N N 509 117.258 117.258 117.353 -0.095 18467 39 1 . 1 1 10 10 LEU HA H 509 4.039 4.039 4.391 -0.352 18467 40 1 . 1 1 10 10 LEU C C 509 179.091 179.091 179.083 0.008 18467 41 1 . 1 1 10 10 LEU CA C 509 57.372 57.372 57.253 0.119 18467 42 1 . 1 1 10 10 LEU CB C 509 41.839 41.839 41.373 0.466 18467 43 1 . 1 1 10 10 LEU H H 509 7.896 7.896 7.591 0.305 18467 44 1 . 1 1 11 11 LYS N N 510 114.824 114.824 119.286 -4.462 18467 45 1 . 1 1 11 11 LYS HA H 510 3.959 3.959 4.121 -0.162 18467 46 1 . 1 1 11 11 LYS C C 510 178.021 178.021 178.300 -0.279 18467 47 1 . 1 1 11 11 LYS CA C 510 59.047 59.047 58.842 0.205 18467 48 1 . 1 1 11 11 LYS CB C 510 32.771 32.771 32.378 0.393 18467 49 1 . 1 1 11 11 LYS H H 510 8.377 8.377 8.012 0.365 18467 50 1 . 1 1 12 12 GLY N N 511 104.574 104.574 106.287 -1.713 18467 51 1 . 1 1 12 12 GLY C C 511 172.564 172.564 173.722 -1.158 18467 52 1 . 1 1 12 12 GLY CA C 511 45.442 45.442 44.678 0.764 18467 53 1 . 1 1 12 12 GLY H H 511 7.590 7.590 7.825 -0.235 18467 54 1 . 1 1 13 13 ASP N N 512 120.194 120.194 120.236 -0.042 18467 55 1 . 1 1 13 13 ASP HA H 512 4.992 4.992 4.761 0.231 18467 56 1 . 1 1 13 13 ASP CA C 512 52.469 52.469 53.005 -0.536 18467 57 1 . 1 1 13 13 ASP CB C 512 43.985 43.985 43.363 0.622 18467 58 1 . 1 1 13 13 ASP H H 512 7.074 7.074 7.550 -0.476 18467 59 1 . 1 1 14 14 ASN HA H 513 4.447 4.447 4.572 -0.125 18467 60 1 . 1 1 14 14 ASN C C 513 176.709 176.709 176.919 -0.210 18467 61 1 . 1 1 14 14 ASN CA C 513 55.819 55.819 55.343 0.476 18467 62 1 . 1 1 14 14 ASN CB C 513 38.100 38.100 38.766 -0.666 18467 63 1 . 1 1 15 15 ARG N N 514 118.980 118.980 118.567 0.413 18467 64 1 . 1 1 15 15 ARG HA H 514 4.139 4.139 4.212 -0.073 18467 65 1 . 1 1 15 15 ARG C C 514 176.109 176.109 176.534 -0.425 18467 66 1 . 1 1 15 15 ARG CA C 514 58.061 58.061 57.925 0.136 18467 67 1 . 1 1 15 15 ARG CB C 514 30.691 30.691 29.905 0.787 18467 68 1 . 1 1 15 15 ARG H H 514 8.573 8.573 8.515 0.058 18467 69 1 . 1 1 16 16 PHE N N 515 113.150 113.150 116.120 -2.970 18467 70 1 . 1 1 16 16 PHE HA H 515 5.793 5.793 5.085 0.708 18467 71 1 . 1 1 16 16 PHE C C 515 176.420 176.420 176.371 0.049 18467 72 1 . 1 1 16 16 PHE CA C 515 55.966 55.966 55.240 0.726 18467 73 1 . 1 1 16 16 PHE CB C 515 38.644 38.644 38.479 0.165 18467 74 1 . 1 1 16 16 PHE H H 515 7.592 7.592 7.581 0.011 18467 75 1 . 1 1 17 17 SER N N 516 116.649 116.649 118.026 -1.377 18467 76 1 . 1 1 17 17 SER HA H 516 4.062 4.062 4.244 -0.182 18467 77 1 . 1 1 17 17 SER C C 516 178.631 178.631 176.296 2.335 18467 78 1 . 1 1 17 17 SER CA C 516 62.695 62.695 62.104 0.591 18467 79 1 . 1 1 17 17 SER CB C 516 62.147 62.147 63.253 -1.106 18467 80 1 . 1 1 17 17 SER H H 516 7.527 7.527 7.614 -0.087 18467 81 1 . 1 1 18 18 MET N N 517 124.591 124.591 120.321 4.269 18467 82 1 . 1 1 18 18 MET HA H 517 4.122 4.122 4.416 -0.294 18467 83 1 . 1 1 18 18 MET C C 517 177.503 177.503 177.600 -0.097 18467 84 1 . 1 1 18 18 MET CA C 517 59.707 59.707 57.414 2.292 18467 85 1 . 1 1 18 18 MET CB C 517 32.304 32.304 32.077 0.227 18467 86 1 . 1 1 18 18 MET H H 517 9.271 9.271 8.220 1.051 18467 87 1 . 1 1 19 19 LEU N N 518 123.039 123.039 120.965 2.074 18467 88 1 . 1 1 19 19 LEU HA H 518 3.893 3.893 4.067 -0.174 18467 89 1 . 1 1 19 19 LEU C C 518 178.414 178.414 178.010 0.404 18467 90 1 . 1 1 19 19 LEU CA C 518 58.118 58.118 58.072 0.046 18467 91 1 . 1 1 19 19 LEU CB C 518 41.221 41.221 41.763 -0.542 18467 92 1 . 1 1 19 19 LEU H H 518 8.587 8.587 7.990 0.597 18467 93 1 . 1 1 20 20 VAL N N 519 118.518 118.518 118.968 -0.450 18467 94 1 . 1 1 20 20 VAL HA H 519 3.322 3.322 3.544 -0.222 18467 95 1 . 1 1 20 20 VAL C C 519 178.032 178.032 177.991 0.041 18467 96 1 . 1 1 20 20 VAL CA C 519 67.874 67.874 66.940 0.934 18467 97 1 . 1 1 20 20 VAL CB C 519 31.600 31.600 30.922 0.678 18467 98 1 . 1 1 20 20 VAL H H 519 9.070 9.070 8.054 1.016 18467 99 1 . 1 1 21 21 ALA N N 520 122.534 122.534 121.046 1.488 18467 100 1 . 1 1 21 21 ALA HA H 520 4.165 4.165 3.933 0.232 18467 101 1 . 1 1 21 21 ALA C C 520 180.604 180.604 179.083 1.521 18467 102 1 . 1 1 21 21 ALA CA C 520 55.125 55.125 55.019 0.106 18467 103 1 . 1 1 21 21 ALA CB C 520 17.702 17.702 17.980 -0.278 18467 104 1 . 1 1 21 21 ALA H H 520 7.594 7.594 7.562 0.032 18467 105 1 . 1 1 22 22 ALA N N 521 123.185 123.185 122.219 0.966 18467 106 1 . 1 1 22 22 ALA HA H 521 3.945 3.945 3.949 -0.004 18467 107 1 . 1 1 22 22 ALA C C 521 178.468 178.468 179.569 -1.101 18467 108 1 . 1 1 22 22 ALA CA C 521 54.905 54.905 54.785 0.120 18467 109 1 . 1 1 22 22 ALA CB C 521 17.956 17.956 18.352 -0.396 18467 110 1 . 1 1 22 22 ALA H H 521 8.549 8.549 7.671 0.878 18467 111 1 . 1 1 23 23 ILE N N 522 120.269 120.269 118.684 1.585 18467 112 1 . 1 1 23 23 ILE HA H 522 3.275 3.275 3.490 -0.216 18467 113 1 . 1 1 23 23 ILE C C 522 178.024 178.024 177.795 0.229 18467 114 1 . 1 1 23 23 ILE CA C 522 66.015 66.015 65.168 0.847 18467 115 1 . 1 1 23 23 ILE CB C 522 38.407 38.407 37.508 0.899 18467 116 1 . 1 1 23 23 ILE H H 522 8.963 8.963 8.318 0.645 18467 117 1 . 1 1 24 24 GLN N N 523 118.677 118.677 120.686 -2.009 18467 118 1 . 1 1 24 24 GLN HA H 523 4.169 4.169 4.044 0.125 18467 119 1 . 1 1 24 24 GLN C C 523 180.200 180.200 178.896 1.304 18467 120 1 . 1 1 24 24 GLN CA C 523 58.567 58.567 58.614 -0.047 18467 121 1 . 1 1 24 24 GLN CB C 523 27.611 27.611 28.313 -0.702 18467 122 1 . 1 1 24 24 GLN H H 523 7.976 7.976 8.389 -0.413 18467 123 1 . 1 1 25 25 SER N N 524 117.810 117.810 115.682 2.128 18467 124 1 . 1 1 25 25 SER C C 524 175.679 175.679 175.768 -0.089 18467 125 1 . 1 1 25 25 SER CA C 524 62.046 62.046 61.029 1.017 18467 126 1 . 1 1 25 25 SER CB C 524 63.015 63.015 62.977 0.038 18467 127 1 . 1 1 25 25 SER H H 524 8.311 8.311 8.185 0.126 18467 128 1 . 1 1 26 26 ALA N N 525 119.017 119.017 120.228 -1.211 18467 129 1 . 1 1 26 26 ALA HA H 525 4.307 4.307 4.318 -0.011 18467 130 1 . 1 1 26 26 ALA C C 525 176.838 176.838 178.050 -1.212 18467 131 1 . 1 1 26 26 ALA CA C 525 52.205 52.205 52.321 -0.116 18467 132 1 . 1 1 26 26 ALA CB C 525 19.912 19.912 19.013 0.899 18467 133 1 . 1 1 26 26 ALA H H 525 8.322 8.322 7.394 0.928 18467 134 1 . 1 1 27 27 GLY N N 526 105.650 105.650 106.584 -0.934 18467 135 1 . 1 1 27 27 GLY C C 526 176.606 176.606 175.362 1.244 18467 136 1 . 1 1 27 27 GLY CA C 526 46.361 46.361 45.785 0.576 18467 137 1 . 1 1 27 27 GLY H H 526 7.749 7.749 7.869 -0.120 18467 138 1 . 1 1 28 28 LEU N N 527 118.441 118.441 116.918 1.523 18467 139 1 . 1 1 28 28 LEU HA H 527 4.452 4.452 4.597 -0.146 18467 140 1 . 1 1 28 28 LEU C C 527 175.786 175.786 177.646 -1.860 18467 141 1 . 1 1 28 28 LEU CA C 527 54.774 54.774 54.047 0.727 18467 142 1 . 1 1 28 28 LEU CB C 527 45.162 45.162 40.789 4.372 18467 143 1 . 1 1 28 28 LEU H H 527 8.100 8.100 7.660 0.440 18467 144 1 . 1 1 29 29 THR N N 528 117.975 117.975 117.011 0.964 18467 145 1 . 1 1 29 29 THR HA H 528 3.539 3.539 3.854 -0.315 18467 146 1 . 1 1 29 29 THR C C 528 175.468 175.468 176.122 -0.654 18467 147 1 . 1 1 29 29 THR CA C 528 66.819 66.819 67.225 -0.406 18467 148 1 . 1 1 29 29 THR CB C 528 68.696 68.696 68.303 0.393 18467 149 1 . 1 1 29 29 THR H H 528 7.584 7.584 8.166 -0.582 18467 150 1 . 1 1 30 30 GLU N N 529 117.727 117.727 119.661 -1.934 18467 151 1 . 1 1 30 30 GLU HA H 529 3.986 3.986 4.070 -0.084 18467 152 1 . 1 1 30 30 GLU C C 529 179.348 179.348 178.128 1.220 18467 153 1 . 1 1 30 30 GLU CA C 529 59.738 59.738 59.248 0.490 18467 154 1 . 1 1 30 30 GLU CB C 529 28.596 28.596 28.859 -0.263 18467 155 1 . 1 1 30 30 GLU H H 529 8.304 8.304 8.455 -0.151 18467 156 1 . 1 1 31 31 THR N N 530 116.063 116.063 114.821 1.242 18467 157 1 . 1 1 31 31 THR HA H 530 3.758 3.758 4.066 -0.308 18467 158 1 . 1 1 31 31 THR C C 530 175.858 175.858 175.925 -0.067 18467 159 1 . 1 1 31 31 THR CA C 530 67.207 67.207 66.007 1.201 18467 160 1 . 1 1 31 31 THR CB C 530 69.145 69.145 68.820 0.325 18467 161 1 . 1 1 31 31 THR H H 530 7.698 7.698 7.521 0.177 18467 162 1 . 1 1 32 32 LEU N N 531 116.755 116.755 119.507 -2.752 18467 163 1 . 1 1 32 32 LEU HA H 531 3.921 3.921 4.060 -0.139 18467 164 1 . 1 1 32 32 LEU C C 531 176.163 176.163 177.948 -1.785 18467 165 1 . 1 1 32 32 LEU CA C 531 55.681 55.681 55.904 -0.223 18467 166 1 . 1 1 32 32 LEU CB C 531 41.417 41.417 41.481 -0.064 18467 167 1 . 1 1 32 32 LEU H H 531 7.108 7.108 7.520 -0.412 18467 168 1 . 1 1 33 33 ASN N N 532 118.731 118.731 117.117 1.614 18467 169 1 . 1 1 33 33 ASN HA H 532 4.973 4.973 4.666 0.307 18467 170 1 . 1 1 33 33 ASN C C 532 174.820 174.820 175.123 -0.302 18467 171 1 . 1 1 33 33 ASN CA C 532 52.139 52.139 53.851 -1.712 18467 172 1 . 1 1 33 33 ASN CB C 532 40.952 40.952 39.052 1.900 18467 173 1 . 1 1 33 33 ASN H H 532 7.751 7.751 8.104 -0.353 18467 174 1 . 1 1 34 34 ARG N N 533 119.562 119.562 120.258 -0.696 18467 175 1 . 1 1 34 34 ARG HA H 533 4.531 4.531 4.471 0.060 18467 176 1 . 1 1 34 34 ARG C C 533 175.355 175.355 175.220 0.135 18467 177 1 . 1 1 34 34 ARG CA C 533 55.591 55.591 55.155 0.436 18467 178 1 . 1 1 34 34 ARG CB C 533 32.007 32.007 31.715 0.292 18467 179 1 . 1 1 34 34 ARG H H 533 7.296 7.296 7.378 -0.082 18467 180 1 . 1 1 35 35 GLU N N 534 120.049 120.049 121.907 -1.858 18467 181 1 . 1 1 35 35 GLU HA H 534 4.238 4.238 4.324 -0.086 18467 182 1 . 1 1 35 35 GLU C C 534 176.281 176.281 176.261 0.020 18467 183 1 . 1 1 35 35 GLU CA C 534 57.698 57.698 56.917 0.781 18467 184 1 . 1 1 35 35 GLU CB C 534 29.807 29.807 30.137 -0.330 18467 185 1 . 1 1 35 35 GLU H H 534 8.508 8.508 8.542 -0.034 18467 186 1 . 1 1 36 36 GLY N N 535 110.987 110.987 110.696 0.291 18467 187 1 . 1 1 36 36 GLY C C 535 170.566 170.566 172.085 -1.519 18467 188 1 . 1 1 36 36 GLY CA C 535 44.853 44.853 44.797 0.056 18467 189 1 . 1 1 36 36 GLY H H 535 7.949 7.949 8.476 -0.527 18467 190 1 . 1 1 37 37 VAL N N 536 114.744 114.744 117.622 -2.878 18467 191 1 . 1 1 37 37 VAL HA H 536 4.126 4.126 4.680 -0.554 18467 192 1 . 1 1 37 37 VAL C C 536 173.026 173.026 173.710 -0.684 18467 193 1 . 1 1 37 37 VAL CA C 536 59.318 59.318 60.044 -0.726 18467 194 1 . 1 1 37 37 VAL CB C 536 33.633 33.633 33.697 -0.064 18467 195 1 . 1 1 37 37 VAL H H 536 7.189 7.189 7.771 -0.582 18467 196 1 . 1 1 38 38 TYR N N 537 117.326 117.326 123.586 -6.260 18467 197 1 . 1 1 38 38 TYR HA H 537 5.187 5.187 5.065 0.122 18467 198 1 . 1 1 38 38 TYR C C 537 176.236 176.236 174.951 1.285 18467 199 1 . 1 1 38 38 TYR CA C 537 56.755 56.755 56.703 0.052 18467 200 1 . 1 1 38 38 TYR CB C 537 42.471 42.471 42.851 -0.380 18467 201 1 . 1 1 38 38 TYR H H 537 7.491 7.491 8.164 -0.673 18467 202 1 . 1 1 39 39 THR N N 538 117.089 117.089 120.063 -2.974 18467 203 1 . 1 1 39 39 THR HA H 538 4.789 4.789 4.839 -0.050 18467 204 1 . 1 1 39 39 THR C C 538 173.433 173.433 173.667 -0.234 18467 205 1 . 1 1 39 39 THR CA C 538 62.170 62.170 62.203 -0.034 18467 206 1 . 1 1 39 39 THR CB C 538 70.774 70.774 69.486 1.288 18467 207 1 . 1 1 39 39 THR H H 538 7.902 7.902 8.535 -0.633 18467 208 1 . 1 1 40 40 VAL N N 539 126.906 126.906 128.264 -1.358 18467 209 1 . 1 1 40 40 VAL HA H 539 4.523 4.523 4.762 -0.239 18467 210 1 . 1 1 40 40 VAL C C 539 173.960 173.960 174.616 -0.656 18467 211 1 . 1 1 40 40 VAL CA C 539 61.184 61.184 61.180 0.004 18467 212 1 . 1 1 40 40 VAL CB C 539 33.968 33.968 32.665 1.303 18467 213 1 . 1 1 40 40 VAL H H 539 9.183 9.183 9.068 0.115 18467 214 1 . 1 1 41 41 PHE N N 540 128.634 128.634 128.445 0.189 18467 215 1 . 1 1 41 41 PHE HA H 540 5.332 5.332 4.805 0.527 18467 216 1 . 1 1 41 41 PHE C C 540 173.378 173.378 175.164 -1.786 18467 217 1 . 1 1 41 41 PHE CA C 540 57.718 57.718 57.572 0.146 18467 218 1 . 1 1 41 41 PHE CB C 540 38.255 38.255 39.117 -0.862 18467 219 1 . 1 1 41 41 PHE H H 540 9.084 9.084 8.812 0.272 18467 220 1 . 1 1 42 42 ALA N N 541 125.989 125.989 129.728 -3.739 18467 221 1 . 1 1 42 42 ALA HA H 541 4.499 4.499 4.803 -0.304 18467 222 1 . 1 1 42 42 ALA CA C 541 49.035 49.035 48.804 0.231 18467 223 1 . 1 1 42 42 ALA CB C 541 22.804 22.804 19.451 3.353 18467 224 1 . 1 1 42 42 ALA H H 541 8.572 8.572 8.878 -0.306 18467 225 1 . 1 1 43 43 PRO HA H 542 5.030 5.030 5.331 -0.301 18467 226 1 . 1 1 43 43 PRO C C 542 177.796 177.796 177.268 0.528 18467 227 1 . 1 1 43 43 PRO CA C 542 60.823 60.823 62.041 -1.218 18467 228 1 . 1 1 43 43 PRO CB C 542 31.462 31.462 32.590 -1.128 18467 229 1 . 1 1 44 44 THR N N 543 111.786 111.786 113.761 -1.975 18467 230 1 . 1 1 44 44 THR HA H 543 4.423 4.423 4.660 -0.237 18467 231 1 . 1 1 44 44 THR C C 543 176.323 176.323 175.952 0.371 18467 232 1 . 1 1 44 44 THR CA C 543 60.816 60.816 59.851 0.965 18467 233 1 . 1 1 44 44 THR CB C 543 71.498 71.498 70.254 1.244 18467 234 1 . 1 1 44 44 THR H H 543 7.739 7.739 8.291 -0.552 18467 235 1 . 1 1 45 45 ASN N N 544 118.432 118.432 118.396 0.036 18467 236 1 . 1 1 45 45 ASN HA H 544 4.621 4.621 4.492 0.129 18467 237 1 . 1 1 45 45 ASN C C 544 177.738 177.738 176.676 1.062 18467 238 1 . 1 1 45 45 ASN CA C 544 56.092 56.092 56.307 -0.215 18467 239 1 . 1 1 45 45 ASN CB C 544 37.329 37.329 38.549 -1.220 18467 240 1 . 1 1 45 45 ASN H H 544 8.679 8.679 8.501 0.178 18467 241 1 . 1 1 46 46 GLU N N 545 117.774 117.774 118.320 -0.546 18467 242 1 . 1 1 46 46 GLU HA H 545 3.800 3.800 4.087 -0.287 18467 243 1 . 1 1 46 46 GLU C C 545 178.277 178.277 177.129 1.149 18467 244 1 . 1 1 46 46 GLU CA C 545 60.129 60.129 58.519 1.610 18467 245 1 . 1 1 46 46 GLU CB C 545 29.254 29.254 28.978 0.276 18467 246 1 . 1 1 46 46 GLU H H 545 8.213 8.213 8.082 0.131 18467 247 1 . 1 1 47 47 ALA N N 546 121.430 121.430 121.361 0.069 18467 248 1 . 1 1 47 47 ALA HA H 546 3.965 3.965 4.231 -0.266 18467 249 1 . 1 1 47 47 ALA C C 546 180.270 180.270 179.232 1.038 18467 250 1 . 1 1 47 47 ALA CA C 546 54.894 54.894 54.191 0.703 18467 251 1 . 1 1 47 47 ALA CB C 546 19.469 19.469 18.557 0.912 18467 252 1 . 1 1 47 47 ALA H H 546 7.344 7.344 7.203 0.141 18467 253 1 . 1 1 48 48 PHE N N 547 115.617 115.617 116.265 -0.648 18467 254 1 . 1 1 48 48 PHE HA H 547 3.923 3.923 4.009 -0.086 18467 255 1 . 1 1 48 48 PHE C C 547 178.849 178.849 176.248 2.601 18467 256 1 . 1 1 48 48 PHE CA C 547 61.460 61.460 59.036 2.424 18467 257 1 . 1 1 48 48 PHE CB C 547 38.400 38.400 37.806 0.594 18467 258 1 . 1 1 48 48 PHE H H 547 7.128 7.128 6.998 0.130 18467 259 1 . 1 1 49 49 ARG N N 548 118.721 118.721 117.671 1.050 18467 260 1 . 1 1 49 49 ARG C C 548 175.961 175.961 176.556 -0.595 18467 261 1 . 1 1 49 49 ARG CA C 548 58.359 58.359 56.386 1.973 18467 262 1 . 1 1 49 49 ARG CB C 548 30.082 30.082 30.417 -0.335 18467 263 1 . 1 1 49 49 ARG H H 548 8.233 8.233 7.589 0.644 18467 264 1 . 1 1 50 50 ALA N N 549 118.911 118.911 121.664 -2.753 18467 265 1 . 1 1 50 50 ALA HA H 549 4.309 4.309 4.325 -0.016 18467 266 1 . 1 1 50 50 ALA C C 549 178.758 178.758 177.531 1.227 18467 267 1 . 1 1 50 50 ALA CA C 549 52.405 52.405 52.545 -0.140 18467 268 1 . 1 1 50 50 ALA CB C 549 18.856 18.856 19.458 -0.602 18467 269 1 . 1 1 50 50 ALA H H 549 7.166 7.166 7.532 -0.366 18467 270 1 . 1 1 51 51 LEU N N 550 119.543 119.543 120.102 -0.559 18467 271 1 . 1 1 51 51 LEU HA H 550 4.541 4.541 4.741 -0.200 18467 272 1 . 1 1 51 51 LEU CA C 550 53.504 53.504 51.988 1.516 18467 273 1 . 1 1 51 51 LEU CB C 550 41.195 41.195 42.532 -1.337 18467 274 1 . 1 1 51 51 LEU H H 550 7.130 7.130 7.374 -0.244 18467 275 1 . 1 1 52 52 PRO HA H 551 4.780 4.780 4.739 0.040 18467 276 1 . 1 1 52 52 PRO CA C 551 61.356 61.356 61.686 -0.330 18467 277 1 . 1 1 52 52 PRO CB C 551 31.589 31.589 31.563 0.026 18467 278 1 . 1 1 53 53 PRO HA H 552 4.415 4.415 4.224 0.191 18467 279 1 . 1 1 53 53 PRO CA C 552 65.934 65.934 65.641 0.292 18467 280 1 . 1 1 53 53 PRO CB C 552 32.117 32.117 31.945 0.172 18467 281 1 . 1 1 54 54 ARG C C 553 178.861 178.861 178.666 0.195 18467 282 1 . 1 1 54 54 ARG CA C 553 59.040 59.040 59.025 0.015 18467 283 1 . 1 1 54 54 ARG CB C 553 29.650 29.650 29.563 0.087 18467 284 1 . 1 1 55 55 GLU N N 554 120.619 120.619 119.693 0.926 18467 285 1 . 1 1 55 55 GLU HA H 554 4.569 4.569 4.189 0.380 18467 286 1 . 1 1 55 55 GLU CA C 554 57.913 57.913 59.126 -1.213 18467 287 1 . 1 1 55 55 GLU CB C 554 29.799 29.799 29.378 0.421 18467 288 1 . 1 1 55 55 GLU H H 554 7.713 7.713 8.005 -0.292 18467 289 1 . 1 1 56 56 TRP N N 555 120.789 120.789 121.217 -0.428 18467 290 1 . 1 1 56 56 TRP HA H 555 4.790 4.790 4.557 0.233 18467 291 1 . 1 1 56 56 TRP C C 555 176.837 176.837 178.518 -1.681 18467 292 1 . 1 1 56 56 TRP CA C 555 59.458 59.458 61.316 -1.858 18467 293 1 . 1 1 56 56 TRP CB C 555 30.606 30.606 29.710 0.897 18467 294 1 . 1 1 56 56 TRP H H 555 8.151 8.151 8.060 0.091 18467 295 1 . 1 1 57 57 SER N N 556 110.579 110.579 114.605 -4.026 18467 296 1 . 1 1 57 57 SER HA H 556 4.169 4.169 4.129 0.040 18467 297 1 . 1 1 57 57 SER C C 556 177.169 177.169 176.364 0.805 18467 298 1 . 1 1 57 57 SER CA C 556 61.964 61.964 61.769 0.195 18467 299 1 . 1 1 57 57 SER H H 556 8.263 8.263 8.639 -0.376 18467 300 1 . 1 1 58 58 ARG N N 557 122.546 122.546 120.196 2.350 18467 301 1 . 1 1 58 58 ARG CA C 557 59.314 59.314 58.401 0.913 18467 302 1 . 1 1 58 58 ARG CB C 557 30.188 30.188 30.084 0.104 18467 303 1 . 1 1 58 58 ARG H H 557 7.594 7.594 7.461 0.132 18467 304 1 . 1 1 59 59 LEU N N 558 120.695 120.695 120.644 0.051 18467 305 1 . 1 1 59 59 LEU HA H 558 3.902 3.902 3.949 -0.047 18467 306 1 . 1 1 59 59 LEU C C 558 178.293 178.293 179.155 -0.862 18467 307 1 . 1 1 59 59 LEU CA C 558 57.989 57.989 57.358 0.631 18467 308 1 . 1 1 59 59 LEU CB C 558 41.974 41.974 41.506 0.468 18467 309 1 . 1 1 59 59 LEU H H 558 8.143 8.143 7.593 0.550 18467 310 1 . 1 1 60 60 LEU N N 559 115.713 115.713 115.835 -0.122 18467 311 1 . 1 1 60 60 LEU HA H 559 3.643 3.643 4.032 -0.389 18467 312 1 . 1 1 60 60 LEU C C 559 178.818 178.818 178.424 0.394 18467 313 1 . 1 1 60 60 LEU CA C 559 56.773 56.773 56.382 0.391 18467 314 1 . 1 1 60 60 LEU CB C 559 41.434 41.434 41.062 0.372 18467 315 1 . 1 1 60 60 LEU H H 559 7.725 7.725 7.972 -0.247 18467 316 1 . 1 1 61 61 GLY N N 560 103.312 103.312 106.131 -2.819 18467 317 1 . 1 1 61 61 GLY C C 560 173.364 173.364 173.930 -0.566 18467 318 1 . 1 1 61 61 GLY CA C 560 45.029 45.029 45.062 -0.033 18467 319 1 . 1 1 61 61 GLY H H 560 7.311 7.311 7.519 -0.208 18467 320 1 . 1 1 62 62 ASP N N 561 122.455 122.455 119.765 2.690 18467 321 1 . 1 1 62 62 ASP HA H 561 4.847 4.847 4.805 0.042 18467 322 1 . 1 1 62 62 ASP C C 561 173.909 173.909 175.504 -1.595 18467 323 1 . 1 1 62 62 ASP CA C 561 52.302 52.302 52.912 -0.610 18467 324 1 . 1 1 62 62 ASP CB C 561 41.362 41.362 43.383 -2.021 18467 325 1 . 1 1 62 62 ASP H H 561 7.532 7.532 7.747 -0.215 18467 326 1 . 1 1 63 63 ALA N N 562 125.643 125.643 128.133 -2.490 18467 327 1 . 1 1 63 63 ALA HA H 562 4.019 4.019 4.080 -0.061 18467 328 1 . 1 1 63 63 ALA C C 562 180.109 180.109 178.945 1.164 18467 329 1 . 1 1 63 63 ALA CA C 562 55.660 55.660 55.148 0.512 18467 330 1 . 1 1 63 63 ALA CB C 562 18.980 18.980 19.143 -0.163 18467 331 1 . 1 1 63 63 ALA H H 562 8.372 8.372 8.733 -0.361 18467 332 1 . 1 1 64 64 LYS N N 563 117.354 117.354 117.617 -0.263 18467 333 1 . 1 1 64 64 LYS HA H 563 4.116 4.116 4.044 0.072 18467 334 1 . 1 1 64 64 LYS C C 563 179.293 179.293 178.661 0.632 18467 335 1 . 1 1 64 64 LYS CA C 563 59.459 59.459 58.885 0.575 18467 336 1 . 1 1 64 64 LYS CB C 563 32.165 32.165 31.686 0.479 18467 337 1 . 1 1 64 64 LYS H H 563 8.111 8.111 8.153 -0.042 18467 338 1 . 1 1 65 65 GLU N N 564 120.953 120.953 120.396 0.557 18467 339 1 . 1 1 65 65 GLU HA H 564 4.207 4.207 4.079 0.128 18467 340 1 . 1 1 65 65 GLU C C 564 179.679 179.679 178.651 1.028 18467 341 1 . 1 1 65 65 GLU CA C 564 58.683 58.683 58.739 -0.056 18467 342 1 . 1 1 65 65 GLU CB C 564 29.403 29.403 29.362 0.041 18467 343 1 . 1 1 65 65 GLU H H 564 7.725 7.725 7.968 -0.243 18467 344 1 . 1 1 66 66 LEU N N 565 120.534 120.534 120.793 -0.259 18467 345 1 . 1 1 66 66 LEU HA H 565 4.117 4.117 3.838 0.279 18467 346 1 . 1 1 66 66 LEU C C 565 178.692 178.692 178.335 0.357 18467 347 1 . 1 1 66 66 LEU CA C 565 57.883 57.883 57.590 0.293 18467 348 1 . 1 1 66 66 LEU CB C 565 40.916 40.916 41.667 -0.751 18467 349 1 . 1 1 66 66 LEU H H 565 8.668 8.668 8.004 0.664 18467 350 1 . 1 1 67 67 ALA N N 566 119.170 119.170 120.531 -1.361 18467 351 1 . 1 1 67 67 ALA HA H 566 3.904 3.904 3.829 0.075 18467 352 1 . 1 1 67 67 ALA C C 566 179.042 179.042 179.387 -0.345 18467 353 1 . 1 1 67 67 ALA CA C 566 55.916 55.916 55.234 0.682 18467 354 1 . 1 1 67 67 ALA CB C 566 17.972 17.972 17.862 0.110 18467 355 1 . 1 1 67 67 ALA H H 566 8.474 8.474 8.559 -0.085 18467 356 1 . 1 1 68 68 ASN N N 567 115.725 115.725 117.060 -1.335 18467 357 1 . 1 1 68 68 ASN HA H 567 4.479 4.479 4.448 0.031 18467 358 1 . 1 1 68 68 ASN CA C 567 57.014 57.014 56.101 0.913 18467 359 1 . 1 1 68 68 ASN CB C 567 38.597 38.597 38.284 0.313 18467 360 1 . 1 1 68 68 ASN H H 567 7.555 7.555 7.788 -0.233 18467 361 1 . 1 1 69 69 ILE N N 568 118.231 118.231 118.556 -0.325 18467 362 1 . 1 1 69 69 ILE HA H 568 4.125 4.125 3.965 0.160 18467 363 1 . 1 1 69 69 ILE C C 568 179.766 179.766 178.372 1.394 18467 364 1 . 1 1 69 69 ILE CA C 568 64.168 64.168 63.975 0.193 18467 365 1 . 1 1 69 69 ILE CB C 568 38.547 38.547 38.323 0.224 18467 366 1 . 1 1 69 69 ILE H H 568 7.832 7.832 7.389 0.443 18467 367 1 . 1 1 70 70 LEU N N 569 120.962 120.962 121.317 -0.355 18467 368 1 . 1 1 70 70 LEU HA H 569 4.114 4.114 3.884 0.230 18467 369 1 . 1 1 70 70 LEU C C 569 179.633 179.633 178.998 0.635 18467 370 1 . 1 1 70 70 LEU CA C 569 58.463 58.463 57.698 0.765 18467 371 1 . 1 1 70 70 LEU CB C 569 42.056 42.056 41.361 0.695 18467 372 1 . 1 1 70 70 LEU H H 569 8.705 8.705 8.260 0.445 18467 373 1 . 1 1 71 71 LYS N N 570 116.318 116.318 118.291 -1.973 18467 374 1 . 1 1 71 71 LYS HA H 570 3.933 3.933 4.079 -0.146 18467 375 1 . 1 1 71 71 LYS C C 570 177.691 177.691 178.455 -0.764 18467 376 1 . 1 1 71 71 LYS CA C 570 60.750 60.750 58.874 1.876 18467 377 1 . 1 1 71 71 LYS CB C 570 32.439 32.439 32.362 0.076 18467 378 1 . 1 1 71 71 LYS H H 570 8.889 8.889 8.091 0.798 18467 379 1 . 1 1 72 72 TYR N N 571 119.628 119.628 118.686 0.942 18467 380 1 . 1 1 72 72 TYR HA H 571 4.596 4.596 4.494 0.102 18467 381 1 . 1 1 72 72 TYR C C 571 171.958 171.958 175.846 -3.888 18467 382 1 . 1 1 72 72 TYR CA C 571 59.022 59.022 59.164 -0.142 18467 383 1 . 1 1 72 72 TYR CB C 571 38.970 38.970 38.597 0.373 18467 384 1 . 1 1 72 72 TYR H H 571 7.557 7.557 8.055 -0.498 18467 385 1 . 1 1 73 73 HIS N N 572 108.692 108.692 116.026 -7.334 18467 386 1 . 1 1 73 73 HIS HA H 572 4.206 4.206 4.439 -0.233 18467 387 1 . 1 1 73 73 HIS C C 572 173.668 173.668 174.559 -0.891 18467 388 1 . 1 1 73 73 HIS CA C 572 58.880 58.880 58.032 0.848 18467 389 1 . 1 1 73 73 HIS CB C 572 28.164 28.164 30.128 -1.964 18467 390 1 . 1 1 73 73 HIS H H 572 7.583 7.583 7.703 -0.120 18467 391 1 . 1 1 74 74 ILE N N 573 117.585 117.585 119.075 -1.490 18467 392 1 . 1 1 74 74 ILE HA H 573 5.236 5.236 4.641 0.595 18467 393 1 . 1 1 74 74 ILE C C 573 175.634 175.634 175.266 0.368 18467 394 1 . 1 1 74 74 ILE CA C 573 59.501 59.501 60.135 -0.634 18467 395 1 . 1 1 74 74 ILE CB C 573 40.955 40.955 39.702 1.253 18467 396 1 . 1 1 74 74 ILE H H 573 7.283 7.283 7.177 0.106 18467 397 1 . 1 1 75 75 GLY N N 574 111.783 111.783 112.788 -1.006 18467 398 1 . 1 1 75 75 GLY C C 574 173.914 173.914 175.069 -1.155 18467 399 1 . 1 1 75 75 GLY CA C 574 43.960 43.960 43.854 0.106 18467 400 1 . 1 1 75 75 GLY H H 574 10.218 10.218 9.004 1.214 18467 401 1 . 1 1 76 76 ASP N N 575 120.537 120.537 119.933 0.604 18467 402 1 . 1 1 76 76 ASP HA H 575 4.759 4.759 4.533 0.227 18467 403 1 . 1 1 76 76 ASP C C 575 174.756 174.756 175.550 -0.794 18467 404 1 . 1 1 76 76 ASP CA C 575 53.707 53.707 55.736 -2.029 18467 405 1 . 1 1 76 76 ASP CB C 575 41.029 41.029 41.592 -0.563 18467 406 1 . 1 1 76 76 ASP H H 575 8.361 8.361 8.527 -0.166 18467 407 1 . 1 1 77 77 GLU N N 576 114.270 114.270 114.978 -0.708 18467 408 1 . 1 1 77 77 GLU HA H 576 4.472 4.472 4.530 -0.058 18467 409 1 . 1 1 77 77 GLU CA C 576 54.500 54.500 54.149 0.351 18467 410 1 . 1 1 77 77 GLU CB C 576 33.422 33.422 32.229 1.193 18467 411 1 . 1 1 77 77 GLU H H 576 7.266 7.266 7.740 -0.474 18467 412 1 . 1 1 78 78 ILE N N 577 120.961 120.961 121.170 -0.209 18467 413 1 . 1 1 78 78 ILE HA H 577 3.570 3.570 4.556 -0.986 18467 414 1 . 1 1 78 78 ILE C C 577 174.815 174.815 175.597 -0.782 18467 415 1 . 1 1 78 78 ILE CA C 577 62.347 62.347 61.291 1.056 18467 416 1 . 1 1 78 78 ILE CB C 577 38.390 38.390 38.039 0.351 18467 417 1 . 1 1 78 78 ILE H H 577 8.514 8.514 8.566 -0.052 18467 418 1 . 1 1 79 79 LEU N N 578 132.660 132.660 131.566 1.095 18467 419 1 . 1 1 79 79 LEU HA H 578 4.779 4.779 4.693 0.086 18467 420 1 . 1 1 79 79 LEU C C 578 174.161 174.161 175.406 -1.244 18467 421 1 . 1 1 79 79 LEU CA C 578 53.881 53.881 53.470 0.411 18467 422 1 . 1 1 79 79 LEU CB C 578 44.088 44.088 42.822 1.266 18467 423 1 . 1 1 79 79 LEU H H 578 7.973 7.973 8.908 -0.935 18467 424 1 . 1 1 80 80 VAL N N 579 118.506 118.506 119.818 -1.312 18467 425 1 . 1 1 80 80 VAL HA H 579 4.767 4.767 4.465 0.303 18467 426 1 . 1 1 80 80 VAL C C 579 178.415 178.415 177.001 1.413 18467 427 1 . 1 1 80 80 VAL CA C 579 59.505 59.505 60.800 -1.295 18467 428 1 . 1 1 80 80 VAL CB C 579 33.491 33.491 32.992 0.499 18467 429 1 . 1 1 80 80 VAL H H 579 7.968 7.968 7.960 0.008 18467 430 1 . 1 1 81 81 SER N N 580 121.910 121.910 117.926 3.984 18467 431 1 . 1 1 81 81 SER HA H 580 3.828 3.828 4.248 -0.420 18467 432 1 . 1 1 81 81 SER C C 580 177.014 177.014 176.046 0.968 18467 433 1 . 1 1 81 81 SER CA C 580 62.856 62.856 61.713 1.143 18467 434 1 . 1 1 81 81 SER CB C 580 62.118 62.118 62.966 -0.848 18467 435 1 . 1 1 81 81 SER H H 580 11.091 11.091 9.320 1.771 18467 436 1 . 1 1 82 82 GLY N N 581 107.507 107.507 106.782 0.725 18467 437 1 . 1 1 82 82 GLY C C 581 174.753 174.753 175.177 -0.424 18467 438 1 . 1 1 82 82 GLY CA C 581 45.933 45.933 45.669 0.264 18467 439 1 . 1 1 82 82 GLY H H 581 8.283 8.283 8.383 -0.100 18467 440 1 . 1 1 83 83 GLY N N 582 107.844 107.844 108.244 -0.400 18467 441 1 . 1 1 83 83 GLY C C 582 174.383 174.383 174.782 -0.399 18467 442 1 . 1 1 83 83 GLY CA C 582 44.437 44.437 44.296 0.141 18467 443 1 . 1 1 83 83 GLY H H 582 8.244 8.244 7.889 0.355 18467 444 1 . 1 1 84 84 ILE N N 583 120.981 120.981 122.990 -2.009 18467 445 1 . 1 1 84 84 ILE HA H 583 3.820 3.820 3.852 -0.032 18467 446 1 . 1 1 84 84 ILE C C 583 175.634 175.634 175.652 -0.019 18467 447 1 . 1 1 84 84 ILE CA C 583 62.879 62.879 62.498 0.381 18467 448 1 . 1 1 84 84 ILE CB C 583 39.028 39.028 36.920 2.108 18467 449 1 . 1 1 84 84 ILE H H 583 7.307 7.307 7.474 -0.167 18467 450 1 . 1 1 85 85 GLY N N 584 112.078 112.078 112.352 -0.274 18467 451 1 . 1 1 85 85 GLY C C 584 173.113 173.113 173.882 -0.769 18467 452 1 . 1 1 85 85 GLY CA C 584 45.639 45.639 45.122 0.517 18467 453 1 . 1 1 85 85 GLY H H 584 7.953 7.953 7.791 0.162 18467 454 1 . 1 1 86 86 ALA N N 585 125.109 125.109 123.598 1.511 18467 455 1 . 1 1 86 86 ALA HA H 585 4.312 4.312 4.314 -0.002 18467 456 1 . 1 1 86 86 ALA C C 585 177.336 177.336 176.420 0.916 18467 457 1 . 1 1 86 86 ALA CA C 585 54.080 54.080 53.676 0.404 18467 458 1 . 1 1 86 86 ALA CB C 585 19.745 19.745 19.470 0.276 18467 459 1 . 1 1 86 86 ALA H H 585 8.295 8.295 8.335 -0.040 18467 460 1 . 1 1 87 87 LEU N N 586 118.488 118.488 118.012 0.476 18467 461 1 . 1 1 87 87 LEU HA H 586 4.716 4.716 5.176 -0.460 18467 462 1 . 1 1 87 87 LEU C C 586 175.578 175.578 174.983 0.595 18467 463 1 . 1 1 87 87 LEU CA C 586 56.100 56.100 54.584 1.516 18467 464 1 . 1 1 87 87 LEU CB C 586 43.651 43.651 45.153 -1.502 18467 465 1 . 1 1 87 87 LEU H H 586 7.801 7.801 7.695 0.106 18467 466 1 . 1 1 88 88 VAL N N 587 127.976 127.976 126.023 1.953 18467 467 1 . 1 1 88 88 VAL HA H 587 4.308 4.308 4.495 -0.187 18467 468 1 . 1 1 88 88 VAL C C 587 174.142 174.142 174.001 0.141 18467 469 1 . 1 1 88 88 VAL CA C 587 61.428 61.428 60.523 0.905 18467 470 1 . 1 1 88 88 VAL CB C 587 35.784 35.784 35.386 0.398 18467 471 1 . 1 1 88 88 VAL H H 587 9.510 9.510 9.204 0.306 18467 472 1 . 1 1 89 89 ARG N N 588 125.359 125.359 127.156 -1.797 18467 473 1 . 1 1 89 89 ARG HA H 588 5.257 5.257 5.276 -0.019 18467 474 1 . 1 1 89 89 ARG C C 588 175.003 175.003 175.185 -0.182 18467 475 1 . 1 1 89 89 ARG CA C 588 54.807 54.807 54.539 0.268 18467 476 1 . 1 1 89 89 ARG H H 588 8.622 8.622 8.448 0.174 18467 477 1 . 1 1 90 90 LEU N N 589 127.862 127.862 125.844 2.018 18467 478 1 . 1 1 90 90 LEU HA H 589 4.572 4.572 4.689 -0.117 18467 479 1 . 1 1 90 90 LEU C C 589 174.955 174.955 175.445 -0.490 18467 480 1 . 1 1 90 90 LEU CA C 589 53.115 53.115 53.361 -0.246 18467 481 1 . 1 1 90 90 LEU CB C 589 46.021 46.021 45.559 0.462 18467 482 1 . 1 1 90 90 LEU H H 589 8.830 8.830 8.826 0.004 18467 483 1 . 1 1 91 91 LYS N N 590 129.215 129.215 126.043 3.172 18467 484 1 . 1 1 91 91 LYS HA H 590 4.062 4.062 4.586 -0.524 18467 485 1 . 1 1 91 91 LYS C C 590 174.635 174.635 176.581 -1.946 18467 486 1 . 1 1 91 91 LYS CA C 590 58.307 58.307 56.606 1.701 18467 487 1 . 1 1 91 91 LYS CB C 590 32.514 32.514 33.205 -0.692 18467 488 1 . 1 1 91 91 LYS H H 590 9.429 9.429 8.810 0.619 18467 489 1 . 1 1 92 92 SER N N 591 121.512 121.512 118.070 3.442 18467 490 1 . 1 1 92 92 SER HA H 591 5.581 5.581 5.215 0.366 18467 491 1 . 1 1 92 92 SER C C 591 178.007 178.007 175.610 2.397 18467 492 1 . 1 1 92 92 SER CA C 591 58.234 58.234 56.538 1.697 18467 493 1 . 1 1 92 92 SER CB C 591 67.287 67.287 65.893 1.394 18467 494 1 . 1 1 92 92 SER H H 591 7.995 7.995 8.644 -0.649 18467 495 1 . 1 1 93 93 LEU N N 592 121.124 121.124 119.772 1.352 18467 496 1 . 1 1 93 93 LEU HA H 592 4.300 4.300 4.313 -0.013 18467 497 1 . 1 1 93 93 LEU C C 592 178.518 178.518 178.809 -0.291 18467 498 1 . 1 1 93 93 LEU CA C 592 57.245 57.245 56.927 0.318 18467 499 1 . 1 1 93 93 LEU CB C 592 41.313 41.313 41.882 -0.569 18467 500 1 . 1 1 93 93 LEU H H 592 9.336 9.336 8.402 0.934 18467 501 1 . 1 1 94 94 GLN N N 593 118.739 118.739 118.158 0.581 18467 502 1 . 1 1 94 94 GLN HA H 593 4.249 4.249 4.146 0.103 18467 503 1 . 1 1 94 94 GLN C C 593 176.082 176.082 177.217 -1.135 18467 504 1 . 1 1 94 94 GLN CA C 593 56.540 56.540 57.602 -1.062 18467 505 1 . 1 1 94 94 GLN CB C 593 27.654 27.654 29.632 -1.978 18467 506 1 . 1 1 94 94 GLN H H 593 7.491 7.491 7.828 -0.337 18467 507 1 . 1 1 95 95 GLY N N 594 109.382 109.382 105.697 3.685 18467 508 1 . 1 1 95 95 GLY C C 594 174.393 174.393 173.840 0.553 18467 509 1 . 1 1 95 95 GLY CA C 594 45.457 45.457 44.704 0.753 18467 510 1 . 1 1 95 95 GLY H H 594 7.631 7.631 7.881 -0.251 18467 511 1 . 1 1 96 96 ASP N N 595 121.087 121.087 121.487 -0.400 18467 512 1 . 1 1 96 96 ASP HA H 595 4.863 4.863 4.919 -0.056 18467 513 1 . 1 1 96 96 ASP C C 595 177.273 177.273 174.499 2.774 18467 514 1 . 1 1 96 96 ASP CA C 595 54.520 54.520 53.013 1.507 18467 515 1 . 1 1 96 96 ASP CB C 595 41.277 41.277 43.071 -1.794 18467 516 1 . 1 1 96 96 ASP H H 595 8.650 8.650 8.126 0.524 18467 517 1 . 1 1 97 97 LYS N N 596 119.713 119.713 118.264 1.449 18467 518 1 . 1 1 97 97 LYS HA H 596 5.025 5.025 4.831 0.194 18467 519 1 . 1 1 97 97 LYS C C 596 176.566 176.566 175.906 0.660 18467 520 1 . 1 1 97 97 LYS CA C 596 56.274 56.274 55.001 1.273 18467 521 1 . 1 1 97 97 LYS CB C 596 33.771 33.771 34.454 -0.683 18467 522 1 . 1 1 97 97 LYS H H 596 9.028 9.028 8.379 0.649 18467 523 1 . 1 1 98 98 LEU N N 597 125.754 125.754 125.523 0.231 18467 524 1 . 1 1 98 98 LEU HA H 597 4.398 4.398 4.660 -0.262 18467 525 1 . 1 1 98 98 LEU C C 597 176.144 176.144 176.517 -0.373 18467 526 1 . 1 1 98 98 LEU CA C 597 53.899 53.899 54.142 -0.243 18467 527 1 . 1 1 98 98 LEU CB C 597 45.148 45.148 42.216 2.932 18467 528 1 . 1 1 98 98 LEU H H 597 9.336 9.336 9.219 0.117 18467 529 1 . 1 1 99 99 GLU N N 598 121.101 121.101 126.219 -5.118 18467 530 1 . 1 1 99 99 GLU HA H 598 4.662 4.662 4.454 0.208 18467 531 1 . 1 1 99 99 GLU C C 598 175.132 175.132 175.401 -0.269 18467 532 1 . 1 1 99 99 GLU CA C 598 55.714 55.714 55.576 0.138 18467 533 1 . 1 1 99 99 GLU CB C 598 30.542 30.542 29.733 0.809 18467 534 1 . 1 1 99 99 GLU H H 598 8.368 8.368 8.919 -0.551 18467 535 1 . 1 1 100 100 VAL N N 599 130.595 130.595 127.843 2.752 18467 536 1 . 1 1 100 100 VAL HA H 599 5.046 5.046 4.685 0.360 18467 537 1 . 1 1 100 100 VAL C C 599 173.759 173.759 174.827 -1.068 18467 538 1 . 1 1 100 100 VAL CA C 599 61.081 61.081 61.118 -0.037 18467 539 1 . 1 1 100 100 VAL CB C 599 32.873 32.873 32.944 -0.071 18467 540 1 . 1 1 100 100 VAL H H 599 9.337 9.337 8.426 0.911 18467 541 1 . 1 1 101 101 SER N N 600 119.887 119.887 121.812 -1.925 18467 542 1 . 1 1 101 101 SER HA H 600 4.943 4.943 5.057 -0.114 18467 543 1 . 1 1 101 101 SER C C 600 171.934 171.934 172.390 -0.456 18467 544 1 . 1 1 101 101 SER CA C 600 56.540 56.540 56.463 0.077 18467 545 1 . 1 1 101 101 SER CB C 600 67.405 67.405 65.929 1.476 18467 546 1 . 1 1 101 101 SER H H 600 9.033 9.033 8.936 0.097 18467 547 1 . 1 1 102 102 LEU N N 601 123.007 123.007 125.380 -2.373 18467 548 1 . 1 1 102 102 LEU HA H 601 5.047 5.047 5.103 -0.056 18467 549 1 . 1 1 102 102 LEU C C 601 175.767 175.767 174.667 1.100 18467 550 1 . 1 1 102 102 LEU CA C 601 54.324 54.324 54.358 -0.034 18467 551 1 . 1 1 102 102 LEU CB C 601 45.374 45.374 45.156 0.218 18467 552 1 . 1 1 102 102 LEU H H 601 7.930 7.930 8.539 -0.609 18467 553 1 . 1 1 103 103 LYS N N 602 126.480 126.480 126.425 0.055 18467 554 1 . 1 1 103 103 LYS HA H 602 4.457 4.457 4.605 -0.148 18467 555 1 . 1 1 103 103 LYS CA C 602 55.707 55.707 55.833 -0.126 18467 556 1 . 1 1 103 103 LYS CB C 602 35.032 35.032 34.452 0.580 18467 557 1 . 1 1 103 103 LYS H H 602 8.335 8.335 8.937 -0.602 18467 558 1 . 1 1 104 104 ASN HA H 603 4.296 4.296 4.402 -0.106 18467 559 1 . 1 1 104 104 ASN C C 603 174.156 174.156 174.691 -0.535 18467 560 1 . 1 1 104 104 ASN CA C 603 54.724 54.724 53.992 0.732 18467 561 1 . 1 1 104 104 ASN CB C 603 37.168 37.168 37.303 -0.135 18467 562 1 . 1 1 105 105 ASN N N 604 108.763 108.763 111.704 -2.941 18467 563 1 . 1 1 105 105 ASN HA H 604 4.167 4.167 4.306 -0.139 18467 564 1 . 1 1 105 105 ASN C C 604 173.754 173.754 173.679 0.075 18467 565 1 . 1 1 105 105 ASN CA C 604 55.146 55.146 54.610 0.536 18467 566 1 . 1 1 105 105 ASN CB C 604 38.249 38.249 38.369 -0.120 18467 567 1 . 1 1 105 105 ASN H H 604 8.682 8.682 8.502 0.180 18467 568 1 . 1 1 106 106 VAL N N 605 121.612 121.612 120.292 1.320 18467 569 1 . 1 1 106 106 VAL HA H 605 4.285 4.285 4.232 0.053 18467 570 1 . 1 1 106 106 VAL C C 605 176.332 176.332 175.207 1.125 18467 571 1 . 1 1 106 106 VAL CA C 605 62.112 62.112 61.396 0.716 18467 572 1 . 1 1 106 106 VAL CB C 605 34.425 34.425 32.699 1.726 18467 573 1 . 1 1 106 106 VAL H H 605 7.906 7.906 7.548 0.358 18467 574 1 . 1 1 107 107 VAL N N 606 133.233 133.233 129.368 3.865 18467 575 1 . 1 1 107 107 VAL HA H 606 4.615 4.615 4.762 -0.147 18467 576 1 . 1 1 107 107 VAL C C 606 174.697 174.697 175.760 -1.063 18467 577 1 . 1 1 107 107 VAL CA C 606 61.712 61.712 61.895 -0.183 18467 578 1 . 1 1 107 107 VAL CB C 606 32.254 32.254 32.898 -0.644 18467 579 1 . 1 1 107 107 VAL H H 606 9.422 9.422 8.613 0.809 18467 580 1 . 1 1 108 108 SER N N 607 120.829 120.829 122.932 -2.103 18467 581 1 . 1 1 108 108 SER HA H 607 5.360 5.360 5.211 0.149 18467 582 1 . 1 1 108 108 SER C C 607 171.938 171.938 172.947 -1.009 18467 583 1 . 1 1 108 108 SER CA C 607 57.031 57.031 57.240 -0.209 18467 584 1 . 1 1 108 108 SER CB C 607 66.490 66.490 64.862 1.629 18467 585 1 . 1 1 108 108 SER H H 607 9.113 9.113 9.151 -0.038 18467 586 1 . 1 1 109 109 VAL N N 608 121.130 121.130 124.416 -3.286 18467 587 1 . 1 1 109 109 VAL HA H 608 4.797 4.797 4.592 0.205 18467 588 1 . 1 1 109 109 VAL C C 608 173.930 173.930 174.761 -0.831 18467 589 1 . 1 1 109 109 VAL CA C 608 57.351 57.351 59.680 -2.329 18467 590 1 . 1 1 109 109 VAL CB C 608 33.964 33.964 33.526 0.438 18467 591 1 . 1 1 109 109 VAL H H 608 9.120 9.120 8.860 0.260 18467 592 1 . 1 1 110 110 ASN N N 609 128.284 128.284 126.903 1.382 18467 593 1 . 1 1 110 110 ASN HA H 609 4.271 4.271 4.343 -0.072 18467 594 1 . 1 1 110 110 ASN C C 609 175.369 175.369 174.734 0.635 18467 595 1 . 1 1 110 110 ASN CA C 609 54.004 54.004 54.575 -0.571 18467 596 1 . 1 1 110 110 ASN CB C 609 35.927 35.927 36.450 -0.523 18467 597 1 . 1 1 110 110 ASN H H 609 9.777 9.777 8.965 0.812 18467 598 1 . 1 1 111 111 LYS N N 610 107.711 107.711 110.835 -3.124 18467 599 1 . 1 1 111 111 LYS HA H 610 3.660 3.660 3.955 -0.295 18467 600 1 . 1 1 111 111 LYS C C 610 175.573 175.573 175.512 0.061 18467 601 1 . 1 1 111 111 LYS CA C 610 58.404 58.404 57.964 0.440 18467 602 1 . 1 1 111 111 LYS CB C 610 30.549 30.549 31.242 -0.693 18467 603 1 . 1 1 111 111 LYS H H 610 8.290 8.290 8.152 0.138 18467 604 1 . 1 1 112 112 GLU N N 611 125.822 125.822 119.810 6.012 18467 605 1 . 1 1 112 112 GLU HA H 611 4.763 4.763 4.749 0.014 18467 606 1 . 1 1 112 112 GLU CA C 611 52.981 52.981 53.351 -0.370 18467 607 1 . 1 1 112 112 GLU CB C 611 29.509 29.509 30.286 -0.777 18467 608 1 . 1 1 112 112 GLU H H 611 8.595 8.595 7.698 0.897 18467 609 1 . 1 1 113 113 PRO HA H 612 4.682 4.682 4.765 -0.083 18467 610 1 . 1 1 113 113 PRO C C 612 177.310 177.310 176.278 1.032 18467 611 1 . 1 1 113 113 PRO CA C 612 62.649 62.649 62.600 0.049 18467 612 1 . 1 1 113 113 PRO CB C 612 32.139 32.139 32.069 0.070 18467 613 1 . 1 1 114 114 VAL N N 613 124.773 124.773 123.221 1.552 18467 614 1 . 1 1 114 114 VAL HA H 613 4.274 4.274 4.101 0.173 18467 615 1 . 1 1 114 114 VAL C C 613 176.558 176.558 176.171 0.386 18467 616 1 . 1 1 114 114 VAL CA C 613 62.350 62.350 61.856 0.494 18467 617 1 . 1 1 114 114 VAL CB C 613 32.473 32.473 32.490 -0.017 18467 618 1 . 1 1 114 114 VAL H H 613 9.214 9.214 8.643 0.571 18467 619 1 . 1 1 115 115 ALA N N 614 132.583 132.583 131.314 1.269 18467 620 1 . 1 1 115 115 ALA HA H 614 4.321 4.321 4.368 -0.047 18467 621 1 . 1 1 115 115 ALA C C 614 178.354 178.354 177.363 0.991 18467 622 1 . 1 1 115 115 ALA CA C 614 53.995 53.995 53.619 0.376 18467 623 1 . 1 1 115 115 ALA CB C 614 19.616 19.616 19.967 -0.351 18467 624 1 . 1 1 115 115 ALA H H 614 8.935 8.935 9.048 -0.113 18467 625 1 . 1 1 116 116 GLU N N 615 115.172 115.172 118.085 -2.913 18467 626 1 . 1 1 116 116 GLU HA H 615 4.866 4.866 4.854 0.012 18467 627 1 . 1 1 116 116 GLU CA C 615 53.432 53.432 52.865 0.567 18467 628 1 . 1 1 116 116 GLU CB C 615 31.554 31.554 31.301 0.253 18467 629 1 . 1 1 116 116 GLU H H 615 6.867 6.867 7.921 -1.054 18467 630 1 . 1 1 117 117 PRO HA H 616 5.651 5.651 4.739 0.912 18467 631 1 . 1 1 117 117 PRO C C 616 177.099 177.099 176.743 0.356 18467 632 1 . 1 1 117 117 PRO CA C 616 61.960 61.960 63.127 -1.167 18467 633 1 . 1 1 117 117 PRO CB C 616 33.618 33.618 32.591 1.027 18467 634 1 . 1 1 118 118 ASP N N 617 114.290 114.290 117.523 -3.233 18467 635 1 . 1 1 118 118 ASP HA H 617 3.881 3.881 4.149 -0.268 18467 636 1 . 1 1 118 118 ASP C C 617 174.967 174.967 176.272 -1.305 18467 637 1 . 1 1 118 118 ASP CA C 617 54.921 54.921 55.256 -0.335 18467 638 1 . 1 1 118 118 ASP CB C 617 37.857 37.857 40.448 -2.591 18467 639 1 . 1 1 118 118 ASP H H 617 9.727 9.727 7.859 1.868 18467 640 1 . 1 1 119 119 ILE N N 618 121.048 121.048 120.093 0.955 18467 641 1 . 1 1 119 119 ILE HA H 618 4.037 4.037 4.124 -0.087 18467 642 1 . 1 1 119 119 ILE C C 618 175.869 175.869 175.346 0.523 18467 643 1 . 1 1 119 119 ILE CA C 618 62.807 62.807 60.601 2.206 18467 644 1 . 1 1 119 119 ILE CB C 618 36.618 36.618 37.127 -0.509 18467 645 1 . 1 1 119 119 ILE H H 618 8.750 8.750 8.153 0.597 18467 646 1 . 1 1 120 120 MET N N 619 125.674 125.674 126.693 -1.019 18467 647 1 . 1 1 120 120 MET HA H 619 4.601 4.601 4.464 0.137 18467 648 1 . 1 1 120 120 MET C C 619 174.817 174.817 175.469 -0.651 18467 649 1 . 1 1 120 120 MET CA C 619 54.936 54.936 55.682 -0.746 18467 650 1 . 1 1 120 120 MET CB C 619 31.313 31.313 33.242 -1.929 18467 651 1 . 1 1 120 120 MET H H 619 8.080 8.080 8.114 -0.034 18467 652 1 . 1 1 121 121 ALA N N 620 122.849 122.849 125.111 -2.262 18467 653 1 . 1 1 121 121 ALA HA H 620 4.902 4.902 4.746 0.156 18467 654 1 . 1 1 121 121 ALA C C 620 177.908 177.908 177.975 -0.067 18467 655 1 . 1 1 121 121 ALA CA C 620 49.986 49.986 50.436 -0.450 18467 656 1 . 1 1 121 121 ALA CB C 620 23.115 23.115 21.327 1.788 18467 657 1 . 1 1 121 121 ALA H H 620 8.377 8.377 8.566 -0.189 18467 658 1 . 1 1 122 122 THR N N 621 111.104 111.104 112.709 -1.605 18467 659 1 . 1 1 122 122 THR HA H 621 4.051 4.051 4.185 -0.134 18467 660 1 . 1 1 122 122 THR C C 621 176.320 176.320 174.985 1.335 18467 661 1 . 1 1 122 122 THR CA C 621 64.524 64.524 64.457 0.067 18467 662 1 . 1 1 122 122 THR CB C 621 68.391 68.391 68.863 -0.472 18467 663 1 . 1 1 122 122 THR H H 621 9.183 9.183 8.519 0.664 18467 664 1 . 1 1 123 123 ASN N N 622 117.445 117.445 116.801 0.644 18467 665 1 . 1 1 123 123 ASN HA H 622 5.030 5.030 4.959 0.071 18467 666 1 . 1 1 123 123 ASN C C 622 173.263 173.263 174.391 -1.128 18467 667 1 . 1 1 123 123 ASN CA C 622 51.203 51.203 52.233 -1.030 18467 668 1 . 1 1 123 123 ASN CB C 622 37.076 37.076 38.958 -1.882 18467 669 1 . 1 1 123 123 ASN H H 622 7.969 7.969 8.133 -0.164 18467 670 1 . 1 1 124 124 GLY N N 623 102.705 102.705 107.001 -4.296 18467 671 1 . 1 1 124 124 GLY C C 623 169.925 169.925 171.735 -1.810 18467 672 1 . 1 1 124 124 GLY CA C 623 46.709 46.709 45.310 1.399 18467 673 1 . 1 1 124 124 GLY H H 623 6.921 6.921 7.302 -0.381 18467 674 1 . 1 1 125 125 VAL N N 624 119.913 119.913 119.108 0.805 18467 675 1 . 1 1 125 125 VAL HA H 624 4.877 4.877 4.507 0.370 18467 676 1 . 1 1 125 125 VAL C C 624 170.887 170.887 173.247 -2.360 18467 677 1 . 1 1 125 125 VAL CA C 624 58.527 58.527 59.658 -1.131 18467 678 1 . 1 1 125 125 VAL CB C 624 34.967 34.967 35.536 -0.569 18467 679 1 . 1 1 125 125 VAL H H 624 8.485 8.485 8.431 0.054 18467 680 1 . 1 1 126 126 VAL N N 625 127.599 127.599 125.934 1.665 18467 681 1 . 1 1 126 126 VAL HA H 625 4.619 4.619 4.923 -0.304 18467 682 1 . 1 1 126 126 VAL C C 625 172.882 172.882 174.267 -1.385 18467 683 1 . 1 1 126 126 VAL CA C 625 60.534 60.534 60.064 0.470 18467 684 1 . 1 1 126 126 VAL CB C 625 34.184 34.184 34.905 -0.721 18467 685 1 . 1 1 126 126 VAL H H 625 9.106 9.106 8.677 0.429 18467 686 1 . 1 1 127 127 HIS N N 626 124.292 124.292 124.295 -0.003 18467 687 1 . 1 1 127 127 HIS HA H 626 5.494 5.494 5.071 0.423 18467 688 1 . 1 1 127 127 HIS C C 626 175.629 175.629 174.731 0.898 18467 689 1 . 1 1 127 127 HIS CA C 626 53.247 53.247 54.179 -0.932 18467 690 1 . 1 1 127 127 HIS CB C 626 34.369 34.369 32.513 1.856 18467 691 1 . 1 1 127 127 HIS H H 626 8.754 8.754 8.663 0.091 18467 692 1 . 1 1 128 128 VAL N N 627 124.493 124.493 126.727 -2.234 18467 693 1 . 1 1 128 128 VAL HA H 627 4.512 4.512 4.518 -0.006 18467 694 1 . 1 1 128 128 VAL C C 627 176.349 176.349 175.600 0.749 18467 695 1 . 1 1 128 128 VAL CA C 627 64.730 64.730 63.745 0.985 18467 696 1 . 1 1 128 128 VAL CB C 627 32.980 32.980 31.656 1.324 18467 697 1 . 1 1 128 128 VAL H H 627 8.812 8.812 8.760 0.052 18467 698 1 . 1 1 129 129 ILE N N 628 121.077 121.077 122.603 -1.526 18467 699 1 . 1 1 129 129 ILE HA H 628 5.118 5.118 4.837 0.281 18467 700 1 . 1 1 129 129 ILE C C 628 175.190 175.190 176.307 -1.117 18467 701 1 . 1 1 129 129 ILE CA C 628 60.217 60.217 59.283 0.934 18467 702 1 . 1 1 129 129 ILE CB C 628 42.539 42.539 40.900 1.639 18467 703 1 . 1 1 129 129 ILE H H 628 8.629 8.629 9.089 -0.460 18467 704 1 . 1 1 130 130 THR N N 629 108.406 108.406 112.105 -3.699 18467 705 1 . 1 1 130 130 THR HA H 629 4.671 4.671 4.468 0.203 18467 706 1 . 1 1 130 130 THR C C 629 172.980 172.980 174.168 -1.188 18467 707 1 . 1 1 130 130 THR CA C 629 61.381 61.381 61.671 -0.290 18467 708 1 . 1 1 130 130 THR CB C 629 68.784 68.784 69.508 -0.724 18467 709 1 . 1 1 130 130 THR H H 629 9.368 9.368 8.709 0.659 18467 710 1 . 1 1 131 131 ASN N N 630 117.533 117.533 118.029 -0.496 18467 711 1 . 1 1 131 131 ASN HA H 630 4.754 4.754 4.958 -0.204 18467 712 1 . 1 1 131 131 ASN C C 630 172.493 172.493 173.791 -1.298 18467 713 1 . 1 1 131 131 ASN CA C 630 52.575 52.575 52.097 0.478 18467 714 1 . 1 1 131 131 ASN CB C 630 43.079 43.079 41.719 1.360 18467 715 1 . 1 1 131 131 ASN H H 630 7.355 7.355 7.675 -0.320 18467 716 1 . 1 1 132 132 VAL N N 631 117.886 117.886 120.720 -2.834 18467 717 1 . 1 1 132 132 VAL HA H 631 3.914 3.914 4.367 -0.453 18467 718 1 . 1 1 132 132 VAL C C 631 176.909 176.909 175.584 1.326 18467 719 1 . 1 1 132 132 VAL CA C 631 62.424 62.424 61.714 0.710 18467 720 1 . 1 1 132 132 VAL CB C 631 32.453 32.453 33.150 -0.697 18467 721 1 . 1 1 132 132 VAL H H 631 8.087 8.087 8.467 -0.380 18467 722 1 . 1 1 133 133 LEU N N 632 130.948 130.948 124.883 6.065 18467 723 1 . 1 1 133 133 LEU HA H 632 4.220 4.220 4.639 -0.419 18467 724 1 . 1 1 133 133 LEU CA C 632 55.468 55.468 54.028 1.439 18467 725 1 . 1 1 133 133 LEU H H 632 10.937 10.937 8.534 2.403 18467 726 1 . 1 1 134 134 GLN N N 633 118.157 118.157 121.805 -3.648 18467 727 1 . 1 1 134 134 GLN HA H 633 4.361 4.361 4.563 -0.202 18467 728 1 . 1 1 134 134 GLN CA C 633 55.043 55.043 54.886 0.157 18467 729 1 . 1 1 134 134 GLN CB C 633 31.449 31.449 31.182 0.267 18467 730 1 . 1 1 134 134 GLN H H 633 7.992 7.992 8.454 -0.462 18467 stop_ save_