data_25280 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25280 _Entry.PDB_ID 2MVQ 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 25280 _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 1 574 574 MET N N 574 117.950 117.950 123.676 -5.726 25280 2 1 1 . 1 1 574 574 MET HA H 574 4.485 4.485 4.679 -0.194 25280 3 1 1 . 1 1 574 574 MET C C 574 175.669 175.669 175.782 -0.113 25280 4 1 1 . 1 1 574 574 MET CA C 574 54.944 54.944 55.175 -0.231 25280 5 1 1 . 1 1 574 574 MET CB C 574 32.476 32.476 32.985 -0.509 25280 6 1 1 . 1 1 574 574 MET H H 574 8.461 8.461 8.359 0.102 25280 7 1 1 . 1 1 575 575 ASP N N 575 122.898 122.898 126.813 -3.915 25280 8 1 1 . 1 1 575 575 ASP CA C 575 52.807 52.807 52.051 0.756 25280 9 1 1 . 1 1 575 575 ASP CB C 575 40.926 40.926 40.806 0.120 25280 10 1 1 . 1 1 575 575 ASP H H 575 8.101 8.101 8.561 -0.460 25280 11 1 1 . 1 1 576 576 PRO HA H 576 4.344 4.344 4.510 -0.166 25280 12 1 1 . 1 1 576 576 PRO C C 576 177.044 177.044 176.490 0.554 25280 13 1 1 . 1 1 576 576 PRO CA C 576 63.623 63.623 62.845 0.778 25280 14 1 1 . 1 1 576 576 PRO CB C 576 32.082 32.082 30.983 1.099 25280 15 1 1 . 1 1 577 577 GLU N N 577 119.542 119.542 120.924 -1.382 25280 16 1 1 . 1 1 577 577 GLU HA H 577 4.122 4.122 4.112 0.010 25280 17 1 1 . 1 1 577 577 GLU C C 577 176.229 176.229 176.406 -0.177 25280 18 1 1 . 1 1 577 577 GLU CA C 577 56.941 56.941 57.270 -0.329 25280 19 1 1 . 1 1 577 577 GLU CB C 577 30.073 30.073 29.724 0.349 25280 20 1 1 . 1 1 577 577 GLU H H 577 8.524 8.524 8.063 0.461 25280 21 1 1 . 1 1 578 578 PHE N N 578 120.435 120.435 120.043 0.392 25280 22 1 1 . 1 1 578 578 PHE HA H 578 4.605 4.605 4.403 0.202 25280 23 1 1 . 1 1 578 578 PHE C C 578 175.385 175.385 175.279 0.106 25280 24 1 1 . 1 1 578 578 PHE CA C 578 57.624 57.624 57.899 -0.275 25280 25 1 1 . 1 1 578 578 PHE CB C 578 39.740 39.740 39.694 0.046 25280 26 1 1 . 1 1 578 578 PHE H H 578 8.076 8.076 7.728 0.348 25280 27 1 1 . 1 1 579 579 ILE N N 579 123.348 123.348 127.302 -3.954 25280 28 1 1 . 1 1 579 579 ILE HA H 579 4.089 4.089 4.042 0.047 25280 29 1 1 . 1 1 579 579 ILE C C 579 176.118 176.118 176.118 0.000 25280 30 1 1 . 1 1 579 579 ILE CA C 579 61.181 61.181 59.951 1.230 25280 31 1 1 . 1 1 579 579 ILE CB C 579 38.751 38.751 35.931 2.820 25280 32 1 1 . 1 1 579 579 ILE H H 579 7.917 7.917 7.621 0.296 25280 33 1 1 . 1 1 580 580 GLY N N 580 112.431 112.431 116.551 -4.120 25280 34 1 1 . 1 1 580 580 GLY C C 580 173.918 173.918 173.863 0.055 25280 35 1 1 . 1 1 580 580 GLY CA C 580 45.395 45.395 44.777 0.618 25280 36 1 1 . 1 1 580 580 GLY H H 580 8.051 8.051 8.277 -0.226 25280 37 1 1 . 1 1 581 581 ILE N N 581 119.415 119.415 121.508 -2.093 25280 38 1 1 . 1 1 581 581 ILE HA H 581 4.176 4.176 4.196 -0.020 25280 39 1 1 . 1 1 581 581 ILE C C 581 175.785 175.785 175.223 0.562 25280 40 1 1 . 1 1 581 581 ILE CA C 581 61.159 61.159 60.813 0.346 25280 41 1 1 . 1 1 581 581 ILE CB C 581 39.139 39.139 39.857 -0.718 25280 42 1 1 . 1 1 581 581 ILE H H 581 7.925 7.925 8.160 -0.235 25280 43 1 1 . 1 1 582 582 ASP N N 582 123.440 123.440 129.421 -5.981 25280 44 1 1 . 1 1 582 582 ASP HA H 582 4.565 4.565 4.801 -0.236 25280 45 1 1 . 1 1 582 582 ASP C C 582 175.891 175.891 174.873 1.018 25280 46 1 1 . 1 1 582 582 ASP CA C 582 54.394 54.394 54.252 0.142 25280 47 1 1 . 1 1 582 582 ASP CB C 582 41.070 41.070 41.034 0.036 25280 48 1 1 . 1 1 582 582 ASP H H 582 8.428 8.428 8.478 -0.050 25280 49 1 1 . 1 1 583 583 MET N N 583 120.813 120.813 122.607 -1.794 25280 50 1 1 . 1 1 583 583 MET HA H 583 4.458 4.458 4.649 -0.191 25280 51 1 1 . 1 1 583 583 MET C C 583 175.962 175.962 174.335 1.627 25280 52 1 1 . 1 1 583 583 MET CA C 583 55.401 55.401 55.370 0.031 25280 53 1 1 . 1 1 583 583 MET CB C 583 32.942 32.942 35.181 -2.239 25280 54 1 1 . 1 1 583 583 MET H H 583 8.207 8.207 8.367 -0.160 25280 55 1 1 . 1 1 584 584 ILE N N 584 122.088 122.088 124.325 -2.237 25280 56 1 1 . 1 1 584 584 ILE HA H 584 4.113 4.113 4.273 -0.160 25280 57 1 1 . 1 1 584 584 ILE C C 584 175.758 175.758 175.110 0.648 25280 58 1 1 . 1 1 584 584 ILE CA C 584 61.193 61.193 61.375 -0.182 25280 59 1 1 . 1 1 584 584 ILE CB C 584 38.815 38.815 38.458 0.357 25280 60 1 1 . 1 1 584 584 ILE H H 584 8.090 8.090 8.245 -0.155 25280 61 1 1 . 1 1 585 585 ASP N N 585 124.211 124.211 127.482 -3.271 25280 62 1 1 . 1 1 585 585 ASP HA H 585 4.603 4.603 4.702 -0.099 25280 63 1 1 . 1 1 585 585 ASP C C 585 175.880 175.880 175.840 0.040 25280 64 1 1 . 1 1 585 585 ASP CA C 585 54.213 54.213 53.769 0.444 25280 65 1 1 . 1 1 585 585 ASP CB C 585 41.175 41.175 41.509 -0.334 25280 66 1 1 . 1 1 585 585 ASP H H 585 8.395 8.395 8.721 -0.326 25280 67 1 1 . 1 1 586 586 ASN N N 586 119.932 119.932 124.616 -4.684 25280 68 1 1 . 1 1 586 586 ASN HA H 586 4.681 4.681 4.789 -0.108 25280 69 1 1 . 1 1 586 586 ASN C C 586 175.085 175.085 175.767 -0.682 25280 70 1 1 . 1 1 586 586 ASN CA C 586 53.488 53.488 53.066 0.422 25280 71 1 1 . 1 1 586 586 ASN CB C 586 39.212 39.212 38.871 0.341 25280 72 1 1 . 1 1 586 586 ASN H H 586 8.362 8.362 8.651 -0.289 25280 73 1 1 . 1 1 587 587 ASP N N 587 120.991 120.991 122.050 -1.059 25280 74 1 1 . 1 1 587 587 ASP HA H 587 4.584 4.584 4.421 0.163 25280 75 1 1 . 1 1 587 587 ASP C C 587 176.594 176.594 177.304 -0.710 25280 76 1 1 . 1 1 587 587 ASP CA C 587 54.770 54.770 56.614 -1.843 25280 77 1 1 . 1 1 587 587 ASP CB C 587 41.113 41.113 40.467 0.646 25280 78 1 1 . 1 1 587 587 ASP H H 587 8.417 8.417 8.091 0.326 25280 79 1 1 . 1 1 588 588 GLN N N 588 120.536 120.536 116.976 3.560 25280 80 1 1 . 1 1 588 588 GLN HA H 588 4.276 4.276 4.179 0.097 25280 81 1 1 . 1 1 588 588 GLN C C 588 176.825 176.825 177.423 -0.598 25280 82 1 1 . 1 1 588 588 GLN CA C 588 56.197 56.197 56.252 -0.055 25280 83 1 1 . 1 1 588 588 GLN CB C 588 29.189 29.189 28.999 0.190 25280 84 1 1 . 1 1 588 588 GLN H H 588 8.351 8.351 7.973 0.378 25280 85 1 1 . 1 1 589 589 GLY N N 589 109.481 109.481 107.643 1.838 25280 86 1 1 . 1 1 589 589 GLY C C 589 174.353 174.353 174.122 0.231 25280 87 1 1 . 1 1 589 589 GLY CA C 589 45.495 45.495 44.917 0.578 25280 88 1 1 . 1 1 589 589 GLY H H 589 8.440 8.440 7.963 0.477 25280 89 1 1 . 1 1 590 590 SER N N 590 115.518 115.518 115.594 -0.076 25280 90 1 1 . 1 1 590 590 SER HA H 590 4.493 4.493 4.560 -0.067 25280 91 1 1 . 1 1 590 590 SER C C 590 174.643 174.643 174.008 0.635 25280 92 1 1 . 1 1 590 590 SER CA C 590 58.215 58.215 58.537 -0.322 25280 93 1 1 . 1 1 590 590 SER CB C 590 63.883 63.883 63.822 0.061 25280 94 1 1 . 1 1 590 590 SER H H 590 8.187 8.187 8.110 0.077 25280 95 1 1 . 1 1 591 591 SER N N 591 117.781 117.781 117.728 0.053 25280 96 1 1 . 1 1 591 591 SER HA H 591 4.518 4.518 4.685 -0.167 25280 97 1 1 . 1 1 591 591 SER C C 591 174.128 174.128 173.287 0.841 25280 98 1 1 . 1 1 591 591 SER CA C 591 58.151 58.151 57.922 0.230 25280 99 1 1 . 1 1 591 591 SER CB C 591 63.838 63.838 63.818 0.020 25280 100 1 1 . 1 1 591 591 SER H H 591 8.362 8.362 8.175 0.187 25280 101 1 1 . 1 1 592 592 SER N N 592 118.898 118.898 118.045 0.853 25280 102 1 1 . 1 1 592 592 SER CA C 592 56.483 56.483 56.620 -0.137 25280 103 1 1 . 1 1 592 592 SER CB C 592 63.507 63.507 63.239 0.268 25280 104 1 1 . 1 1 592 592 SER H H 592 8.336 8.336 8.022 0.314 25280 105 1 1 . 1 1 593 593 PRO HA H 593 4.459 4.459 4.483 -0.024 25280 106 1 1 . 1 1 593 593 PRO C C 593 177.037 177.037 177.441 -0.404 25280 107 1 1 . 1 1 593 593 PRO CA C 593 63.337 63.337 62.717 0.620 25280 108 1 1 . 1 1 593 593 PRO CB C 593 32.146 32.146 32.447 -0.301 25280 109 1 1 . 1 1 594 594 SER N N 594 116.126 116.126 118.292 -2.166 25280 110 1 1 . 1 1 594 594 SER HA H 594 4.405 4.405 4.137 0.268 25280 111 1 1 . 1 1 594 594 SER C C 594 174.478 174.478 176.366 -1.888 25280 112 1 1 . 1 1 594 594 SER CA C 594 58.283 58.283 61.230 -2.947 25280 113 1 1 . 1 1 594 594 SER CB C 594 63.781 63.781 63.372 0.409 25280 114 1 1 . 1 1 594 594 SER H H 594 8.436 8.436 8.627 -0.191 25280 115 1 1 . 1 1 595 595 ASN N N 595 120.920 120.920 118.705 2.215 25280 116 1 1 . 1 1 595 595 ASN HA H 595 4.711 4.711 4.466 0.245 25280 117 1 1 . 1 1 595 595 ASN C C 595 175.089 175.089 176.997 -1.908 25280 118 1 1 . 1 1 595 595 ASN CA C 595 53.483 53.483 56.358 -2.875 25280 119 1 1 . 1 1 595 595 ASN CB C 595 39.060 39.060 37.695 1.365 25280 120 1 1 . 1 1 595 595 ASN H H 595 8.460 8.460 8.579 -0.119 25280 121 1 1 . 1 1 596 596 ASP N N 596 121.047 121.047 120.043 1.004 25280 122 1 1 . 1 1 596 596 ASP HA H 596 4.562 4.562 4.422 0.140 25280 123 1 1 . 1 1 596 596 ASP C C 596 176.666 176.666 178.585 -1.919 25280 124 1 1 . 1 1 596 596 ASP CA C 596 54.776 54.776 57.213 -2.437 25280 125 1 1 . 1 1 596 596 ASP CB C 596 41.079 41.079 40.288 0.791 25280 126 1 1 . 1 1 596 596 ASP H H 596 8.304 8.304 8.568 -0.264 25280 127 1 1 . 1 1 597 597 GLU N N 597 121.766 121.766 119.918 1.848 25280 128 1 1 . 1 1 597 597 GLU HA H 597 4.108 4.108 4.078 0.030 25280 129 1 1 . 1 1 597 597 GLU C C 597 177.474 177.474 178.688 -1.214 25280 130 1 1 . 1 1 597 597 GLU CA C 597 57.983 57.983 59.074 -1.091 25280 131 1 1 . 1 1 597 597 GLU CB C 597 29.907 29.907 29.603 0.304 25280 132 1 1 . 1 1 597 597 GLU H H 597 8.386 8.386 7.613 0.773 25280 133 1 1 . 1 1 598 598 ALA N N 598 123.873 123.873 121.764 2.109 25280 134 1 1 . 1 1 598 598 ALA C C 598 178.598 178.598 178.784 -0.186 25280 135 1 1 . 1 1 598 598 ALA CA C 598 53.540 53.540 54.709 -1.169 25280 136 1 1 . 1 1 598 598 ALA CB C 598 18.651 18.651 18.420 0.231 25280 137 1 1 . 1 1 598 598 ALA H H 598 8.238 8.238 7.812 0.426 25280 138 1 1 . 1 1 599 599 ALA N N 599 122.041 122.041 120.328 1.713 25280 139 1 1 . 1 1 599 599 ALA HA H 599 4.225 4.225 4.142 0.083 25280 140 1 1 . 1 1 599 599 ALA C C 599 178.877 178.877 180.279 -1.402 25280 141 1 1 . 1 1 599 599 ALA CA C 599 53.382 53.382 54.455 -1.073 25280 142 1 1 . 1 1 599 599 ALA CB C 599 18.779 18.779 18.749 0.030 25280 143 1 1 . 1 1 599 599 ALA H H 599 8.017 8.017 7.685 0.332 25280 144 1 1 . 1 1 600 600 MET N N 600 118.403 118.403 117.951 0.452 25280 145 1 1 . 1 1 600 600 MET HA H 600 4.386 4.386 4.247 0.139 25280 146 1 1 . 1 1 600 600 MET C C 600 176.628 176.628 178.455 -1.827 25280 147 1 1 . 1 1 600 600 MET CA C 600 56.058 56.058 56.330 -0.272 25280 148 1 1 . 1 1 600 600 MET CB C 600 32.504 32.504 31.567 0.937 25280 149 1 1 . 1 1 600 600 MET H H 600 8.096 8.096 8.127 -0.031 25280 150 1 1 . 1 1 601 601 ALA N N 601 123.911 123.911 121.962 1.949 25280 151 1 1 . 1 1 601 601 ALA HA H 601 4.228 4.228 4.064 0.164 25280 152 1 1 . 1 1 601 601 ALA C C 601 178.582 178.582 179.102 -0.520 25280 153 1 1 . 1 1 601 601 ALA CA C 601 53.415 53.415 54.681 -1.266 25280 154 1 1 . 1 1 601 601 ALA CB C 601 18.732 18.732 17.523 1.209 25280 155 1 1 . 1 1 601 601 ALA H H 601 8.049 8.049 8.305 -0.256 25280 156 1 1 . 1 1 602 602 VAL N N 602 119.320 119.320 118.444 0.876 25280 157 1 1 . 1 1 602 602 VAL HA H 602 3.938 3.938 3.717 0.221 25280 158 1 1 . 1 1 602 602 VAL C C 602 176.902 176.902 177.690 -0.788 25280 159 1 1 . 1 1 602 602 VAL CA C 602 63.561 63.561 64.954 -1.393 25280 160 1 1 . 1 1 602 602 VAL CB C 602 32.473 32.473 31.930 0.543 25280 161 1 1 . 1 1 602 602 VAL H H 602 7.844 7.844 7.250 0.594 25280 162 1 1 . 1 1 603 603 ILE N N 603 123.836 123.836 118.988 4.848 25280 163 1 1 . 1 1 603 603 ILE HA H 603 3.994 3.994 3.743 0.251 25280 164 1 1 . 1 1 603 603 ILE C C 603 177.039 177.039 177.669 -0.630 25280 165 1 1 . 1 1 603 603 ILE CA C 603 62.259 62.259 63.904 -1.645 25280 166 1 1 . 1 1 603 603 ILE CB C 603 38.292 38.292 37.836 0.456 25280 167 1 1 . 1 1 603 603 ILE H H 603 8.003 8.003 8.256 -0.253 25280 168 1 1 . 1 1 604 604 MET N N 604 122.698 122.698 117.685 5.013 25280 169 1 1 . 1 1 604 604 MET HA H 604 4.412 4.412 4.232 0.180 25280 170 1 1 . 1 1 604 604 MET C C 604 176.884 176.884 176.701 0.183 25280 171 1 1 . 1 1 604 604 MET CA C 604 56.136 56.136 58.134 -1.998 25280 172 1 1 . 1 1 604 604 MET CB C 604 32.466 32.466 33.132 -0.666 25280 173 1 1 . 1 1 604 604 MET H H 604 8.414 8.414 7.355 1.059 25280 174 1 1 . 1 1 605 605 SER N N 605 116.666 116.666 113.143 3.523 25280 175 1 1 . 1 1 605 605 SER HA H 605 4.376 4.376 4.690 -0.314 25280 176 1 1 . 1 1 605 605 SER C C 605 174.920 174.920 173.308 1.612 25280 177 1 1 . 1 1 605 605 SER CA C 605 59.160 59.160 57.874 1.286 25280 178 1 1 . 1 1 605 605 SER CB C 605 63.539 63.539 63.182 0.357 25280 179 1 1 . 1 1 605 605 SER H H 605 8.175 8.175 7.729 0.446 25280 180 1 1 . 1 1 606 606 LEU N N 606 123.877 123.877 124.186 -0.309 25280 181 1 1 . 1 1 606 606 LEU HA H 606 4.329 4.329 4.550 -0.221 25280 182 1 1 . 1 1 606 606 LEU C C 606 177.666 177.666 176.395 1.271 25280 183 1 1 . 1 1 606 606 LEU CA C 606 55.735 55.735 55.010 0.725 25280 184 1 1 . 1 1 606 606 LEU CB C 606 42.208 42.208 43.124 -0.916 25280 185 1 1 . 1 1 606 606 LEU H H 606 8.098 8.098 8.574 -0.476 25280 186 1 1 . 1 1 607 607 LEU N N 607 121.714 121.714 121.427 0.287 25280 187 1 1 . 1 1 607 607 LEU HA H 607 4.311 4.311 4.295 0.016 25280 188 1 1 . 1 1 607 607 LEU C C 607 177.811 177.811 176.970 0.841 25280 189 1 1 . 1 1 607 607 LEU CA C 607 55.664 55.664 55.261 0.403 25280 190 1 1 . 1 1 607 607 LEU CB C 607 42.312 42.312 42.421 -0.109 25280 191 1 1 . 1 1 607 607 LEU H H 607 8.015 8.015 7.686 0.329 25280 192 1 1 . 1 1 608 608 GLU N N 608 121.023 121.023 122.508 -1.485 25280 193 1 1 . 1 1 608 608 GLU HA H 608 4.204 4.204 4.548 -0.344 25280 194 1 1 . 1 1 608 608 GLU C C 608 176.604 176.604 176.243 0.361 25280 195 1 1 . 1 1 608 608 GLU CA C 608 56.781 56.781 55.532 1.249 25280 196 1 1 . 1 1 608 608 GLU CB C 608 30.050 30.050 28.460 1.590 25280 197 1 1 . 1 1 608 608 GLU H H 608 8.195 8.195 8.850 -0.655 25280 198 1 1 . 1 1 609 609 ALA N N 609 124.285 124.285 123.888 0.397 25280 199 1 1 . 1 1 609 609 ALA HA H 609 4.223 4.223 4.187 0.036 25280 200 1 1 . 1 1 609 609 ALA C C 609 177.700 177.700 177.464 0.236 25280 201 1 1 . 1 1 609 609 ALA CA C 609 52.977 52.977 53.450 -0.473 25280 202 1 1 . 1 1 609 609 ALA CB C 609 19.185 19.185 19.351 -0.166 25280 203 1 1 . 1 1 609 609 ALA H H 609 8.156 8.156 8.197 -0.041 25280 204 1 1 . 1 1 610 610 ASP N N 610 119.248 119.248 118.672 0.576 25280 205 1 1 . 1 1 610 610 ASP HA H 610 4.549 4.549 4.363 0.186 25280 206 1 1 . 1 1 610 610 ASP C C 610 176.353 176.353 177.628 -1.275 25280 207 1 1 . 1 1 610 610 ASP CA C 610 54.344 54.344 56.441 -2.097 25280 208 1 1 . 1 1 610 610 ASP CB C 610 41.237 41.237 40.219 1.018 25280 209 1 1 . 1 1 610 610 ASP H H 610 8.215 8.215 8.343 -0.128 25280 210 1 1 . 1 1 611 611 ALA N N 611 124.813 124.813 119.658 5.155 25280 211 1 1 . 1 1 611 611 ALA C C 611 178.431 178.431 178.634 -0.203 25280 212 1 1 . 1 1 611 611 ALA CA C 611 53.032 53.032 53.018 0.014 25280 213 1 1 . 1 1 611 611 ALA CB C 611 19.186 19.186 19.146 0.040 25280 214 1 1 . 1 1 611 611 ALA H H 611 8.211 8.211 7.552 0.659 25280 215 1 1 . 1 1 612 612 GLY N N 612 107.402 107.402 105.442 1.960 25280 216 1 1 . 1 1 612 612 GLY C C 612 174.554 174.554 174.443 0.111 25280 217 1 1 . 1 1 612 612 GLY CA C 612 45.512 45.512 45.457 0.055 25280 218 1 1 . 1 1 612 612 GLY H H 612 8.417 8.417 7.748 0.669 25280 219 1 1 . 1 1 613 613 LEU N N 613 121.201 121.201 121.733 -0.532 25280 220 1 1 . 1 1 613 613 LEU HA H 613 4.294 4.294 4.325 -0.031 25280 221 1 1 . 1 1 613 613 LEU C C 613 178.034 178.034 177.715 0.319 25280 222 1 1 . 1 1 613 613 LEU CA C 613 55.410 55.410 54.791 0.619 25280 223 1 1 . 1 1 613 613 LEU CB C 613 42.337 42.337 42.039 0.298 25280 224 1 1 . 1 1 613 613 LEU H H 613 8.032 8.032 7.858 0.174 25280 225 1 1 . 1 1 614 614 GLY N N 614 109.395 109.395 108.403 0.992 25280 226 1 1 . 1 1 614 614 GLY C C 614 174.274 174.274 174.992 -0.718 25280 227 1 1 . 1 1 614 614 GLY CA C 614 45.088 45.088 44.698 0.390 25280 228 1 1 . 1 1 614 614 GLY H H 614 8.438 8.438 8.884 -0.446 25280 229 1 1 . 1 1 615 615 GLY N N 615 108.795 108.795 110.196 -1.401 25280 230 1 1 . 1 1 615 615 GLY CA C 615 44.453 44.453 44.051 0.402 25280 231 1 1 . 1 1 615 615 GLY H H 615 8.048 8.048 7.652 0.396 25280 232 1 1 . 1 1 616 616 PRO HA H 616 4.416 4.416 4.320 0.096 25280 233 1 1 . 1 1 616 616 PRO C C 616 177.062 177.062 176.428 0.634 25280 234 1 1 . 1 1 616 616 PRO CA C 616 63.037 63.037 63.150 -0.113 25280 235 1 1 . 1 1 616 616 PRO CB C 616 32.164 32.164 32.100 0.064 25280 236 1 1 . 1 1 617 617 VAL N N 617 119.919 119.919 122.402 -2.483 25280 237 1 1 . 1 1 617 617 VAL HA H 617 4.041 4.041 3.956 0.085 25280 238 1 1 . 1 1 617 617 VAL C C 617 175.491 175.491 175.987 -0.496 25280 239 1 1 . 1 1 617 617 VAL CA C 617 62.085 62.085 62.828 -0.743 25280 240 1 1 . 1 1 617 617 VAL CB C 617 32.975 32.975 32.278 0.697 25280 241 1 1 . 1 1 617 617 VAL H H 617 8.207 8.207 8.064 0.143 25280 242 1 1 . 1 1 618 618 ASP N N 618 123.606 123.606 125.474 -1.868 25280 243 1 1 . 1 1 618 618 ASP HA H 618 4.546 4.546 4.456 0.090 25280 244 1 1 . 1 1 618 618 ASP C C 618 175.875 175.875 175.495 0.380 25280 245 1 1 . 1 1 618 618 ASP CA C 618 53.977 53.977 52.947 1.030 25280 246 1 1 . 1 1 618 618 ASP CB C 618 41.472 41.472 41.921 -0.449 25280 247 1 1 . 1 1 618 618 ASP H H 618 8.264 8.264 8.201 0.063 25280 248 1 1 . 1 1 619 619 PHE N N 619 121.642 121.642 120.041 1.601 25280 249 1 1 . 1 1 619 619 PHE HA H 619 4.578 4.578 4.561 0.017 25280 250 1 1 . 1 1 619 619 PHE C C 619 175.905 175.905 175.842 0.063 25280 251 1 1 . 1 1 619 619 PHE CA C 619 57.977 57.977 59.051 -1.075 25280 252 1 1 . 1 1 619 619 PHE CB C 619 39.363 39.363 39.560 -0.198 25280 253 1 1 . 1 1 619 619 PHE H H 619 8.263 8.263 8.299 -0.036 25280 254 1 1 . 1 1 620 620 SER N N 620 117.019 117.019 117.992 -0.973 25280 255 1 1 . 1 1 620 620 SER HA H 620 4.325 4.325 4.471 -0.146 25280 256 1 1 . 1 1 620 620 SER C C 620 173.926 173.926 173.525 0.401 25280 257 1 1 . 1 1 620 620 SER CA C 620 58.935 58.935 57.657 1.278 25280 258 1 1 . 1 1 620 620 SER CB C 620 63.804 63.804 65.547 -1.743 25280 259 1 1 . 1 1 620 620 SER H H 620 8.274 8.274 8.066 0.208 25280 260 1 1 . 1 1 621 621 ASP N N 621 121.939 121.939 120.110 1.829 25280 261 1 1 . 1 1 621 621 ASP HA H 621 4.596 4.596 4.536 0.060 25280 262 1 1 . 1 1 621 621 ASP C C 621 175.540 175.540 175.315 0.225 25280 263 1 1 . 1 1 621 621 ASP CA C 621 54.099 54.099 54.531 -0.432 25280 264 1 1 . 1 1 621 621 ASP CB C 621 41.098 41.098 40.443 0.655 25280 265 1 1 . 1 1 621 621 ASP H H 621 8.218 8.218 8.419 -0.201 25280 266 1 1 . 1 1 622 622 LEU N N 622 122.946 122.946 121.046 1.900 25280 267 1 1 . 1 1 622 622 LEU HA H 622 4.513 4.513 4.333 0.180 25280 268 1 1 . 1 1 622 622 LEU CA C 622 52.999 52.999 54.912 -1.913 25280 269 1 1 . 1 1 622 622 LEU CB C 622 41.847 41.847 41.766 0.081 25280 270 1 1 . 1 1 622 622 LEU H H 622 7.900 7.900 8.140 -0.240 25280 271 1 1 . 1 1 623 623 PRO HA H 623 4.335 4.335 4.463 -0.128 25280 272 1 1 . 1 1 623 623 PRO C C 623 176.233 176.233 176.787 -0.554 25280 273 1 1 . 1 1 623 623 PRO CA C 623 62.969 62.969 63.987 -1.018 25280 274 1 1 . 1 1 623 623 PRO CB C 623 31.645 31.645 32.250 -0.605 25280 275 1 1 . 1 1 624 624 TRP N N 624 122.332 122.332 123.320 -0.988 25280 276 1 1 . 1 1 624 624 TRP HA H 624 4.903 4.903 4.968 -0.065 25280 277 1 1 . 1 1 624 624 TRP CA C 624 54.676 54.676 55.159 -0.483 25280 278 1 1 . 1 1 624 624 TRP CB C 624 29.101 29.101 29.735 -0.635 25280 279 1 1 . 1 1 624 624 TRP H H 624 7.967 7.967 8.047 -0.080 25280 280 1 1 . 1 1 625 625 PRO HA H 625 4.400 4.400 4.233 0.167 25280 281 1 1 . 1 1 625 625 PRO C C 625 175.842 175.842 175.567 0.275 25280 282 1 1 . 1 1 625 625 PRO CA C 625 63.221 63.221 63.674 -0.453 25280 283 1 1 . 1 1 625 625 PRO CB C 625 31.812 31.812 33.073 -1.261 25280 284 1 2 . 1 1 574 574 MET N N 574 117.950 117.950 121.561 -3.611 25280 285 1 2 . 1 1 574 574 MET HA H 574 4.485 4.485 4.567 -0.082 25280 286 1 2 . 1 1 574 574 MET C C 574 175.669 175.669 175.739 -0.070 25280 287 1 2 . 1 1 574 574 MET CA C 574 54.944 54.944 54.985 -0.041 25280 288 1 2 . 1 1 574 574 MET CB C 574 32.476 32.476 33.331 -0.855 25280 289 1 2 . 1 1 574 574 MET H H 574 8.461 8.461 8.276 0.185 25280 290 1 2 . 1 1 575 575 ASP N N 575 122.898 122.898 122.451 0.447 25280 291 1 2 . 1 1 575 575 ASP CA C 575 52.807 52.807 53.298 -0.491 25280 292 1 2 . 1 1 575 575 ASP CB C 575 40.926 40.926 40.893 0.033 25280 293 1 2 . 1 1 575 575 ASP H H 575 8.101 8.101 8.307 -0.206 25280 294 1 2 . 1 1 576 576 PRO HA H 576 4.344 4.344 4.509 -0.165 25280 295 1 2 . 1 1 576 576 PRO C C 576 177.044 177.044 176.844 0.200 25280 296 1 2 . 1 1 576 576 PRO CA C 576 63.623 63.623 62.982 0.641 25280 297 1 2 . 1 1 576 576 PRO CB C 576 32.082 32.082 32.562 -0.480 25280 298 1 2 . 1 1 577 577 GLU N N 577 119.542 119.542 120.562 -1.020 25280 299 1 2 . 1 1 577 577 GLU HA H 577 4.122 4.122 4.043 0.079 25280 300 1 2 . 1 1 577 577 GLU C C 577 176.229 176.229 175.910 0.319 25280 301 1 2 . 1 1 577 577 GLU CA C 577 56.941 56.941 57.969 -1.028 25280 302 1 2 . 1 1 577 577 GLU CB C 577 30.073 30.073 29.823 0.250 25280 303 1 2 . 1 1 577 577 GLU H H 577 8.524 8.524 8.783 -0.259 25280 304 1 2 . 1 1 578 578 PHE N N 578 120.435 120.435 118.532 1.903 25280 305 1 2 . 1 1 578 578 PHE HA H 578 4.605 4.605 4.680 -0.075 25280 306 1 2 . 1 1 578 578 PHE C C 578 175.385 175.385 175.011 0.374 25280 307 1 2 . 1 1 578 578 PHE CA C 578 57.624 57.624 57.012 0.612 25280 308 1 2 . 1 1 578 578 PHE CB C 578 39.740 39.740 40.611 -0.871 25280 309 1 2 . 1 1 578 578 PHE H H 578 8.076 8.076 7.691 0.385 25280 310 1 2 . 1 1 579 579 ILE N N 579 123.348 123.348 126.433 -3.085 25280 311 1 2 . 1 1 579 579 ILE HA H 579 4.089 4.089 4.325 -0.236 25280 312 1 2 . 1 1 579 579 ILE C C 579 176.118 176.118 175.810 0.308 25280 313 1 2 . 1 1 579 579 ILE CA C 579 61.181 61.181 61.046 0.135 25280 314 1 2 . 1 1 579 579 ILE CB C 579 38.751 38.751 38.178 0.573 25280 315 1 2 . 1 1 579 579 ILE H H 579 7.917 7.917 8.782 -0.865 25280 316 1 2 . 1 1 580 580 GLY N N 580 112.431 112.431 117.348 -4.917 25280 317 1 2 . 1 1 580 580 GLY C C 580 173.918 173.918 174.304 -0.386 25280 318 1 2 . 1 1 580 580 GLY CA C 580 45.395 45.395 44.571 0.824 25280 319 1 2 . 1 1 580 580 GLY H H 580 8.051 8.051 8.459 -0.408 25280 320 1 2 . 1 1 581 581 ILE N N 581 119.415 119.415 123.197 -3.782 25280 321 1 2 . 1 1 581 581 ILE HA H 581 4.176 4.176 4.467 -0.291 25280 322 1 2 . 1 1 581 581 ILE C C 581 175.785 175.785 175.666 0.119 25280 323 1 2 . 1 1 581 581 ILE CA C 581 61.159 61.159 59.906 1.253 25280 324 1 2 . 1 1 581 581 ILE CB C 581 39.139 39.139 38.077 1.062 25280 325 1 2 . 1 1 581 581 ILE H H 581 7.925 7.925 8.038 -0.113 25280 326 1 2 . 1 1 582 582 ASP N N 582 123.440 123.440 127.885 -4.445 25280 327 1 2 . 1 1 582 582 ASP HA H 582 4.565 4.565 4.697 -0.132 25280 328 1 2 . 1 1 582 582 ASP C C 582 175.891 175.891 175.220 0.671 25280 329 1 2 . 1 1 582 582 ASP CA C 582 54.394 54.394 53.769 0.625 25280 330 1 2 . 1 1 582 582 ASP CB C 582 41.070 41.070 39.573 1.497 25280 331 1 2 . 1 1 582 582 ASP H H 582 8.428 8.428 8.765 -0.337 25280 332 1 2 . 1 1 583 583 MET N N 583 120.813 120.813 121.595 -0.782 25280 333 1 2 . 1 1 583 583 MET HA H 583 4.458 4.458 4.632 -0.174 25280 334 1 2 . 1 1 583 583 MET C C 583 175.962 175.962 174.444 1.518 25280 335 1 2 . 1 1 583 583 MET CA C 583 55.401 55.401 54.833 0.568 25280 336 1 2 . 1 1 583 583 MET CB C 583 32.942 32.942 35.634 -2.692 25280 337 1 2 . 1 1 583 583 MET H H 583 8.207 8.207 7.821 0.386 25280 338 1 2 . 1 1 584 584 ILE N N 584 122.088 122.088 124.384 -2.296 25280 339 1 2 . 1 1 584 584 ILE HA H 584 4.113 4.113 4.153 -0.040 25280 340 1 2 . 1 1 584 584 ILE C C 584 175.758 175.758 175.343 0.415 25280 341 1 2 . 1 1 584 584 ILE CA C 584 61.193 61.193 61.692 -0.499 25280 342 1 2 . 1 1 584 584 ILE CB C 584 38.815 38.815 38.387 0.428 25280 343 1 2 . 1 1 584 584 ILE H H 584 8.090 8.090 8.407 -0.317 25280 344 1 2 . 1 1 585 585 ASP N N 585 124.211 124.211 127.047 -2.836 25280 345 1 2 . 1 1 585 585 ASP HA H 585 4.603 4.603 4.747 -0.144 25280 346 1 2 . 1 1 585 585 ASP C C 585 175.880 175.880 175.953 -0.073 25280 347 1 2 . 1 1 585 585 ASP CA C 585 54.213 54.213 52.852 1.361 25280 348 1 2 . 1 1 585 585 ASP CB C 585 41.175 41.175 41.162 0.013 25280 349 1 2 . 1 1 585 585 ASP H H 585 8.395 8.395 8.705 -0.310 25280 350 1 2 . 1 1 586 586 ASN N N 586 119.932 119.932 120.155 -0.223 25280 351 1 2 . 1 1 586 586 ASN HA H 586 4.681 4.681 4.625 0.056 25280 352 1 2 . 1 1 586 586 ASN C C 586 175.085 175.085 175.574 -0.489 25280 353 1 2 . 1 1 586 586 ASN CA C 586 53.488 53.488 52.555 0.933 25280 354 1 2 . 1 1 586 586 ASN CB C 586 39.212 39.212 38.532 0.680 25280 355 1 2 . 1 1 586 586 ASN H H 586 8.362 8.362 8.741 -0.379 25280 356 1 2 . 1 1 587 587 ASP N N 587 120.991 120.991 119.541 1.450 25280 357 1 2 . 1 1 587 587 ASP HA H 587 4.584 4.584 4.393 0.191 25280 358 1 2 . 1 1 587 587 ASP C C 587 176.594 176.594 177.021 -0.427 25280 359 1 2 . 1 1 587 587 ASP CA C 587 54.770 54.770 56.055 -1.285 25280 360 1 2 . 1 1 587 587 ASP CB C 587 41.113 41.113 39.620 1.492 25280 361 1 2 . 1 1 587 587 ASP H H 587 8.417 8.417 8.725 -0.308 25280 362 1 2 . 1 1 588 588 GLN N N 588 120.536 120.536 118.990 1.546 25280 363 1 2 . 1 1 588 588 GLN HA H 588 4.276 4.276 4.238 0.038 25280 364 1 2 . 1 1 588 588 GLN C C 588 176.825 176.825 177.468 -0.643 25280 365 1 2 . 1 1 588 588 GLN CA C 588 56.197 56.197 55.755 0.442 25280 366 1 2 . 1 1 588 588 GLN CB C 588 29.189 29.189 28.457 0.731 25280 367 1 2 . 1 1 588 588 GLN H H 588 8.351 8.351 7.887 0.464 25280 368 1 2 . 1 1 589 589 GLY N N 589 109.481 109.481 108.328 1.153 25280 369 1 2 . 1 1 589 589 GLY C C 589 174.353 174.353 174.539 -0.186 25280 370 1 2 . 1 1 589 589 GLY CA C 589 45.495 45.495 44.997 0.498 25280 371 1 2 . 1 1 589 589 GLY H H 589 8.440 8.440 7.837 0.603 25280 372 1 2 . 1 1 590 590 SER N N 590 115.518 115.518 115.563 -0.045 25280 373 1 2 . 1 1 590 590 SER HA H 590 4.493 4.493 4.582 -0.089 25280 374 1 2 . 1 1 590 590 SER C C 590 174.643 174.643 175.236 -0.593 25280 375 1 2 . 1 1 590 590 SER CA C 590 58.215 58.215 58.722 -0.507 25280 376 1 2 . 1 1 590 590 SER CB C 590 63.883 63.883 63.902 -0.019 25280 377 1 2 . 1 1 590 590 SER H H 590 8.187 8.187 8.023 0.164 25280 378 1 2 . 1 1 591 591 SER N N 591 117.781 117.781 119.215 -1.434 25280 379 1 2 . 1 1 591 591 SER HA H 591 4.518 4.518 4.533 -0.015 25280 380 1 2 . 1 1 591 591 SER C C 591 174.128 174.128 173.877 0.251 25280 381 1 2 . 1 1 591 591 SER CA C 591 58.151 58.151 58.752 -0.601 25280 382 1 2 . 1 1 591 591 SER CB C 591 63.838 63.838 63.921 -0.083 25280 383 1 2 . 1 1 591 591 SER H H 591 8.362 8.362 8.410 -0.048 25280 384 1 2 . 1 1 592 592 SER N N 592 118.898 118.898 117.444 1.454 25280 385 1 2 . 1 1 592 592 SER CA C 592 56.483 56.483 56.892 -0.408 25280 386 1 2 . 1 1 592 592 SER CB C 592 63.507 63.507 62.997 0.510 25280 387 1 2 . 1 1 592 592 SER H H 592 8.336 8.336 8.409 -0.073 25280 388 1 2 . 1 1 593 593 PRO HA H 593 4.459 4.459 4.592 -0.133 25280 389 1 2 . 1 1 593 593 PRO C C 593 177.037 177.037 176.299 0.738 25280 390 1 2 . 1 1 593 593 PRO CA C 593 63.337 63.337 63.057 0.280 25280 391 1 2 . 1 1 593 593 PRO CB C 593 32.146 32.146 32.360 -0.214 25280 392 1 2 . 1 1 594 594 SER N N 594 116.126 116.126 117.654 -1.528 25280 393 1 2 . 1 1 594 594 SER HA H 594 4.405 4.405 4.153 0.252 25280 394 1 2 . 1 1 594 594 SER C C 594 174.478 174.478 176.442 -1.964 25280 395 1 2 . 1 1 594 594 SER CA C 594 58.283 58.283 61.610 -3.327 25280 396 1 2 . 1 1 594 594 SER CB C 594 63.781 63.781 63.315 0.466 25280 397 1 2 . 1 1 594 594 SER H H 594 8.436 8.436 8.518 -0.082 25280 398 1 2 . 1 1 595 595 ASN N N 595 120.920 120.920 119.372 1.548 25280 399 1 2 . 1 1 595 595 ASN HA H 595 4.711 4.711 4.559 0.152 25280 400 1 2 . 1 1 595 595 ASN C C 595 175.089 175.089 177.027 -1.938 25280 401 1 2 . 1 1 595 595 ASN CA C 595 53.483 53.483 55.410 -1.927 25280 402 1 2 . 1 1 595 595 ASN CB C 595 39.060 39.060 38.239 0.821 25280 403 1 2 . 1 1 595 595 ASN H H 595 8.460 8.460 8.420 0.040 25280 404 1 2 . 1 1 596 596 ASP N N 596 121.047 121.047 117.922 3.125 25280 405 1 2 . 1 1 596 596 ASP HA H 596 4.562 4.562 4.408 0.154 25280 406 1 2 . 1 1 596 596 ASP C C 596 176.666 176.666 177.679 -1.013 25280 407 1 2 . 1 1 596 596 ASP CA C 596 54.776 54.776 56.137 -1.361 25280 408 1 2 . 1 1 596 596 ASP CB C 596 41.079 41.079 40.402 0.677 25280 409 1 2 . 1 1 596 596 ASP H H 596 8.304 8.304 8.645 -0.341 25280 410 1 2 . 1 1 597 597 GLU N N 597 121.766 121.766 119.760 2.006 25280 411 1 2 . 1 1 597 597 GLU HA H 597 4.108 4.108 4.038 0.070 25280 412 1 2 . 1 1 597 597 GLU C C 597 177.474 177.474 178.081 -0.607 25280 413 1 2 . 1 1 597 597 GLU CA C 597 57.983 57.983 58.794 -0.810 25280 414 1 2 . 1 1 597 597 GLU CB C 597 29.907 29.907 29.615 0.292 25280 415 1 2 . 1 1 597 597 GLU H H 597 8.386 8.386 7.643 0.743 25280 416 1 2 . 1 1 598 598 ALA N N 598 123.873 123.873 120.918 2.955 25280 417 1 2 . 1 1 598 598 ALA C C 598 178.598 178.598 178.980 -0.382 25280 418 1 2 . 1 1 598 598 ALA CA C 598 53.540 53.540 54.381 -0.841 25280 419 1 2 . 1 1 598 598 ALA CB C 598 18.651 18.651 18.288 0.363 25280 420 1 2 . 1 1 598 598 ALA H H 598 8.238 8.238 7.940 0.298 25280 421 1 2 . 1 1 599 599 ALA N N 599 122.041 122.041 120.390 1.651 25280 422 1 2 . 1 1 599 599 ALA HA H 599 4.225 4.225 4.080 0.145 25280 423 1 2 . 1 1 599 599 ALA C C 599 178.877 178.877 179.995 -1.118 25280 424 1 2 . 1 1 599 599 ALA CA C 599 53.382 53.382 54.621 -1.239 25280 425 1 2 . 1 1 599 599 ALA CB C 599 18.779 18.779 18.381 0.398 25280 426 1 2 . 1 1 599 599 ALA H H 599 8.017 8.017 7.343 0.674 25280 427 1 2 . 1 1 600 600 MET N N 600 118.403 118.403 118.219 0.184 25280 428 1 2 . 1 1 600 600 MET HA H 600 4.386 4.386 4.143 0.243 25280 429 1 2 . 1 1 600 600 MET C C 600 176.628 176.628 178.332 -1.704 25280 430 1 2 . 1 1 600 600 MET CA C 600 56.058 56.058 58.429 -2.371 25280 431 1 2 . 1 1 600 600 MET CB C 600 32.504 32.504 32.445 0.059 25280 432 1 2 . 1 1 600 600 MET H H 600 8.096 8.096 7.610 0.486 25280 433 1 2 . 1 1 601 601 ALA N N 601 123.911 123.911 121.561 2.350 25280 434 1 2 . 1 1 601 601 ALA HA H 601 4.228 4.228 4.001 0.227 25280 435 1 2 . 1 1 601 601 ALA C C 601 178.582 178.582 178.812 -0.230 25280 436 1 2 . 1 1 601 601 ALA CA C 601 53.415 53.415 54.663 -1.248 25280 437 1 2 . 1 1 601 601 ALA CB C 601 18.732 18.732 17.662 1.070 25280 438 1 2 . 1 1 601 601 ALA H H 601 8.049 8.049 7.819 0.230 25280 439 1 2 . 1 1 602 602 VAL N N 602 119.320 119.320 118.231 1.089 25280 440 1 2 . 1 1 602 602 VAL HA H 602 3.938 3.938 3.681 0.257 25280 441 1 2 . 1 1 602 602 VAL C C 602 176.902 176.902 177.734 -0.832 25280 442 1 2 . 1 1 602 602 VAL CA C 602 63.561 63.561 65.808 -2.247 25280 443 1 2 . 1 1 602 602 VAL CB C 602 32.473 32.473 31.797 0.676 25280 444 1 2 . 1 1 602 602 VAL H H 602 7.844 7.844 7.369 0.475 25280 445 1 2 . 1 1 603 603 ILE N N 603 123.836 123.836 118.673 5.163 25280 446 1 2 . 1 1 603 603 ILE HA H 603 3.994 3.994 3.718 0.276 25280 447 1 2 . 1 1 603 603 ILE C C 603 177.039 177.039 177.807 -0.768 25280 448 1 2 . 1 1 603 603 ILE CA C 603 62.259 62.259 63.807 -1.548 25280 449 1 2 . 1 1 603 603 ILE CB C 603 38.292 38.292 38.128 0.164 25280 450 1 2 . 1 1 603 603 ILE H H 603 8.003 8.003 7.736 0.267 25280 451 1 2 . 1 1 604 604 MET N N 604 122.698 122.698 118.916 3.782 25280 452 1 2 . 1 1 604 604 MET HA H 604 4.412 4.412 4.172 0.240 25280 453 1 2 . 1 1 604 604 MET C C 604 176.884 176.884 176.839 0.045 25280 454 1 2 . 1 1 604 604 MET CA C 604 56.136 56.136 57.697 -1.561 25280 455 1 2 . 1 1 604 604 MET CB C 604 32.466 32.466 33.112 -0.646 25280 456 1 2 . 1 1 604 604 MET H H 604 8.414 8.414 7.479 0.935 25280 457 1 2 . 1 1 605 605 SER N N 605 116.666 116.666 113.512 3.154 25280 458 1 2 . 1 1 605 605 SER HA H 605 4.376 4.376 4.698 -0.322 25280 459 1 2 . 1 1 605 605 SER C C 605 174.920 174.920 173.165 1.755 25280 460 1 2 . 1 1 605 605 SER CA C 605 59.160 59.160 58.144 1.016 25280 461 1 2 . 1 1 605 605 SER CB C 605 63.539 63.539 63.187 0.352 25280 462 1 2 . 1 1 605 605 SER H H 605 8.175 8.175 7.974 0.201 25280 463 1 2 . 1 1 606 606 LEU N N 606 123.877 123.877 122.370 1.507 25280 464 1 2 . 1 1 606 606 LEU HA H 606 4.329 4.329 4.482 -0.153 25280 465 1 2 . 1 1 606 606 LEU C C 606 177.666 177.666 175.931 1.735 25280 466 1 2 . 1 1 606 606 LEU CA C 606 55.735 55.735 54.351 1.384 25280 467 1 2 . 1 1 606 606 LEU CB C 606 42.208 42.208 42.787 -0.579 25280 468 1 2 . 1 1 606 606 LEU H H 606 8.098 8.098 8.237 -0.139 25280 469 1 2 . 1 1 607 607 LEU N N 607 121.714 121.714 118.147 3.567 25280 470 1 2 . 1 1 607 607 LEU HA H 607 4.311 4.311 4.448 -0.137 25280 471 1 2 . 1 1 607 607 LEU C C 607 177.811 177.811 176.973 0.838 25280 472 1 2 . 1 1 607 607 LEU CA C 607 55.664 55.664 54.597 1.067 25280 473 1 2 . 1 1 607 607 LEU CB C 607 42.312 42.312 42.426 -0.114 25280 474 1 2 . 1 1 607 607 LEU H H 607 8.015 8.015 7.373 0.642 25280 475 1 2 . 1 1 608 608 GLU N N 608 121.023 121.023 122.743 -1.720 25280 476 1 2 . 1 1 608 608 GLU HA H 608 4.204 4.204 4.292 -0.088 25280 477 1 2 . 1 1 608 608 GLU C C 608 176.604 176.604 176.834 -0.230 25280 478 1 2 . 1 1 608 608 GLU CA C 608 56.781 56.781 56.057 0.724 25280 479 1 2 . 1 1 608 608 GLU CB C 608 30.050 30.050 28.773 1.277 25280 480 1 2 . 1 1 608 608 GLU H H 608 8.195 8.195 8.887 -0.692 25280 481 1 2 . 1 1 609 609 ALA N N 609 124.285 124.285 127.887 -3.602 25280 482 1 2 . 1 1 609 609 ALA HA H 609 4.223 4.223 4.146 0.077 25280 483 1 2 . 1 1 609 609 ALA C C 609 177.700 177.700 177.792 -0.092 25280 484 1 2 . 1 1 609 609 ALA CA C 609 52.977 52.977 54.150 -1.173 25280 485 1 2 . 1 1 609 609 ALA CB C 609 19.185 19.185 18.934 0.251 25280 486 1 2 . 1 1 609 609 ALA H H 609 8.156 8.156 8.088 0.068 25280 487 1 2 . 1 1 610 610 ASP N N 610 119.248 119.248 118.494 0.754 25280 488 1 2 . 1 1 610 610 ASP HA H 610 4.549 4.549 4.417 0.132 25280 489 1 2 . 1 1 610 610 ASP C C 610 176.353 176.353 177.722 -1.369 25280 490 1 2 . 1 1 610 610 ASP CA C 610 54.344 54.344 56.385 -2.041 25280 491 1 2 . 1 1 610 610 ASP CB C 610 41.237 41.237 40.295 0.942 25280 492 1 2 . 1 1 610 610 ASP H H 610 8.215 8.215 8.260 -0.045 25280 493 1 2 . 1 1 611 611 ALA N N 611 124.813 124.813 120.383 4.430 25280 494 1 2 . 1 1 611 611 ALA C C 611 178.431 178.431 178.568 -0.137 25280 495 1 2 . 1 1 611 611 ALA CA C 611 53.032 53.032 53.353 -0.321 25280 496 1 2 . 1 1 611 611 ALA CB C 611 19.186 19.186 19.167 0.019 25280 497 1 2 . 1 1 611 611 ALA H H 611 8.211 8.211 7.448 0.763 25280 498 1 2 . 1 1 612 612 GLY N N 612 107.402 107.402 107.352 0.050 25280 499 1 2 . 1 1 612 612 GLY C C 612 174.554 174.554 174.800 -0.246 25280 500 1 2 . 1 1 612 612 GLY CA C 612 45.512 45.512 45.295 0.217 25280 501 1 2 . 1 1 612 612 GLY H H 612 8.417 8.417 8.220 0.197 25280 502 1 2 . 1 1 613 613 LEU N N 613 121.201 121.201 120.618 0.583 25280 503 1 2 . 1 1 613 613 LEU HA H 613 4.294 4.294 4.014 0.280 25280 504 1 2 . 1 1 613 613 LEU C C 613 178.034 178.034 178.907 -0.873 25280 505 1 2 . 1 1 613 613 LEU CA C 613 55.410 55.410 55.443 -0.033 25280 506 1 2 . 1 1 613 613 LEU CB C 613 42.337 42.337 41.955 0.382 25280 507 1 2 . 1 1 613 613 LEU H H 613 8.032 8.032 8.099 -0.067 25280 508 1 2 . 1 1 614 614 GLY N N 614 109.395 109.395 105.952 3.443 25280 509 1 2 . 1 1 614 614 GLY C C 614 174.274 174.274 174.059 0.215 25280 510 1 2 . 1 1 614 614 GLY CA C 614 45.088 45.088 44.858 0.230 25280 511 1 2 . 1 1 614 614 GLY H H 614 8.438 8.438 8.888 -0.450 25280 512 1 2 . 1 1 615 615 GLY N N 615 108.795 108.795 107.535 1.260 25280 513 1 2 . 1 1 615 615 GLY CA C 615 44.453 44.453 44.398 0.055 25280 514 1 2 . 1 1 615 615 GLY H H 615 8.048 8.048 7.798 0.250 25280 515 1 2 . 1 1 616 616 PRO HA H 616 4.416 4.416 4.602 -0.186 25280 516 1 2 . 1 1 616 616 PRO C C 616 177.062 177.062 176.352 0.710 25280 517 1 2 . 1 1 616 616 PRO CA C 616 63.037 63.037 62.828 0.209 25280 518 1 2 . 1 1 616 616 PRO CB C 616 32.164 32.164 32.765 -0.601 25280 519 1 2 . 1 1 617 617 VAL N N 617 119.919 119.919 122.326 -2.407 25280 520 1 2 . 1 1 617 617 VAL HA H 617 4.041 4.041 4.261 -0.220 25280 521 1 2 . 1 1 617 617 VAL C C 617 175.491 175.491 175.664 -0.173 25280 522 1 2 . 1 1 617 617 VAL CA C 617 62.085 62.085 61.934 0.151 25280 523 1 2 . 1 1 617 617 VAL CB C 617 32.975 32.975 33.982 -1.007 25280 524 1 2 . 1 1 617 617 VAL H H 617 8.207 8.207 8.197 0.010 25280 525 1 2 . 1 1 618 618 ASP N N 618 123.606 123.606 127.753 -4.147 25280 526 1 2 . 1 1 618 618 ASP HA H 618 4.546 4.546 4.754 -0.208 25280 527 1 2 . 1 1 618 618 ASP C C 618 175.875 175.875 175.162 0.713 25280 528 1 2 . 1 1 618 618 ASP CA C 618 53.977 53.977 53.977 0.000 25280 529 1 2 . 1 1 618 618 ASP CB C 618 41.472 41.472 39.778 1.694 25280 530 1 2 . 1 1 618 618 ASP H H 618 8.264 8.264 8.561 -0.297 25280 531 1 2 . 1 1 619 619 PHE N N 619 121.642 121.642 123.798 -2.156 25280 532 1 2 . 1 1 619 619 PHE HA H 619 4.578 4.578 4.556 0.022 25280 533 1 2 . 1 1 619 619 PHE C C 619 175.905 175.905 175.674 0.231 25280 534 1 2 . 1 1 619 619 PHE CA C 619 57.977 57.977 57.882 0.095 25280 535 1 2 . 1 1 619 619 PHE CB C 619 39.363 39.363 40.550 -1.187 25280 536 1 2 . 1 1 619 619 PHE H H 619 8.263 8.263 7.945 0.318 25280 537 1 2 . 1 1 620 620 SER N N 620 117.019 117.019 119.988 -2.969 25280 538 1 2 . 1 1 620 620 SER HA H 620 4.325 4.325 4.228 0.097 25280 539 1 2 . 1 1 620 620 SER C C 620 173.926 173.926 173.327 0.599 25280 540 1 2 . 1 1 620 620 SER CA C 620 58.935 58.935 57.373 1.562 25280 541 1 2 . 1 1 620 620 SER CB C 620 63.804 63.804 63.799 0.005 25280 542 1 2 . 1 1 620 620 SER H H 620 8.274 8.274 7.508 0.766 25280 543 1 2 . 1 1 621 621 ASP N N 621 121.939 121.939 121.807 0.132 25280 544 1 2 . 1 1 621 621 ASP HA H 621 4.596 4.596 4.720 -0.124 25280 545 1 2 . 1 1 621 621 ASP C C 621 175.540 175.540 175.195 0.345 25280 546 1 2 . 1 1 621 621 ASP CA C 621 54.099 54.099 54.114 -0.015 25280 547 1 2 . 1 1 621 621 ASP CB C 621 41.098 41.098 41.631 -0.533 25280 548 1 2 . 1 1 621 621 ASP H H 621 8.218 8.218 8.384 -0.166 25280 549 1 2 . 1 1 622 622 LEU N N 622 122.946 122.946 122.288 0.658 25280 550 1 2 . 1 1 622 622 LEU HA H 622 4.513 4.513 4.558 -0.045 25280 551 1 2 . 1 1 622 622 LEU CA C 622 52.999 52.999 53.613 -0.614 25280 552 1 2 . 1 1 622 622 LEU CB C 622 41.847 41.847 42.821 -0.974 25280 553 1 2 . 1 1 622 622 LEU H H 622 7.900 7.900 8.182 -0.282 25280 554 1 2 . 1 1 623 623 PRO HA H 623 4.335 4.335 4.509 -0.174 25280 555 1 2 . 1 1 623 623 PRO C C 623 176.233 176.233 176.055 0.178 25280 556 1 2 . 1 1 623 623 PRO CA C 623 62.969 62.969 62.380 0.589 25280 557 1 2 . 1 1 623 623 PRO CB C 623 31.645 31.645 32.057 -0.412 25280 558 1 2 . 1 1 624 624 TRP N N 624 122.332 122.332 124.359 -2.027 25280 559 1 2 . 1 1 624 624 TRP HA H 624 4.903 4.903 4.683 0.220 25280 560 1 2 . 1 1 624 624 TRP CA C 624 54.676 54.676 55.769 -1.093 25280 561 1 2 . 1 1 624 624 TRP CB C 624 29.101 29.101 28.517 0.584 25280 562 1 2 . 1 1 624 624 TRP H H 624 7.967 7.967 8.460 -0.493 25280 563 1 2 . 1 1 625 625 PRO HA H 625 4.400 4.400 4.204 0.196 25280 564 1 2 . 1 1 625 625 PRO C C 625 175.842 175.842 176.015 -0.173 25280 565 1 2 . 1 1 625 625 PRO CA C 625 63.221 63.221 63.442 -0.221 25280 566 1 2 . 1 1 625 625 PRO CB C 625 31.812 31.812 32.113 -0.301 25280 567 1 3 . 1 1 574 574 MET N N 574 117.950 117.950 121.052 -3.102 25280 568 1 3 . 1 1 574 574 MET HA H 574 4.485 4.485 4.510 -0.025 25280 569 1 3 . 1 1 574 574 MET C C 574 175.669 175.669 175.634 0.035 25280 570 1 3 . 1 1 574 574 MET CA C 574 54.944 54.944 54.564 0.380 25280 571 1 3 . 1 1 574 574 MET CB C 574 32.476 32.476 33.434 -0.958 25280 572 1 3 . 1 1 574 574 MET H H 574 8.461 8.461 8.182 0.279 25280 573 1 3 . 1 1 575 575 ASP N N 575 122.898 122.898 122.189 0.709 25280 574 1 3 . 1 1 575 575 ASP CA C 575 52.807 52.807 53.436 -0.629 25280 575 1 3 . 1 1 575 575 ASP CB C 575 40.926 40.926 40.701 0.225 25280 576 1 3 . 1 1 575 575 ASP H H 575 8.101 8.101 8.390 -0.289 25280 577 1 3 . 1 1 576 576 PRO HA H 576 4.344 4.344 4.504 -0.160 25280 578 1 3 . 1 1 576 576 PRO C C 576 177.044 177.044 177.171 -0.127 25280 579 1 3 . 1 1 576 576 PRO CA C 576 63.623 63.623 62.873 0.750 25280 580 1 3 . 1 1 576 576 PRO CB C 576 32.082 32.082 32.654 -0.572 25280 581 1 3 . 1 1 577 577 GLU N N 577 119.542 119.542 121.763 -2.221 25280 582 1 3 . 1 1 577 577 GLU HA H 577 4.122 4.122 4.100 0.022 25280 583 1 3 . 1 1 577 577 GLU C C 577 176.229 176.229 176.253 -0.024 25280 584 1 3 . 1 1 577 577 GLU CA C 577 56.941 56.941 57.153 -0.212 25280 585 1 3 . 1 1 577 577 GLU CB C 577 30.073 30.073 29.580 0.493 25280 586 1 3 . 1 1 577 577 GLU H H 577 8.524 8.524 8.725 -0.201 25280 587 1 3 . 1 1 578 578 PHE N N 578 120.435 120.435 119.025 1.410 25280 588 1 3 . 1 1 578 578 PHE HA H 578 4.605 4.605 4.455 0.150 25280 589 1 3 . 1 1 578 578 PHE C C 578 175.385 175.385 176.170 -0.785 25280 590 1 3 . 1 1 578 578 PHE CA C 578 57.624 57.624 58.061 -0.437 25280 591 1 3 . 1 1 578 578 PHE CB C 578 39.740 39.740 39.411 0.329 25280 592 1 3 . 1 1 578 578 PHE H H 578 8.076 8.076 7.751 0.325 25280 593 1 3 . 1 1 579 579 ILE N N 579 123.348 123.348 124.325 -0.977 25280 594 1 3 . 1 1 579 579 ILE HA H 579 4.089 4.089 4.273 -0.184 25280 595 1 3 . 1 1 579 579 ILE C C 579 176.118 176.118 176.387 -0.269 25280 596 1 3 . 1 1 579 579 ILE CA C 579 61.181 61.181 60.696 0.485 25280 597 1 3 . 1 1 579 579 ILE CB C 579 38.751 38.751 37.539 1.212 25280 598 1 3 . 1 1 579 579 ILE H H 579 7.917 7.917 8.439 -0.522 25280 599 1 3 . 1 1 580 580 GLY N N 580 112.431 112.431 115.931 -3.500 25280 600 1 3 . 1 1 580 580 GLY C C 580 173.918 173.918 174.675 -0.757 25280 601 1 3 . 1 1 580 580 GLY CA C 580 45.395 45.395 44.597 0.798 25280 602 1 3 . 1 1 580 580 GLY H H 580 8.051 8.051 8.482 -0.431 25280 603 1 3 . 1 1 581 581 ILE N N 581 119.415 119.415 121.678 -2.263 25280 604 1 3 . 1 1 581 581 ILE HA H 581 4.176 4.176 4.369 -0.193 25280 605 1 3 . 1 1 581 581 ILE C C 581 175.785 175.785 175.503 0.282 25280 606 1 3 . 1 1 581 581 ILE CA C 581 61.159 61.159 60.237 0.922 25280 607 1 3 . 1 1 581 581 ILE CB C 581 39.139 39.139 37.841 1.298 25280 608 1 3 . 1 1 581 581 ILE H H 581 7.925 7.925 8.109 -0.184 25280 609 1 3 . 1 1 582 582 ASP N N 582 123.440 123.440 127.124 -3.684 25280 610 1 3 . 1 1 582 582 ASP HA H 582 4.565 4.565 4.709 -0.144 25280 611 1 3 . 1 1 582 582 ASP C C 582 175.891 175.891 176.085 -0.194 25280 612 1 3 . 1 1 582 582 ASP CA C 582 54.394 54.394 53.191 1.203 25280 613 1 3 . 1 1 582 582 ASP CB C 582 41.070 41.070 41.611 -0.541 25280 614 1 3 . 1 1 582 582 ASP H H 582 8.428 8.428 8.408 0.020 25280 615 1 3 . 1 1 583 583 MET N N 583 120.813 120.813 119.844 0.969 25280 616 1 3 . 1 1 583 583 MET HA H 583 4.458 4.458 4.343 0.115 25280 617 1 3 . 1 1 583 583 MET C C 583 175.962 175.962 175.145 0.817 25280 618 1 3 . 1 1 583 583 MET CA C 583 55.401 55.401 56.405 -1.004 25280 619 1 3 . 1 1 583 583 MET CB C 583 32.942 32.942 32.714 0.228 25280 620 1 3 . 1 1 583 583 MET H H 583 8.207 8.207 8.254 -0.047 25280 621 1 3 . 1 1 584 584 ILE N N 584 122.088 122.088 123.237 -1.149 25280 622 1 3 . 1 1 584 584 ILE HA H 584 4.113 4.113 4.260 -0.147 25280 623 1 3 . 1 1 584 584 ILE C C 584 175.758 175.758 174.882 0.876 25280 624 1 3 . 1 1 584 584 ILE CA C 584 61.193 61.193 61.210 -0.017 25280 625 1 3 . 1 1 584 584 ILE CB C 584 38.815 38.815 39.224 -0.409 25280 626 1 3 . 1 1 584 584 ILE H H 584 8.090 8.090 8.162 -0.072 25280 627 1 3 . 1 1 585 585 ASP N N 585 124.211 124.211 127.458 -3.247 25280 628 1 3 . 1 1 585 585 ASP HA H 585 4.603 4.603 4.943 -0.340 25280 629 1 3 . 1 1 585 585 ASP C C 585 175.880 175.880 176.057 -0.177 25280 630 1 3 . 1 1 585 585 ASP CA C 585 54.213 54.213 53.390 0.823 25280 631 1 3 . 1 1 585 585 ASP CB C 585 41.175 41.175 41.395 -0.220 25280 632 1 3 . 1 1 585 585 ASP H H 585 8.395 8.395 8.644 -0.249 25280 633 1 3 . 1 1 586 586 ASN N N 586 119.932 119.932 119.088 0.844 25280 634 1 3 . 1 1 586 586 ASN HA H 586 4.681 4.681 4.462 0.219 25280 635 1 3 . 1 1 586 586 ASN C C 586 175.085 175.085 176.120 -1.035 25280 636 1 3 . 1 1 586 586 ASN CA C 586 53.488 53.488 55.419 -1.931 25280 637 1 3 . 1 1 586 586 ASN CB C 586 39.212 39.212 38.268 0.944 25280 638 1 3 . 1 1 586 586 ASN H H 586 8.362 8.362 8.788 -0.426 25280 639 1 3 . 1 1 587 587 ASP N N 587 120.991 120.991 119.136 1.855 25280 640 1 3 . 1 1 587 587 ASP HA H 587 4.584 4.584 4.391 0.193 25280 641 1 3 . 1 1 587 587 ASP C C 587 176.594 176.594 177.772 -1.178 25280 642 1 3 . 1 1 587 587 ASP CA C 587 54.770 54.770 56.329 -1.559 25280 643 1 3 . 1 1 587 587 ASP CB C 587 41.113 41.113 39.724 1.389 25280 644 1 3 . 1 1 587 587 ASP H H 587 8.417 8.417 8.509 -0.092 25280 645 1 3 . 1 1 588 588 GLN N N 588 120.536 120.536 119.112 1.424 25280 646 1 3 . 1 1 588 588 GLN HA H 588 4.276 4.276 4.130 0.146 25280 647 1 3 . 1 1 588 588 GLN C C 588 176.825 176.825 177.610 -0.785 25280 648 1 3 . 1 1 588 588 GLN CA C 588 56.197 56.197 56.605 -0.408 25280 649 1 3 . 1 1 588 588 GLN CB C 588 29.189 29.189 28.699 0.490 25280 650 1 3 . 1 1 588 588 GLN H H 588 8.351 8.351 8.096 0.255 25280 651 1 3 . 1 1 589 589 GLY N N 589 109.481 109.481 107.303 2.178 25280 652 1 3 . 1 1 589 589 GLY C C 589 174.353 174.353 174.190 0.163 25280 653 1 3 . 1 1 589 589 GLY CA C 589 45.495 45.495 45.599 -0.104 25280 654 1 3 . 1 1 589 589 GLY H H 589 8.440 8.440 7.942 0.498 25280 655 1 3 . 1 1 590 590 SER N N 590 115.518 115.518 114.029 1.489 25280 656 1 3 . 1 1 590 590 SER HA H 590 4.493 4.493 4.840 -0.347 25280 657 1 3 . 1 1 590 590 SER C C 590 174.643 174.643 174.116 0.527 25280 658 1 3 . 1 1 590 590 SER CA C 590 58.215 58.215 56.949 1.266 25280 659 1 3 . 1 1 590 590 SER CB C 590 63.883 63.883 64.573 -0.690 25280 660 1 3 . 1 1 590 590 SER H H 590 8.187 8.187 7.850 0.337 25280 661 1 3 . 1 1 591 591 SER N N 591 117.781 117.781 117.796 -0.015 25280 662 1 3 . 1 1 591 591 SER HA H 591 4.518 4.518 4.746 -0.228 25280 663 1 3 . 1 1 591 591 SER C C 591 174.128 174.128 173.107 1.021 25280 664 1 3 . 1 1 591 591 SER CA C 591 58.151 58.151 58.366 -0.215 25280 665 1 3 . 1 1 591 591 SER CB C 591 63.838 63.838 63.748 0.090 25280 666 1 3 . 1 1 591 591 SER H H 591 8.362 8.362 8.562 -0.200 25280 667 1 3 . 1 1 592 592 SER N N 592 118.898 118.898 117.474 1.424 25280 668 1 3 . 1 1 592 592 SER CA C 592 56.483 56.483 56.410 0.073 25280 669 1 3 . 1 1 592 592 SER CB C 592 63.507 63.507 63.632 -0.125 25280 670 1 3 . 1 1 592 592 SER H H 592 8.336 8.336 8.204 0.132 25280 671 1 3 . 1 1 593 593 PRO HA H 593 4.459 4.459 4.712 -0.253 25280 672 1 3 . 1 1 593 593 PRO C C 593 177.037 177.037 177.479 -0.442 25280 673 1 3 . 1 1 593 593 PRO CA C 593 63.337 63.337 62.693 0.644 25280 674 1 3 . 1 1 593 593 PRO CB C 593 32.146 32.146 32.827 -0.680 25280 675 1 3 . 1 1 594 594 SER N N 594 116.126 116.126 120.010 -3.884 25280 676 1 3 . 1 1 594 594 SER HA H 594 4.405 4.405 4.271 0.134 25280 677 1 3 . 1 1 594 594 SER C C 594 174.478 174.478 175.635 -1.157 25280 678 1 3 . 1 1 594 594 SER CA C 594 58.283 58.283 59.922 -1.639 25280 679 1 3 . 1 1 594 594 SER CB C 594 63.781 63.781 63.191 0.591 25280 680 1 3 . 1 1 594 594 SER H H 594 8.436 8.436 8.764 -0.328 25280 681 1 3 . 1 1 595 595 ASN N N 595 120.920 120.920 120.511 0.409 25280 682 1 3 . 1 1 595 595 ASN HA H 595 4.711 4.711 4.521 0.190 25280 683 1 3 . 1 1 595 595 ASN C C 595 175.089 175.089 177.165 -2.076 25280 684 1 3 . 1 1 595 595 ASN CA C 595 53.483 53.483 55.484 -2.001 25280 685 1 3 . 1 1 595 595 ASN CB C 595 39.060 39.060 38.228 0.832 25280 686 1 3 . 1 1 595 595 ASN H H 595 8.460 8.460 8.298 0.162 25280 687 1 3 . 1 1 596 596 ASP N N 596 121.047 121.047 118.895 2.152 25280 688 1 3 . 1 1 596 596 ASP HA H 596 4.562 4.562 4.472 0.090 25280 689 1 3 . 1 1 596 596 ASP C C 596 176.666 176.666 177.819 -1.153 25280 690 1 3 . 1 1 596 596 ASP CA C 596 54.776 54.776 56.382 -1.606 25280 691 1 3 . 1 1 596 596 ASP CB C 596 41.079 41.079 40.277 0.802 25280 692 1 3 . 1 1 596 596 ASP H H 596 8.304 8.304 8.061 0.243 25280 693 1 3 . 1 1 597 597 GLU N N 597 121.766 121.766 119.348 2.418 25280 694 1 3 . 1 1 597 597 GLU HA H 597 4.108 4.108 4.098 0.010 25280 695 1 3 . 1 1 597 597 GLU C C 597 177.474 177.474 178.768 -1.294 25280 696 1 3 . 1 1 597 597 GLU CA C 597 57.983 57.983 58.539 -0.556 25280 697 1 3 . 1 1 597 597 GLU CB C 597 29.907 29.907 29.059 0.848 25280 698 1 3 . 1 1 597 597 GLU H H 597 8.386 8.386 7.664 0.722 25280 699 1 3 . 1 1 598 598 ALA N N 598 123.873 123.873 122.288 1.585 25280 700 1 3 . 1 1 598 598 ALA C C 598 178.598 178.598 179.565 -0.967 25280 701 1 3 . 1 1 598 598 ALA CA C 598 53.540 53.540 54.642 -1.102 25280 702 1 3 . 1 1 598 598 ALA CB C 598 18.651 18.651 18.048 0.603 25280 703 1 3 . 1 1 598 598 ALA H H 598 8.238 8.238 7.701 0.537 25280 704 1 3 . 1 1 599 599 ALA N N 599 122.041 122.041 120.578 1.463 25280 705 1 3 . 1 1 599 599 ALA HA H 599 4.225 4.225 4.035 0.190 25280 706 1 3 . 1 1 599 599 ALA C C 599 178.877 178.877 179.591 -0.714 25280 707 1 3 . 1 1 599 599 ALA CA C 599 53.382 53.382 54.588 -1.206 25280 708 1 3 . 1 1 599 599 ALA CB C 599 18.779 18.779 18.164 0.615 25280 709 1 3 . 1 1 599 599 ALA H H 599 8.017 8.017 7.707 0.310 25280 710 1 3 . 1 1 600 600 MET N N 600 118.403 118.403 118.716 -0.313 25280 711 1 3 . 1 1 600 600 MET HA H 600 4.386 4.386 4.169 0.217 25280 712 1 3 . 1 1 600 600 MET C C 600 176.628 176.628 177.807 -1.179 25280 713 1 3 . 1 1 600 600 MET CA C 600 56.058 56.058 58.336 -2.277 25280 714 1 3 . 1 1 600 600 MET CB C 600 32.504 32.504 32.575 -0.071 25280 715 1 3 . 1 1 600 600 MET H H 600 8.096 8.096 7.672 0.424 25280 716 1 3 . 1 1 601 601 ALA N N 601 123.911 123.911 121.023 2.888 25280 717 1 3 . 1 1 601 601 ALA HA H 601 4.228 4.228 4.112 0.116 25280 718 1 3 . 1 1 601 601 ALA C C 601 178.582 178.582 178.929 -0.347 25280 719 1 3 . 1 1 601 601 ALA CA C 601 53.415 53.415 54.584 -1.169 25280 720 1 3 . 1 1 601 601 ALA CB C 601 18.732 18.732 17.850 0.882 25280 721 1 3 . 1 1 601 601 ALA H H 601 8.049 8.049 7.797 0.252 25280 722 1 3 . 1 1 602 602 VAL N N 602 119.320 119.320 118.736 0.584 25280 723 1 3 . 1 1 602 602 VAL HA H 602 3.938 3.938 3.744 0.194 25280 724 1 3 . 1 1 602 602 VAL C C 602 176.902 176.902 178.009 -1.107 25280 725 1 3 . 1 1 602 602 VAL CA C 602 63.561 63.561 66.300 -2.739 25280 726 1 3 . 1 1 602 602 VAL CB C 602 32.473 32.473 31.795 0.678 25280 727 1 3 . 1 1 602 602 VAL H H 602 7.844 7.844 7.377 0.467 25280 728 1 3 . 1 1 603 603 ILE N N 603 123.836 123.836 118.826 5.010 25280 729 1 3 . 1 1 603 603 ILE HA H 603 3.994 3.994 3.663 0.331 25280 730 1 3 . 1 1 603 603 ILE C C 603 177.039 177.039 177.438 -0.399 25280 731 1 3 . 1 1 603 603 ILE CA C 603 62.259 62.259 63.876 -1.617 25280 732 1 3 . 1 1 603 603 ILE CB C 603 38.292 38.292 37.793 0.499 25280 733 1 3 . 1 1 603 603 ILE H H 603 8.003 8.003 7.587 0.416 25280 734 1 3 . 1 1 604 604 MET N N 604 122.698 122.698 118.640 4.058 25280 735 1 3 . 1 1 604 604 MET HA H 604 4.412 4.412 4.245 0.167 25280 736 1 3 . 1 1 604 604 MET C C 604 176.884 176.884 175.872 1.012 25280 737 1 3 . 1 1 604 604 MET CA C 604 56.136 56.136 57.102 -0.966 25280 738 1 3 . 1 1 604 604 MET CB C 604 32.466 32.466 33.597 -1.131 25280 739 1 3 . 1 1 604 604 MET H H 604 8.414 8.414 7.634 0.780 25280 740 1 3 . 1 1 605 605 SER N N 605 116.666 116.666 112.235 4.431 25280 741 1 3 . 1 1 605 605 SER HA H 605 4.376 4.376 4.625 -0.249 25280 742 1 3 . 1 1 605 605 SER C C 605 174.920 174.920 173.706 1.214 25280 743 1 3 . 1 1 605 605 SER CA C 605 59.160 59.160 57.720 1.440 25280 744 1 3 . 1 1 605 605 SER CB C 605 63.539 63.539 64.100 -0.561 25280 745 1 3 . 1 1 605 605 SER H H 605 8.175 8.175 7.554 0.621 25280 746 1 3 . 1 1 606 606 LEU N N 606 123.877 123.877 120.238 3.639 25280 747 1 3 . 1 1 606 606 LEU HA H 606 4.329 4.329 4.672 -0.343 25280 748 1 3 . 1 1 606 606 LEU C C 606 177.666 177.666 175.520 2.146 25280 749 1 3 . 1 1 606 606 LEU CA C 606 55.735 55.735 54.767 0.968 25280 750 1 3 . 1 1 606 606 LEU CB C 606 42.208 42.208 42.682 -0.474 25280 751 1 3 . 1 1 606 606 LEU H H 606 8.098 8.098 8.372 -0.274 25280 752 1 3 . 1 1 607 607 LEU N N 607 121.714 121.714 122.461 -0.747 25280 753 1 3 . 1 1 607 607 LEU HA H 607 4.311 4.311 4.435 -0.124 25280 754 1 3 . 1 1 607 607 LEU C C 607 177.811 177.811 176.181 1.630 25280 755 1 3 . 1 1 607 607 LEU CA C 607 55.664 55.664 54.683 0.981 25280 756 1 3 . 1 1 607 607 LEU CB C 607 42.312 42.312 42.800 -0.488 25280 757 1 3 . 1 1 607 607 LEU H H 607 8.015 8.015 7.477 0.538 25280 758 1 3 . 1 1 608 608 GLU N N 608 121.023 121.023 126.964 -5.941 25280 759 1 3 . 1 1 608 608 GLU HA H 608 4.204 4.204 4.354 -0.150 25280 760 1 3 . 1 1 608 608 GLU C C 608 176.604 176.604 176.502 0.102 25280 761 1 3 . 1 1 608 608 GLU CA C 608 56.781 56.781 55.837 0.944 25280 762 1 3 . 1 1 608 608 GLU CB C 608 30.050 30.050 28.811 1.239 25280 763 1 3 . 1 1 608 608 GLU H H 608 8.195 8.195 8.876 -0.681 25280 764 1 3 . 1 1 609 609 ALA N N 609 124.285 124.285 128.344 -4.059 25280 765 1 3 . 1 1 609 609 ALA HA H 609 4.223 4.223 3.982 0.241 25280 766 1 3 . 1 1 609 609 ALA C C 609 177.700 177.700 177.869 -0.169 25280 767 1 3 . 1 1 609 609 ALA CA C 609 52.977 52.977 55.057 -2.080 25280 768 1 3 . 1 1 609 609 ALA CB C 609 19.185 19.185 19.120 0.065 25280 769 1 3 . 1 1 609 609 ALA H H 609 8.156 8.156 8.041 0.115 25280 770 1 3 . 1 1 610 610 ASP N N 610 119.248 119.248 117.654 1.594 25280 771 1 3 . 1 1 610 610 ASP HA H 610 4.549 4.549 4.400 0.149 25280 772 1 3 . 1 1 610 610 ASP C C 610 176.353 176.353 177.405 -1.052 25280 773 1 3 . 1 1 610 610 ASP CA C 610 54.344 54.344 55.833 -1.489 25280 774 1 3 . 1 1 610 610 ASP CB C 610 41.237 41.237 40.480 0.757 25280 775 1 3 . 1 1 610 610 ASP H H 610 8.215 8.215 8.285 -0.070 25280 776 1 3 . 1 1 611 611 ALA N N 611 124.813 124.813 120.073 4.740 25280 777 1 3 . 1 1 611 611 ALA C C 611 178.431 178.431 178.490 -0.059 25280 778 1 3 . 1 1 611 611 ALA CA C 611 53.032 53.032 53.016 0.016 25280 779 1 3 . 1 1 611 611 ALA CB C 611 19.186 19.186 19.221 -0.035 25280 780 1 3 . 1 1 611 611 ALA H H 611 8.211 8.211 7.397 0.814 25280 781 1 3 . 1 1 612 612 GLY N N 612 107.402 107.402 105.571 1.831 25280 782 1 3 . 1 1 612 612 GLY C C 612 174.554 174.554 174.460 0.094 25280 783 1 3 . 1 1 612 612 GLY CA C 612 45.512 45.512 44.866 0.646 25280 784 1 3 . 1 1 612 612 GLY H H 612 8.417 8.417 7.702 0.715 25280 785 1 3 . 1 1 613 613 LEU N N 613 121.201 121.201 121.117 0.084 25280 786 1 3 . 1 1 613 613 LEU HA H 613 4.294 4.294 4.095 0.199 25280 787 1 3 . 1 1 613 613 LEU C C 613 178.034 178.034 177.654 0.380 25280 788 1 3 . 1 1 613 613 LEU CA C 613 55.410 55.410 55.223 0.187 25280 789 1 3 . 1 1 613 613 LEU CB C 613 42.337 42.337 42.132 0.205 25280 790 1 3 . 1 1 613 613 LEU H H 613 8.032 8.032 7.661 0.371 25280 791 1 3 . 1 1 614 614 GLY N N 614 109.395 109.395 108.235 1.160 25280 792 1 3 . 1 1 614 614 GLY C C 614 174.274 174.274 174.433 -0.159 25280 793 1 3 . 1 1 614 614 GLY CA C 614 45.088 45.088 44.578 0.510 25280 794 1 3 . 1 1 614 614 GLY H H 614 8.438 8.438 8.653 -0.215 25280 795 1 3 . 1 1 615 615 GLY N N 615 108.795 108.795 110.761 -1.966 25280 796 1 3 . 1 1 615 615 GLY CA C 615 44.453 44.453 43.840 0.613 25280 797 1 3 . 1 1 615 615 GLY H H 615 8.048 8.048 7.697 0.351 25280 798 1 3 . 1 1 616 616 PRO HA H 616 4.416 4.416 4.418 -0.002 25280 799 1 3 . 1 1 616 616 PRO C C 616 177.062 177.062 175.928 1.134 25280 800 1 3 . 1 1 616 616 PRO CA C 616 63.037 63.037 62.752 0.285 25280 801 1 3 . 1 1 616 616 PRO CB C 616 32.164 32.164 32.232 -0.068 25280 802 1 3 . 1 1 617 617 VAL N N 617 119.919 119.919 119.043 0.876 25280 803 1 3 . 1 1 617 617 VAL HA H 617 4.041 4.041 4.231 -0.190 25280 804 1 3 . 1 1 617 617 VAL C C 617 175.491 175.491 175.269 0.222 25280 805 1 3 . 1 1 617 617 VAL CA C 617 62.085 62.085 61.510 0.575 25280 806 1 3 . 1 1 617 617 VAL CB C 617 32.975 32.975 32.996 -0.021 25280 807 1 3 . 1 1 617 617 VAL H H 617 8.207 8.207 7.954 0.253 25280 808 1 3 . 1 1 618 618 ASP N N 618 123.606 123.606 125.416 -1.810 25280 809 1 3 . 1 1 618 618 ASP HA H 618 4.546 4.546 4.515 0.031 25280 810 1 3 . 1 1 618 618 ASP C C 618 175.875 175.875 175.903 -0.028 25280 811 1 3 . 1 1 618 618 ASP CA C 618 53.977 53.977 54.205 -0.228 25280 812 1 3 . 1 1 618 618 ASP CB C 618 41.472 41.472 41.441 0.031 25280 813 1 3 . 1 1 618 618 ASP H H 618 8.264 8.264 8.432 -0.168 25280 814 1 3 . 1 1 619 619 PHE N N 619 121.642 121.642 120.000 1.642 25280 815 1 3 . 1 1 619 619 PHE HA H 619 4.578 4.578 4.528 0.050 25280 816 1 3 . 1 1 619 619 PHE C C 619 175.905 175.905 176.857 -0.952 25280 817 1 3 . 1 1 619 619 PHE CA C 619 57.977 57.977 57.962 0.014 25280 818 1 3 . 1 1 619 619 PHE CB C 619 39.363 39.363 39.748 -0.385 25280 819 1 3 . 1 1 619 619 PHE H H 619 8.263 8.263 8.209 0.054 25280 820 1 3 . 1 1 620 620 SER N N 620 117.019 117.019 118.878 -1.859 25280 821 1 3 . 1 1 620 620 SER HA H 620 4.325 4.325 4.454 -0.129 25280 822 1 3 . 1 1 620 620 SER C C 620 173.926 173.926 175.079 -1.153 25280 823 1 3 . 1 1 620 620 SER CA C 620 58.935 58.935 58.664 0.271 25280 824 1 3 . 1 1 620 620 SER CB C 620 63.804 63.804 63.597 0.207 25280 825 1 3 . 1 1 620 620 SER H H 620 8.274 8.274 8.432 -0.158 25280 826 1 3 . 1 1 621 621 ASP N N 621 121.939 121.939 127.599 -5.660 25280 827 1 3 . 1 1 621 621 ASP HA H 621 4.596 4.596 4.472 0.124 25280 828 1 3 . 1 1 621 621 ASP C C 621 175.540 175.540 176.666 -1.126 25280 829 1 3 . 1 1 621 621 ASP CA C 621 54.099 54.099 54.619 -0.520 25280 830 1 3 . 1 1 621 621 ASP CB C 621 41.098 41.098 40.383 0.715 25280 831 1 3 . 1 1 621 621 ASP H H 621 8.218 8.218 8.691 -0.473 25280 832 1 3 . 1 1 622 622 LEU N N 622 122.946 122.946 121.055 1.891 25280 833 1 3 . 1 1 622 622 LEU HA H 622 4.513 4.513 4.166 0.347 25280 834 1 3 . 1 1 622 622 LEU CA C 622 52.999 52.999 54.689 -1.690 25280 835 1 3 . 1 1 622 622 LEU CB C 622 41.847 41.847 41.401 0.446 25280 836 1 3 . 1 1 622 622 LEU H H 622 7.900 7.900 8.043 -0.143 25280 837 1 3 . 1 1 623 623 PRO HA H 623 4.335 4.335 4.451 -0.116 25280 838 1 3 . 1 1 623 623 PRO C C 623 176.233 176.233 175.857 0.376 25280 839 1 3 . 1 1 623 623 PRO CA C 623 62.969 62.969 63.613 -0.644 25280 840 1 3 . 1 1 623 623 PRO CB C 623 31.645 31.645 32.176 -0.531 25280 841 1 3 . 1 1 624 624 TRP N N 624 122.332 122.332 125.314 -2.982 25280 842 1 3 . 1 1 624 624 TRP HA H 624 4.903 4.903 4.715 0.188 25280 843 1 3 . 1 1 624 624 TRP CA C 624 54.676 54.676 55.840 -1.165 25280 844 1 3 . 1 1 624 624 TRP CB C 624 29.101 29.101 29.565 -0.464 25280 845 1 3 . 1 1 624 624 TRP H H 624 7.967 7.967 8.447 -0.480 25280 846 1 3 . 1 1 625 625 PRO HA H 625 4.400 4.400 4.628 -0.228 25280 847 1 3 . 1 1 625 625 PRO C C 625 175.842 175.842 175.387 0.455 25280 848 1 3 . 1 1 625 625 PRO CA C 625 63.221 63.221 63.139 0.082 25280 849 1 3 . 1 1 625 625 PRO CB C 625 31.812 31.812 30.609 1.203 25280 850 1 4 . 1 1 574 574 MET N N 574 117.950 117.950 122.443 -4.493 25280 851 1 4 . 1 1 574 574 MET HA H 574 4.485 4.485 4.570 -0.085 25280 852 1 4 . 1 1 574 574 MET C C 574 175.669 175.669 175.531 0.138 25280 853 1 4 . 1 1 574 574 MET CA C 574 54.944 54.944 55.225 -0.281 25280 854 1 4 . 1 1 574 574 MET CB C 574 32.476 32.476 33.012 -0.536 25280 855 1 4 . 1 1 574 574 MET H H 574 8.461 8.461 8.115 0.346 25280 856 1 4 . 1 1 575 575 ASP N N 575 122.898 122.898 127.830 -4.932 25280 857 1 4 . 1 1 575 575 ASP CA C 575 52.807 52.807 52.961 -0.154 25280 858 1 4 . 1 1 575 575 ASP CB C 575 40.926 40.926 41.194 -0.268 25280 859 1 4 . 1 1 575 575 ASP H H 575 8.101 8.101 8.537 -0.436 25280 860 1 4 . 1 1 576 576 PRO HA H 576 4.344 4.344 4.561 -0.217 25280 861 1 4 . 1 1 576 576 PRO C C 576 177.044 177.044 176.572 0.472 25280 862 1 4 . 1 1 576 576 PRO CA C 576 63.623 63.623 63.167 0.456 25280 863 1 4 . 1 1 576 576 PRO CB C 576 32.082 32.082 31.190 0.892 25280 864 1 4 . 1 1 577 577 GLU N N 577 119.542 119.542 121.631 -2.089 25280 865 1 4 . 1 1 577 577 GLU HA H 577 4.122 4.122 4.080 0.042 25280 866 1 4 . 1 1 577 577 GLU C C 577 176.229 176.229 176.645 -0.416 25280 867 1 4 . 1 1 577 577 GLU CA C 577 56.941 56.941 57.404 -0.463 25280 868 1 4 . 1 1 577 577 GLU CB C 577 30.073 30.073 29.498 0.575 25280 869 1 4 . 1 1 577 577 GLU H H 577 8.524 8.524 8.194 0.330 25280 870 1 4 . 1 1 578 578 PHE N N 578 120.435 120.435 118.957 1.478 25280 871 1 4 . 1 1 578 578 PHE HA H 578 4.605 4.605 4.456 0.149 25280 872 1 4 . 1 1 578 578 PHE C C 578 175.385 175.385 176.639 -1.254 25280 873 1 4 . 1 1 578 578 PHE CA C 578 57.624 57.624 57.207 0.417 25280 874 1 4 . 1 1 578 578 PHE CB C 578 39.740 39.740 39.810 -0.070 25280 875 1 4 . 1 1 578 578 PHE H H 578 8.076 8.076 7.599 0.477 25280 876 1 4 . 1 1 579 579 ILE N N 579 123.348 123.348 119.578 3.770 25280 877 1 4 . 1 1 579 579 ILE HA H 579 4.089 4.089 4.252 -0.163 25280 878 1 4 . 1 1 579 579 ILE C C 579 176.118 176.118 176.486 -0.368 25280 879 1 4 . 1 1 579 579 ILE CA C 579 61.181 61.181 61.025 0.156 25280 880 1 4 . 1 1 579 579 ILE CB C 579 38.751 38.751 36.036 2.715 25280 881 1 4 . 1 1 579 579 ILE H H 579 7.917 7.917 8.436 -0.519 25280 882 1 4 . 1 1 580 580 GLY N N 580 112.431 112.431 114.108 -1.677 25280 883 1 4 . 1 1 580 580 GLY C C 580 173.918 173.918 175.185 -1.267 25280 884 1 4 . 1 1 580 580 GLY CA C 580 45.395 45.395 43.993 1.402 25280 885 1 4 . 1 1 580 580 GLY H H 580 8.051 8.051 8.214 -0.163 25280 886 1 4 . 1 1 581 581 ILE N N 581 119.415 119.415 117.143 2.272 25280 887 1 4 . 1 1 581 581 ILE HA H 581 4.176 4.176 4.091 0.085 25280 888 1 4 . 1 1 581 581 ILE C C 581 175.785 175.785 174.550 1.235 25280 889 1 4 . 1 1 581 581 ILE CA C 581 61.159 61.159 60.995 0.164 25280 890 1 4 . 1 1 581 581 ILE CB C 581 39.139 39.139 36.286 2.853 25280 891 1 4 . 1 1 581 581 ILE H H 581 7.925 7.925 8.202 -0.277 25280 892 1 4 . 1 1 582 582 ASP N N 582 123.440 123.440 125.932 -2.492 25280 893 1 4 . 1 1 582 582 ASP HA H 582 4.565 4.565 4.765 -0.200 25280 894 1 4 . 1 1 582 582 ASP C C 582 175.891 175.891 175.517 0.374 25280 895 1 4 . 1 1 582 582 ASP CA C 582 54.394 54.394 53.853 0.541 25280 896 1 4 . 1 1 582 582 ASP CB C 582 41.070 41.070 41.312 -0.242 25280 897 1 4 . 1 1 582 582 ASP H H 582 8.428 8.428 8.191 0.237 25280 898 1 4 . 1 1 583 583 MET N N 583 120.813 120.813 122.407 -1.594 25280 899 1 4 . 1 1 583 583 MET HA H 583 4.458 4.458 4.581 -0.123 25280 900 1 4 . 1 1 583 583 MET C C 583 175.962 175.962 176.418 -0.456 25280 901 1 4 . 1 1 583 583 MET CA C 583 55.401 55.401 54.873 0.528 25280 902 1 4 . 1 1 583 583 MET CB C 583 32.942 32.942 33.254 -0.312 25280 903 1 4 . 1 1 583 583 MET H H 583 8.207 8.207 8.605 -0.398 25280 904 1 4 . 1 1 584 584 ILE N N 584 122.088 122.088 124.808 -2.720 25280 905 1 4 . 1 1 584 584 ILE HA H 584 4.113 4.113 4.282 -0.169 25280 906 1 4 . 1 1 584 584 ILE C C 584 175.758 175.758 175.101 0.657 25280 907 1 4 . 1 1 584 584 ILE CA C 584 61.193 61.193 60.836 0.357 25280 908 1 4 . 1 1 584 584 ILE CB C 584 38.815 38.815 39.812 -0.997 25280 909 1 4 . 1 1 584 584 ILE H H 584 8.090 8.090 8.310 -0.220 25280 910 1 4 . 1 1 585 585 ASP N N 585 124.211 124.211 126.974 -2.763 25280 911 1 4 . 1 1 585 585 ASP HA H 585 4.603 4.603 4.698 -0.095 25280 912 1 4 . 1 1 585 585 ASP C C 585 175.880 175.880 176.293 -0.413 25280 913 1 4 . 1 1 585 585 ASP CA C 585 54.213 54.213 52.760 1.453 25280 914 1 4 . 1 1 585 585 ASP CB C 585 41.175 41.175 40.831 0.344 25280 915 1 4 . 1 1 585 585 ASP H H 585 8.395 8.395 8.633 -0.238 25280 916 1 4 . 1 1 586 586 ASN N N 586 119.932 119.932 121.663 -1.731 25280 917 1 4 . 1 1 586 586 ASN HA H 586 4.681 4.681 4.389 0.292 25280 918 1 4 . 1 1 586 586 ASN C C 586 175.085 175.085 176.720 -1.635 25280 919 1 4 . 1 1 586 586 ASN CA C 586 53.488 53.488 54.884 -1.396 25280 920 1 4 . 1 1 586 586 ASN CB C 586 39.212 39.212 39.248 -0.035 25280 921 1 4 . 1 1 586 586 ASN H H 586 8.362 8.362 8.774 -0.412 25280 922 1 4 . 1 1 587 587 ASP N N 587 120.991 120.991 120.147 0.844 25280 923 1 4 . 1 1 587 587 ASP HA H 587 4.584 4.584 4.360 0.224 25280 924 1 4 . 1 1 587 587 ASP C C 587 176.594 176.594 177.166 -0.572 25280 925 1 4 . 1 1 587 587 ASP CA C 587 54.770 54.770 56.375 -1.605 25280 926 1 4 . 1 1 587 587 ASP CB C 587 41.113 41.113 40.794 0.319 25280 927 1 4 . 1 1 587 587 ASP H H 587 8.417 8.417 8.492 -0.075 25280 928 1 4 . 1 1 588 588 GLN N N 588 120.536 120.536 116.991 3.545 25280 929 1 4 . 1 1 588 588 GLN HA H 588 4.276 4.276 4.131 0.145 25280 930 1 4 . 1 1 588 588 GLN C C 588 176.825 176.825 177.277 -0.452 25280 931 1 4 . 1 1 588 588 GLN CA C 588 56.197 56.197 56.033 0.164 25280 932 1 4 . 1 1 588 588 GLN CB C 588 29.189 29.189 28.521 0.668 25280 933 1 4 . 1 1 588 588 GLN H H 588 8.351 8.351 7.548 0.803 25280 934 1 4 . 1 1 589 589 GLY N N 589 109.481 109.481 107.909 1.572 25280 935 1 4 . 1 1 589 589 GLY C C 589 174.353 174.353 174.042 0.311 25280 936 1 4 . 1 1 589 589 GLY CA C 589 45.495 45.495 44.610 0.885 25280 937 1 4 . 1 1 589 589 GLY H H 589 8.440 8.440 7.725 0.715 25280 938 1 4 . 1 1 590 590 SER N N 590 115.518 115.518 115.050 0.468 25280 939 1 4 . 1 1 590 590 SER HA H 590 4.493 4.493 4.372 0.121 25280 940 1 4 . 1 1 590 590 SER C C 590 174.643 174.643 175.367 -0.724 25280 941 1 4 . 1 1 590 590 SER CA C 590 58.215 58.215 58.329 -0.114 25280 942 1 4 . 1 1 590 590 SER CB C 590 63.883 63.883 64.558 -0.675 25280 943 1 4 . 1 1 590 590 SER H H 590 8.187 8.187 7.665 0.522 25280 944 1 4 . 1 1 591 591 SER N N 591 117.781 117.781 120.684 -2.903 25280 945 1 4 . 1 1 591 591 SER HA H 591 4.518 4.518 4.448 0.070 25280 946 1 4 . 1 1 591 591 SER C C 591 174.128 174.128 174.964 -0.836 25280 947 1 4 . 1 1 591 591 SER CA C 591 58.151 58.151 58.591 -0.440 25280 948 1 4 . 1 1 591 591 SER CB C 591 63.838 63.838 62.536 1.302 25280 949 1 4 . 1 1 591 591 SER H H 591 8.362 8.362 8.493 -0.131 25280 950 1 4 . 1 1 592 592 SER N N 592 118.898 118.898 124.467 -5.569 25280 951 1 4 . 1 1 592 592 SER CA C 592 56.483 56.483 57.409 -0.926 25280 952 1 4 . 1 1 592 592 SER CB C 592 63.507 63.507 62.860 0.647 25280 953 1 4 . 1 1 592 592 SER H H 592 8.336 8.336 8.078 0.259 25280 954 1 4 . 1 1 593 593 PRO HA H 593 4.459 4.459 4.525 -0.066 25280 955 1 4 . 1 1 593 593 PRO C C 593 177.037 177.037 176.875 0.162 25280 956 1 4 . 1 1 593 593 PRO CA C 593 63.337 63.337 63.743 -0.406 25280 957 1 4 . 1 1 593 593 PRO CB C 593 32.146 32.146 31.999 0.147 25280 958 1 4 . 1 1 594 594 SER N N 594 116.126 116.126 116.067 0.059 25280 959 1 4 . 1 1 594 594 SER HA H 594 4.405 4.405 4.552 -0.147 25280 960 1 4 . 1 1 594 594 SER C C 594 174.478 174.478 175.178 -0.700 25280 961 1 4 . 1 1 594 594 SER CA C 594 58.283 58.283 58.592 -0.309 25280 962 1 4 . 1 1 594 594 SER CB C 594 63.781 63.781 63.718 0.063 25280 963 1 4 . 1 1 594 594 SER H H 594 8.436 8.436 8.453 -0.017 25280 964 1 4 . 1 1 595 595 ASN N N 595 120.920 120.920 120.987 -0.067 25280 965 1 4 . 1 1 595 595 ASN HA H 595 4.711 4.711 4.530 0.181 25280 966 1 4 . 1 1 595 595 ASN C C 595 175.089 175.089 176.757 -1.668 25280 967 1 4 . 1 1 595 595 ASN CA C 595 53.483 53.483 55.910 -2.427 25280 968 1 4 . 1 1 595 595 ASN CB C 595 39.060 39.060 38.653 0.407 25280 969 1 4 . 1 1 595 595 ASN H H 595 8.460 8.460 8.582 -0.122 25280 970 1 4 . 1 1 596 596 ASP N N 596 121.047 121.047 117.903 3.144 25280 971 1 4 . 1 1 596 596 ASP HA H 596 4.562 4.562 4.464 0.098 25280 972 1 4 . 1 1 596 596 ASP C C 596 176.666 176.666 178.277 -1.611 25280 973 1 4 . 1 1 596 596 ASP CA C 596 54.776 54.776 57.147 -2.371 25280 974 1 4 . 1 1 596 596 ASP CB C 596 41.079 41.079 40.025 1.054 25280 975 1 4 . 1 1 596 596 ASP H H 596 8.304 8.304 8.675 -0.371 25280 976 1 4 . 1 1 597 597 GLU N N 597 121.766 121.766 120.350 1.416 25280 977 1 4 . 1 1 597 597 GLU HA H 597 4.108 4.108 4.052 0.056 25280 978 1 4 . 1 1 597 597 GLU C C 597 177.474 177.474 178.044 -0.570 25280 979 1 4 . 1 1 597 597 GLU CA C 597 57.983 57.983 59.165 -1.182 25280 980 1 4 . 1 1 597 597 GLU CB C 597 29.907 29.907 29.475 0.432 25280 981 1 4 . 1 1 597 597 GLU H H 597 8.386 8.386 8.323 0.063 25280 982 1 4 . 1 1 598 598 ALA N N 598 123.873 123.873 121.720 2.153 25280 983 1 4 . 1 1 598 598 ALA C C 598 178.598 178.598 178.760 -0.162 25280 984 1 4 . 1 1 598 598 ALA CA C 598 53.540 53.540 54.599 -1.059 25280 985 1 4 . 1 1 598 598 ALA CB C 598 18.651 18.651 18.251 0.400 25280 986 1 4 . 1 1 598 598 ALA H H 598 8.238 8.238 7.742 0.496 25280 987 1 4 . 1 1 599 599 ALA N N 599 122.041 122.041 120.272 1.769 25280 988 1 4 . 1 1 599 599 ALA HA H 599 4.225 4.225 4.079 0.146 25280 989 1 4 . 1 1 599 599 ALA C C 599 178.877 178.877 179.823 -0.946 25280 990 1 4 . 1 1 599 599 ALA CA C 599 53.382 53.382 54.451 -1.069 25280 991 1 4 . 1 1 599 599 ALA CB C 599 18.779 18.779 18.673 0.106 25280 992 1 4 . 1 1 599 599 ALA H H 599 8.017 8.017 7.505 0.512 25280 993 1 4 . 1 1 600 600 MET N N 600 118.403 118.403 119.041 -0.638 25280 994 1 4 . 1 1 600 600 MET HA H 600 4.386 4.386 4.176 0.210 25280 995 1 4 . 1 1 600 600 MET C C 600 176.628 176.628 177.788 -1.160 25280 996 1 4 . 1 1 600 600 MET CA C 600 56.058 56.058 58.312 -2.254 25280 997 1 4 . 1 1 600 600 MET CB C 600 32.504 32.504 32.743 -0.239 25280 998 1 4 . 1 1 600 600 MET H H 600 8.096 8.096 7.652 0.444 25280 999 1 4 . 1 1 601 601 ALA N N 601 123.911 123.911 121.132 2.779 25280 1000 1 4 . 1 1 601 601 ALA HA H 601 4.228 4.228 4.100 0.128 25280 1001 1 4 . 1 1 601 601 ALA C C 601 178.582 178.582 178.736 -0.154 25280 1002 1 4 . 1 1 601 601 ALA CA C 601 53.415 53.415 54.309 -0.894 25280 1003 1 4 . 1 1 601 601 ALA CB C 601 18.732 18.732 17.561 1.171 25280 1004 1 4 . 1 1 601 601 ALA H H 601 8.049 8.049 7.824 0.225 25280 1005 1 4 . 1 1 602 602 VAL N N 602 119.320 119.320 118.231 1.089 25280 1006 1 4 . 1 1 602 602 VAL HA H 602 3.938 3.938 3.758 0.180 25280 1007 1 4 . 1 1 602 602 VAL C C 602 176.902 176.902 176.439 0.463 25280 1008 1 4 . 1 1 602 602 VAL CA C 602 63.561 63.561 64.880 -1.319 25280 1009 1 4 . 1 1 602 602 VAL CB C 602 32.473 32.473 31.944 0.529 25280 1010 1 4 . 1 1 602 602 VAL H H 602 7.844 7.844 7.163 0.681 25280 1011 1 4 . 1 1 603 603 ILE N N 603 123.836 123.836 117.562 6.274 25280 1012 1 4 . 1 1 603 603 ILE HA H 603 3.994 3.994 3.695 0.299 25280 1013 1 4 . 1 1 603 603 ILE C C 603 177.039 177.039 178.282 -1.243 25280 1014 1 4 . 1 1 603 603 ILE CA C 603 62.259 62.259 64.231 -1.972 25280 1015 1 4 . 1 1 603 603 ILE CB C 603 38.292 38.292 38.059 0.233 25280 1016 1 4 . 1 1 603 603 ILE H H 603 8.003 8.003 7.809 0.194 25280 1017 1 4 . 1 1 604 604 MET N N 604 122.698 122.698 118.242 4.456 25280 1018 1 4 . 1 1 604 604 MET HA H 604 4.412 4.412 4.175 0.237 25280 1019 1 4 . 1 1 604 604 MET C C 604 176.884 176.884 176.681 0.203 25280 1020 1 4 . 1 1 604 604 MET CA C 604 56.136 56.136 58.208 -2.072 25280 1021 1 4 . 1 1 604 604 MET CB C 604 32.466 32.466 33.005 -0.539 25280 1022 1 4 . 1 1 604 604 MET H H 604 8.414 8.414 7.353 1.061 25280 1023 1 4 . 1 1 605 605 SER N N 605 116.666 116.666 114.507 2.159 25280 1024 1 4 . 1 1 605 605 SER HA H 605 4.376 4.376 4.594 -0.218 25280 1025 1 4 . 1 1 605 605 SER C C 605 174.920 174.920 173.488 1.432 25280 1026 1 4 . 1 1 605 605 SER CA C 605 59.160 59.160 58.157 1.003 25280 1027 1 4 . 1 1 605 605 SER CB C 605 63.539 63.539 63.755 -0.216 25280 1028 1 4 . 1 1 605 605 SER H H 605 8.175 8.175 7.670 0.505 25280 1029 1 4 . 1 1 606 606 LEU N N 606 123.877 123.877 123.639 0.238 25280 1030 1 4 . 1 1 606 606 LEU HA H 606 4.329 4.329 4.637 -0.308 25280 1031 1 4 . 1 1 606 606 LEU C C 606 177.666 177.666 176.114 1.552 25280 1032 1 4 . 1 1 606 606 LEU CA C 606 55.735 55.735 54.483 1.252 25280 1033 1 4 . 1 1 606 606 LEU CB C 606 42.208 42.208 43.053 -0.845 25280 1034 1 4 . 1 1 606 606 LEU H H 606 8.098 8.098 8.353 -0.255 25280 1035 1 4 . 1 1 607 607 LEU N N 607 121.714 121.714 122.457 -0.743 25280 1036 1 4 . 1 1 607 607 LEU HA H 607 4.311 4.311 4.232 0.079 25280 1037 1 4 . 1 1 607 607 LEU C C 607 177.811 177.811 177.286 0.525 25280 1038 1 4 . 1 1 607 607 LEU CA C 607 55.664 55.664 55.773 -0.109 25280 1039 1 4 . 1 1 607 607 LEU CB C 607 42.312 42.312 42.335 -0.023 25280 1040 1 4 . 1 1 607 607 LEU H H 607 8.015 8.015 7.400 0.615 25280 1041 1 4 . 1 1 608 608 GLU N N 608 121.023 121.023 123.374 -2.351 25280 1042 1 4 . 1 1 608 608 GLU HA H 608 4.204 4.204 4.487 -0.283 25280 1043 1 4 . 1 1 608 608 GLU C C 608 176.604 176.604 177.157 -0.553 25280 1044 1 4 . 1 1 608 608 GLU CA C 608 56.781 56.781 55.461 1.320 25280 1045 1 4 . 1 1 608 608 GLU CB C 608 30.050 30.050 29.660 0.390 25280 1046 1 4 . 1 1 608 608 GLU H H 608 8.195 8.195 8.723 -0.528 25280 1047 1 4 . 1 1 609 609 ALA N N 609 124.285 124.285 129.216 -4.931 25280 1048 1 4 . 1 1 609 609 ALA HA H 609 4.223 4.223 4.109 0.114 25280 1049 1 4 . 1 1 609 609 ALA C C 609 177.700 177.700 178.940 -1.240 25280 1050 1 4 . 1 1 609 609 ALA CA C 609 52.977 52.977 54.236 -1.258 25280 1051 1 4 . 1 1 609 609 ALA CB C 609 19.185 19.185 18.777 0.408 25280 1052 1 4 . 1 1 609 609 ALA H H 609 8.156 8.156 8.887 -0.731 25280 1053 1 4 . 1 1 610 610 ASP N N 610 119.248 119.248 119.594 -0.346 25280 1054 1 4 . 1 1 610 610 ASP HA H 610 4.549 4.549 4.382 0.167 25280 1055 1 4 . 1 1 610 610 ASP C C 610 176.353 176.353 177.452 -1.099 25280 1056 1 4 . 1 1 610 610 ASP CA C 610 54.344 54.344 55.796 -1.452 25280 1057 1 4 . 1 1 610 610 ASP CB C 610 41.237 41.237 40.567 0.670 25280 1058 1 4 . 1 1 610 610 ASP H H 610 8.215 8.215 8.329 -0.114 25280 1059 1 4 . 1 1 611 611 ALA N N 611 124.813 124.813 120.240 4.573 25280 1060 1 4 . 1 1 611 611 ALA C C 611 178.431 178.431 178.320 0.111 25280 1061 1 4 . 1 1 611 611 ALA CA C 611 53.032 53.032 53.025 0.007 25280 1062 1 4 . 1 1 611 611 ALA CB C 611 19.186 19.186 19.015 0.171 25280 1063 1 4 . 1 1 611 611 ALA H H 611 8.211 8.211 7.657 0.554 25280 1064 1 4 . 1 1 612 612 GLY N N 612 107.402 107.402 106.853 0.549 25280 1065 1 4 . 1 1 612 612 GLY C C 612 174.554 174.554 174.339 0.215 25280 1066 1 4 . 1 1 612 612 GLY CA C 612 45.512 45.512 44.648 0.864 25280 1067 1 4 . 1 1 612 612 GLY H H 612 8.417 8.417 7.697 0.720 25280 1068 1 4 . 1 1 613 613 LEU N N 613 121.201 121.201 119.626 1.575 25280 1069 1 4 . 1 1 613 613 LEU HA H 613 4.294 4.294 4.140 0.154 25280 1070 1 4 . 1 1 613 613 LEU C C 613 178.034 178.034 178.217 -0.183 25280 1071 1 4 . 1 1 613 613 LEU CA C 613 55.410 55.410 56.032 -0.622 25280 1072 1 4 . 1 1 613 613 LEU CB C 613 42.337 42.337 41.920 0.417 25280 1073 1 4 . 1 1 613 613 LEU H H 613 8.032 8.032 7.887 0.145 25280 1074 1 4 . 1 1 614 614 GLY N N 614 109.395 109.395 109.654 -0.259 25280 1075 1 4 . 1 1 614 614 GLY C C 614 174.274 174.274 174.241 0.033 25280 1076 1 4 . 1 1 614 614 GLY CA C 614 45.088 45.088 44.785 0.304 25280 1077 1 4 . 1 1 614 614 GLY H H 614 8.438 8.438 8.896 -0.458 25280 1078 1 4 . 1 1 615 615 GLY N N 615 108.795 108.795 108.410 0.385 25280 1079 1 4 . 1 1 615 615 GLY CA C 615 44.453 44.453 44.090 0.363 25280 1080 1 4 . 1 1 615 615 GLY H H 615 8.048 8.048 7.646 0.402 25280 1081 1 4 . 1 1 616 616 PRO HA H 616 4.416 4.416 4.307 0.109 25280 1082 1 4 . 1 1 616 616 PRO C C 616 177.062 177.062 176.679 0.383 25280 1083 1 4 . 1 1 616 616 PRO CA C 616 63.037 63.037 63.440 -0.403 25280 1084 1 4 . 1 1 616 616 PRO CB C 616 32.164 32.164 31.933 0.231 25280 1085 1 4 . 1 1 617 617 VAL N N 617 119.919 119.919 117.203 2.716 25280 1086 1 4 . 1 1 617 617 VAL HA H 617 4.041 4.041 3.975 0.066 25280 1087 1 4 . 1 1 617 617 VAL C C 617 175.491 175.491 175.117 0.374 25280 1088 1 4 . 1 1 617 617 VAL CA C 617 62.085 62.085 61.647 0.438 25280 1089 1 4 . 1 1 617 617 VAL CB C 617 32.975 32.975 32.320 0.655 25280 1090 1 4 . 1 1 617 617 VAL H H 617 8.207 8.207 7.465 0.742 25280 1091 1 4 . 1 1 618 618 ASP N N 618 123.606 123.606 124.458 -0.852 25280 1092 1 4 . 1 1 618 618 ASP HA H 618 4.546 4.546 4.530 0.016 25280 1093 1 4 . 1 1 618 618 ASP C C 618 175.875 175.875 176.108 -0.233 25280 1094 1 4 . 1 1 618 618 ASP CA C 618 53.977 53.977 53.088 0.889 25280 1095 1 4 . 1 1 618 618 ASP CB C 618 41.472 41.472 41.898 -0.426 25280 1096 1 4 . 1 1 618 618 ASP H H 618 8.264 8.264 8.176 0.088 25280 1097 1 4 . 1 1 619 619 PHE N N 619 121.642 121.642 121.428 0.214 25280 1098 1 4 . 1 1 619 619 PHE HA H 619 4.578 4.578 4.692 -0.114 25280 1099 1 4 . 1 1 619 619 PHE C C 619 175.905 175.905 175.501 0.404 25280 1100 1 4 . 1 1 619 619 PHE CA C 619 57.977 57.977 57.730 0.247 25280 1101 1 4 . 1 1 619 619 PHE CB C 619 39.363 39.363 38.389 0.974 25280 1102 1 4 . 1 1 619 619 PHE H H 619 8.263 8.263 8.542 -0.279 25280 1103 1 4 . 1 1 620 620 SER N N 620 117.019 117.019 116.592 0.427 25280 1104 1 4 . 1 1 620 620 SER HA H 620 4.325 4.325 4.629 -0.304 25280 1105 1 4 . 1 1 620 620 SER C C 620 173.926 173.926 172.679 1.247 25280 1106 1 4 . 1 1 620 620 SER CA C 620 58.935 58.935 57.463 1.472 25280 1107 1 4 . 1 1 620 620 SER CB C 620 63.804 63.804 65.897 -2.093 25280 1108 1 4 . 1 1 620 620 SER H H 620 8.274 8.274 7.980 0.294 25280 1109 1 4 . 1 1 621 621 ASP N N 621 121.939 121.939 121.839 0.100 25280 1110 1 4 . 1 1 621 621 ASP HA H 621 4.596 4.596 4.617 -0.021 25280 1111 1 4 . 1 1 621 621 ASP C C 621 175.540 175.540 176.062 -0.522 25280 1112 1 4 . 1 1 621 621 ASP CA C 621 54.099 54.099 53.925 0.174 25280 1113 1 4 . 1 1 621 621 ASP CB C 621 41.098 41.098 41.112 -0.014 25280 1114 1 4 . 1 1 621 621 ASP H H 621 8.218 8.218 8.371 -0.153 25280 1115 1 4 . 1 1 622 622 LEU N N 622 122.946 122.946 122.136 0.810 25280 1116 1 4 . 1 1 622 622 LEU HA H 622 4.513 4.513 4.372 0.141 25280 1117 1 4 . 1 1 622 622 LEU CA C 622 52.999 52.999 53.603 -0.604 25280 1118 1 4 . 1 1 622 622 LEU CB C 622 41.847 41.847 41.716 0.131 25280 1119 1 4 . 1 1 622 622 LEU H H 622 7.900 7.900 8.262 -0.362 25280 1120 1 4 . 1 1 623 623 PRO HA H 623 4.335 4.335 4.395 -0.060 25280 1121 1 4 . 1 1 623 623 PRO C C 623 176.233 176.233 176.138 0.095 25280 1122 1 4 . 1 1 623 623 PRO CA C 623 62.969 62.969 63.956 -0.987 25280 1123 1 4 . 1 1 623 623 PRO CB C 623 31.645 31.645 32.210 -0.565 25280 1124 1 4 . 1 1 624 624 TRP N N 624 122.332 122.332 121.155 1.177 25280 1125 1 4 . 1 1 624 624 TRP HA H 624 4.903 4.903 4.858 0.045 25280 1126 1 4 . 1 1 624 624 TRP CA C 624 54.676 54.676 55.505 -0.829 25280 1127 1 4 . 1 1 624 624 TRP CB C 624 29.101 29.101 30.984 -1.883 25280 1128 1 4 . 1 1 624 624 TRP H H 624 7.967 7.967 7.749 0.218 25280 1129 1 4 . 1 1 625 625 PRO HA H 625 4.400 4.400 4.647 -0.247 25280 1130 1 4 . 1 1 625 625 PRO C C 625 175.842 175.842 176.452 -0.610 25280 1131 1 4 . 1 1 625 625 PRO CA C 625 63.221 63.221 63.265 -0.044 25280 1132 1 4 . 1 1 625 625 PRO CB C 625 31.812 31.812 32.884 -1.072 25280 1133 1 5 . 1 1 574 574 MET N N 574 117.950 117.950 121.137 -3.187 25280 1134 1 5 . 1 1 574 574 MET HA H 574 4.485 4.485 4.547 -0.062 25280 1135 1 5 . 1 1 574 574 MET C C 574 175.669 175.669 175.786 -0.117 25280 1136 1 5 . 1 1 574 574 MET CA C 574 54.944 54.944 55.506 -0.562 25280 1137 1 5 . 1 1 574 574 MET CB C 574 32.476 32.476 33.073 -0.597 25280 1138 1 5 . 1 1 574 574 MET H H 574 8.461 8.461 7.944 0.517 25280 1139 1 5 . 1 1 575 575 ASP N N 575 122.898 122.898 121.645 1.253 25280 1140 1 5 . 1 1 575 575 ASP CA C 575 52.807 52.807 52.730 0.077 25280 1141 1 5 . 1 1 575 575 ASP CB C 575 40.926 40.926 41.447 -0.521 25280 1142 1 5 . 1 1 575 575 ASP H H 575 8.101 8.101 8.600 -0.499 25280 1143 1 5 . 1 1 576 576 PRO HA H 576 4.344 4.344 4.572 -0.228 25280 1144 1 5 . 1 1 576 576 PRO C C 576 177.044 177.044 176.230 0.814 25280 1145 1 5 . 1 1 576 576 PRO CA C 576 63.623 63.623 62.958 0.665 25280 1146 1 5 . 1 1 576 576 PRO CB C 576 32.082 32.082 31.416 0.666 25280 1147 1 5 . 1 1 577 577 GLU N N 577 119.542 119.542 122.532 -2.990 25280 1148 1 5 . 1 1 577 577 GLU HA H 577 4.122 4.122 4.319 -0.197 25280 1149 1 5 . 1 1 577 577 GLU C C 577 176.229 176.229 176.414 -0.185 25280 1150 1 5 . 1 1 577 577 GLU CA C 577 56.941 56.941 56.510 0.432 25280 1151 1 5 . 1 1 577 577 GLU CB C 577 30.073 30.073 29.745 0.328 25280 1152 1 5 . 1 1 577 577 GLU H H 577 8.524 8.524 8.231 0.293 25280 1153 1 5 . 1 1 578 578 PHE N N 578 120.435 120.435 120.760 -0.325 25280 1154 1 5 . 1 1 578 578 PHE HA H 578 4.605 4.605 4.436 0.169 25280 1155 1 5 . 1 1 578 578 PHE C C 578 175.385 175.385 175.141 0.244 25280 1156 1 5 . 1 1 578 578 PHE CA C 578 57.624 57.624 58.368 -0.744 25280 1157 1 5 . 1 1 578 578 PHE CB C 578 39.740 39.740 39.004 0.736 25280 1158 1 5 . 1 1 578 578 PHE H H 578 8.076 8.076 7.826 0.250 25280 1159 1 5 . 1 1 579 579 ILE N N 579 123.348 123.348 128.882 -5.534 25280 1160 1 5 . 1 1 579 579 ILE HA H 579 4.089 4.089 4.243 -0.154 25280 1161 1 5 . 1 1 579 579 ILE C C 579 176.118 176.118 174.280 1.838 25280 1162 1 5 . 1 1 579 579 ILE CA C 579 61.181 61.181 60.719 0.462 25280 1163 1 5 . 1 1 579 579 ILE CB C 579 38.751 38.751 38.279 0.472 25280 1164 1 5 . 1 1 579 579 ILE H H 579 7.917 7.917 7.810 0.107 25280 1165 1 5 . 1 1 580 580 GLY N N 580 112.431 112.431 116.888 -4.457 25280 1166 1 5 . 1 1 580 580 GLY C C 580 173.918 173.918 173.572 0.346 25280 1167 1 5 . 1 1 580 580 GLY CA C 580 45.395 45.395 44.737 0.658 25280 1168 1 5 . 1 1 580 580 GLY H H 580 8.051 8.051 8.297 -0.246 25280 1169 1 5 . 1 1 581 581 ILE N N 581 119.415 119.415 123.380 -3.965 25280 1170 1 5 . 1 1 581 581 ILE HA H 581 4.176 4.176 4.210 -0.034 25280 1171 1 5 . 1 1 581 581 ILE C C 581 175.785 175.785 175.653 0.132 25280 1172 1 5 . 1 1 581 581 ILE CA C 581 61.159 61.159 60.518 0.641 25280 1173 1 5 . 1 1 581 581 ILE CB C 581 39.139 39.139 40.500 -1.361 25280 1174 1 5 . 1 1 581 581 ILE H H 581 7.925 7.925 8.045 -0.120 25280 1175 1 5 . 1 1 582 582 ASP N N 582 123.440 123.440 129.230 -5.790 25280 1176 1 5 . 1 1 582 582 ASP HA H 582 4.565 4.565 4.549 0.016 25280 1177 1 5 . 1 1 582 582 ASP C C 582 175.891 175.891 174.951 0.940 25280 1178 1 5 . 1 1 582 582 ASP CA C 582 54.394 54.394 55.188 -0.794 25280 1179 1 5 . 1 1 582 582 ASP CB C 582 41.070 41.070 40.196 0.874 25280 1180 1 5 . 1 1 582 582 ASP H H 582 8.428 8.428 8.586 -0.158 25280 1181 1 5 . 1 1 583 583 MET N N 583 120.813 120.813 120.775 0.038 25280 1182 1 5 . 1 1 583 583 MET HA H 583 4.458 4.458 4.679 -0.221 25280 1183 1 5 . 1 1 583 583 MET C C 583 175.962 175.962 175.650 0.312 25280 1184 1 5 . 1 1 583 583 MET CA C 583 55.401 55.401 53.989 1.412 25280 1185 1 5 . 1 1 583 583 MET CB C 583 32.942 32.942 36.265 -3.323 25280 1186 1 5 . 1 1 583 583 MET H H 583 8.207 8.207 8.094 0.113 25280 1187 1 5 . 1 1 584 584 ILE N N 584 122.088 122.088 123.059 -0.971 25280 1188 1 5 . 1 1 584 584 ILE HA H 584 4.113 4.113 4.220 -0.107 25280 1189 1 5 . 1 1 584 584 ILE C C 584 175.758 175.758 174.911 0.847 25280 1190 1 5 . 1 1 584 584 ILE CA C 584 61.193 61.193 61.171 0.022 25280 1191 1 5 . 1 1 584 584 ILE CB C 584 38.815 38.815 38.474 0.341 25280 1192 1 5 . 1 1 584 584 ILE H H 584 8.090 8.090 8.417 -0.327 25280 1193 1 5 . 1 1 585 585 ASP N N 585 124.211 124.211 128.505 -4.294 25280 1194 1 5 . 1 1 585 585 ASP HA H 585 4.603 4.603 4.858 -0.255 25280 1195 1 5 . 1 1 585 585 ASP C C 585 175.880 175.880 176.015 -0.135 25280 1196 1 5 . 1 1 585 585 ASP CA C 585 54.213 54.213 53.503 0.710 25280 1197 1 5 . 1 1 585 585 ASP CB C 585 41.175 41.175 42.953 -1.778 25280 1198 1 5 . 1 1 585 585 ASP H H 585 8.395 8.395 8.595 -0.200 25280 1199 1 5 . 1 1 586 586 ASN N N 586 119.932 119.932 121.272 -1.340 25280 1200 1 5 . 1 1 586 586 ASN HA H 586 4.681 4.681 4.440 0.241 25280 1201 1 5 . 1 1 586 586 ASN C C 586 175.085 175.085 176.012 -0.927 25280 1202 1 5 . 1 1 586 586 ASN CA C 586 53.488 53.488 55.006 -1.518 25280 1203 1 5 . 1 1 586 586 ASN CB C 586 39.212 39.212 38.548 0.664 25280 1204 1 5 . 1 1 586 586 ASN H H 586 8.362 8.362 8.757 -0.395 25280 1205 1 5 . 1 1 587 587 ASP N N 587 120.991 120.991 118.468 2.523 25280 1206 1 5 . 1 1 587 587 ASP HA H 587 4.584 4.584 4.455 0.129 25280 1207 1 5 . 1 1 587 587 ASP C C 587 176.594 176.594 177.918 -1.324 25280 1208 1 5 . 1 1 587 587 ASP CA C 587 54.770 54.770 56.227 -1.457 25280 1209 1 5 . 1 1 587 587 ASP CB C 587 41.113 41.113 40.244 0.869 25280 1210 1 5 . 1 1 587 587 ASP H H 587 8.417 8.417 8.610 -0.193 25280 1211 1 5 . 1 1 588 588 GLN N N 588 120.536 120.536 117.727 2.809 25280 1212 1 5 . 1 1 588 588 GLN HA H 588 4.276 4.276 4.159 0.117 25280 1213 1 5 . 1 1 588 588 GLN C C 588 176.825 176.825 177.407 -0.582 25280 1214 1 5 . 1 1 588 588 GLN CA C 588 56.197 56.197 56.694 -0.497 25280 1215 1 5 . 1 1 588 588 GLN CB C 588 29.189 29.189 29.528 -0.339 25280 1216 1 5 . 1 1 588 588 GLN H H 588 8.351 8.351 7.668 0.683 25280 1217 1 5 . 1 1 589 589 GLY N N 589 109.481 109.481 108.275 1.206 25280 1218 1 5 . 1 1 589 589 GLY C C 589 174.353 174.353 174.350 0.003 25280 1219 1 5 . 1 1 589 589 GLY CA C 589 45.495 45.495 45.109 0.386 25280 1220 1 5 . 1 1 589 589 GLY H H 589 8.440 8.440 7.814 0.626 25280 1221 1 5 . 1 1 590 590 SER N N 590 115.518 115.518 115.200 0.318 25280 1222 1 5 . 1 1 590 590 SER HA H 590 4.493 4.493 4.342 0.151 25280 1223 1 5 . 1 1 590 590 SER C C 590 174.643 174.643 175.394 -0.751 25280 1224 1 5 . 1 1 590 590 SER CA C 590 58.215 58.215 57.851 0.364 25280 1225 1 5 . 1 1 590 590 SER CB C 590 63.883 63.883 64.067 -0.184 25280 1226 1 5 . 1 1 590 590 SER H H 590 8.187 8.187 8.169 0.018 25280 1227 1 5 . 1 1 591 591 SER N N 591 117.781 117.781 120.720 -2.939 25280 1228 1 5 . 1 1 591 591 SER HA H 591 4.518 4.518 4.346 0.172 25280 1229 1 5 . 1 1 591 591 SER C C 591 174.128 174.128 174.365 -0.237 25280 1230 1 5 . 1 1 591 591 SER CA C 591 58.151 58.151 58.945 -0.794 25280 1231 1 5 . 1 1 591 591 SER CB C 591 63.838 63.838 62.945 0.893 25280 1232 1 5 . 1 1 591 591 SER H H 591 8.362 8.362 8.547 -0.185 25280 1233 1 5 . 1 1 592 592 SER N N 592 118.898 118.898 122.352 -3.454 25280 1234 1 5 . 1 1 592 592 SER CA C 592 56.483 56.483 56.031 0.452 25280 1235 1 5 . 1 1 592 592 SER CB C 592 63.507 63.507 63.260 0.247 25280 1236 1 5 . 1 1 592 592 SER H H 592 8.336 8.336 8.104 0.232 25280 1237 1 5 . 1 1 593 593 PRO HA H 593 4.459 4.459 4.554 -0.095 25280 1238 1 5 . 1 1 593 593 PRO C C 593 177.037 177.037 176.819 0.218 25280 1239 1 5 . 1 1 593 593 PRO CA C 593 63.337 63.337 62.867 0.470 25280 1240 1 5 . 1 1 593 593 PRO CB C 593 32.146 32.146 32.095 0.051 25280 1241 1 5 . 1 1 594 594 SER N N 594 116.126 116.126 119.891 -3.765 25280 1242 1 5 . 1 1 594 594 SER HA H 594 4.405 4.405 4.101 0.304 25280 1243 1 5 . 1 1 594 594 SER C C 594 174.478 174.478 175.796 -1.318 25280 1244 1 5 . 1 1 594 594 SER CA C 594 58.283 58.283 61.032 -2.749 25280 1245 1 5 . 1 1 594 594 SER CB C 594 63.781 63.781 63.094 0.687 25280 1246 1 5 . 1 1 594 594 SER H H 594 8.436 8.436 8.842 -0.406 25280 1247 1 5 . 1 1 595 595 ASN N N 595 120.920 120.920 117.621 3.299 25280 1248 1 5 . 1 1 595 595 ASN HA H 595 4.711 4.711 4.481 0.230 25280 1249 1 5 . 1 1 595 595 ASN C C 595 175.089 175.089 177.429 -2.340 25280 1250 1 5 . 1 1 595 595 ASN CA C 595 53.483 53.483 55.872 -2.389 25280 1251 1 5 . 1 1 595 595 ASN CB C 595 39.060 39.060 37.414 1.646 25280 1252 1 5 . 1 1 595 595 ASN H H 595 8.460 8.460 8.542 -0.082 25280 1253 1 5 . 1 1 596 596 ASP N N 596 121.047 121.047 120.537 0.510 25280 1254 1 5 . 1 1 596 596 ASP HA H 596 4.562 4.562 4.413 0.149 25280 1255 1 5 . 1 1 596 596 ASP C C 596 176.666 176.666 178.432 -1.766 25280 1256 1 5 . 1 1 596 596 ASP CA C 596 54.776 54.776 56.967 -2.191 25280 1257 1 5 . 1 1 596 596 ASP CB C 596 41.079 41.079 40.357 0.722 25280 1258 1 5 . 1 1 596 596 ASP H H 596 8.304 8.304 7.815 0.489 25280 1259 1 5 . 1 1 597 597 GLU N N 597 121.766 121.766 120.094 1.672 25280 1260 1 5 . 1 1 597 597 GLU HA H 597 4.108 4.108 4.062 0.046 25280 1261 1 5 . 1 1 597 597 GLU C C 597 177.474 177.474 178.799 -1.325 25280 1262 1 5 . 1 1 597 597 GLU CA C 597 57.983 57.983 58.854 -0.871 25280 1263 1 5 . 1 1 597 597 GLU CB C 597 29.907 29.907 29.498 0.409 25280 1264 1 5 . 1 1 597 597 GLU H H 597 8.386 8.386 7.521 0.865 25280 1265 1 5 . 1 1 598 598 ALA N N 598 123.873 123.873 121.676 2.197 25280 1266 1 5 . 1 1 598 598 ALA C C 598 178.598 178.598 179.167 -0.569 25280 1267 1 5 . 1 1 598 598 ALA CA C 598 53.540 53.540 55.233 -1.693 25280 1268 1 5 . 1 1 598 598 ALA CB C 598 18.651 18.651 18.353 0.298 25280 1269 1 5 . 1 1 598 598 ALA H H 598 8.238 8.238 7.952 0.286 25280 1270 1 5 . 1 1 599 599 ALA N N 599 122.041 122.041 120.344 1.697 25280 1271 1 5 . 1 1 599 599 ALA HA H 599 4.225 4.225 4.100 0.125 25280 1272 1 5 . 1 1 599 599 ALA C C 599 178.877 178.877 180.207 -1.330 25280 1273 1 5 . 1 1 599 599 ALA CA C 599 53.382 53.382 54.744 -1.362 25280 1274 1 5 . 1 1 599 599 ALA CB C 599 18.779 18.779 18.341 0.438 25280 1275 1 5 . 1 1 599 599 ALA H H 599 8.017 8.017 7.385 0.632 25280 1276 1 5 . 1 1 600 600 MET N N 600 118.403 118.403 118.037 0.366 25280 1277 1 5 . 1 1 600 600 MET HA H 600 4.386 4.386 4.223 0.163 25280 1278 1 5 . 1 1 600 600 MET C C 600 176.628 176.628 178.716 -2.088 25280 1279 1 5 . 1 1 600 600 MET CA C 600 56.058 56.058 56.748 -0.690 25280 1280 1 5 . 1 1 600 600 MET CB C 600 32.504 32.504 31.411 1.093 25280 1281 1 5 . 1 1 600 600 MET H H 600 8.096 8.096 7.601 0.495 25280 1282 1 5 . 1 1 601 601 ALA N N 601 123.911 123.911 121.885 2.026 25280 1283 1 5 . 1 1 601 601 ALA HA H 601 4.228 4.228 4.116 0.112 25280 1284 1 5 . 1 1 601 601 ALA C C 601 178.582 178.582 179.698 -1.116 25280 1285 1 5 . 1 1 601 601 ALA CA C 601 53.415 53.415 54.935 -1.520 25280 1286 1 5 . 1 1 601 601 ALA CB C 601 18.732 18.732 17.858 0.874 25280 1287 1 5 . 1 1 601 601 ALA H H 601 8.049 8.049 8.392 -0.343 25280 1288 1 5 . 1 1 602 602 VAL N N 602 119.320 119.320 118.953 0.367 25280 1289 1 5 . 1 1 602 602 VAL HA H 602 3.938 3.938 3.747 0.191 25280 1290 1 5 . 1 1 602 602 VAL C C 602 176.902 176.902 177.695 -0.793 25280 1291 1 5 . 1 1 602 602 VAL CA C 602 63.561 63.561 66.144 -2.583 25280 1292 1 5 . 1 1 602 602 VAL CB C 602 32.473 32.473 31.663 0.809 25280 1293 1 5 . 1 1 602 602 VAL H H 602 7.844 7.844 7.369 0.475 25280 1294 1 5 . 1 1 603 603 ILE N N 603 123.836 123.836 118.863 4.973 25280 1295 1 5 . 1 1 603 603 ILE HA H 603 3.994 3.994 3.721 0.273 25280 1296 1 5 . 1 1 603 603 ILE C C 603 177.039 177.039 176.950 0.089 25280 1297 1 5 . 1 1 603 603 ILE CA C 603 62.259 62.259 63.492 -1.233 25280 1298 1 5 . 1 1 603 603 ILE CB C 603 38.292 38.292 37.622 0.670 25280 1299 1 5 . 1 1 603 603 ILE H H 603 8.003 8.003 7.934 0.069 25280 1300 1 5 . 1 1 604 604 MET N N 604 122.698 122.698 118.708 3.990 25280 1301 1 5 . 1 1 604 604 MET HA H 604 4.412 4.412 4.210 0.202 25280 1302 1 5 . 1 1 604 604 MET C C 604 176.884 176.884 176.316 0.568 25280 1303 1 5 . 1 1 604 604 MET CA C 604 56.136 56.136 58.027 -1.891 25280 1304 1 5 . 1 1 604 604 MET CB C 604 32.466 32.466 33.251 -0.784 25280 1305 1 5 . 1 1 604 604 MET H H 604 8.414 8.414 7.671 0.743 25280 1306 1 5 . 1 1 605 605 SER N N 605 116.666 116.666 112.801 3.865 25280 1307 1 5 . 1 1 605 605 SER HA H 605 4.376 4.376 4.661 -0.285 25280 1308 1 5 . 1 1 605 605 SER C C 605 174.920 174.920 173.605 1.315 25280 1309 1 5 . 1 1 605 605 SER CA C 605 59.160 59.160 58.085 1.075 25280 1310 1 5 . 1 1 605 605 SER CB C 605 63.539 63.539 64.369 -0.830 25280 1311 1 5 . 1 1 605 605 SER H H 605 8.175 8.175 7.593 0.582 25280 1312 1 5 . 1 1 606 606 LEU N N 606 123.877 123.877 123.792 0.085 25280 1313 1 5 . 1 1 606 606 LEU HA H 606 4.329 4.329 4.514 -0.185 25280 1314 1 5 . 1 1 606 606 LEU C C 606 177.666 177.666 177.097 0.569 25280 1315 1 5 . 1 1 606 606 LEU CA C 606 55.735 55.735 54.616 1.119 25280 1316 1 5 . 1 1 606 606 LEU CB C 606 42.208 42.208 42.592 -0.384 25280 1317 1 5 . 1 1 606 606 LEU H H 606 8.098 8.098 8.450 -0.352 25280 1318 1 5 . 1 1 607 607 LEU N N 607 121.714 121.714 122.269 -0.555 25280 1319 1 5 . 1 1 607 607 LEU HA H 607 4.311 4.311 4.365 -0.054 25280 1320 1 5 . 1 1 607 607 LEU C C 607 177.811 177.811 176.691 1.120 25280 1321 1 5 . 1 1 607 607 LEU CA C 607 55.664 55.664 55.721 -0.057 25280 1322 1 5 . 1 1 607 607 LEU CB C 607 42.312 42.312 42.339 -0.027 25280 1323 1 5 . 1 1 607 607 LEU H H 607 8.015 8.015 7.488 0.527 25280 1324 1 5 . 1 1 608 608 GLU N N 608 121.023 121.023 126.634 -5.611 25280 1325 1 5 . 1 1 608 608 GLU HA H 608 4.204 4.204 4.441 -0.237 25280 1326 1 5 . 1 1 608 608 GLU C C 608 176.604 176.604 176.174 0.430 25280 1327 1 5 . 1 1 608 608 GLU CA C 608 56.781 56.781 56.071 0.710 25280 1328 1 5 . 1 1 608 608 GLU CB C 608 30.050 30.050 32.036 -1.986 25280 1329 1 5 . 1 1 608 608 GLU H H 608 8.195 8.195 8.169 0.026 25280 1330 1 5 . 1 1 609 609 ALA N N 609 124.285 124.285 126.652 -2.367 25280 1331 1 5 . 1 1 609 609 ALA HA H 609 4.223 4.223 4.191 0.032 25280 1332 1 5 . 1 1 609 609 ALA C C 609 177.700 177.700 178.106 -0.406 25280 1333 1 5 . 1 1 609 609 ALA CA C 609 52.977 52.977 53.738 -0.761 25280 1334 1 5 . 1 1 609 609 ALA CB C 609 19.185 19.185 18.672 0.513 25280 1335 1 5 . 1 1 609 609 ALA H H 609 8.156 8.156 8.720 -0.564 25280 1336 1 5 . 1 1 610 610 ASP N N 610 119.248 119.248 119.104 0.144 25280 1337 1 5 . 1 1 610 610 ASP HA H 610 4.549 4.549 4.454 0.095 25280 1338 1 5 . 1 1 610 610 ASP C C 610 176.353 176.353 177.251 -0.898 25280 1339 1 5 . 1 1 610 610 ASP CA C 610 54.344 54.344 55.746 -1.403 25280 1340 1 5 . 1 1 610 610 ASP CB C 610 41.237 41.237 40.004 1.233 25280 1341 1 5 . 1 1 610 610 ASP H H 610 8.215 8.215 8.463 -0.248 25280 1342 1 5 . 1 1 611 611 ALA N N 611 124.813 124.813 120.086 4.727 25280 1343 1 5 . 1 1 611 611 ALA C C 611 178.431 178.431 178.683 -0.252 25280 1344 1 5 . 1 1 611 611 ALA CA C 611 53.032 53.032 53.285 -0.253 25280 1345 1 5 . 1 1 611 611 ALA CB C 611 19.186 19.186 19.266 -0.080 25280 1346 1 5 . 1 1 611 611 ALA H H 611 8.211 8.211 7.553 0.658 25280 1347 1 5 . 1 1 612 612 GLY N N 612 107.402 107.402 105.035 2.367 25280 1348 1 5 . 1 1 612 612 GLY C C 612 174.554 174.554 174.258 0.296 25280 1349 1 5 . 1 1 612 612 GLY CA C 612 45.512 45.512 45.001 0.511 25280 1350 1 5 . 1 1 612 612 GLY H H 612 8.417 8.417 7.833 0.584 25280 1351 1 5 . 1 1 613 613 LEU N N 613 121.201 121.201 121.697 -0.496 25280 1352 1 5 . 1 1 613 613 LEU HA H 613 4.294 4.294 4.332 -0.038 25280 1353 1 5 . 1 1 613 613 LEU C C 613 178.034 178.034 177.996 0.038 25280 1354 1 5 . 1 1 613 613 LEU CA C 613 55.410 55.410 54.846 0.564 25280 1355 1 5 . 1 1 613 613 LEU CB C 613 42.337 42.337 41.751 0.586 25280 1356 1 5 . 1 1 613 613 LEU H H 613 8.032 8.032 7.877 0.155 25280 1357 1 5 . 1 1 614 614 GLY N N 614 109.395 109.395 110.424 -1.029 25280 1358 1 5 . 1 1 614 614 GLY C C 614 174.274 174.274 174.838 -0.564 25280 1359 1 5 . 1 1 614 614 GLY CA C 614 45.088 45.088 44.997 0.091 25280 1360 1 5 . 1 1 614 614 GLY H H 614 8.438 8.438 8.827 -0.389 25280 1361 1 5 . 1 1 615 615 GLY N N 615 108.795 108.795 109.591 -0.796 25280 1362 1 5 . 1 1 615 615 GLY CA C 615 44.453 44.453 44.231 0.222 25280 1363 1 5 . 1 1 615 615 GLY H H 615 8.048 8.048 7.580 0.468 25280 1364 1 5 . 1 1 616 616 PRO HA H 616 4.416 4.416 4.312 0.104 25280 1365 1 5 . 1 1 616 616 PRO C C 616 177.062 177.062 175.588 1.474 25280 1366 1 5 . 1 1 616 616 PRO CA C 616 63.037 63.037 63.004 0.033 25280 1367 1 5 . 1 1 616 616 PRO CB C 616 32.164 32.164 32.241 -0.077 25280 1368 1 5 . 1 1 617 617 VAL N N 617 119.919 119.919 121.986 -2.067 25280 1369 1 5 . 1 1 617 617 VAL HA H 617 4.041 4.041 4.229 -0.188 25280 1370 1 5 . 1 1 617 617 VAL C C 617 175.491 175.491 175.257 0.234 25280 1371 1 5 . 1 1 617 617 VAL CA C 617 62.085 62.085 61.309 0.776 25280 1372 1 5 . 1 1 617 617 VAL CB C 617 32.975 32.975 34.424 -1.449 25280 1373 1 5 . 1 1 617 617 VAL H H 617 8.207 8.207 7.961 0.246 25280 1374 1 5 . 1 1 618 618 ASP N N 618 123.606 123.606 126.867 -3.261 25280 1375 1 5 . 1 1 618 618 ASP HA H 618 4.546 4.546 4.394 0.152 25280 1376 1 5 . 1 1 618 618 ASP C C 618 175.875 175.875 175.851 0.024 25280 1377 1 5 . 1 1 618 618 ASP CA C 618 53.977 53.977 54.193 -0.216 25280 1378 1 5 . 1 1 618 618 ASP CB C 618 41.472 41.472 41.473 -0.001 25280 1379 1 5 . 1 1 618 618 ASP H H 618 8.264 8.264 8.300 -0.036 25280 1380 1 5 . 1 1 619 619 PHE N N 619 121.642 121.642 120.415 1.227 25280 1381 1 5 . 1 1 619 619 PHE HA H 619 4.578 4.578 4.444 0.134 25280 1382 1 5 . 1 1 619 619 PHE C C 619 175.905 175.905 176.152 -0.247 25280 1383 1 5 . 1 1 619 619 PHE CA C 619 57.977 57.977 57.754 0.223 25280 1384 1 5 . 1 1 619 619 PHE CB C 619 39.363 39.363 39.850 -0.487 25280 1385 1 5 . 1 1 619 619 PHE H H 619 8.263 8.263 7.990 0.273 25280 1386 1 5 . 1 1 620 620 SER N N 620 117.019 117.019 118.092 -1.073 25280 1387 1 5 . 1 1 620 620 SER HA H 620 4.325 4.325 4.392 -0.067 25280 1388 1 5 . 1 1 620 620 SER C C 620 173.926 173.926 174.480 -0.554 25280 1389 1 5 . 1 1 620 620 SER CA C 620 58.935 58.935 58.649 0.286 25280 1390 1 5 . 1 1 620 620 SER CB C 620 63.804 63.804 63.754 0.050 25280 1391 1 5 . 1 1 620 620 SER H H 620 8.274 8.274 8.370 -0.096 25280 1392 1 5 . 1 1 621 621 ASP N N 621 121.939 121.939 126.026 -4.087 25280 1393 1 5 . 1 1 621 621 ASP HA H 621 4.596 4.596 4.590 0.006 25280 1394 1 5 . 1 1 621 621 ASP C C 621 175.540 175.540 176.133 -0.593 25280 1395 1 5 . 1 1 621 621 ASP CA C 621 54.099 54.099 54.900 -0.801 25280 1396 1 5 . 1 1 621 621 ASP CB C 621 41.098 41.098 40.850 0.248 25280 1397 1 5 . 1 1 621 621 ASP H H 621 8.218 8.218 8.830 -0.612 25280 1398 1 5 . 1 1 622 622 LEU N N 622 122.946 122.946 120.791 2.155 25280 1399 1 5 . 1 1 622 622 LEU HA H 622 4.513 4.513 4.284 0.229 25280 1400 1 5 . 1 1 622 622 LEU CA C 622 52.999 52.999 54.723 -1.724 25280 1401 1 5 . 1 1 622 622 LEU CB C 622 41.847 41.847 40.626 1.221 25280 1402 1 5 . 1 1 622 622 LEU H H 622 7.900 7.900 7.847 0.053 25280 1403 1 5 . 1 1 623 623 PRO HA H 623 4.335 4.335 4.524 -0.189 25280 1404 1 5 . 1 1 623 623 PRO C C 623 176.233 176.233 175.783 0.450 25280 1405 1 5 . 1 1 623 623 PRO CA C 623 62.969 62.969 63.340 -0.371 25280 1406 1 5 . 1 1 623 623 PRO CB C 623 31.645 31.645 32.295 -0.650 25280 1407 1 5 . 1 1 624 624 TRP N N 624 122.332 122.332 125.186 -2.854 25280 1408 1 5 . 1 1 624 624 TRP HA H 624 4.903 4.903 4.736 0.167 25280 1409 1 5 . 1 1 624 624 TRP CA C 624 54.676 54.676 56.328 -1.651 25280 1410 1 5 . 1 1 624 624 TRP CB C 624 29.101 29.101 30.092 -0.991 25280 1411 1 5 . 1 1 624 624 TRP H H 624 7.967 7.967 8.632 -0.665 25280 1412 1 5 . 1 1 625 625 PRO HA H 625 4.400 4.400 5.080 -0.680 25280 1413 1 5 . 1 1 625 625 PRO C C 625 175.842 175.842 176.234 -0.392 25280 1414 1 5 . 1 1 625 625 PRO CA C 625 63.221 63.221 62.890 0.331 25280 1415 1 5 . 1 1 625 625 PRO CB C 625 31.812 31.812 34.072 -2.260 25280 1416 1 6 . 1 1 574 574 MET N N 574 117.950 117.950 123.665 -5.715 25280 1417 1 6 . 1 1 574 574 MET HA H 574 4.485 4.485 4.539 -0.054 25280 1418 1 6 . 1 1 574 574 MET C C 574 175.669 175.669 175.297 0.372 25280 1419 1 6 . 1 1 574 574 MET CA C 574 54.944 54.944 55.103 -0.159 25280 1420 1 6 . 1 1 574 574 MET CB C 574 32.476 32.476 33.241 -0.765 25280 1421 1 6 . 1 1 574 574 MET H H 574 8.461 8.461 7.915 0.546 25280 1422 1 6 . 1 1 575 575 ASP N N 575 122.898 122.898 127.261 -4.363 25280 1423 1 6 . 1 1 575 575 ASP CA C 575 52.807 52.807 52.460 0.347 25280 1424 1 6 . 1 1 575 575 ASP CB C 575 40.926 40.926 40.802 0.124 25280 1425 1 6 . 1 1 575 575 ASP H H 575 8.101 8.101 8.471 -0.370 25280 1426 1 6 . 1 1 576 576 PRO HA H 576 4.344 4.344 4.340 0.004 25280 1427 1 6 . 1 1 576 576 PRO C C 576 177.044 177.044 176.391 0.653 25280 1428 1 6 . 1 1 576 576 PRO CA C 576 63.623 63.623 63.609 0.014 25280 1429 1 6 . 1 1 576 576 PRO CB C 576 32.082 32.082 32.086 -0.003 25280 1430 1 6 . 1 1 577 577 GLU N N 577 119.542 119.542 119.256 0.286 25280 1431 1 6 . 1 1 577 577 GLU HA H 577 4.122 4.122 3.981 0.141 25280 1432 1 6 . 1 1 577 577 GLU C C 577 176.229 176.229 175.998 0.231 25280 1433 1 6 . 1 1 577 577 GLU CA C 577 56.941 56.941 57.274 -0.333 25280 1434 1 6 . 1 1 577 577 GLU CB C 577 30.073 30.073 29.914 0.159 25280 1435 1 6 . 1 1 577 577 GLU H H 577 8.524 8.524 8.666 -0.142 25280 1436 1 6 . 1 1 578 578 PHE N N 578 120.435 120.435 117.483 2.952 25280 1437 1 6 . 1 1 578 578 PHE HA H 578 4.605 4.605 4.694 -0.089 25280 1438 1 6 . 1 1 578 578 PHE C C 578 175.385 175.385 175.188 0.197 25280 1439 1 6 . 1 1 578 578 PHE CA C 578 57.624 57.624 56.472 1.151 25280 1440 1 6 . 1 1 578 578 PHE CB C 578 39.740 39.740 41.436 -1.696 25280 1441 1 6 . 1 1 578 578 PHE H H 578 8.076 8.076 7.601 0.475 25280 1442 1 6 . 1 1 579 579 ILE N N 579 123.348 123.348 121.356 1.992 25280 1443 1 6 . 1 1 579 579 ILE HA H 579 4.089 4.089 4.293 -0.204 25280 1444 1 6 . 1 1 579 579 ILE C C 579 176.118 176.118 175.979 0.139 25280 1445 1 6 . 1 1 579 579 ILE CA C 579 61.181 61.181 61.346 -0.165 25280 1446 1 6 . 1 1 579 579 ILE CB C 579 38.751 38.751 36.512 2.239 25280 1447 1 6 . 1 1 579 579 ILE H H 579 7.917 7.917 8.608 -0.691 25280 1448 1 6 . 1 1 580 580 GLY N N 580 112.431 112.431 114.510 -2.079 25280 1449 1 6 . 1 1 580 580 GLY C C 580 173.918 173.918 175.456 -1.538 25280 1450 1 6 . 1 1 580 580 GLY CA C 580 45.395 45.395 43.963 1.432 25280 1451 1 6 . 1 1 580 580 GLY H H 580 8.051 8.051 8.114 -0.063 25280 1452 1 6 . 1 1 581 581 ILE N N 581 119.415 119.415 120.977 -1.562 25280 1453 1 6 . 1 1 581 581 ILE HA H 581 4.176 4.176 4.212 -0.036 25280 1454 1 6 . 1 1 581 581 ILE C C 581 175.785 175.785 175.055 0.730 25280 1455 1 6 . 1 1 581 581 ILE CA C 581 61.159 61.159 60.496 0.663 25280 1456 1 6 . 1 1 581 581 ILE CB C 581 39.139 39.139 36.528 2.611 25280 1457 1 6 . 1 1 581 581 ILE H H 581 7.925 7.925 8.419 -0.494 25280 1458 1 6 . 1 1 582 582 ASP N N 582 123.440 123.440 125.295 -1.855 25280 1459 1 6 . 1 1 582 582 ASP HA H 582 4.565 4.565 4.621 -0.056 25280 1460 1 6 . 1 1 582 582 ASP C C 582 175.891 175.891 175.401 0.490 25280 1461 1 6 . 1 1 582 582 ASP CA C 582 54.394 54.394 52.986 1.408 25280 1462 1 6 . 1 1 582 582 ASP CB C 582 41.070 41.070 39.516 1.554 25280 1463 1 6 . 1 1 582 582 ASP H H 582 8.428 8.428 8.187 0.241 25280 1464 1 6 . 1 1 583 583 MET N N 583 120.813 120.813 122.233 -1.420 25280 1465 1 6 . 1 1 583 583 MET HA H 583 4.458 4.458 4.605 -0.147 25280 1466 1 6 . 1 1 583 583 MET C C 583 175.962 175.962 175.668 0.294 25280 1467 1 6 . 1 1 583 583 MET CA C 583 55.401 55.401 55.167 0.234 25280 1468 1 6 . 1 1 583 583 MET CB C 583 32.942 32.942 33.566 -0.624 25280 1469 1 6 . 1 1 583 583 MET H H 583 8.207 8.207 7.742 0.465 25280 1470 1 6 . 1 1 584 584 ILE N N 584 122.088 122.088 127.268 -5.180 25280 1471 1 6 . 1 1 584 584 ILE HA H 584 4.113 4.113 4.278 -0.165 25280 1472 1 6 . 1 1 584 584 ILE C C 584 175.758 175.758 175.445 0.313 25280 1473 1 6 . 1 1 584 584 ILE CA C 584 61.193 61.193 61.251 -0.058 25280 1474 1 6 . 1 1 584 584 ILE CB C 584 38.815 38.815 38.778 0.037 25280 1475 1 6 . 1 1 584 584 ILE H H 584 8.090 8.090 8.416 -0.326 25280 1476 1 6 . 1 1 585 585 ASP N N 585 124.211 124.211 127.205 -2.994 25280 1477 1 6 . 1 1 585 585 ASP HA H 585 4.603 4.603 4.857 -0.254 25280 1478 1 6 . 1 1 585 585 ASP C C 585 175.880 175.880 175.698 0.182 25280 1479 1 6 . 1 1 585 585 ASP CA C 585 54.213 54.213 54.055 0.158 25280 1480 1 6 . 1 1 585 585 ASP CB C 585 41.175 41.175 41.652 -0.477 25280 1481 1 6 . 1 1 585 585 ASP H H 585 8.395 8.395 8.795 -0.400 25280 1482 1 6 . 1 1 586 586 ASN N N 586 119.932 119.932 119.185 0.747 25280 1483 1 6 . 1 1 586 586 ASN HA H 586 4.681 4.681 4.774 -0.093 25280 1484 1 6 . 1 1 586 586 ASN C C 586 175.085 175.085 176.356 -1.271 25280 1485 1 6 . 1 1 586 586 ASN CA C 586 53.488 53.488 53.553 -0.065 25280 1486 1 6 . 1 1 586 586 ASN CB C 586 39.212 39.212 39.058 0.154 25280 1487 1 6 . 1 1 586 586 ASN H H 586 8.362 8.362 8.601 -0.239 25280 1488 1 6 . 1 1 587 587 ASP N N 587 120.991 120.991 121.340 -0.349 25280 1489 1 6 . 1 1 587 587 ASP HA H 587 4.584 4.584 4.460 0.124 25280 1490 1 6 . 1 1 587 587 ASP C C 587 176.594 176.594 177.472 -0.878 25280 1491 1 6 . 1 1 587 587 ASP CA C 587 54.770 54.770 56.369 -1.599 25280 1492 1 6 . 1 1 587 587 ASP CB C 587 41.113 41.113 40.292 0.821 25280 1493 1 6 . 1 1 587 587 ASP H H 587 8.417 8.417 8.557 -0.140 25280 1494 1 6 . 1 1 588 588 GLN N N 588 120.536 120.536 116.957 3.579 25280 1495 1 6 . 1 1 588 588 GLN HA H 588 4.276 4.276 4.200 0.076 25280 1496 1 6 . 1 1 588 588 GLN C C 588 176.825 176.825 177.152 -0.327 25280 1497 1 6 . 1 1 588 588 GLN CA C 588 56.197 56.197 55.814 0.383 25280 1498 1 6 . 1 1 588 588 GLN CB C 588 29.189 29.189 28.656 0.533 25280 1499 1 6 . 1 1 588 588 GLN H H 588 8.351 8.351 7.970 0.381 25280 1500 1 6 . 1 1 589 589 GLY N N 589 109.481 109.481 108.126 1.355 25280 1501 1 6 . 1 1 589 589 GLY C C 589 174.353 174.353 174.396 -0.043 25280 1502 1 6 . 1 1 589 589 GLY CA C 589 45.495 45.495 45.057 0.438 25280 1503 1 6 . 1 1 589 589 GLY H H 589 8.440 8.440 7.773 0.667 25280 1504 1 6 . 1 1 590 590 SER N N 590 115.518 115.518 115.550 -0.032 25280 1505 1 6 . 1 1 590 590 SER HA H 590 4.493 4.493 4.418 0.075 25280 1506 1 6 . 1 1 590 590 SER C C 590 174.643 174.643 174.658 -0.015 25280 1507 1 6 . 1 1 590 590 SER CA C 590 58.215 58.215 58.708 -0.493 25280 1508 1 6 . 1 1 590 590 SER CB C 590 63.883 63.883 63.891 -0.008 25280 1509 1 6 . 1 1 590 590 SER H H 590 8.187 8.187 8.197 -0.010 25280 1510 1 6 . 1 1 591 591 SER N N 591 117.781 117.781 118.472 -0.691 25280 1511 1 6 . 1 1 591 591 SER HA H 591 4.518 4.518 4.485 0.033 25280 1512 1 6 . 1 1 591 591 SER C C 591 174.128 174.128 174.968 -0.840 25280 1513 1 6 . 1 1 591 591 SER CA C 591 58.151 58.151 58.562 -0.410 25280 1514 1 6 . 1 1 591 591 SER CB C 591 63.838 63.838 63.831 0.007 25280 1515 1 6 . 1 1 591 591 SER H H 591 8.362 8.362 8.307 0.055 25280 1516 1 6 . 1 1 592 592 SER N N 592 118.898 118.898 121.178 -2.280 25280 1517 1 6 . 1 1 592 592 SER CA C 592 56.483 56.483 57.697 -1.214 25280 1518 1 6 . 1 1 592 592 SER CB C 592 63.507 63.507 63.150 0.357 25280 1519 1 6 . 1 1 592 592 SER H H 592 8.336 8.336 8.335 0.001 25280 1520 1 6 . 1 1 593 593 PRO HA H 593 4.459 4.459 4.516 -0.057 25280 1521 1 6 . 1 1 593 593 PRO C C 593 177.037 177.037 178.233 -1.196 25280 1522 1 6 . 1 1 593 593 PRO CA C 593 63.337 63.337 63.041 0.296 25280 1523 1 6 . 1 1 593 593 PRO CB C 593 32.146 32.146 32.199 -0.053 25280 1524 1 6 . 1 1 594 594 SER N N 594 116.126 116.126 119.834 -3.708 25280 1525 1 6 . 1 1 594 594 SER HA H 594 4.405 4.405 4.148 0.257 25280 1526 1 6 . 1 1 594 594 SER C C 594 174.478 174.478 175.936 -1.458 25280 1527 1 6 . 1 1 594 594 SER CA C 594 58.283 58.283 60.837 -2.554 25280 1528 1 6 . 1 1 594 594 SER CB C 594 63.781 63.781 63.057 0.723 25280 1529 1 6 . 1 1 594 594 SER H H 594 8.436 8.436 8.632 -0.196 25280 1530 1 6 . 1 1 595 595 ASN N N 595 120.920 120.920 121.034 -0.114 25280 1531 1 6 . 1 1 595 595 ASN HA H 595 4.711 4.711 4.553 0.158 25280 1532 1 6 . 1 1 595 595 ASN C C 595 175.089 175.089 177.059 -1.970 25280 1533 1 6 . 1 1 595 595 ASN CA C 595 53.483 53.483 55.937 -2.454 25280 1534 1 6 . 1 1 595 595 ASN CB C 595 39.060 39.060 38.270 0.790 25280 1535 1 6 . 1 1 595 595 ASN H H 595 8.460 8.460 8.520 -0.060 25280 1536 1 6 . 1 1 596 596 ASP N N 596 121.047 121.047 119.740 1.307 25280 1537 1 6 . 1 1 596 596 ASP HA H 596 4.562 4.562 4.547 0.015 25280 1538 1 6 . 1 1 596 596 ASP C C 596 176.666 176.666 177.698 -1.032 25280 1539 1 6 . 1 1 596 596 ASP CA C 596 54.776 54.776 56.176 -1.400 25280 1540 1 6 . 1 1 596 596 ASP CB C 596 41.079 41.079 40.271 0.808 25280 1541 1 6 . 1 1 596 596 ASP H H 596 8.304 8.304 7.911 0.393 25280 1542 1 6 . 1 1 597 597 GLU N N 597 121.766 121.766 120.718 1.048 25280 1543 1 6 . 1 1 597 597 GLU HA H 597 4.108 4.108 4.069 0.039 25280 1544 1 6 . 1 1 597 597 GLU C C 597 177.474 177.474 177.875 -0.401 25280 1545 1 6 . 1 1 597 597 GLU CA C 597 57.983 57.983 58.984 -1.002 25280 1546 1 6 . 1 1 597 597 GLU CB C 597 29.907 29.907 29.261 0.646 25280 1547 1 6 . 1 1 597 597 GLU H H 597 8.386 8.386 7.715 0.671 25280 1548 1 6 . 1 1 598 598 ALA N N 598 123.873 123.873 120.931 2.942 25280 1549 1 6 . 1 1 598 598 ALA C C 598 178.598 178.598 179.740 -1.142 25280 1550 1 6 . 1 1 598 598 ALA CA C 598 53.540 53.540 54.676 -1.136 25280 1551 1 6 . 1 1 598 598 ALA CB C 598 18.651 18.651 17.958 0.693 25280 1552 1 6 . 1 1 598 598 ALA H H 598 8.238 8.238 7.532 0.706 25280 1553 1 6 . 1 1 599 599 ALA N N 599 122.041 122.041 121.542 0.499 25280 1554 1 6 . 1 1 599 599 ALA HA H 599 4.225 4.225 4.099 0.126 25280 1555 1 6 . 1 1 599 599 ALA C C 599 178.877 178.877 179.741 -0.864 25280 1556 1 6 . 1 1 599 599 ALA CA C 599 53.382 53.382 54.577 -1.195 25280 1557 1 6 . 1 1 599 599 ALA CB C 599 18.779 18.779 18.584 0.195 25280 1558 1 6 . 1 1 599 599 ALA H H 599 8.017 8.017 7.793 0.224 25280 1559 1 6 . 1 1 600 600 MET N N 600 118.403 118.403 116.193 2.210 25280 1560 1 6 . 1 1 600 600 MET HA H 600 4.386 4.386 4.296 0.090 25280 1561 1 6 . 1 1 600 600 MET C C 600 176.628 176.628 177.220 -0.592 25280 1562 1 6 . 1 1 600 600 MET CA C 600 56.058 56.058 57.151 -1.093 25280 1563 1 6 . 1 1 600 600 MET CB C 600 32.504 32.504 32.354 0.150 25280 1564 1 6 . 1 1 600 600 MET H H 600 8.096 8.096 7.898 0.198 25280 1565 1 6 . 1 1 601 601 ALA N N 601 123.911 123.911 122.833 1.078 25280 1566 1 6 . 1 1 601 601 ALA HA H 601 4.228 4.228 4.043 0.185 25280 1567 1 6 . 1 1 601 601 ALA C C 601 178.582 178.582 178.939 -0.357 25280 1568 1 6 . 1 1 601 601 ALA CA C 601 53.415 53.415 54.750 -1.335 25280 1569 1 6 . 1 1 601 601 ALA CB C 601 18.732 18.732 18.050 0.682 25280 1570 1 6 . 1 1 601 601 ALA H H 601 8.049 8.049 7.338 0.711 25280 1571 1 6 . 1 1 602 602 VAL N N 602 119.320 119.320 117.675 1.645 25280 1572 1 6 . 1 1 602 602 VAL HA H 602 3.938 3.938 3.735 0.203 25280 1573 1 6 . 1 1 602 602 VAL C C 602 176.902 176.902 177.771 -0.869 25280 1574 1 6 . 1 1 602 602 VAL CA C 602 63.561 63.561 65.918 -2.357 25280 1575 1 6 . 1 1 602 602 VAL CB C 602 32.473 32.473 31.879 0.594 25280 1576 1 6 . 1 1 602 602 VAL H H 602 7.844 7.844 7.255 0.589 25280 1577 1 6 . 1 1 603 603 ILE N N 603 123.836 123.836 118.775 5.061 25280 1578 1 6 . 1 1 603 603 ILE HA H 603 3.994 3.994 3.705 0.289 25280 1579 1 6 . 1 1 603 603 ILE C C 603 177.039 177.039 178.034 -0.995 25280 1580 1 6 . 1 1 603 603 ILE CA C 603 62.259 62.259 63.904 -1.645 25280 1581 1 6 . 1 1 603 603 ILE CB C 603 38.292 38.292 38.056 0.235 25280 1582 1 6 . 1 1 603 603 ILE H H 603 8.003 8.003 7.444 0.559 25280 1583 1 6 . 1 1 604 604 MET N N 604 122.698 122.698 116.424 6.274 25280 1584 1 6 . 1 1 604 604 MET HA H 604 4.412 4.412 4.236 0.176 25280 1585 1 6 . 1 1 604 604 MET C C 604 176.884 176.884 176.342 0.542 25280 1586 1 6 . 1 1 604 604 MET CA C 604 56.136 56.136 57.080 -0.944 25280 1587 1 6 . 1 1 604 604 MET CB C 604 32.466 32.466 32.380 0.086 25280 1588 1 6 . 1 1 604 604 MET H H 604 8.414 8.414 7.586 0.828 25280 1589 1 6 . 1 1 605 605 SER N N 605 116.666 116.666 113.993 2.673 25280 1590 1 6 . 1 1 605 605 SER HA H 605 4.376 4.376 4.584 -0.208 25280 1591 1 6 . 1 1 605 605 SER C C 605 174.920 174.920 173.572 1.348 25280 1592 1 6 . 1 1 605 605 SER CA C 605 59.160 59.160 57.370 1.790 25280 1593 1 6 . 1 1 605 605 SER CB C 605 63.539 63.539 63.387 0.152 25280 1594 1 6 . 1 1 605 605 SER H H 605 8.175 8.175 7.392 0.783 25280 1595 1 6 . 1 1 606 606 LEU N N 606 123.877 123.877 124.570 -0.693 25280 1596 1 6 . 1 1 606 606 LEU HA H 606 4.329 4.329 4.541 -0.212 25280 1597 1 6 . 1 1 606 606 LEU C C 606 177.666 177.666 175.813 1.853 25280 1598 1 6 . 1 1 606 606 LEU CA C 606 55.735 55.735 55.337 0.398 25280 1599 1 6 . 1 1 606 606 LEU CB C 606 42.208 42.208 43.022 -0.814 25280 1600 1 6 . 1 1 606 606 LEU H H 606 8.098 8.098 8.416 -0.318 25280 1601 1 6 . 1 1 607 607 LEU N N 607 121.714 121.714 117.913 3.801 25280 1602 1 6 . 1 1 607 607 LEU HA H 607 4.311 4.311 4.428 -0.117 25280 1603 1 6 . 1 1 607 607 LEU C C 607 177.811 177.811 176.921 0.890 25280 1604 1 6 . 1 1 607 607 LEU CA C 607 55.664 55.664 55.108 0.556 25280 1605 1 6 . 1 1 607 607 LEU CB C 607 42.312 42.312 41.992 0.320 25280 1606 1 6 . 1 1 607 607 LEU H H 607 8.015 8.015 7.437 0.578 25280 1607 1 6 . 1 1 608 608 GLU N N 608 121.023 121.023 123.698 -2.675 25280 1608 1 6 . 1 1 608 608 GLU HA H 608 4.204 4.204 4.436 -0.232 25280 1609 1 6 . 1 1 608 608 GLU C C 608 176.604 176.604 176.118 0.486 25280 1610 1 6 . 1 1 608 608 GLU CA C 608 56.781 56.781 55.698 1.083 25280 1611 1 6 . 1 1 608 608 GLU CB C 608 30.050 30.050 29.581 0.469 25280 1612 1 6 . 1 1 608 608 GLU H H 608 8.195 8.195 8.656 -0.461 25280 1613 1 6 . 1 1 609 609 ALA N N 609 124.285 124.285 128.051 -3.766 25280 1614 1 6 . 1 1 609 609 ALA HA H 609 4.223 4.223 4.007 0.216 25280 1615 1 6 . 1 1 609 609 ALA C C 609 177.700 177.700 178.693 -0.993 25280 1616 1 6 . 1 1 609 609 ALA CA C 609 52.977 52.977 55.031 -2.054 25280 1617 1 6 . 1 1 609 609 ALA CB C 609 19.185 19.185 19.282 -0.097 25280 1618 1 6 . 1 1 609 609 ALA H H 609 8.156 8.156 8.431 -0.275 25280 1619 1 6 . 1 1 610 610 ASP N N 610 119.248 119.248 117.625 1.623 25280 1620 1 6 . 1 1 610 610 ASP HA H 610 4.549 4.549 4.401 0.148 25280 1621 1 6 . 1 1 610 610 ASP C C 610 176.353 176.353 177.098 -0.745 25280 1622 1 6 . 1 1 610 610 ASP CA C 610 54.344 54.344 55.643 -1.299 25280 1623 1 6 . 1 1 610 610 ASP CB C 610 41.237 41.237 39.619 1.618 25280 1624 1 6 . 1 1 610 610 ASP H H 610 8.215 8.215 8.403 -0.188 25280 1625 1 6 . 1 1 611 611 ALA N N 611 124.813 124.813 120.983 3.830 25280 1626 1 6 . 1 1 611 611 ALA C C 611 178.431 178.431 178.786 -0.355 25280 1627 1 6 . 1 1 611 611 ALA CA C 611 53.032 53.032 52.924 0.108 25280 1628 1 6 . 1 1 611 611 ALA CB C 611 19.186 19.186 19.041 0.145 25280 1629 1 6 . 1 1 611 611 ALA H H 611 8.211 8.211 7.411 0.800 25280 1630 1 6 . 1 1 612 612 GLY N N 612 107.402 107.402 105.842 1.560 25280 1631 1 6 . 1 1 612 612 GLY C C 612 174.554 174.554 174.479 0.075 25280 1632 1 6 . 1 1 612 612 GLY CA C 612 45.512 45.512 45.076 0.436 25280 1633 1 6 . 1 1 612 612 GLY H H 612 8.417 8.417 7.718 0.699 25280 1634 1 6 . 1 1 613 613 LEU N N 613 121.201 121.201 120.947 0.254 25280 1635 1 6 . 1 1 613 613 LEU HA H 613 4.294 4.294 4.471 -0.177 25280 1636 1 6 . 1 1 613 613 LEU C C 613 178.034 178.034 177.656 0.378 25280 1637 1 6 . 1 1 613 613 LEU CA C 613 55.410 55.410 54.462 0.948 25280 1638 1 6 . 1 1 613 613 LEU CB C 613 42.337 42.337 42.126 0.211 25280 1639 1 6 . 1 1 613 613 LEU H H 613 8.032 8.032 7.740 0.292 25280 1640 1 6 . 1 1 614 614 GLY N N 614 109.395 109.395 110.489 -1.094 25280 1641 1 6 . 1 1 614 614 GLY C C 614 174.274 174.274 175.151 -0.877 25280 1642 1 6 . 1 1 614 614 GLY CA C 614 45.088 45.088 44.852 0.236 25280 1643 1 6 . 1 1 614 614 GLY H H 614 8.438 8.438 8.786 -0.348 25280 1644 1 6 . 1 1 615 615 GLY N N 615 108.795 108.795 108.889 -0.094 25280 1645 1 6 . 1 1 615 615 GLY CA C 615 44.453 44.453 43.568 0.885 25280 1646 1 6 . 1 1 615 615 GLY H H 615 8.048 8.048 7.820 0.228 25280 1647 1 6 . 1 1 616 616 PRO HA H 616 4.416 4.416 4.308 0.108 25280 1648 1 6 . 1 1 616 616 PRO C C 616 177.062 177.062 176.717 0.345 25280 1649 1 6 . 1 1 616 616 PRO CA C 616 63.037 63.037 63.866 -0.829 25280 1650 1 6 . 1 1 616 616 PRO CB C 616 32.164 32.164 31.838 0.326 25280 1651 1 6 . 1 1 617 617 VAL N N 617 119.919 119.919 113.780 6.139 25280 1652 1 6 . 1 1 617 617 VAL HA H 617 4.041 4.041 4.312 -0.271 25280 1653 1 6 . 1 1 617 617 VAL C C 617 175.491 175.491 173.925 1.566 25280 1654 1 6 . 1 1 617 617 VAL CA C 617 62.085 62.085 60.152 1.933 25280 1655 1 6 . 1 1 617 617 VAL CB C 617 32.975 32.975 33.692 -0.717 25280 1656 1 6 . 1 1 617 617 VAL H H 617 8.207 8.207 7.301 0.906 25280 1657 1 6 . 1 1 618 618 ASP N N 618 123.606 123.606 120.580 3.026 25280 1658 1 6 . 1 1 618 618 ASP HA H 618 4.546 4.546 4.498 0.048 25280 1659 1 6 . 1 1 618 618 ASP C C 618 175.875 175.875 176.003 -0.128 25280 1660 1 6 . 1 1 618 618 ASP CA C 618 53.977 53.977 53.253 0.724 25280 1661 1 6 . 1 1 618 618 ASP CB C 618 41.472 41.472 41.627 -0.155 25280 1662 1 6 . 1 1 618 618 ASP H H 618 8.264 8.264 8.110 0.154 25280 1663 1 6 . 1 1 619 619 PHE N N 619 121.642 121.642 119.586 2.056 25280 1664 1 6 . 1 1 619 619 PHE HA H 619 4.578 4.578 4.597 -0.019 25280 1665 1 6 . 1 1 619 619 PHE C C 619 175.905 175.905 176.080 -0.175 25280 1666 1 6 . 1 1 619 619 PHE CA C 619 57.977 57.977 57.600 0.377 25280 1667 1 6 . 1 1 619 619 PHE CB C 619 39.363 39.363 39.684 -0.320 25280 1668 1 6 . 1 1 619 619 PHE H H 619 8.263 8.263 8.342 -0.079 25280 1669 1 6 . 1 1 620 620 SER N N 620 117.019 117.019 119.695 -2.676 25280 1670 1 6 . 1 1 620 620 SER HA H 620 4.325 4.325 4.466 -0.141 25280 1671 1 6 . 1 1 620 620 SER C C 620 173.926 173.926 174.791 -0.865 25280 1672 1 6 . 1 1 620 620 SER CA C 620 58.935 58.935 58.927 0.008 25280 1673 1 6 . 1 1 620 620 SER CB C 620 63.804 63.804 63.903 -0.099 25280 1674 1 6 . 1 1 620 620 SER H H 620 8.274 8.274 8.692 -0.418 25280 1675 1 6 . 1 1 621 621 ASP N N 621 121.939 121.939 123.294 -1.355 25280 1676 1 6 . 1 1 621 621 ASP HA H 621 4.596 4.596 4.639 -0.043 25280 1677 1 6 . 1 1 621 621 ASP C C 621 175.540 175.540 175.646 -0.106 25280 1678 1 6 . 1 1 621 621 ASP CA C 621 54.099 54.099 54.121 -0.022 25280 1679 1 6 . 1 1 621 621 ASP CB C 621 41.098 41.098 40.623 0.475 25280 1680 1 6 . 1 1 621 621 ASP H H 621 8.218 8.218 8.479 -0.261 25280 1681 1 6 . 1 1 622 622 LEU N N 622 122.946 122.946 124.001 -1.055 25280 1682 1 6 . 1 1 622 622 LEU HA H 622 4.513 4.513 4.283 0.230 25280 1683 1 6 . 1 1 622 622 LEU CA C 622 52.999 52.999 54.163 -1.164 25280 1684 1 6 . 1 1 622 622 LEU CB C 622 41.847 41.847 41.465 0.382 25280 1685 1 6 . 1 1 622 622 LEU H H 622 7.900 7.900 7.766 0.134 25280 1686 1 6 . 1 1 623 623 PRO HA H 623 4.335 4.335 4.441 -0.106 25280 1687 1 6 . 1 1 623 623 PRO C C 623 176.233 176.233 176.295 -0.062 25280 1688 1 6 . 1 1 623 623 PRO CA C 623 62.969 62.969 62.488 0.481 25280 1689 1 6 . 1 1 623 623 PRO CB C 623 31.645 31.645 31.956 -0.311 25280 1690 1 6 . 1 1 624 624 TRP N N 624 122.332 122.332 127.281 -4.949 25280 1691 1 6 . 1 1 624 624 TRP HA H 624 4.903 4.903 4.481 0.422 25280 1692 1 6 . 1 1 624 624 TRP CA C 624 54.676 54.676 56.563 -1.887 25280 1693 1 6 . 1 1 624 624 TRP CB C 624 29.101 29.101 27.549 1.552 25280 1694 1 6 . 1 1 624 624 TRP H H 624 7.967 7.967 8.437 -0.470 25280 1695 1 6 . 1 1 625 625 PRO HA H 625 4.400 4.400 4.090 0.310 25280 1696 1 6 . 1 1 625 625 PRO C C 625 175.842 175.842 176.599 -0.757 25280 1697 1 6 . 1 1 625 625 PRO CA C 625 63.221 63.221 63.783 -0.562 25280 1698 1 6 . 1 1 625 625 PRO CB C 625 31.812 31.812 31.810 0.002 25280 1699 1 7 . 1 1 574 574 MET N N 574 117.950 117.950 121.683 -3.733 25280 1700 1 7 . 1 1 574 574 MET HA H 574 4.485 4.485 4.541 -0.056 25280 1701 1 7 . 1 1 574 574 MET C C 574 175.669 175.669 175.948 -0.279 25280 1702 1 7 . 1 1 574 574 MET CA C 574 54.944 54.944 55.433 -0.489 25280 1703 1 7 . 1 1 574 574 MET CB C 574 32.476 32.476 33.269 -0.793 25280 1704 1 7 . 1 1 574 574 MET H H 574 8.461 8.461 8.257 0.204 25280 1705 1 7 . 1 1 575 575 ASP N N 575 122.898 122.898 124.029 -1.131 25280 1706 1 7 . 1 1 575 575 ASP CA C 575 52.807 52.807 52.885 -0.077 25280 1707 1 7 . 1 1 575 575 ASP CB C 575 40.926 40.926 41.129 -0.203 25280 1708 1 7 . 1 1 575 575 ASP H H 575 8.101 8.101 8.640 -0.539 25280 1709 1 7 . 1 1 576 576 PRO HA H 576 4.344 4.344 4.346 -0.002 25280 1710 1 7 . 1 1 576 576 PRO C C 576 177.044 177.044 177.423 -0.379 25280 1711 1 7 . 1 1 576 576 PRO CA C 576 63.623 63.623 64.438 -0.815 25280 1712 1 7 . 1 1 576 576 PRO CB C 576 32.082 32.082 32.080 0.002 25280 1713 1 7 . 1 1 577 577 GLU N N 577 119.542 119.542 118.115 1.427 25280 1714 1 7 . 1 1 577 577 GLU HA H 577 4.122 4.122 4.212 -0.090 25280 1715 1 7 . 1 1 577 577 GLU C C 577 176.229 176.229 176.324 -0.095 25280 1716 1 7 . 1 1 577 577 GLU CA C 577 56.941 56.941 57.512 -0.571 25280 1717 1 7 . 1 1 577 577 GLU CB C 577 30.073 30.073 29.823 0.250 25280 1718 1 7 . 1 1 577 577 GLU H H 577 8.524 8.524 8.490 0.034 25280 1719 1 7 . 1 1 578 578 PHE N N 578 120.435 120.435 118.114 2.321 25280 1720 1 7 . 1 1 578 578 PHE HA H 578 4.605 4.605 4.683 -0.078 25280 1721 1 7 . 1 1 578 578 PHE C C 578 175.385 175.385 173.676 1.709 25280 1722 1 7 . 1 1 578 578 PHE CA C 578 57.624 57.624 57.864 -0.240 25280 1723 1 7 . 1 1 578 578 PHE CB C 578 39.740 39.740 41.355 -1.615 25280 1724 1 7 . 1 1 578 578 PHE H H 578 8.076 8.076 7.443 0.633 25280 1725 1 7 . 1 1 579 579 ILE N N 579 123.348 123.348 127.025 -3.677 25280 1726 1 7 . 1 1 579 579 ILE HA H 579 4.089 4.089 4.211 -0.122 25280 1727 1 7 . 1 1 579 579 ILE C C 579 176.118 176.118 175.364 0.754 25280 1728 1 7 . 1 1 579 579 ILE CA C 579 61.181 61.181 60.591 0.590 25280 1729 1 7 . 1 1 579 579 ILE CB C 579 38.751 38.751 38.257 0.494 25280 1730 1 7 . 1 1 579 579 ILE H H 579 7.917 7.917 7.878 0.039 25280 1731 1 7 . 1 1 580 580 GLY N N 580 112.431 112.431 115.783 -3.352 25280 1732 1 7 . 1 1 580 580 GLY C C 580 173.918 173.918 174.435 -0.517 25280 1733 1 7 . 1 1 580 580 GLY CA C 580 45.395 45.395 44.376 1.019 25280 1734 1 7 . 1 1 580 580 GLY H H 580 8.051 8.051 8.510 -0.459 25280 1735 1 7 . 1 1 581 581 ILE N N 581 119.415 119.415 127.549 -8.134 25280 1736 1 7 . 1 1 581 581 ILE HA H 581 4.176 4.176 3.870 0.306 25280 1737 1 7 . 1 1 581 581 ILE C C 581 175.785 175.785 175.696 0.089 25280 1738 1 7 . 1 1 581 581 ILE CA C 581 61.159 61.159 61.393 -0.234 25280 1739 1 7 . 1 1 581 581 ILE CB C 581 39.139 39.139 36.393 2.746 25280 1740 1 7 . 1 1 581 581 ILE H H 581 7.925 7.925 8.138 -0.213 25280 1741 1 7 . 1 1 582 582 ASP N N 582 123.440 123.440 125.596 -2.156 25280 1742 1 7 . 1 1 582 582 ASP HA H 582 4.565 4.565 4.597 -0.032 25280 1743 1 7 . 1 1 582 582 ASP C C 582 175.891 175.891 175.968 -0.077 25280 1744 1 7 . 1 1 582 582 ASP CA C 582 54.394 54.394 53.799 0.595 25280 1745 1 7 . 1 1 582 582 ASP CB C 582 41.070 41.070 41.273 -0.203 25280 1746 1 7 . 1 1 582 582 ASP H H 582 8.428 8.428 8.068 0.360 25280 1747 1 7 . 1 1 583 583 MET N N 583 120.813 120.813 118.062 2.751 25280 1748 1 7 . 1 1 583 583 MET HA H 583 4.458 4.458 4.495 -0.037 25280 1749 1 7 . 1 1 583 583 MET C C 583 175.962 175.962 175.590 0.372 25280 1750 1 7 . 1 1 583 583 MET CA C 583 55.401 55.401 55.549 -0.148 25280 1751 1 7 . 1 1 583 583 MET CB C 583 32.942 32.942 33.180 -0.238 25280 1752 1 7 . 1 1 583 583 MET H H 583 8.207 8.207 8.057 0.150 25280 1753 1 7 . 1 1 584 584 ILE N N 584 122.088 122.088 121.428 0.660 25280 1754 1 7 . 1 1 584 584 ILE HA H 584 4.113 4.113 4.173 -0.060 25280 1755 1 7 . 1 1 584 584 ILE C C 584 175.758 175.758 175.214 0.544 25280 1756 1 7 . 1 1 584 584 ILE CA C 584 61.193 61.193 61.484 -0.291 25280 1757 1 7 . 1 1 584 584 ILE CB C 584 38.815 38.815 38.418 0.397 25280 1758 1 7 . 1 1 584 584 ILE H H 584 8.090 8.090 8.162 -0.072 25280 1759 1 7 . 1 1 585 585 ASP N N 585 124.211 124.211 128.058 -3.847 25280 1760 1 7 . 1 1 585 585 ASP HA H 585 4.603 4.603 4.853 -0.250 25280 1761 1 7 . 1 1 585 585 ASP C C 585 175.880 175.880 175.495 0.385 25280 1762 1 7 . 1 1 585 585 ASP CA C 585 54.213 54.213 53.754 0.459 25280 1763 1 7 . 1 1 585 585 ASP CB C 585 41.175 41.175 42.108 -0.933 25280 1764 1 7 . 1 1 585 585 ASP H H 585 8.395 8.395 8.623 -0.228 25280 1765 1 7 . 1 1 586 586 ASN N N 586 119.932 119.932 120.803 -0.871 25280 1766 1 7 . 1 1 586 586 ASN HA H 586 4.681 4.681 4.464 0.217 25280 1767 1 7 . 1 1 586 586 ASN C C 586 175.085 175.085 175.589 -0.504 25280 1768 1 7 . 1 1 586 586 ASN CA C 586 53.488 53.488 54.928 -1.440 25280 1769 1 7 . 1 1 586 586 ASN CB C 586 39.212 39.212 39.215 -0.003 25280 1770 1 7 . 1 1 586 586 ASN H H 586 8.362 8.362 8.752 -0.390 25280 1771 1 7 . 1 1 587 587 ASP N N 587 120.991 120.991 118.106 2.885 25280 1772 1 7 . 1 1 587 587 ASP HA H 587 4.584 4.584 4.404 0.180 25280 1773 1 7 . 1 1 587 587 ASP C C 587 176.594 176.594 178.082 -1.488 25280 1774 1 7 . 1 1 587 587 ASP CA C 587 54.770 54.770 56.004 -1.234 25280 1775 1 7 . 1 1 587 587 ASP CB C 587 41.113 41.113 39.736 1.377 25280 1776 1 7 . 1 1 587 587 ASP H H 587 8.417 8.417 8.513 -0.096 25280 1777 1 7 . 1 1 588 588 GLN N N 588 120.536 120.536 118.511 2.025 25280 1778 1 7 . 1 1 588 588 GLN HA H 588 4.276 4.276 4.149 0.127 25280 1779 1 7 . 1 1 588 588 GLN C C 588 176.825 176.825 177.461 -0.636 25280 1780 1 7 . 1 1 588 588 GLN CA C 588 56.197 56.197 56.428 -0.231 25280 1781 1 7 . 1 1 588 588 GLN CB C 588 29.189 29.189 28.999 0.190 25280 1782 1 7 . 1 1 588 588 GLN H H 588 8.351 8.351 7.772 0.579 25280 1783 1 7 . 1 1 589 589 GLY N N 589 109.481 109.481 107.367 2.114 25280 1784 1 7 . 1 1 589 589 GLY C C 589 174.353 174.353 174.563 -0.210 25280 1785 1 7 . 1 1 589 589 GLY CA C 589 45.495 45.495 45.326 0.169 25280 1786 1 7 . 1 1 589 589 GLY H H 589 8.440 8.440 7.676 0.764 25280 1787 1 7 . 1 1 590 590 SER N N 590 115.518 115.518 115.691 -0.173 25280 1788 1 7 . 1 1 590 590 SER HA H 590 4.493 4.493 4.350 0.143 25280 1789 1 7 . 1 1 590 590 SER C C 590 174.643 174.643 175.190 -0.547 25280 1790 1 7 . 1 1 590 590 SER CA C 590 58.215 58.215 59.102 -0.887 25280 1791 1 7 . 1 1 590 590 SER CB C 590 63.883 63.883 63.606 0.277 25280 1792 1 7 . 1 1 590 590 SER H H 590 8.187 8.187 8.154 0.033 25280 1793 1 7 . 1 1 591 591 SER N N 591 117.781 117.781 121.396 -3.615 25280 1794 1 7 . 1 1 591 591 SER HA H 591 4.518 4.518 4.602 -0.084 25280 1795 1 7 . 1 1 591 591 SER C C 591 174.128 174.128 173.590 0.538 25280 1796 1 7 . 1 1 591 591 SER CA C 591 58.151 58.151 58.137 0.014 25280 1797 1 7 . 1 1 591 591 SER CB C 591 63.838 63.838 64.372 -0.534 25280 1798 1 7 . 1 1 591 591 SER H H 591 8.362 8.362 8.210 0.152 25280 1799 1 7 . 1 1 592 592 SER N N 592 118.898 118.898 117.351 1.547 25280 1800 1 7 . 1 1 592 592 SER CA C 592 56.483 56.483 58.125 -1.642 25280 1801 1 7 . 1 1 592 592 SER CB C 592 63.507 63.507 62.773 0.734 25280 1802 1 7 . 1 1 592 592 SER H H 592 8.336 8.336 8.312 0.024 25280 1803 1 7 . 1 1 593 593 PRO HA H 593 4.459 4.459 4.430 0.029 25280 1804 1 7 . 1 1 593 593 PRO C C 593 177.037 177.037 177.797 -0.760 25280 1805 1 7 . 1 1 593 593 PRO CA C 593 63.337 63.337 62.943 0.394 25280 1806 1 7 . 1 1 593 593 PRO CB C 593 32.146 32.146 32.148 -0.002 25280 1807 1 7 . 1 1 594 594 SER N N 594 116.126 116.126 114.926 1.200 25280 1808 1 7 . 1 1 594 594 SER HA H 594 4.405 4.405 4.154 0.251 25280 1809 1 7 . 1 1 594 594 SER C C 594 174.478 174.478 176.381 -1.903 25280 1810 1 7 . 1 1 594 594 SER CA C 594 58.283 58.283 61.430 -3.147 25280 1811 1 7 . 1 1 594 594 SER CB C 594 63.781 63.781 62.738 1.043 25280 1812 1 7 . 1 1 594 594 SER H H 594 8.436 8.436 8.623 -0.187 25280 1813 1 7 . 1 1 595 595 ASN N N 595 120.920 120.920 118.953 1.967 25280 1814 1 7 . 1 1 595 595 ASN HA H 595 4.711 4.711 4.455 0.256 25280 1815 1 7 . 1 1 595 595 ASN C C 595 175.089 175.089 177.207 -2.118 25280 1816 1 7 . 1 1 595 595 ASN CA C 595 53.483 53.483 56.314 -2.831 25280 1817 1 7 . 1 1 595 595 ASN CB C 595 39.060 39.060 38.131 0.929 25280 1818 1 7 . 1 1 595 595 ASN H H 595 8.460 8.460 8.298 0.162 25280 1819 1 7 . 1 1 596 596 ASP N N 596 121.047 121.047 119.321 1.726 25280 1820 1 7 . 1 1 596 596 ASP HA H 596 4.562 4.562 4.331 0.231 25280 1821 1 7 . 1 1 596 596 ASP C C 596 176.666 176.666 178.220 -1.554 25280 1822 1 7 . 1 1 596 596 ASP CA C 596 54.776 54.776 57.249 -2.474 25280 1823 1 7 . 1 1 596 596 ASP CB C 596 41.079 41.079 39.826 1.253 25280 1824 1 7 . 1 1 596 596 ASP H H 596 8.304 8.304 8.564 -0.260 25280 1825 1 7 . 1 1 597 597 GLU N N 597 121.766 121.766 120.767 0.999 25280 1826 1 7 . 1 1 597 597 GLU HA H 597 4.108 4.108 4.075 0.033 25280 1827 1 7 . 1 1 597 597 GLU C C 597 177.474 177.474 178.727 -1.253 25280 1828 1 7 . 1 1 597 597 GLU CA C 597 57.983 57.983 58.839 -0.856 25280 1829 1 7 . 1 1 597 597 GLU CB C 597 29.907 29.907 29.348 0.559 25280 1830 1 7 . 1 1 597 597 GLU H H 597 8.386 8.386 7.539 0.847 25280 1831 1 7 . 1 1 598 598 ALA N N 598 123.873 123.873 121.636 2.237 25280 1832 1 7 . 1 1 598 598 ALA C C 598 178.598 178.598 178.701 -0.103 25280 1833 1 7 . 1 1 598 598 ALA CA C 598 53.540 53.540 54.650 -1.110 25280 1834 1 7 . 1 1 598 598 ALA CB C 598 18.651 18.651 18.363 0.288 25280 1835 1 7 . 1 1 598 598 ALA H H 598 8.238 8.238 7.364 0.874 25280 1836 1 7 . 1 1 599 599 ALA N N 599 122.041 122.041 120.038 2.003 25280 1837 1 7 . 1 1 599 599 ALA HA H 599 4.225 4.225 4.081 0.144 25280 1838 1 7 . 1 1 599 599 ALA C C 599 178.877 178.877 180.152 -1.275 25280 1839 1 7 . 1 1 599 599 ALA CA C 599 53.382 53.382 54.512 -1.130 25280 1840 1 7 . 1 1 599 599 ALA CB C 599 18.779 18.779 18.646 0.133 25280 1841 1 7 . 1 1 599 599 ALA H H 599 8.017 8.017 7.451 0.566 25280 1842 1 7 . 1 1 600 600 MET N N 600 118.403 118.403 117.789 0.614 25280 1843 1 7 . 1 1 600 600 MET HA H 600 4.386 4.386 4.258 0.128 25280 1844 1 7 . 1 1 600 600 MET C C 600 176.628 176.628 178.166 -1.538 25280 1845 1 7 . 1 1 600 600 MET CA C 600 56.058 56.058 58.247 -2.189 25280 1846 1 7 . 1 1 600 600 MET CB C 600 32.504 32.504 32.822 -0.318 25280 1847 1 7 . 1 1 600 600 MET H H 600 8.096 8.096 7.522 0.574 25280 1848 1 7 . 1 1 601 601 ALA N N 601 123.911 123.911 121.547 2.364 25280 1849 1 7 . 1 1 601 601 ALA HA H 601 4.228 4.228 4.132 0.096 25280 1850 1 7 . 1 1 601 601 ALA C C 601 178.582 178.582 179.051 -0.469 25280 1851 1 7 . 1 1 601 601 ALA CA C 601 53.415 53.415 54.538 -1.123 25280 1852 1 7 . 1 1 601 601 ALA CB C 601 18.732 18.732 17.509 1.223 25280 1853 1 7 . 1 1 601 601 ALA H H 601 8.049 8.049 8.333 -0.284 25280 1854 1 7 . 1 1 602 602 VAL N N 602 119.320 119.320 115.463 3.857 25280 1855 1 7 . 1 1 602 602 VAL HA H 602 3.938 3.938 3.759 0.179 25280 1856 1 7 . 1 1 602 602 VAL C C 602 176.902 176.902 177.323 -0.421 25280 1857 1 7 . 1 1 602 602 VAL CA C 602 63.561 63.561 64.706 -1.145 25280 1858 1 7 . 1 1 602 602 VAL CB C 602 32.473 32.473 31.413 1.060 25280 1859 1 7 . 1 1 602 602 VAL H H 602 7.844 7.844 7.230 0.614 25280 1860 1 7 . 1 1 603 603 ILE N N 603 123.836 123.836 120.463 3.373 25280 1861 1 7 . 1 1 603 603 ILE HA H 603 3.994 3.994 3.762 0.232 25280 1862 1 7 . 1 1 603 603 ILE C C 603 177.039 177.039 177.236 -0.197 25280 1863 1 7 . 1 1 603 603 ILE CA C 603 62.259 62.259 63.914 -1.655 25280 1864 1 7 . 1 1 603 603 ILE CB C 603 38.292 38.292 38.167 0.125 25280 1865 1 7 . 1 1 603 603 ILE H H 603 8.003 8.003 7.959 0.044 25280 1866 1 7 . 1 1 604 604 MET N N 604 122.698 122.698 117.042 5.656 25280 1867 1 7 . 1 1 604 604 MET HA H 604 4.412 4.412 4.251 0.161 25280 1868 1 7 . 1 1 604 604 MET C C 604 176.884 176.884 176.747 0.137 25280 1869 1 7 . 1 1 604 604 MET CA C 604 56.136 56.136 58.008 -1.872 25280 1870 1 7 . 1 1 604 604 MET CB C 604 32.466 32.466 33.186 -0.720 25280 1871 1 7 . 1 1 604 604 MET H H 604 8.414 8.414 7.516 0.898 25280 1872 1 7 . 1 1 605 605 SER N N 605 116.666 116.666 113.889 2.777 25280 1873 1 7 . 1 1 605 605 SER HA H 605 4.376 4.376 4.630 -0.254 25280 1874 1 7 . 1 1 605 605 SER C C 605 174.920 174.920 174.120 0.800 25280 1875 1 7 . 1 1 605 605 SER CA C 605 59.160 59.160 57.600 1.560 25280 1876 1 7 . 1 1 605 605 SER CB C 605 63.539 63.539 63.175 0.364 25280 1877 1 7 . 1 1 605 605 SER H H 605 8.175 8.175 7.453 0.722 25280 1878 1 7 . 1 1 606 606 LEU N N 606 123.877 123.877 121.537 2.340 25280 1879 1 7 . 1 1 606 606 LEU HA H 606 4.329 4.329 4.705 -0.376 25280 1880 1 7 . 1 1 606 606 LEU C C 606 177.666 177.666 176.544 1.122 25280 1881 1 7 . 1 1 606 606 LEU CA C 606 55.735 55.735 55.003 0.732 25280 1882 1 7 . 1 1 606 606 LEU CB C 606 42.208 42.208 42.367 -0.159 25280 1883 1 7 . 1 1 606 606 LEU H H 606 8.098 8.098 8.466 -0.368 25280 1884 1 7 . 1 1 607 607 LEU N N 607 121.714 121.714 118.887 2.827 25280 1885 1 7 . 1 1 607 607 LEU HA H 607 4.311 4.311 4.531 -0.220 25280 1886 1 7 . 1 1 607 607 LEU C C 607 177.811 177.811 176.777 1.034 25280 1887 1 7 . 1 1 607 607 LEU CA C 607 55.664 55.664 54.309 1.355 25280 1888 1 7 . 1 1 607 607 LEU CB C 607 42.312 42.312 42.615 -0.303 25280 1889 1 7 . 1 1 607 607 LEU H H 607 8.015 8.015 7.368 0.647 25280 1890 1 7 . 1 1 608 608 GLU N N 608 121.023 121.023 122.980 -1.957 25280 1891 1 7 . 1 1 608 608 GLU HA H 608 4.204 4.204 4.503 -0.299 25280 1892 1 7 . 1 1 608 608 GLU C C 608 176.604 176.604 176.642 -0.038 25280 1893 1 7 . 1 1 608 608 GLU CA C 608 56.781 56.781 55.365 1.416 25280 1894 1 7 . 1 1 608 608 GLU CB C 608 30.050 30.050 29.274 0.775 25280 1895 1 7 . 1 1 608 608 GLU H H 608 8.195 8.195 8.835 -0.640 25280 1896 1 7 . 1 1 609 609 ALA N N 609 124.285 124.285 129.982 -5.697 25280 1897 1 7 . 1 1 609 609 ALA HA H 609 4.223 4.223 4.126 0.097 25280 1898 1 7 . 1 1 609 609 ALA C C 609 177.700 177.700 178.565 -0.865 25280 1899 1 7 . 1 1 609 609 ALA CA C 609 52.977 52.977 54.888 -1.911 25280 1900 1 7 . 1 1 609 609 ALA CB C 609 19.185 19.185 18.913 0.272 25280 1901 1 7 . 1 1 609 609 ALA H H 609 8.156 8.156 8.249 -0.093 25280 1902 1 7 . 1 1 610 610 ASP N N 610 119.248 119.248 118.158 1.090 25280 1903 1 7 . 1 1 610 610 ASP HA H 610 4.549 4.549 4.435 0.114 25280 1904 1 7 . 1 1 610 610 ASP C C 610 176.353 176.353 176.955 -0.602 25280 1905 1 7 . 1 1 610 610 ASP CA C 610 54.344 54.344 55.826 -1.482 25280 1906 1 7 . 1 1 610 610 ASP CB C 610 41.237 41.237 39.970 1.267 25280 1907 1 7 . 1 1 610 610 ASP H H 610 8.215 8.215 8.495 -0.280 25280 1908 1 7 . 1 1 611 611 ALA N N 611 124.813 124.813 121.746 3.067 25280 1909 1 7 . 1 1 611 611 ALA C C 611 178.431 178.431 178.401 0.030 25280 1910 1 7 . 1 1 611 611 ALA CA C 611 53.032 53.032 53.047 -0.015 25280 1911 1 7 . 1 1 611 611 ALA CB C 611 19.186 19.186 19.235 -0.049 25280 1912 1 7 . 1 1 611 611 ALA H H 611 8.211 8.211 7.453 0.758 25280 1913 1 7 . 1 1 612 612 GLY N N 612 107.402 107.402 108.003 -0.601 25280 1914 1 7 . 1 1 612 612 GLY C C 612 174.554 174.554 174.511 0.043 25280 1915 1 7 . 1 1 612 612 GLY CA C 612 45.512 45.512 44.742 0.770 25280 1916 1 7 . 1 1 612 612 GLY H H 612 8.417 8.417 7.869 0.548 25280 1917 1 7 . 1 1 613 613 LEU N N 613 121.201 121.201 117.143 4.058 25280 1918 1 7 . 1 1 613 613 LEU HA H 613 4.294 4.294 4.350 -0.056 25280 1919 1 7 . 1 1 613 613 LEU C C 613 178.034 178.034 177.795 0.239 25280 1920 1 7 . 1 1 613 613 LEU CA C 613 55.410 55.410 55.223 0.187 25280 1921 1 7 . 1 1 613 613 LEU CB C 613 42.337 42.337 41.940 0.397 25280 1922 1 7 . 1 1 613 613 LEU H H 613 8.032 8.032 7.976 0.056 25280 1923 1 7 . 1 1 614 614 GLY N N 614 109.395 109.395 105.562 3.833 25280 1924 1 7 . 1 1 614 614 GLY C C 614 174.274 174.274 174.901 -0.627 25280 1925 1 7 . 1 1 614 614 GLY CA C 614 45.088 45.088 44.802 0.286 25280 1926 1 7 . 1 1 614 614 GLY H H 614 8.438 8.438 8.764 -0.326 25280 1927 1 7 . 1 1 615 615 GLY N N 615 108.795 108.795 109.194 -0.399 25280 1928 1 7 . 1 1 615 615 GLY CA C 615 44.453 44.453 43.755 0.698 25280 1929 1 7 . 1 1 615 615 GLY H H 615 8.048 8.048 7.980 0.068 25280 1930 1 7 . 1 1 616 616 PRO HA H 616 4.416 4.416 4.436 -0.020 25280 1931 1 7 . 1 1 616 616 PRO C C 616 177.062 177.062 176.373 0.689 25280 1932 1 7 . 1 1 616 616 PRO CA C 616 63.037 63.037 62.212 0.825 25280 1933 1 7 . 1 1 616 616 PRO CB C 616 32.164 32.164 32.388 -0.224 25280 1934 1 7 . 1 1 617 617 VAL N N 617 119.919 119.919 118.745 1.174 25280 1935 1 7 . 1 1 617 617 VAL HA H 617 4.041 4.041 4.087 -0.046 25280 1936 1 7 . 1 1 617 617 VAL C C 617 175.491 175.491 175.530 -0.039 25280 1937 1 7 . 1 1 617 617 VAL CA C 617 62.085 62.085 62.330 -0.245 25280 1938 1 7 . 1 1 617 617 VAL CB C 617 32.975 32.975 31.885 1.090 25280 1939 1 7 . 1 1 617 617 VAL H H 617 8.207 8.207 8.013 0.194 25280 1940 1 7 . 1 1 618 618 ASP N N 618 123.606 123.606 124.285 -0.679 25280 1941 1 7 . 1 1 618 618 ASP HA H 618 4.546 4.546 4.337 0.209 25280 1942 1 7 . 1 1 618 618 ASP C C 618 175.875 175.875 175.660 0.215 25280 1943 1 7 . 1 1 618 618 ASP CA C 618 53.977 53.977 53.883 0.094 25280 1944 1 7 . 1 1 618 618 ASP CB C 618 41.472 41.472 41.504 -0.032 25280 1945 1 7 . 1 1 618 618 ASP H H 618 8.264 8.264 8.153 0.111 25280 1946 1 7 . 1 1 619 619 PHE N N 619 121.642 121.642 120.522 1.120 25280 1947 1 7 . 1 1 619 619 PHE HA H 619 4.578 4.578 4.421 0.157 25280 1948 1 7 . 1 1 619 619 PHE C C 619 175.905 175.905 176.214 -0.309 25280 1949 1 7 . 1 1 619 619 PHE CA C 619 57.977 57.977 59.289 -1.312 25280 1950 1 7 . 1 1 619 619 PHE CB C 619 39.363 39.363 39.488 -0.125 25280 1951 1 7 . 1 1 619 619 PHE H H 619 8.263 8.263 8.251 0.012 25280 1952 1 7 . 1 1 620 620 SER N N 620 117.019 117.019 116.577 0.442 25280 1953 1 7 . 1 1 620 620 SER HA H 620 4.325 4.325 4.743 -0.418 25280 1954 1 7 . 1 1 620 620 SER C C 620 173.926 173.926 172.758 1.168 25280 1955 1 7 . 1 1 620 620 SER CA C 620 58.935 58.935 57.240 1.695 25280 1956 1 7 . 1 1 620 620 SER CB C 620 63.804 63.804 65.242 -1.438 25280 1957 1 7 . 1 1 620 620 SER H H 620 8.274 8.274 8.266 0.008 25280 1958 1 7 . 1 1 621 621 ASP N N 621 121.939 121.939 120.904 1.035 25280 1959 1 7 . 1 1 621 621 ASP HA H 621 4.596 4.596 5.033 -0.437 25280 1960 1 7 . 1 1 621 621 ASP C C 621 175.540 175.540 174.723 0.817 25280 1961 1 7 . 1 1 621 621 ASP CA C 621 54.099 54.099 53.336 0.763 25280 1962 1 7 . 1 1 621 621 ASP CB C 621 41.098 41.098 42.204 -1.106 25280 1963 1 7 . 1 1 621 621 ASP H H 621 8.218 8.218 8.768 -0.550 25280 1964 1 7 . 1 1 622 622 LEU N N 622 122.946 122.946 120.452 2.494 25280 1965 1 7 . 1 1 622 622 LEU HA H 622 4.513 4.513 4.605 -0.092 25280 1966 1 7 . 1 1 622 622 LEU CA C 622 52.999 52.999 54.012 -1.013 25280 1967 1 7 . 1 1 622 622 LEU CB C 622 41.847 41.847 42.644 -0.797 25280 1968 1 7 . 1 1 622 622 LEU H H 622 7.900 7.900 8.458 -0.558 25280 1969 1 7 . 1 1 623 623 PRO HA H 623 4.335 4.335 4.723 -0.388 25280 1970 1 7 . 1 1 623 623 PRO C C 623 176.233 176.233 175.259 0.974 25280 1971 1 7 . 1 1 623 623 PRO CA C 623 62.969 62.969 63.577 -0.608 25280 1972 1 7 . 1 1 623 623 PRO CB C 623 31.645 31.645 32.241 -0.596 25280 1973 1 7 . 1 1 624 624 TRP N N 624 122.332 122.332 125.154 -2.822 25280 1974 1 7 . 1 1 624 624 TRP HA H 624 4.903 4.903 4.726 0.177 25280 1975 1 7 . 1 1 624 624 TRP CA C 624 54.676 54.676 55.059 -0.383 25280 1976 1 7 . 1 1 624 624 TRP CB C 624 29.101 29.101 28.978 0.123 25280 1977 1 7 . 1 1 624 624 TRP H H 624 7.967 7.967 8.321 -0.354 25280 1978 1 7 . 1 1 625 625 PRO HA H 625 4.400 4.400 4.577 -0.177 25280 1979 1 7 . 1 1 625 625 PRO C C 625 175.842 175.842 176.173 -0.331 25280 1980 1 7 . 1 1 625 625 PRO CA C 625 63.221 63.221 63.317 -0.096 25280 1981 1 7 . 1 1 625 625 PRO CB C 625 31.812 31.812 32.530 -0.718 25280 1982 1 8 . 1 1 574 574 MET N N 574 117.950 117.950 120.053 -2.103 25280 1983 1 8 . 1 1 574 574 MET HA H 574 4.485 4.485 4.541 -0.056 25280 1984 1 8 . 1 1 574 574 MET C C 574 175.669 175.669 175.214 0.455 25280 1985 1 8 . 1 1 574 574 MET CA C 574 54.944 54.944 54.951 -0.007 25280 1986 1 8 . 1 1 574 574 MET CB C 574 32.476 32.476 33.250 -0.774 25280 1987 1 8 . 1 1 574 574 MET H H 574 8.461 8.461 8.156 0.305 25280 1988 1 8 . 1 1 575 575 ASP N N 575 122.898 122.898 122.083 0.815 25280 1989 1 8 . 1 1 575 575 ASP CA C 575 52.807 52.807 53.188 -0.381 25280 1990 1 8 . 1 1 575 575 ASP CB C 575 40.926 40.926 40.536 0.390 25280 1991 1 8 . 1 1 575 575 ASP H H 575 8.101 8.101 8.423 -0.322 25280 1992 1 8 . 1 1 576 576 PRO HA H 576 4.344 4.344 3.977 0.367 25280 1993 1 8 . 1 1 576 576 PRO C C 576 177.044 177.044 176.277 0.767 25280 1994 1 8 . 1 1 576 576 PRO CA C 576 63.623 63.623 63.153 0.470 25280 1995 1 8 . 1 1 576 576 PRO CB C 576 32.082 32.082 32.011 0.071 25280 1996 1 8 . 1 1 577 577 GLU N N 577 119.542 119.542 120.872 -1.330 25280 1997 1 8 . 1 1 577 577 GLU HA H 577 4.122 4.122 4.165 -0.043 25280 1998 1 8 . 1 1 577 577 GLU C C 577 176.229 176.229 176.573 -0.344 25280 1999 1 8 . 1 1 577 577 GLU CA C 577 56.941 56.941 57.471 -0.530 25280 2000 1 8 . 1 1 577 577 GLU CB C 577 30.073 30.073 30.122 -0.049 25280 2001 1 8 . 1 1 577 577 GLU H H 577 8.524 8.524 8.705 -0.181 25280 2002 1 8 . 1 1 578 578 PHE N N 578 120.435 120.435 116.053 4.382 25280 2003 1 8 . 1 1 578 578 PHE HA H 578 4.605 4.605 4.863 -0.258 25280 2004 1 8 . 1 1 578 578 PHE C C 578 175.385 175.385 175.020 0.365 25280 2005 1 8 . 1 1 578 578 PHE CA C 578 57.624 57.624 55.880 1.744 25280 2006 1 8 . 1 1 578 578 PHE CB C 578 39.740 39.740 39.948 -0.208 25280 2007 1 8 . 1 1 578 578 PHE H H 578 8.076 8.076 7.081 0.995 25280 2008 1 8 . 1 1 579 579 ILE N N 579 123.348 123.348 122.657 0.691 25280 2009 1 8 . 1 1 579 579 ILE HA H 579 4.089 4.089 4.030 0.059 25280 2010 1 8 . 1 1 579 579 ILE C C 579 176.118 176.118 176.581 -0.463 25280 2011 1 8 . 1 1 579 579 ILE CA C 579 61.181 61.181 61.732 -0.551 25280 2012 1 8 . 1 1 579 579 ILE CB C 579 38.751 38.751 36.912 1.839 25280 2013 1 8 . 1 1 579 579 ILE H H 579 7.917 7.917 8.907 -0.990 25280 2014 1 8 . 1 1 580 580 GLY N N 580 112.431 112.431 116.683 -4.252 25280 2015 1 8 . 1 1 580 580 GLY C C 580 173.918 173.918 173.684 0.234 25280 2016 1 8 . 1 1 580 580 GLY CA C 580 45.395 45.395 44.994 0.401 25280 2017 1 8 . 1 1 580 580 GLY H H 580 8.051 8.051 8.186 -0.135 25280 2018 1 8 . 1 1 581 581 ILE N N 581 119.415 119.415 122.839 -3.424 25280 2019 1 8 . 1 1 581 581 ILE HA H 581 4.176 4.176 4.222 -0.046 25280 2020 1 8 . 1 1 581 581 ILE C C 581 175.785 175.785 175.280 0.505 25280 2021 1 8 . 1 1 581 581 ILE CA C 581 61.159 61.159 60.816 0.343 25280 2022 1 8 . 1 1 581 581 ILE CB C 581 39.139 39.139 39.668 -0.529 25280 2023 1 8 . 1 1 581 581 ILE H H 581 7.925 7.925 7.609 0.316 25280 2024 1 8 . 1 1 582 582 ASP N N 582 123.440 123.440 128.984 -5.544 25280 2025 1 8 . 1 1 582 582 ASP HA H 582 4.565 4.565 4.782 -0.217 25280 2026 1 8 . 1 1 582 582 ASP C C 582 175.891 175.891 175.676 0.215 25280 2027 1 8 . 1 1 582 582 ASP CA C 582 54.394 54.394 53.955 0.439 25280 2028 1 8 . 1 1 582 582 ASP CB C 582 41.070 41.070 41.340 -0.270 25280 2029 1 8 . 1 1 582 582 ASP H H 582 8.428 8.428 8.501 -0.073 25280 2030 1 8 . 1 1 583 583 MET N N 583 120.813 120.813 123.899 -3.086 25280 2031 1 8 . 1 1 583 583 MET HA H 583 4.458 4.458 4.613 -0.155 25280 2032 1 8 . 1 1 583 583 MET C C 583 175.962 175.962 175.699 0.263 25280 2033 1 8 . 1 1 583 583 MET CA C 583 55.401 55.401 54.732 0.669 25280 2034 1 8 . 1 1 583 583 MET CB C 583 32.942 32.942 34.043 -1.101 25280 2035 1 8 . 1 1 583 583 MET H H 583 8.207 8.207 8.343 -0.136 25280 2036 1 8 . 1 1 584 584 ILE N N 584 122.088 122.088 125.347 -3.259 25280 2037 1 8 . 1 1 584 584 ILE HA H 584 4.113 4.113 4.194 -0.081 25280 2038 1 8 . 1 1 584 584 ILE C C 584 175.758 175.758 175.333 0.425 25280 2039 1 8 . 1 1 584 584 ILE CA C 584 61.193 61.193 60.867 0.326 25280 2040 1 8 . 1 1 584 584 ILE CB C 584 38.815 38.815 37.176 1.639 25280 2041 1 8 . 1 1 584 584 ILE H H 584 8.090 8.090 8.306 -0.216 25280 2042 1 8 . 1 1 585 585 ASP N N 585 124.211 124.211 126.891 -2.680 25280 2043 1 8 . 1 1 585 585 ASP HA H 585 4.603 4.603 4.871 -0.268 25280 2044 1 8 . 1 1 585 585 ASP C C 585 175.880 175.880 175.630 0.250 25280 2045 1 8 . 1 1 585 585 ASP CA C 585 54.213 54.213 53.841 0.372 25280 2046 1 8 . 1 1 585 585 ASP CB C 585 41.175 41.175 43.303 -2.128 25280 2047 1 8 . 1 1 585 585 ASP H H 585 8.395 8.395 8.690 -0.295 25280 2048 1 8 . 1 1 586 586 ASN N N 586 119.932 119.932 121.060 -1.128 25280 2049 1 8 . 1 1 586 586 ASN HA H 586 4.681 4.681 4.574 0.107 25280 2050 1 8 . 1 1 586 586 ASN C C 586 175.085 175.085 175.530 -0.445 25280 2051 1 8 . 1 1 586 586 ASN CA C 586 53.488 53.488 53.682 -0.194 25280 2052 1 8 . 1 1 586 586 ASN CB C 586 39.212 39.212 38.789 0.423 25280 2053 1 8 . 1 1 586 586 ASN H H 586 8.362 8.362 8.714 -0.352 25280 2054 1 8 . 1 1 587 587 ASP N N 587 120.991 120.991 119.931 1.060 25280 2055 1 8 . 1 1 587 587 ASP HA H 587 4.584 4.584 4.418 0.166 25280 2056 1 8 . 1 1 587 587 ASP C C 587 176.594 176.594 177.830 -1.236 25280 2057 1 8 . 1 1 587 587 ASP CA C 587 54.770 54.770 56.316 -1.546 25280 2058 1 8 . 1 1 587 587 ASP CB C 587 41.113 41.113 40.349 0.764 25280 2059 1 8 . 1 1 587 587 ASP H H 587 8.417 8.417 8.358 0.059 25280 2060 1 8 . 1 1 588 588 GLN N N 588 120.536 120.536 118.691 1.845 25280 2061 1 8 . 1 1 588 588 GLN HA H 588 4.276 4.276 4.161 0.115 25280 2062 1 8 . 1 1 588 588 GLN C C 588 176.825 176.825 177.618 -0.793 25280 2063 1 8 . 1 1 588 588 GLN CA C 588 56.197 56.197 57.247 -1.050 25280 2064 1 8 . 1 1 588 588 GLN CB C 588 29.189 29.189 29.173 0.016 25280 2065 1 8 . 1 1 588 588 GLN H H 588 8.351 8.351 7.729 0.622 25280 2066 1 8 . 1 1 589 589 GLY N N 589 109.481 109.481 106.235 3.246 25280 2067 1 8 . 1 1 589 589 GLY C C 589 174.353 174.353 174.132 0.221 25280 2068 1 8 . 1 1 589 589 GLY CA C 589 45.495 45.495 45.176 0.319 25280 2069 1 8 . 1 1 589 589 GLY H H 589 8.440 8.440 8.566 -0.126 25280 2070 1 8 . 1 1 590 590 SER N N 590 115.518 115.518 116.214 -0.696 25280 2071 1 8 . 1 1 590 590 SER HA H 590 4.493 4.493 4.465 0.028 25280 2072 1 8 . 1 1 590 590 SER C C 590 174.643 174.643 174.953 -0.310 25280 2073 1 8 . 1 1 590 590 SER CA C 590 58.215 58.215 57.814 0.401 25280 2074 1 8 . 1 1 590 590 SER CB C 590 63.883 63.883 63.373 0.509 25280 2075 1 8 . 1 1 590 590 SER H H 590 8.187 8.187 8.000 0.187 25280 2076 1 8 . 1 1 591 591 SER N N 591 117.781 117.781 122.886 -5.105 25280 2077 1 8 . 1 1 591 591 SER HA H 591 4.518 4.518 4.594 -0.076 25280 2078 1 8 . 1 1 591 591 SER C C 591 174.128 174.128 173.955 0.173 25280 2079 1 8 . 1 1 591 591 SER CA C 591 58.151 58.151 58.145 0.006 25280 2080 1 8 . 1 1 591 591 SER CB C 591 63.838 63.838 64.056 -0.218 25280 2081 1 8 . 1 1 591 591 SER H H 591 8.362 8.362 8.585 -0.223 25280 2082 1 8 . 1 1 592 592 SER N N 592 118.898 118.898 119.989 -1.091 25280 2083 1 8 . 1 1 592 592 SER CA C 592 56.483 56.483 56.943 -0.460 25280 2084 1 8 . 1 1 592 592 SER CB C 592 63.507 63.507 62.949 0.558 25280 2085 1 8 . 1 1 592 592 SER H H 592 8.336 8.336 8.401 -0.065 25280 2086 1 8 . 1 1 593 593 PRO HA H 593 4.459 4.459 4.390 0.069 25280 2087 1 8 . 1 1 593 593 PRO C C 593 177.037 177.037 176.079 0.958 25280 2088 1 8 . 1 1 593 593 PRO CA C 593 63.337 63.337 63.422 -0.085 25280 2089 1 8 . 1 1 593 593 PRO CB C 593 32.146 32.146 32.429 -0.283 25280 2090 1 8 . 1 1 594 594 SER N N 594 116.126 116.126 117.531 -1.405 25280 2091 1 8 . 1 1 594 594 SER HA H 594 4.405 4.405 4.424 -0.019 25280 2092 1 8 . 1 1 594 594 SER C C 594 174.478 174.478 175.690 -1.212 25280 2093 1 8 . 1 1 594 594 SER CA C 594 58.283 58.283 59.415 -1.132 25280 2094 1 8 . 1 1 594 594 SER CB C 594 63.781 63.781 63.689 0.092 25280 2095 1 8 . 1 1 594 594 SER H H 594 8.436 8.436 8.238 0.198 25280 2096 1 8 . 1 1 595 595 ASN N N 595 120.920 120.920 121.595 -0.675 25280 2097 1 8 . 1 1 595 595 ASN HA H 595 4.711 4.711 4.553 0.158 25280 2098 1 8 . 1 1 595 595 ASN C C 595 175.089 175.089 176.841 -1.752 25280 2099 1 8 . 1 1 595 595 ASN CA C 595 53.483 53.483 55.572 -2.090 25280 2100 1 8 . 1 1 595 595 ASN CB C 595 39.060 39.060 38.150 0.910 25280 2101 1 8 . 1 1 595 595 ASN H H 595 8.460 8.460 8.796 -0.336 25280 2102 1 8 . 1 1 596 596 ASP N N 596 121.047 121.047 118.343 2.704 25280 2103 1 8 . 1 1 596 596 ASP HA H 596 4.562 4.562 4.523 0.039 25280 2104 1 8 . 1 1 596 596 ASP C C 596 176.666 176.666 178.319 -1.653 25280 2105 1 8 . 1 1 596 596 ASP CA C 596 54.776 54.776 56.236 -1.460 25280 2106 1 8 . 1 1 596 596 ASP CB C 596 41.079 41.079 40.018 1.061 25280 2107 1 8 . 1 1 596 596 ASP H H 596 8.304 8.304 8.822 -0.518 25280 2108 1 8 . 1 1 597 597 GLU N N 597 121.766 121.766 120.358 1.408 25280 2109 1 8 . 1 1 597 597 GLU HA H 597 4.108 4.108 4.033 0.075 25280 2110 1 8 . 1 1 597 597 GLU C C 597 177.474 177.474 177.916 -0.442 25280 2111 1 8 . 1 1 597 597 GLU CA C 597 57.983 57.983 59.428 -1.445 25280 2112 1 8 . 1 1 597 597 GLU CB C 597 29.907 29.907 29.623 0.284 25280 2113 1 8 . 1 1 597 597 GLU H H 597 8.386 8.386 7.606 0.780 25280 2114 1 8 . 1 1 598 598 ALA N N 598 123.873 123.873 121.132 2.741 25280 2115 1 8 . 1 1 598 598 ALA C C 598 178.598 178.598 178.683 -0.085 25280 2116 1 8 . 1 1 598 598 ALA CA C 598 53.540 53.540 54.358 -0.818 25280 2117 1 8 . 1 1 598 598 ALA CB C 598 18.651 18.651 18.404 0.247 25280 2118 1 8 . 1 1 598 598 ALA H H 598 8.238 8.238 7.693 0.545 25280 2119 1 8 . 1 1 599 599 ALA N N 599 122.041 122.041 120.213 1.828 25280 2120 1 8 . 1 1 599 599 ALA HA H 599 4.225 4.225 4.110 0.115 25280 2121 1 8 . 1 1 599 599 ALA C C 599 178.877 178.877 179.879 -1.002 25280 2122 1 8 . 1 1 599 599 ALA CA C 599 53.382 53.382 54.362 -0.980 25280 2123 1 8 . 1 1 599 599 ALA CB C 599 18.779 18.779 18.770 0.009 25280 2124 1 8 . 1 1 599 599 ALA H H 599 8.017 8.017 7.434 0.583 25280 2125 1 8 . 1 1 600 600 MET N N 600 118.403 118.403 119.347 -0.944 25280 2126 1 8 . 1 1 600 600 MET HA H 600 4.386 4.386 4.176 0.210 25280 2127 1 8 . 1 1 600 600 MET C C 600 176.628 176.628 177.864 -1.236 25280 2128 1 8 . 1 1 600 600 MET CA C 600 56.058 56.058 57.193 -1.135 25280 2129 1 8 . 1 1 600 600 MET CB C 600 32.504 32.504 32.380 0.124 25280 2130 1 8 . 1 1 600 600 MET H H 600 8.096 8.096 8.103 -0.007 25280 2131 1 8 . 1 1 601 601 ALA N N 601 123.911 123.911 120.772 3.139 25280 2132 1 8 . 1 1 601 601 ALA HA H 601 4.228 4.228 4.139 0.089 25280 2133 1 8 . 1 1 601 601 ALA C C 601 178.582 178.582 178.552 0.030 25280 2134 1 8 . 1 1 601 601 ALA CA C 601 53.415 53.415 54.172 -0.757 25280 2135 1 8 . 1 1 601 601 ALA CB C 601 18.732 18.732 17.609 1.123 25280 2136 1 8 . 1 1 601 601 ALA H H 601 8.049 8.049 7.542 0.507 25280 2137 1 8 . 1 1 602 602 VAL N N 602 119.320 119.320 118.694 0.626 25280 2138 1 8 . 1 1 602 602 VAL HA H 602 3.938 3.938 3.791 0.147 25280 2139 1 8 . 1 1 602 602 VAL C C 602 176.902 176.902 177.588 -0.686 25280 2140 1 8 . 1 1 602 602 VAL CA C 602 63.561 63.561 64.646 -1.085 25280 2141 1 8 . 1 1 602 602 VAL CB C 602 32.473 32.473 31.582 0.891 25280 2142 1 8 . 1 1 602 602 VAL H H 602 7.844 7.844 7.289 0.555 25280 2143 1 8 . 1 1 603 603 ILE N N 603 123.836 123.836 120.685 3.151 25280 2144 1 8 . 1 1 603 603 ILE HA H 603 3.994 3.994 3.664 0.330 25280 2145 1 8 . 1 1 603 603 ILE C C 603 177.039 177.039 177.512 -0.473 25280 2146 1 8 . 1 1 603 603 ILE CA C 603 62.259 62.259 64.704 -2.445 25280 2147 1 8 . 1 1 603 603 ILE CB C 603 38.292 38.292 37.882 0.410 25280 2148 1 8 . 1 1 603 603 ILE H H 603 8.003 8.003 7.611 0.392 25280 2149 1 8 . 1 1 604 604 MET N N 604 122.698 122.698 117.162 5.536 25280 2150 1 8 . 1 1 604 604 MET HA H 604 4.412 4.412 4.207 0.205 25280 2151 1 8 . 1 1 604 604 MET C C 604 176.884 176.884 176.006 0.878 25280 2152 1 8 . 1 1 604 604 MET CA C 604 56.136 56.136 57.513 -1.377 25280 2153 1 8 . 1 1 604 604 MET CB C 604 32.466 32.466 32.801 -0.335 25280 2154 1 8 . 1 1 604 604 MET H H 604 8.414 8.414 7.485 0.929 25280 2155 1 8 . 1 1 605 605 SER N N 605 116.666 116.666 113.114 3.552 25280 2156 1 8 . 1 1 605 605 SER HA H 605 4.376 4.376 4.642 -0.266 25280 2157 1 8 . 1 1 605 605 SER C C 605 174.920 174.920 173.414 1.506 25280 2158 1 8 . 1 1 605 605 SER CA C 605 59.160 59.160 58.489 0.671 25280 2159 1 8 . 1 1 605 605 SER CB C 605 63.539 63.539 64.185 -0.646 25280 2160 1 8 . 1 1 605 605 SER H H 605 8.175 8.175 7.477 0.698 25280 2161 1 8 . 1 1 606 606 LEU N N 606 123.877 123.877 123.062 0.815 25280 2162 1 8 . 1 1 606 606 LEU HA H 606 4.329 4.329 4.474 -0.145 25280 2163 1 8 . 1 1 606 606 LEU C C 606 177.666 177.666 176.381 1.285 25280 2164 1 8 . 1 1 606 606 LEU CA C 606 55.735 55.735 54.418 1.317 25280 2165 1 8 . 1 1 606 606 LEU CB C 606 42.208 42.208 42.937 -0.729 25280 2166 1 8 . 1 1 606 606 LEU H H 606 8.098 8.098 8.370 -0.272 25280 2167 1 8 . 1 1 607 607 LEU N N 607 121.714 121.714 121.278 0.436 25280 2168 1 8 . 1 1 607 607 LEU HA H 607 4.311 4.311 4.344 -0.033 25280 2169 1 8 . 1 1 607 607 LEU C C 607 177.811 177.811 176.602 1.209 25280 2170 1 8 . 1 1 607 607 LEU CA C 607 55.664 55.664 54.934 0.730 25280 2171 1 8 . 1 1 607 607 LEU CB C 607 42.312 42.312 42.596 -0.284 25280 2172 1 8 . 1 1 607 607 LEU H H 607 8.015 8.015 7.497 0.518 25280 2173 1 8 . 1 1 608 608 GLU N N 608 121.023 121.023 126.971 -5.948 25280 2174 1 8 . 1 1 608 608 GLU HA H 608 4.204 4.204 4.459 -0.255 25280 2175 1 8 . 1 1 608 608 GLU C C 608 176.604 176.604 175.950 0.654 25280 2176 1 8 . 1 1 608 608 GLU CA C 608 56.781 56.781 55.743 1.038 25280 2177 1 8 . 1 1 608 608 GLU CB C 608 30.050 30.050 29.310 0.740 25280 2178 1 8 . 1 1 608 608 GLU H H 608 8.195 8.195 8.873 -0.678 25280 2179 1 8 . 1 1 609 609 ALA N N 609 124.285 124.285 127.480 -3.195 25280 2180 1 8 . 1 1 609 609 ALA HA H 609 4.223 4.223 3.990 0.233 25280 2181 1 8 . 1 1 609 609 ALA C C 609 177.700 177.700 178.703 -1.003 25280 2182 1 8 . 1 1 609 609 ALA CA C 609 52.977 52.977 55.114 -2.137 25280 2183 1 8 . 1 1 609 609 ALA CB C 609 19.185 19.185 19.068 0.117 25280 2184 1 8 . 1 1 609 609 ALA H H 609 8.156 8.156 8.156 0.000 25280 2185 1 8 . 1 1 610 610 ASP N N 610 119.248 119.248 117.727 1.521 25280 2186 1 8 . 1 1 610 610 ASP HA H 610 4.549 4.549 4.394 0.155 25280 2187 1 8 . 1 1 610 610 ASP C C 610 176.353 176.353 177.088 -0.735 25280 2188 1 8 . 1 1 610 610 ASP CA C 610 54.344 54.344 55.517 -1.173 25280 2189 1 8 . 1 1 610 610 ASP CB C 610 41.237 41.237 39.448 1.789 25280 2190 1 8 . 1 1 610 610 ASP H H 610 8.215 8.215 8.467 -0.252 25280 2191 1 8 . 1 1 611 611 ALA N N 611 124.813 124.813 121.244 3.569 25280 2192 1 8 . 1 1 611 611 ALA C C 611 178.431 178.431 178.805 -0.374 25280 2193 1 8 . 1 1 611 611 ALA CA C 611 53.032 53.032 53.148 -0.116 25280 2194 1 8 . 1 1 611 611 ALA CB C 611 19.186 19.186 19.044 0.142 25280 2195 1 8 . 1 1 611 611 ALA H H 611 8.211 8.211 7.382 0.829 25280 2196 1 8 . 1 1 612 612 GLY N N 612 107.402 107.402 105.815 1.587 25280 2197 1 8 . 1 1 612 612 GLY C C 612 174.554 174.554 174.581 -0.027 25280 2198 1 8 . 1 1 612 612 GLY CA C 612 45.512 45.512 45.628 -0.116 25280 2199 1 8 . 1 1 612 612 GLY H H 612 8.417 8.417 7.959 0.458 25280 2200 1 8 . 1 1 613 613 LEU N N 613 121.201 121.201 120.478 0.723 25280 2201 1 8 . 1 1 613 613 LEU HA H 613 4.294 4.294 4.247 0.047 25280 2202 1 8 . 1 1 613 613 LEU C C 613 178.034 178.034 177.395 0.639 25280 2203 1 8 . 1 1 613 613 LEU CA C 613 55.410 55.410 54.849 0.561 25280 2204 1 8 . 1 1 613 613 LEU CB C 613 42.337 42.337 42.079 0.258 25280 2205 1 8 . 1 1 613 613 LEU H H 613 8.032 8.032 7.919 0.113 25280 2206 1 8 . 1 1 614 614 GLY N N 614 109.395 109.395 107.849 1.546 25280 2207 1 8 . 1 1 614 614 GLY C C 614 174.274 174.274 174.865 -0.591 25280 2208 1 8 . 1 1 614 614 GLY CA C 614 45.088 45.088 44.715 0.373 25280 2209 1 8 . 1 1 614 614 GLY H H 614 8.438 8.438 8.595 -0.157 25280 2210 1 8 . 1 1 615 615 GLY N N 615 108.795 108.795 108.935 -0.140 25280 2211 1 8 . 1 1 615 615 GLY CA C 615 44.453 44.453 43.681 0.772 25280 2212 1 8 . 1 1 615 615 GLY H H 615 8.048 8.048 7.832 0.216 25280 2213 1 8 . 1 1 616 616 PRO HA H 616 4.416 4.416 4.305 0.111 25280 2214 1 8 . 1 1 616 616 PRO C C 616 177.062 177.062 176.372 0.690 25280 2215 1 8 . 1 1 616 616 PRO CA C 616 63.037 63.037 63.449 -0.412 25280 2216 1 8 . 1 1 616 616 PRO CB C 616 32.164 32.164 31.691 0.473 25280 2217 1 8 . 1 1 617 617 VAL N N 617 119.919 119.919 120.781 -0.862 25280 2218 1 8 . 1 1 617 617 VAL HA H 617 4.041 4.041 3.962 0.079 25280 2219 1 8 . 1 1 617 617 VAL C C 617 175.491 175.491 175.909 -0.418 25280 2220 1 8 . 1 1 617 617 VAL CA C 617 62.085 62.085 62.374 -0.289 25280 2221 1 8 . 1 1 617 617 VAL CB C 617 32.975 32.975 32.060 0.915 25280 2222 1 8 . 1 1 617 617 VAL H H 617 8.207 8.207 7.530 0.677 25280 2223 1 8 . 1 1 618 618 ASP N N 618 123.606 123.606 126.172 -2.566 25280 2224 1 8 . 1 1 618 618 ASP HA H 618 4.546 4.546 4.347 0.199 25280 2225 1 8 . 1 1 618 618 ASP C C 618 175.875 175.875 176.033 -0.158 25280 2226 1 8 . 1 1 618 618 ASP CA C 618 53.977 53.977 53.425 0.552 25280 2227 1 8 . 1 1 618 618 ASP CB C 618 41.472 41.472 41.677 -0.205 25280 2228 1 8 . 1 1 618 618 ASP H H 618 8.264 8.264 8.193 0.071 25280 2229 1 8 . 1 1 619 619 PHE N N 619 121.642 121.642 119.895 1.747 25280 2230 1 8 . 1 1 619 619 PHE HA H 619 4.578 4.578 4.386 0.192 25280 2231 1 8 . 1 1 619 619 PHE C C 619 175.905 175.905 175.740 0.165 25280 2232 1 8 . 1 1 619 619 PHE CA C 619 57.977 57.977 58.020 -0.042 25280 2233 1 8 . 1 1 619 619 PHE CB C 619 39.363 39.363 37.476 1.887 25280 2234 1 8 . 1 1 619 619 PHE H H 619 8.263 8.263 8.403 -0.140 25280 2235 1 8 . 1 1 620 620 SER N N 620 117.019 117.019 118.317 -1.298 25280 2236 1 8 . 1 1 620 620 SER HA H 620 4.325 4.325 4.387 -0.062 25280 2237 1 8 . 1 1 620 620 SER C C 620 173.926 173.926 174.872 -0.946 25280 2238 1 8 . 1 1 620 620 SER CA C 620 58.935 58.935 58.447 0.488 25280 2239 1 8 . 1 1 620 620 SER CB C 620 63.804 63.804 64.129 -0.325 25280 2240 1 8 . 1 1 620 620 SER H H 620 8.274 8.274 7.978 0.296 25280 2241 1 8 . 1 1 621 621 ASP N N 621 121.939 121.939 125.106 -3.167 25280 2242 1 8 . 1 1 621 621 ASP HA H 621 4.596 4.596 4.741 -0.145 25280 2243 1 8 . 1 1 621 621 ASP C C 621 175.540 175.540 175.503 0.037 25280 2244 1 8 . 1 1 621 621 ASP CA C 621 54.099 54.099 54.449 -0.350 25280 2245 1 8 . 1 1 621 621 ASP CB C 621 41.098 41.098 41.467 -0.368 25280 2246 1 8 . 1 1 621 621 ASP H H 621 8.218 8.218 8.348 -0.130 25280 2247 1 8 . 1 1 622 622 LEU N N 622 122.946 122.946 119.130 3.816 25280 2248 1 8 . 1 1 622 622 LEU HA H 622 4.513 4.513 4.872 -0.359 25280 2249 1 8 . 1 1 622 622 LEU CA C 622 52.999 52.999 53.162 -0.163 25280 2250 1 8 . 1 1 622 622 LEU CB C 622 41.847 41.847 42.077 -0.230 25280 2251 1 8 . 1 1 622 622 LEU H H 622 7.900 7.900 8.118 -0.218 25280 2252 1 8 . 1 1 623 623 PRO HA H 623 4.335 4.335 4.579 -0.244 25280 2253 1 8 . 1 1 623 623 PRO C C 623 176.233 176.233 175.438 0.795 25280 2254 1 8 . 1 1 623 623 PRO CA C 623 62.969 62.969 63.712 -0.743 25280 2255 1 8 . 1 1 623 623 PRO CB C 623 31.645 31.645 32.176 -0.531 25280 2256 1 8 . 1 1 624 624 TRP N N 624 122.332 122.332 124.791 -2.459 25280 2257 1 8 . 1 1 624 624 TRP HA H 624 4.903 4.903 4.722 0.181 25280 2258 1 8 . 1 1 624 624 TRP CA C 624 54.676 54.676 55.915 -1.239 25280 2259 1 8 . 1 1 624 624 TRP CB C 624 29.101 29.101 29.783 -0.682 25280 2260 1 8 . 1 1 624 624 TRP H H 624 7.967 7.967 8.470 -0.503 25280 2261 1 8 . 1 1 625 625 PRO HA H 625 4.400 4.400 4.598 -0.198 25280 2262 1 8 . 1 1 625 625 PRO C C 625 175.842 175.842 175.182 0.660 25280 2263 1 8 . 1 1 625 625 PRO CA C 625 63.221 63.221 63.090 0.131 25280 2264 1 8 . 1 1 625 625 PRO CB C 625 31.812 31.812 30.240 1.572 25280 2265 1 9 . 1 1 574 574 MET N N 574 117.950 117.950 121.380 -3.430 25280 2266 1 9 . 1 1 574 574 MET HA H 574 4.485 4.485 4.639 -0.154 25280 2267 1 9 . 1 1 574 574 MET C C 574 175.669 175.669 175.455 0.214 25280 2268 1 9 . 1 1 574 574 MET CA C 574 54.944 54.944 54.837 0.107 25280 2269 1 9 . 1 1 574 574 MET CB C 574 32.476 32.476 33.216 -0.740 25280 2270 1 9 . 1 1 574 574 MET H H 574 8.461 8.461 8.264 0.197 25280 2271 1 9 . 1 1 575 575 ASP N N 575 122.898 122.898 121.996 0.902 25280 2272 1 9 . 1 1 575 575 ASP CA C 575 52.807 52.807 53.238 -0.431 25280 2273 1 9 . 1 1 575 575 ASP CB C 575 40.926 40.926 41.039 -0.113 25280 2274 1 9 . 1 1 575 575 ASP H H 575 8.101 8.101 8.606 -0.505 25280 2275 1 9 . 1 1 576 576 PRO HA H 576 4.344 4.344 4.389 -0.045 25280 2276 1 9 . 1 1 576 576 PRO C C 576 177.044 177.044 176.252 0.792 25280 2277 1 9 . 1 1 576 576 PRO CA C 576 63.623 63.623 63.630 -0.007 25280 2278 1 9 . 1 1 576 576 PRO CB C 576 32.082 32.082 32.193 -0.111 25280 2279 1 9 . 1 1 577 577 GLU N N 577 119.542 119.542 117.753 1.789 25280 2280 1 9 . 1 1 577 577 GLU HA H 577 4.122 4.122 4.006 0.116 25280 2281 1 9 . 1 1 577 577 GLU C C 577 176.229 176.229 176.393 -0.164 25280 2282 1 9 . 1 1 577 577 GLU CA C 577 56.941 56.941 57.512 -0.571 25280 2283 1 9 . 1 1 577 577 GLU CB C 577 30.073 30.073 29.576 0.497 25280 2284 1 9 . 1 1 577 577 GLU H H 577 8.524 8.524 8.270 0.254 25280 2285 1 9 . 1 1 578 578 PHE N N 578 120.435 120.435 116.854 3.581 25280 2286 1 9 . 1 1 578 578 PHE HA H 578 4.605 4.605 4.689 -0.084 25280 2287 1 9 . 1 1 578 578 PHE C C 578 175.385 175.385 175.212 0.173 25280 2288 1 9 . 1 1 578 578 PHE CA C 578 57.624 57.624 56.831 0.793 25280 2289 1 9 . 1 1 578 578 PHE CB C 578 39.740 39.740 41.557 -1.817 25280 2290 1 9 . 1 1 578 578 PHE H H 578 8.076 8.076 7.415 0.661 25280 2291 1 9 . 1 1 579 579 ILE N N 579 123.348 123.348 124.582 -1.234 25280 2292 1 9 . 1 1 579 579 ILE HA H 579 4.089 4.089 4.154 -0.065 25280 2293 1 9 . 1 1 579 579 ILE C C 579 176.118 176.118 176.605 -0.487 25280 2294 1 9 . 1 1 579 579 ILE CA C 579 61.181 61.181 61.257 -0.076 25280 2295 1 9 . 1 1 579 579 ILE CB C 579 38.751 38.751 37.276 1.475 25280 2296 1 9 . 1 1 579 579 ILE H H 579 7.917 7.917 8.627 -0.710 25280 2297 1 9 . 1 1 580 580 GLY N N 580 112.431 112.431 115.127 -2.696 25280 2298 1 9 . 1 1 580 580 GLY C C 580 173.918 173.918 174.150 -0.232 25280 2299 1 9 . 1 1 580 580 GLY CA C 580 45.395 45.395 44.376 1.019 25280 2300 1 9 . 1 1 580 580 GLY H H 580 8.051 8.051 8.015 0.036 25280 2301 1 9 . 1 1 581 581 ILE N N 581 119.415 119.415 122.163 -2.748 25280 2302 1 9 . 1 1 581 581 ILE HA H 581 4.176 4.176 4.119 0.057 25280 2303 1 9 . 1 1 581 581 ILE C C 581 175.785 175.785 175.518 0.267 25280 2304 1 9 . 1 1 581 581 ILE CA C 581 61.159 61.159 61.034 0.125 25280 2305 1 9 . 1 1 581 581 ILE CB C 581 39.139 39.139 37.201 1.938 25280 2306 1 9 . 1 1 581 581 ILE H H 581 7.925 7.925 8.494 -0.569 25280 2307 1 9 . 1 1 582 582 ASP N N 582 123.440 123.440 128.135 -4.695 25280 2308 1 9 . 1 1 582 582 ASP HA H 582 4.565 4.565 4.627 -0.062 25280 2309 1 9 . 1 1 582 582 ASP C C 582 175.891 175.891 175.793 0.098 25280 2310 1 9 . 1 1 582 582 ASP CA C 582 54.394 54.394 54.355 0.039 25280 2311 1 9 . 1 1 582 582 ASP CB C 582 41.070 41.070 41.611 -0.541 25280 2312 1 9 . 1 1 582 582 ASP H H 582 8.428 8.428 8.404 0.024 25280 2313 1 9 . 1 1 583 583 MET N N 583 120.813 120.813 121.595 -0.782 25280 2314 1 9 . 1 1 583 583 MET HA H 583 4.458 4.458 4.476 -0.018 25280 2315 1 9 . 1 1 583 583 MET C C 583 175.962 175.962 176.385 -0.423 25280 2316 1 9 . 1 1 583 583 MET CA C 583 55.401 55.401 55.625 -0.224 25280 2317 1 9 . 1 1 583 583 MET CB C 583 32.942 32.942 32.819 0.124 25280 2318 1 9 . 1 1 583 583 MET H H 583 8.207 8.207 8.294 -0.087 25280 2319 1 9 . 1 1 584 584 ILE N N 584 122.088 122.088 120.336 1.752 25280 2320 1 9 . 1 1 584 584 ILE HA H 584 4.113 4.113 4.734 -0.621 25280 2321 1 9 . 1 1 584 584 ILE C C 584 175.758 175.758 174.623 1.135 25280 2322 1 9 . 1 1 584 584 ILE CA C 584 61.193 61.193 60.150 1.043 25280 2323 1 9 . 1 1 584 584 ILE CB C 584 38.815 38.815 41.260 -2.445 25280 2324 1 9 . 1 1 584 584 ILE H H 584 8.090 8.090 8.266 -0.176 25280 2325 1 9 . 1 1 585 585 ASP N N 585 124.211 124.211 121.604 2.607 25280 2326 1 9 . 1 1 585 585 ASP HA H 585 4.603 4.603 4.606 -0.003 25280 2327 1 9 . 1 1 585 585 ASP C C 585 175.880 175.880 175.259 0.621 25280 2328 1 9 . 1 1 585 585 ASP CA C 585 54.213 54.213 53.291 0.922 25280 2329 1 9 . 1 1 585 585 ASP CB C 585 41.175 41.175 40.302 0.873 25280 2330 1 9 . 1 1 585 585 ASP H H 585 8.395 8.395 8.504 -0.109 25280 2331 1 9 . 1 1 586 586 ASN N N 586 119.932 119.932 118.783 1.149 25280 2332 1 9 . 1 1 586 586 ASN HA H 586 4.681 4.681 4.635 0.046 25280 2333 1 9 . 1 1 586 586 ASN C C 586 175.085 175.085 175.866 -0.781 25280 2334 1 9 . 1 1 586 586 ASN CA C 586 53.488 53.488 53.364 0.124 25280 2335 1 9 . 1 1 586 586 ASN CB C 586 39.212 39.212 38.564 0.648 25280 2336 1 9 . 1 1 586 586 ASN H H 586 8.362 8.362 8.491 -0.129 25280 2337 1 9 . 1 1 587 587 ASP N N 587 120.991 120.991 119.849 1.142 25280 2338 1 9 . 1 1 587 587 ASP HA H 587 4.584 4.584 4.406 0.178 25280 2339 1 9 . 1 1 587 587 ASP C C 587 176.594 176.594 177.630 -1.036 25280 2340 1 9 . 1 1 587 587 ASP CA C 587 54.770 54.770 56.283 -1.513 25280 2341 1 9 . 1 1 587 587 ASP CB C 587 41.113 41.113 40.296 0.817 25280 2342 1 9 . 1 1 587 587 ASP H H 587 8.417 8.417 8.468 -0.051 25280 2343 1 9 . 1 1 588 588 GLN N N 588 120.536 120.536 118.814 1.722 25280 2344 1 9 . 1 1 588 588 GLN HA H 588 4.276 4.276 4.183 0.093 25280 2345 1 9 . 1 1 588 588 GLN C C 588 176.825 176.825 176.794 0.031 25280 2346 1 9 . 1 1 588 588 GLN CA C 588 56.197 56.197 56.687 -0.490 25280 2347 1 9 . 1 1 588 588 GLN CB C 588 29.189 29.189 29.214 -0.025 25280 2348 1 9 . 1 1 588 588 GLN H H 588 8.351 8.351 7.959 0.392 25280 2349 1 9 . 1 1 589 589 GLY N N 589 109.481 109.481 107.128 2.353 25280 2350 1 9 . 1 1 589 589 GLY C C 589 174.353 174.353 174.466 -0.113 25280 2351 1 9 . 1 1 589 589 GLY CA C 589 45.495 45.495 44.843 0.652 25280 2352 1 9 . 1 1 589 589 GLY H H 589 8.440 8.440 7.756 0.684 25280 2353 1 9 . 1 1 590 590 SER N N 590 115.518 115.518 115.804 -0.286 25280 2354 1 9 . 1 1 590 590 SER HA H 590 4.493 4.493 4.461 0.032 25280 2355 1 9 . 1 1 590 590 SER C C 590 174.643 174.643 173.980 0.663 25280 2356 1 9 . 1 1 590 590 SER CA C 590 58.215 58.215 58.990 -0.775 25280 2357 1 9 . 1 1 590 590 SER CB C 590 63.883 63.883 64.040 -0.157 25280 2358 1 9 . 1 1 590 590 SER H H 590 8.187 8.187 8.443 -0.256 25280 2359 1 9 . 1 1 591 591 SER N N 591 117.781 117.781 115.699 2.082 25280 2360 1 9 . 1 1 591 591 SER HA H 591 4.518 4.518 4.604 -0.086 25280 2361 1 9 . 1 1 591 591 SER C C 591 174.128 174.128 173.173 0.955 25280 2362 1 9 . 1 1 591 591 SER CA C 591 58.151 58.151 57.345 0.806 25280 2363 1 9 . 1 1 591 591 SER CB C 591 63.838 63.838 64.326 -0.488 25280 2364 1 9 . 1 1 591 591 SER H H 591 8.362 8.362 8.080 0.282 25280 2365 1 9 . 1 1 592 592 SER N N 592 118.898 118.898 119.323 -0.425 25280 2366 1 9 . 1 1 592 592 SER CA C 592 56.483 56.483 57.794 -1.311 25280 2367 1 9 . 1 1 592 592 SER CB C 592 63.507 63.507 62.758 0.749 25280 2368 1 9 . 1 1 592 592 SER H H 592 8.336 8.336 8.192 0.144 25280 2369 1 9 . 1 1 593 593 PRO HA H 593 4.459 4.459 4.565 -0.106 25280 2370 1 9 . 1 1 593 593 PRO C C 593 177.037 177.037 175.837 1.200 25280 2371 1 9 . 1 1 593 593 PRO CA C 593 63.337 63.337 63.274 0.063 25280 2372 1 9 . 1 1 593 593 PRO CB C 593 32.146 32.146 31.836 0.310 25280 2373 1 9 . 1 1 594 594 SER N N 594 116.126 116.126 118.809 -2.683 25280 2374 1 9 . 1 1 594 594 SER HA H 594 4.405 4.405 4.439 -0.034 25280 2375 1 9 . 1 1 594 594 SER C C 594 174.478 174.478 175.322 -0.844 25280 2376 1 9 . 1 1 594 594 SER CA C 594 58.283 58.283 59.233 -0.950 25280 2377 1 9 . 1 1 594 594 SER CB C 594 63.781 63.781 63.833 -0.052 25280 2378 1 9 . 1 1 594 594 SER H H 594 8.436 8.436 8.595 -0.159 25280 2379 1 9 . 1 1 595 595 ASN N N 595 120.920 120.920 120.754 0.166 25280 2380 1 9 . 1 1 595 595 ASN HA H 595 4.711 4.711 4.800 -0.089 25280 2381 1 9 . 1 1 595 595 ASN C C 595 175.089 175.089 175.710 -0.621 25280 2382 1 9 . 1 1 595 595 ASN CA C 595 53.483 53.483 52.610 0.873 25280 2383 1 9 . 1 1 595 595 ASN CB C 595 39.060 39.060 38.465 0.595 25280 2384 1 9 . 1 1 595 595 ASN H H 595 8.460 8.460 8.783 -0.323 25280 2385 1 9 . 1 1 596 596 ASP N N 596 121.047 121.047 118.618 2.429 25280 2386 1 9 . 1 1 596 596 ASP HA H 596 4.562 4.562 4.396 0.166 25280 2387 1 9 . 1 1 596 596 ASP C C 596 176.666 176.666 177.973 -1.307 25280 2388 1 9 . 1 1 596 596 ASP CA C 596 54.776 54.776 56.431 -1.655 25280 2389 1 9 . 1 1 596 596 ASP CB C 596 41.079 41.079 40.361 0.718 25280 2390 1 9 . 1 1 596 596 ASP H H 596 8.304 8.304 8.657 -0.353 25280 2391 1 9 . 1 1 597 597 GLU N N 597 121.766 121.766 119.893 1.873 25280 2392 1 9 . 1 1 597 597 GLU HA H 597 4.108 4.108 4.113 -0.005 25280 2393 1 9 . 1 1 597 597 GLU C C 597 177.474 177.474 177.816 -0.342 25280 2394 1 9 . 1 1 597 597 GLU CA C 597 57.983 57.983 58.859 -0.876 25280 2395 1 9 . 1 1 597 597 GLU CB C 597 29.907 29.907 29.453 0.455 25280 2396 1 9 . 1 1 597 597 GLU H H 597 8.386 8.386 7.779 0.607 25280 2397 1 9 . 1 1 598 598 ALA N N 598 123.873 123.873 121.236 2.637 25280 2398 1 9 . 1 1 598 598 ALA C C 598 178.598 178.598 179.966 -1.368 25280 2399 1 9 . 1 1 598 598 ALA CA C 598 53.540 53.540 54.555 -1.015 25280 2400 1 9 . 1 1 598 598 ALA CB C 598 18.651 18.651 17.969 0.682 25280 2401 1 9 . 1 1 598 598 ALA H H 598 8.238 8.238 7.490 0.748 25280 2402 1 9 . 1 1 599 599 ALA N N 599 122.041 122.041 121.978 0.063 25280 2403 1 9 . 1 1 599 599 ALA HA H 599 4.225 4.225 4.093 0.132 25280 2404 1 9 . 1 1 599 599 ALA C C 599 178.877 178.877 179.686 -0.809 25280 2405 1 9 . 1 1 599 599 ALA CA C 599 53.382 53.382 54.759 -1.377 25280 2406 1 9 . 1 1 599 599 ALA CB C 599 18.779 18.779 18.474 0.305 25280 2407 1 9 . 1 1 599 599 ALA H H 599 8.017 8.017 7.451 0.566 25280 2408 1 9 . 1 1 600 600 MET N N 600 118.403 118.403 115.267 3.136 25280 2409 1 9 . 1 1 600 600 MET HA H 600 4.386 4.386 4.421 -0.035 25280 2410 1 9 . 1 1 600 600 MET C C 600 176.628 176.628 177.658 -1.030 25280 2411 1 9 . 1 1 600 600 MET CA C 600 56.058 56.058 55.014 1.044 25280 2412 1 9 . 1 1 600 600 MET CB C 600 32.504 32.504 31.128 1.376 25280 2413 1 9 . 1 1 600 600 MET H H 600 8.096 8.096 7.704 0.392 25280 2414 1 9 . 1 1 601 601 ALA N N 601 123.911 123.911 122.815 1.096 25280 2415 1 9 . 1 1 601 601 ALA HA H 601 4.228 4.228 4.188 0.040 25280 2416 1 9 . 1 1 601 601 ALA C C 601 178.582 178.582 179.066 -0.484 25280 2417 1 9 . 1 1 601 601 ALA CA C 601 53.415 53.415 54.242 -0.827 25280 2418 1 9 . 1 1 601 601 ALA CB C 601 18.732 18.732 18.212 0.520 25280 2419 1 9 . 1 1 601 601 ALA H H 601 8.049 8.049 7.626 0.423 25280 2420 1 9 . 1 1 602 602 VAL N N 602 119.320 119.320 115.935 3.385 25280 2421 1 9 . 1 1 602 602 VAL HA H 602 3.938 3.938 3.813 0.125 25280 2422 1 9 . 1 1 602 602 VAL C C 602 176.902 176.902 177.067 -0.165 25280 2423 1 9 . 1 1 602 602 VAL CA C 602 63.561 63.561 65.065 -1.504 25280 2424 1 9 . 1 1 602 602 VAL CB C 602 32.473 32.473 30.856 1.617 25280 2425 1 9 . 1 1 602 602 VAL H H 602 7.844 7.844 7.377 0.467 25280 2426 1 9 . 1 1 603 603 ILE N N 603 123.836 123.836 120.174 3.662 25280 2427 1 9 . 1 1 603 603 ILE HA H 603 3.994 3.994 3.778 0.216 25280 2428 1 9 . 1 1 603 603 ILE C C 603 177.039 177.039 177.524 -0.485 25280 2429 1 9 . 1 1 603 603 ILE CA C 603 62.259 62.259 63.703 -1.444 25280 2430 1 9 . 1 1 603 603 ILE CB C 603 38.292 38.292 37.554 0.738 25280 2431 1 9 . 1 1 603 603 ILE H H 603 8.003 8.003 7.407 0.596 25280 2432 1 9 . 1 1 604 604 MET N N 604 122.698 122.698 117.836 4.862 25280 2433 1 9 . 1 1 604 604 MET HA H 604 4.412 4.412 4.308 0.104 25280 2434 1 9 . 1 1 604 604 MET C C 604 176.884 176.884 176.315 0.569 25280 2435 1 9 . 1 1 604 604 MET CA C 604 56.136 56.136 56.111 0.025 25280 2436 1 9 . 1 1 604 604 MET CB C 604 32.466 32.466 32.301 0.165 25280 2437 1 9 . 1 1 604 604 MET H H 604 8.414 8.414 7.612 0.802 25280 2438 1 9 . 1 1 605 605 SER N N 605 116.666 116.666 113.728 2.938 25280 2439 1 9 . 1 1 605 605 SER HA H 605 4.376 4.376 4.618 -0.242 25280 2440 1 9 . 1 1 605 605 SER C C 605 174.920 174.920 173.616 1.304 25280 2441 1 9 . 1 1 605 605 SER CA C 605 59.160 59.160 58.265 0.895 25280 2442 1 9 . 1 1 605 605 SER CB C 605 63.539 63.539 63.255 0.284 25280 2443 1 9 . 1 1 605 605 SER H H 605 8.175 8.175 7.614 0.561 25280 2444 1 9 . 1 1 606 606 LEU N N 606 123.877 123.877 123.094 0.783 25280 2445 1 9 . 1 1 606 606 LEU HA H 606 4.329 4.329 4.622 -0.293 25280 2446 1 9 . 1 1 606 606 LEU C C 606 177.666 177.666 177.279 0.387 25280 2447 1 9 . 1 1 606 606 LEU CA C 606 55.735 55.735 54.343 1.392 25280 2448 1 9 . 1 1 606 606 LEU CB C 606 42.208 42.208 42.204 0.004 25280 2449 1 9 . 1 1 606 606 LEU H H 606 8.098 8.098 8.435 -0.337 25280 2450 1 9 . 1 1 607 607 LEU N N 607 121.714 121.714 118.644 3.070 25280 2451 1 9 . 1 1 607 607 LEU HA H 607 4.311 4.311 4.447 -0.136 25280 2452 1 9 . 1 1 607 607 LEU C C 607 177.811 177.811 177.036 0.775 25280 2453 1 9 . 1 1 607 607 LEU CA C 607 55.664 55.664 54.349 1.315 25280 2454 1 9 . 1 1 607 607 LEU CB C 607 42.312 42.312 42.570 -0.258 25280 2455 1 9 . 1 1 607 607 LEU H H 607 8.015 8.015 7.450 0.565 25280 2456 1 9 . 1 1 608 608 GLU N N 608 121.023 121.023 120.218 0.805 25280 2457 1 9 . 1 1 608 608 GLU HA H 608 4.204 4.204 4.265 -0.061 25280 2458 1 9 . 1 1 608 608 GLU C C 608 176.604 176.604 177.025 -0.421 25280 2459 1 9 . 1 1 608 608 GLU CA C 608 56.781 56.781 56.263 0.518 25280 2460 1 9 . 1 1 608 608 GLU CB C 608 30.050 30.050 29.098 0.952 25280 2461 1 9 . 1 1 608 608 GLU H H 608 8.195 8.195 8.779 -0.584 25280 2462 1 9 . 1 1 609 609 ALA N N 609 124.285 124.285 130.879 -6.594 25280 2463 1 9 . 1 1 609 609 ALA HA H 609 4.223 4.223 4.061 0.162 25280 2464 1 9 . 1 1 609 609 ALA C C 609 177.700 177.700 178.245 -0.545 25280 2465 1 9 . 1 1 609 609 ALA CA C 609 52.977 52.977 54.811 -1.834 25280 2466 1 9 . 1 1 609 609 ALA CB C 609 19.185 19.185 18.935 0.250 25280 2467 1 9 . 1 1 609 609 ALA H H 609 8.156 8.156 8.026 0.130 25280 2468 1 9 . 1 1 610 610 ASP N N 610 119.248 119.248 118.324 0.924 25280 2469 1 9 . 1 1 610 610 ASP HA H 610 4.549 4.549 4.451 0.098 25280 2470 1 9 . 1 1 610 610 ASP C C 610 176.353 176.353 176.973 -0.620 25280 2471 1 9 . 1 1 610 610 ASP CA C 610 54.344 54.344 55.756 -1.412 25280 2472 1 9 . 1 1 610 610 ASP CB C 610 41.237 41.237 39.981 1.256 25280 2473 1 9 . 1 1 610 610 ASP H H 610 8.215 8.215 8.349 -0.134 25280 2474 1 9 . 1 1 611 611 ALA N N 611 124.813 124.813 120.013 4.800 25280 2475 1 9 . 1 1 611 611 ALA C C 611 178.431 178.431 178.703 -0.272 25280 2476 1 9 . 1 1 611 611 ALA CA C 611 53.032 53.032 53.285 -0.253 25280 2477 1 9 . 1 1 611 611 ALA CB C 611 19.186 19.186 19.170 0.016 25280 2478 1 9 . 1 1 611 611 ALA H H 611 8.211 8.211 7.631 0.580 25280 2479 1 9 . 1 1 612 612 GLY N N 612 107.402 107.402 104.998 2.404 25280 2480 1 9 . 1 1 612 612 GLY C C 612 174.554 174.554 174.335 0.219 25280 2481 1 9 . 1 1 612 612 GLY CA C 612 45.512 45.512 45.083 0.429 25280 2482 1 9 . 1 1 612 612 GLY H H 612 8.417 8.417 7.836 0.581 25280 2483 1 9 . 1 1 613 613 LEU N N 613 121.201 121.201 121.372 -0.171 25280 2484 1 9 . 1 1 613 613 LEU HA H 613 4.294 4.294 4.244 0.050 25280 2485 1 9 . 1 1 613 613 LEU C C 613 178.034 178.034 178.109 -0.075 25280 2486 1 9 . 1 1 613 613 LEU CA C 613 55.410 55.410 55.175 0.235 25280 2487 1 9 . 1 1 613 613 LEU CB C 613 42.337 42.337 41.946 0.391 25280 2488 1 9 . 1 1 613 613 LEU H H 613 8.032 8.032 7.768 0.264 25280 2489 1 9 . 1 1 614 614 GLY N N 614 109.395 109.395 109.016 0.379 25280 2490 1 9 . 1 1 614 614 GLY C C 614 174.274 174.274 175.233 -0.959 25280 2491 1 9 . 1 1 614 614 GLY CA C 614 45.088 45.088 44.932 0.156 25280 2492 1 9 . 1 1 614 614 GLY H H 614 8.438 8.438 8.837 -0.399 25280 2493 1 9 . 1 1 615 615 GLY N N 615 108.795 108.795 108.712 0.083 25280 2494 1 9 . 1 1 615 615 GLY CA C 615 44.453 44.453 44.400 0.053 25280 2495 1 9 . 1 1 615 615 GLY H H 615 8.048 8.048 7.479 0.569 25280 2496 1 9 . 1 1 616 616 PRO HA H 616 4.416 4.416 4.342 0.074 25280 2497 1 9 . 1 1 616 616 PRO C C 616 177.062 177.062 175.922 1.140 25280 2498 1 9 . 1 1 616 616 PRO CA C 616 63.037 63.037 64.249 -1.212 25280 2499 1 9 . 1 1 616 616 PRO CB C 616 32.164 32.164 31.872 0.292 25280 2500 1 9 . 1 1 617 617 VAL N N 617 119.919 119.919 115.461 4.458 25280 2501 1 9 . 1 1 617 617 VAL HA H 617 4.041 4.041 4.477 -0.436 25280 2502 1 9 . 1 1 617 617 VAL C C 617 175.491 175.491 174.030 1.461 25280 2503 1 9 . 1 1 617 617 VAL CA C 617 62.085 62.085 59.938 2.147 25280 2504 1 9 . 1 1 617 617 VAL CB C 617 32.975 32.975 34.640 -1.665 25280 2505 1 9 . 1 1 617 617 VAL H H 617 8.207 8.207 7.356 0.851 25280 2506 1 9 . 1 1 618 618 ASP N N 618 123.606 123.606 120.189 3.417 25280 2507 1 9 . 1 1 618 618 ASP HA H 618 4.546 4.546 4.914 -0.368 25280 2508 1 9 . 1 1 618 618 ASP C C 618 175.875 175.875 175.744 0.131 25280 2509 1 9 . 1 1 618 618 ASP CA C 618 53.977 53.977 53.145 0.832 25280 2510 1 9 . 1 1 618 618 ASP CB C 618 41.472 41.472 42.944 -1.472 25280 2511 1 9 . 1 1 618 618 ASP H H 618 8.264 8.264 8.114 0.150 25280 2512 1 9 . 1 1 619 619 PHE N N 619 121.642 121.642 120.723 0.919 25280 2513 1 9 . 1 1 619 619 PHE HA H 619 4.578 4.578 4.536 0.042 25280 2514 1 9 . 1 1 619 619 PHE C C 619 175.905 175.905 176.245 -0.340 25280 2515 1 9 . 1 1 619 619 PHE CA C 619 57.977 57.977 58.193 -0.216 25280 2516 1 9 . 1 1 619 619 PHE CB C 619 39.363 39.363 39.591 -0.228 25280 2517 1 9 . 1 1 619 619 PHE H H 619 8.263 8.263 7.968 0.295 25280 2518 1 9 . 1 1 620 620 SER N N 620 117.019 117.019 118.555 -1.536 25280 2519 1 9 . 1 1 620 620 SER HA H 620 4.325 4.325 4.147 0.178 25280 2520 1 9 . 1 1 620 620 SER C C 620 173.926 173.926 173.678 0.248 25280 2521 1 9 . 1 1 620 620 SER CA C 620 58.935 58.935 58.424 0.511 25280 2522 1 9 . 1 1 620 620 SER CB C 620 63.804 63.804 63.950 -0.145 25280 2523 1 9 . 1 1 620 620 SER H H 620 8.274 8.274 7.450 0.824 25280 2524 1 9 . 1 1 621 621 ASP N N 621 121.939 121.939 124.757 -2.818 25280 2525 1 9 . 1 1 621 621 ASP HA H 621 4.596 4.596 4.715 -0.119 25280 2526 1 9 . 1 1 621 621 ASP C C 621 175.540 175.540 176.573 -1.033 25280 2527 1 9 . 1 1 621 621 ASP CA C 621 54.099 54.099 53.880 0.219 25280 2528 1 9 . 1 1 621 621 ASP CB C 621 41.098 41.098 40.881 0.217 25280 2529 1 9 . 1 1 621 621 ASP H H 621 8.218 8.218 8.603 -0.385 25280 2530 1 9 . 1 1 622 622 LEU N N 622 122.946 122.946 121.058 1.888 25280 2531 1 9 . 1 1 622 622 LEU HA H 622 4.513 4.513 4.115 0.398 25280 2532 1 9 . 1 1 622 622 LEU CA C 622 52.999 52.999 57.022 -4.023 25280 2533 1 9 . 1 1 622 622 LEU CB C 622 41.847 41.847 40.270 1.577 25280 2534 1 9 . 1 1 622 622 LEU H H 622 7.900 7.900 7.348 0.552 25280 2535 1 9 . 1 1 623 623 PRO HA H 623 4.335 4.335 4.525 -0.190 25280 2536 1 9 . 1 1 623 623 PRO C C 623 176.233 176.233 175.957 0.276 25280 2537 1 9 . 1 1 623 623 PRO CA C 623 62.969 62.969 62.352 0.617 25280 2538 1 9 . 1 1 623 623 PRO CB C 623 31.645 31.645 32.215 -0.570 25280 2539 1 9 . 1 1 624 624 TRP N N 624 122.332 122.332 121.916 0.416 25280 2540 1 9 . 1 1 624 624 TRP HA H 624 4.903 4.903 4.606 0.297 25280 2541 1 9 . 1 1 624 624 TRP CA C 624 54.676 54.676 55.520 -0.844 25280 2542 1 9 . 1 1 624 624 TRP CB C 624 29.101 29.101 28.593 0.508 25280 2543 1 9 . 1 1 624 624 TRP H H 624 7.967 7.967 8.485 -0.518 25280 2544 1 9 . 1 1 625 625 PRO HA H 625 4.400 4.400 4.392 0.008 25280 2545 1 9 . 1 1 625 625 PRO C C 625 175.842 175.842 176.112 -0.270 25280 2546 1 9 . 1 1 625 625 PRO CA C 625 63.221 63.221 62.508 0.713 25280 2547 1 9 . 1 1 625 625 PRO CB C 625 31.812 31.812 32.417 -0.605 25280 2548 1 10 . 1 1 574 574 MET N N 574 117.950 117.950 121.943 -3.993 25280 2549 1 10 . 1 1 574 574 MET HA H 574 4.485 4.485 4.580 -0.095 25280 2550 1 10 . 1 1 574 574 MET C C 574 175.669 175.669 176.037 -0.368 25280 2551 1 10 . 1 1 574 574 MET CA C 574 54.944 54.944 54.867 0.077 25280 2552 1 10 . 1 1 574 574 MET CB C 574 32.476 32.476 33.086 -0.610 25280 2553 1 10 . 1 1 574 574 MET H H 574 8.461 8.461 8.223 0.239 25280 2554 1 10 . 1 1 575 575 ASP N N 575 122.898 122.898 122.393 0.505 25280 2555 1 10 . 1 1 575 575 ASP CA C 575 52.807 52.807 53.233 -0.426 25280 2556 1 10 . 1 1 575 575 ASP CB C 575 40.926 40.926 41.102 -0.177 25280 2557 1 10 . 1 1 575 575 ASP H H 575 8.101 8.101 8.399 -0.298 25280 2558 1 10 . 1 1 576 576 PRO HA H 576 4.344 4.344 4.412 -0.068 25280 2559 1 10 . 1 1 576 576 PRO C C 576 177.044 177.044 177.027 0.017 25280 2560 1 10 . 1 1 576 576 PRO CA C 576 63.623 63.623 64.070 -0.447 25280 2561 1 10 . 1 1 576 576 PRO CB C 576 32.082 32.082 32.229 -0.147 25280 2562 1 10 . 1 1 577 577 GLU N N 577 119.542 119.542 115.525 4.017 25280 2563 1 10 . 1 1 577 577 GLU HA H 577 4.122 4.122 4.386 -0.264 25280 2564 1 10 . 1 1 577 577 GLU C C 577 176.229 176.229 175.021 1.208 25280 2565 1 10 . 1 1 577 577 GLU CA C 577 56.941 56.941 55.840 1.101 25280 2566 1 10 . 1 1 577 577 GLU CB C 577 30.073 30.073 29.906 0.167 25280 2567 1 10 . 1 1 577 577 GLU H H 577 8.524 8.524 8.329 0.195 25280 2568 1 10 . 1 1 578 578 PHE N N 578 120.435 120.435 123.184 -2.749 25280 2569 1 10 . 1 1 578 578 PHE HA H 578 4.605 4.605 4.467 0.138 25280 2570 1 10 . 1 1 578 578 PHE C C 578 175.385 175.385 175.537 -0.152 25280 2571 1 10 . 1 1 578 578 PHE CA C 578 57.624 57.624 57.781 -0.157 25280 2572 1 10 . 1 1 578 578 PHE CB C 578 39.740 39.740 39.628 0.112 25280 2573 1 10 . 1 1 578 578 PHE H H 578 8.076 8.076 7.782 0.294 25280 2574 1 10 . 1 1 579 579 ILE N N 579 123.348 123.348 128.127 -4.779 25280 2575 1 10 . 1 1 579 579 ILE HA H 579 4.089 4.089 3.913 0.176 25280 2576 1 10 . 1 1 579 579 ILE C C 579 176.118 176.118 176.336 -0.218 25280 2577 1 10 . 1 1 579 579 ILE CA C 579 61.181 61.181 60.316 0.865 25280 2578 1 10 . 1 1 579 579 ILE CB C 579 38.751 38.751 35.051 3.700 25280 2579 1 10 . 1 1 579 579 ILE H H 579 7.917 7.917 7.712 0.205 25280 2580 1 10 . 1 1 580 580 GLY N N 580 112.431 112.431 115.057 -2.626 25280 2581 1 10 . 1 1 580 580 GLY C C 580 173.918 173.918 174.827 -0.909 25280 2582 1 10 . 1 1 580 580 GLY CA C 580 45.395 45.395 43.835 1.560 25280 2583 1 10 . 1 1 580 580 GLY H H 580 8.051 8.051 7.908 0.143 25280 2584 1 10 . 1 1 581 581 ILE N N 581 119.415 119.415 120.438 -1.023 25280 2585 1 10 . 1 1 581 581 ILE HA H 581 4.176 4.176 3.920 0.256 25280 2586 1 10 . 1 1 581 581 ILE C C 581 175.785 175.785 174.971 0.814 25280 2587 1 10 . 1 1 581 581 ILE CA C 581 61.159 61.159 61.633 -0.474 25280 2588 1 10 . 1 1 581 581 ILE CB C 581 39.139 39.139 36.602 2.537 25280 2589 1 10 . 1 1 581 581 ILE H H 581 7.925 7.925 8.381 -0.456 25280 2590 1 10 . 1 1 582 582 ASP N N 582 123.440 123.440 126.353 -2.913 25280 2591 1 10 . 1 1 582 582 ASP HA H 582 4.565 4.565 4.699 -0.134 25280 2592 1 10 . 1 1 582 582 ASP C C 582 175.891 175.891 175.487 0.404 25280 2593 1 10 . 1 1 582 582 ASP CA C 582 54.394 54.394 53.528 0.866 25280 2594 1 10 . 1 1 582 582 ASP CB C 582 41.070 41.070 41.755 -0.686 25280 2595 1 10 . 1 1 582 582 ASP H H 582 8.428 8.428 8.240 0.188 25280 2596 1 10 . 1 1 583 583 MET N N 583 120.813 120.813 123.465 -2.652 25280 2597 1 10 . 1 1 583 583 MET HA H 583 4.458 4.458 4.375 0.083 25280 2598 1 10 . 1 1 583 583 MET C C 583 175.962 175.962 176.265 -0.303 25280 2599 1 10 . 1 1 583 583 MET CA C 583 55.401 55.401 55.875 -0.474 25280 2600 1 10 . 1 1 583 583 MET CB C 583 32.942 32.942 33.160 -0.217 25280 2601 1 10 . 1 1 583 583 MET H H 583 8.207 8.207 8.561 -0.354 25280 2602 1 10 . 1 1 584 584 ILE N N 584 122.088 122.088 124.807 -2.719 25280 2603 1 10 . 1 1 584 584 ILE HA H 584 4.113 4.113 4.214 -0.101 25280 2604 1 10 . 1 1 584 584 ILE C C 584 175.758 175.758 174.949 0.809 25280 2605 1 10 . 1 1 584 584 ILE CA C 584 61.193 61.193 61.394 -0.201 25280 2606 1 10 . 1 1 584 584 ILE CB C 584 38.815 38.815 38.564 0.251 25280 2607 1 10 . 1 1 584 584 ILE H H 584 8.090 8.090 8.328 -0.238 25280 2608 1 10 . 1 1 585 585 ASP N N 585 124.211 124.211 127.563 -3.352 25280 2609 1 10 . 1 1 585 585 ASP HA H 585 4.603 4.603 4.667 -0.064 25280 2610 1 10 . 1 1 585 585 ASP C C 585 175.880 175.880 174.890 0.990 25280 2611 1 10 . 1 1 585 585 ASP CA C 585 54.213 54.213 53.481 0.732 25280 2612 1 10 . 1 1 585 585 ASP CB C 585 41.175 41.175 40.690 0.485 25280 2613 1 10 . 1 1 585 585 ASP H H 585 8.395 8.395 8.551 -0.156 25280 2614 1 10 . 1 1 586 586 ASN N N 586 119.932 119.932 119.244 0.688 25280 2615 1 10 . 1 1 586 586 ASN HA H 586 4.681 4.681 4.682 -0.001 25280 2616 1 10 . 1 1 586 586 ASN C C 586 175.085 175.085 176.492 -1.407 25280 2617 1 10 . 1 1 586 586 ASN CA C 586 53.488 53.488 53.849 -0.361 25280 2618 1 10 . 1 1 586 586 ASN CB C 586 39.212 39.212 38.931 0.281 25280 2619 1 10 . 1 1 586 586 ASN H H 586 8.362 8.362 8.364 -0.002 25280 2620 1 10 . 1 1 587 587 ASP N N 587 120.991 120.991 119.935 1.056 25280 2621 1 10 . 1 1 587 587 ASP HA H 587 4.584 4.584 4.534 0.050 25280 2622 1 10 . 1 1 587 587 ASP C C 587 176.594 176.594 178.249 -1.655 25280 2623 1 10 . 1 1 587 587 ASP CA C 587 54.770 54.770 55.811 -1.041 25280 2624 1 10 . 1 1 587 587 ASP CB C 587 41.113 41.113 40.589 0.524 25280 2625 1 10 . 1 1 587 587 ASP H H 587 8.417 8.417 8.526 -0.109 25280 2626 1 10 . 1 1 588 588 GLN N N 588 120.536 120.536 118.415 2.121 25280 2627 1 10 . 1 1 588 588 GLN HA H 588 4.276 4.276 4.168 0.108 25280 2628 1 10 . 1 1 588 588 GLN C C 588 176.825 176.825 176.672 0.153 25280 2629 1 10 . 1 1 588 588 GLN CA C 588 56.197 56.197 56.501 -0.304 25280 2630 1 10 . 1 1 588 588 GLN CB C 588 29.189 29.189 29.196 -0.007 25280 2631 1 10 . 1 1 588 588 GLN H H 588 8.351 8.351 8.127 0.224 25280 2632 1 10 . 1 1 589 589 GLY N N 589 109.481 109.481 107.400 2.081 25280 2633 1 10 . 1 1 589 589 GLY C C 589 174.353 174.353 173.823 0.530 25280 2634 1 10 . 1 1 589 589 GLY CA C 589 45.495 45.495 45.158 0.337 25280 2635 1 10 . 1 1 589 589 GLY H H 589 8.440 8.440 8.185 0.255 25280 2636 1 10 . 1 1 590 590 SER N N 590 115.518 115.518 114.382 1.136 25280 2637 1 10 . 1 1 590 590 SER HA H 590 4.493 4.493 4.357 0.136 25280 2638 1 10 . 1 1 590 590 SER C C 590 174.643 174.643 174.163 0.480 25280 2639 1 10 . 1 1 590 590 SER CA C 590 58.215 58.215 59.088 -0.873 25280 2640 1 10 . 1 1 590 590 SER CB C 590 63.883 63.883 63.845 0.038 25280 2641 1 10 . 1 1 590 590 SER H H 590 8.187 8.187 8.074 0.113 25280 2642 1 10 . 1 1 591 591 SER N N 591 117.781 117.781 119.648 -1.867 25280 2643 1 10 . 1 1 591 591 SER HA H 591 4.518 4.518 4.654 -0.136 25280 2644 1 10 . 1 1 591 591 SER C C 591 174.128 174.128 173.167 0.961 25280 2645 1 10 . 1 1 591 591 SER CA C 591 58.151 58.151 57.670 0.481 25280 2646 1 10 . 1 1 591 591 SER CB C 591 63.838 63.838 64.308 -0.470 25280 2647 1 10 . 1 1 591 591 SER H H 591 8.362 8.362 8.338 0.024 25280 2648 1 10 . 1 1 592 592 SER N N 592 118.898 118.898 118.592 0.306 25280 2649 1 10 . 1 1 592 592 SER CA C 592 56.483 56.483 55.109 1.374 25280 2650 1 10 . 1 1 592 592 SER CB C 592 63.507 63.507 63.155 0.352 25280 2651 1 10 . 1 1 592 592 SER H H 592 8.336 8.336 8.598 -0.262 25280 2652 1 10 . 1 1 593 593 PRO HA H 593 4.459 4.459 4.353 0.106 25280 2653 1 10 . 1 1 593 593 PRO C C 593 177.037 177.037 178.006 -0.969 25280 2654 1 10 . 1 1 593 593 PRO CA C 593 63.337 63.337 64.559 -1.222 25280 2655 1 10 . 1 1 593 593 PRO CB C 593 32.146 32.146 32.032 0.114 25280 2656 1 10 . 1 1 594 594 SER N N 594 116.126 116.126 111.805 4.321 25280 2657 1 10 . 1 1 594 594 SER HA H 594 4.405 4.405 4.375 0.030 25280 2658 1 10 . 1 1 594 594 SER C C 594 174.478 174.478 176.845 -2.367 25280 2659 1 10 . 1 1 594 594 SER CA C 594 58.283 58.283 60.776 -2.493 25280 2660 1 10 . 1 1 594 594 SER CB C 594 63.781 63.781 62.898 0.883 25280 2661 1 10 . 1 1 594 594 SER H H 594 8.436 8.436 8.371 0.065 25280 2662 1 10 . 1 1 595 595 ASN N N 595 120.920 120.920 119.735 1.185 25280 2663 1 10 . 1 1 595 595 ASN HA H 595 4.711 4.711 4.493 0.218 25280 2664 1 10 . 1 1 595 595 ASN C C 595 175.089 175.089 177.185 -2.096 25280 2665 1 10 . 1 1 595 595 ASN CA C 595 53.483 53.483 55.687 -2.204 25280 2666 1 10 . 1 1 595 595 ASN CB C 595 39.060 39.060 38.563 0.497 25280 2667 1 10 . 1 1 595 595 ASN H H 595 8.460 8.460 7.650 0.810 25280 2668 1 10 . 1 1 596 596 ASP N N 596 121.047 121.047 119.967 1.080 25280 2669 1 10 . 1 1 596 596 ASP HA H 596 4.562 4.562 4.490 0.072 25280 2670 1 10 . 1 1 596 596 ASP C C 596 176.666 176.666 177.572 -0.906 25280 2671 1 10 . 1 1 596 596 ASP CA C 596 54.776 54.776 56.359 -1.583 25280 2672 1 10 . 1 1 596 596 ASP CB C 596 41.079 41.079 39.929 1.150 25280 2673 1 10 . 1 1 596 596 ASP H H 596 8.304 8.304 7.881 0.423 25280 2674 1 10 . 1 1 597 597 GLU N N 597 121.766 121.766 120.128 1.638 25280 2675 1 10 . 1 1 597 597 GLU HA H 597 4.108 4.108 4.013 0.095 25280 2676 1 10 . 1 1 597 597 GLU C C 597 177.474 177.474 178.324 -0.850 25280 2677 1 10 . 1 1 597 597 GLU CA C 597 57.983 57.983 58.802 -0.819 25280 2678 1 10 . 1 1 597 597 GLU CB C 597 29.907 29.907 29.420 0.487 25280 2679 1 10 . 1 1 597 597 GLU H H 597 8.386 8.386 7.677 0.709 25280 2680 1 10 . 1 1 598 598 ALA N N 598 123.873 123.873 121.798 2.075 25280 2681 1 10 . 1 1 598 598 ALA C C 598 178.598 178.598 179.896 -1.298 25280 2682 1 10 . 1 1 598 598 ALA CA C 598 53.540 53.540 54.970 -1.430 25280 2683 1 10 . 1 1 598 598 ALA CB C 598 18.651 18.651 18.126 0.525 25280 2684 1 10 . 1 1 598 598 ALA H H 598 8.238 8.238 7.738 0.500 25280 2685 1 10 . 1 1 599 599 ALA N N 599 122.041 122.041 121.465 0.576 25280 2686 1 10 . 1 1 599 599 ALA HA H 599 4.225 4.225 4.123 0.102 25280 2687 1 10 . 1 1 599 599 ALA C C 599 178.877 178.877 179.763 -0.886 25280 2688 1 10 . 1 1 599 599 ALA CA C 599 53.382 53.382 54.622 -1.240 25280 2689 1 10 . 1 1 599 599 ALA CB C 599 18.779 18.779 18.416 0.363 25280 2690 1 10 . 1 1 599 599 ALA H H 599 8.017 8.017 7.609 0.408 25280 2691 1 10 . 1 1 600 600 MET N N 600 118.403 118.403 116.409 1.994 25280 2692 1 10 . 1 1 600 600 MET HA H 600 4.386 4.386 4.289 0.097 25280 2693 1 10 . 1 1 600 600 MET C C 600 176.628 176.628 177.616 -0.988 25280 2694 1 10 . 1 1 600 600 MET CA C 600 56.058 56.058 57.331 -1.272 25280 2695 1 10 . 1 1 600 600 MET CB C 600 32.504 32.504 32.165 0.339 25280 2696 1 10 . 1 1 600 600 MET H H 600 8.096 8.096 7.861 0.235 25280 2697 1 10 . 1 1 601 601 ALA N N 601 123.911 123.911 123.935 -0.024 25280 2698 1 10 . 1 1 601 601 ALA HA H 601 4.228 4.228 4.154 0.074 25280 2699 1 10 . 1 1 601 601 ALA C C 601 178.582 178.582 179.035 -0.453 25280 2700 1 10 . 1 1 601 601 ALA CA C 601 53.415 53.415 54.474 -1.059 25280 2701 1 10 . 1 1 601 601 ALA CB C 601 18.732 18.732 17.999 0.733 25280 2702 1 10 . 1 1 601 601 ALA H H 601 8.049 8.049 7.571 0.478 25280 2703 1 10 . 1 1 602 602 VAL N N 602 119.320 119.320 119.250 0.070 25280 2704 1 10 . 1 1 602 602 VAL HA H 602 3.938 3.938 3.740 0.198 25280 2705 1 10 . 1 1 602 602 VAL C C 602 176.902 176.902 177.177 -0.275 25280 2706 1 10 . 1 1 602 602 VAL CA C 602 63.561 63.561 64.400 -0.839 25280 2707 1 10 . 1 1 602 602 VAL CB C 602 32.473 32.473 31.625 0.848 25280 2708 1 10 . 1 1 602 602 VAL H H 602 7.844 7.844 7.388 0.456 25280 2709 1 10 . 1 1 603 603 ILE N N 603 123.836 123.836 121.084 2.752 25280 2710 1 10 . 1 1 603 603 ILE HA H 603 3.994 3.994 3.662 0.332 25280 2711 1 10 . 1 1 603 603 ILE C C 603 177.039 177.039 177.394 -0.355 25280 2712 1 10 . 1 1 603 603 ILE CA C 603 62.259 62.259 64.108 -1.849 25280 2713 1 10 . 1 1 603 603 ILE CB C 603 38.292 38.292 37.957 0.335 25280 2714 1 10 . 1 1 603 603 ILE H H 603 8.003 8.003 8.018 -0.015 25280 2715 1 10 . 1 1 604 604 MET N N 604 122.698 122.698 118.102 4.596 25280 2716 1 10 . 1 1 604 604 MET HA H 604 4.412 4.412 4.250 0.162 25280 2717 1 10 . 1 1 604 604 MET C C 604 176.884 176.884 176.787 0.097 25280 2718 1 10 . 1 1 604 604 MET CA C 604 56.136 56.136 57.553 -1.417 25280 2719 1 10 . 1 1 604 604 MET CB C 604 32.466 32.466 32.869 -0.403 25280 2720 1 10 . 1 1 604 604 MET H H 604 8.414 8.414 7.675 0.739 25280 2721 1 10 . 1 1 605 605 SER N N 605 116.666 116.666 113.850 2.816 25280 2722 1 10 . 1 1 605 605 SER HA H 605 4.376 4.376 4.602 -0.226 25280 2723 1 10 . 1 1 605 605 SER C C 605 174.920 174.920 173.627 1.293 25280 2724 1 10 . 1 1 605 605 SER CA C 605 59.160 59.160 58.012 1.148 25280 2725 1 10 . 1 1 605 605 SER CB C 605 63.539 63.539 63.070 0.469 25280 2726 1 10 . 1 1 605 605 SER H H 605 8.175 8.175 7.921 0.254 25280 2727 1 10 . 1 1 606 606 LEU N N 606 123.877 123.877 126.354 -2.477 25280 2728 1 10 . 1 1 606 606 LEU HA H 606 4.329 4.329 4.560 -0.231 25280 2729 1 10 . 1 1 606 606 LEU C C 606 177.666 177.666 175.954 1.712 25280 2730 1 10 . 1 1 606 606 LEU CA C 606 55.735 55.735 55.301 0.434 25280 2731 1 10 . 1 1 606 606 LEU CB C 606 42.208 42.208 43.141 -0.933 25280 2732 1 10 . 1 1 606 606 LEU H H 606 8.098 8.098 8.396 -0.298 25280 2733 1 10 . 1 1 607 607 LEU N N 607 121.714 121.714 122.293 -0.579 25280 2734 1 10 . 1 1 607 607 LEU HA H 607 4.311 4.311 4.405 -0.094 25280 2735 1 10 . 1 1 607 607 LEU C C 607 177.811 177.811 176.968 0.843 25280 2736 1 10 . 1 1 607 607 LEU CA C 607 55.664 55.664 54.821 0.843 25280 2737 1 10 . 1 1 607 607 LEU CB C 607 42.312 42.312 42.717 -0.404 25280 2738 1 10 . 1 1 607 607 LEU H H 607 8.015 8.015 7.558 0.457 25280 2739 1 10 . 1 1 608 608 GLU N N 608 121.023 121.023 127.350 -6.327 25280 2740 1 10 . 1 1 608 608 GLU HA H 608 4.204 4.204 4.241 -0.037 25280 2741 1 10 . 1 1 608 608 GLU C C 608 176.604 176.604 176.376 0.228 25280 2742 1 10 . 1 1 608 608 GLU CA C 608 56.781 56.781 56.117 0.664 25280 2743 1 10 . 1 1 608 608 GLU CB C 608 30.050 30.050 28.549 1.501 25280 2744 1 10 . 1 1 608 608 GLU H H 608 8.195 8.195 9.048 -0.853 25280 2745 1 10 . 1 1 609 609 ALA N N 609 124.285 124.285 128.589 -4.304 25280 2746 1 10 . 1 1 609 609 ALA HA H 609 4.223 4.223 4.142 0.081 25280 2747 1 10 . 1 1 609 609 ALA C C 609 177.700 177.700 178.274 -0.574 25280 2748 1 10 . 1 1 609 609 ALA CA C 609 52.977 52.977 54.246 -1.269 25280 2749 1 10 . 1 1 609 609 ALA CB C 609 19.185 19.185 18.992 0.193 25280 2750 1 10 . 1 1 609 609 ALA H H 609 8.156 8.156 8.073 0.083 25280 2751 1 10 . 1 1 610 610 ASP N N 610 119.248 119.248 118.870 0.378 25280 2752 1 10 . 1 1 610 610 ASP HA H 610 4.549 4.549 4.425 0.124 25280 2753 1 10 . 1 1 610 610 ASP C C 610 176.353 176.353 177.238 -0.885 25280 2754 1 10 . 1 1 610 610 ASP CA C 610 54.344 54.344 56.216 -1.872 25280 2755 1 10 . 1 1 610 610 ASP CB C 610 41.237 41.237 40.069 1.169 25280 2756 1 10 . 1 1 610 610 ASP H H 610 8.215 8.215 8.447 -0.232 25280 2757 1 10 . 1 1 611 611 ALA N N 611 124.813 124.813 121.063 3.750 25280 2758 1 10 . 1 1 611 611 ALA C C 611 178.431 178.431 178.360 0.071 25280 2759 1 10 . 1 1 611 611 ALA CA C 611 53.032 53.032 53.395 -0.363 25280 2760 1 10 . 1 1 611 611 ALA CB C 611 19.186 19.186 19.371 -0.185 25280 2761 1 10 . 1 1 611 611 ALA H H 611 8.211 8.211 7.409 0.802 25280 2762 1 10 . 1 1 612 612 GLY N N 612 107.402 107.402 106.127 1.275 25280 2763 1 10 . 1 1 612 612 GLY C C 612 174.554 174.554 174.435 0.119 25280 2764 1 10 . 1 1 612 612 GLY CA C 612 45.512 45.512 45.311 0.201 25280 2765 1 10 . 1 1 612 612 GLY H H 612 8.417 8.417 7.806 0.611 25280 2766 1 10 . 1 1 613 613 LEU N N 613 121.201 121.201 121.000 0.201 25280 2767 1 10 . 1 1 613 613 LEU HA H 613 4.294 4.294 4.538 -0.244 25280 2768 1 10 . 1 1 613 613 LEU C C 613 178.034 178.034 177.655 0.379 25280 2769 1 10 . 1 1 613 613 LEU CA C 613 55.410 55.410 54.088 1.322 25280 2770 1 10 . 1 1 613 613 LEU CB C 613 42.337 42.337 42.403 -0.066 25280 2771 1 10 . 1 1 613 613 LEU H H 613 8.032 8.032 7.891 0.141 25280 2772 1 10 . 1 1 614 614 GLY N N 614 109.395 109.395 109.971 -0.576 25280 2773 1 10 . 1 1 614 614 GLY C C 614 174.274 174.274 175.127 -0.853 25280 2774 1 10 . 1 1 614 614 GLY CA C 614 45.088 45.088 44.597 0.491 25280 2775 1 10 . 1 1 614 614 GLY H H 614 8.438 8.438 8.811 -0.373 25280 2776 1 10 . 1 1 615 615 GLY N N 615 108.795 108.795 110.035 -1.240 25280 2777 1 10 . 1 1 615 615 GLY CA C 615 44.453 44.453 44.246 0.207 25280 2778 1 10 . 1 1 615 615 GLY H H 615 8.048 8.048 8.024 0.024 25280 2779 1 10 . 1 1 616 616 PRO HA H 616 4.416 4.416 4.329 0.087 25280 2780 1 10 . 1 1 616 616 PRO C C 616 177.062 177.062 176.359 0.703 25280 2781 1 10 . 1 1 616 616 PRO CA C 616 63.037 63.037 63.106 -0.069 25280 2782 1 10 . 1 1 616 616 PRO CB C 616 32.164 32.164 32.175 -0.011 25280 2783 1 10 . 1 1 617 617 VAL N N 617 119.919 119.919 123.285 -3.366 25280 2784 1 10 . 1 1 617 617 VAL HA H 617 4.041 4.041 4.027 0.013 25280 2785 1 10 . 1 1 617 617 VAL C C 617 175.491 175.491 175.449 0.042 25280 2786 1 10 . 1 1 617 617 VAL CA C 617 62.085 62.085 63.192 -1.107 25280 2787 1 10 . 1 1 617 617 VAL CB C 617 32.975 32.975 32.071 0.904 25280 2788 1 10 . 1 1 617 617 VAL H H 617 8.207 8.207 8.112 0.095 25280 2789 1 10 . 1 1 618 618 ASP N N 618 123.606 123.606 125.840 -2.234 25280 2790 1 10 . 1 1 618 618 ASP HA H 618 4.546 4.546 4.382 0.164 25280 2791 1 10 . 1 1 618 618 ASP C C 618 175.875 175.875 174.823 1.052 25280 2792 1 10 . 1 1 618 618 ASP CA C 618 53.977 53.977 53.093 0.884 25280 2793 1 10 . 1 1 618 618 ASP CB C 618 41.472 41.472 41.919 -0.447 25280 2794 1 10 . 1 1 618 618 ASP H H 618 8.264 8.264 8.119 0.145 25280 2795 1 10 . 1 1 619 619 PHE N N 619 121.642 121.642 119.445 2.197 25280 2796 1 10 . 1 1 619 619 PHE HA H 619 4.578 4.578 4.606 -0.028 25280 2797 1 10 . 1 1 619 619 PHE C C 619 175.905 175.905 176.874 -0.969 25280 2798 1 10 . 1 1 619 619 PHE CA C 619 57.977 57.977 57.814 0.163 25280 2799 1 10 . 1 1 619 619 PHE CB C 619 39.363 39.363 39.822 -0.459 25280 2800 1 10 . 1 1 619 619 PHE H H 619 8.263 8.263 8.155 0.108 25280 2801 1 10 . 1 1 620 620 SER N N 620 117.019 117.019 120.387 -3.368 25280 2802 1 10 . 1 1 620 620 SER HA H 620 4.325 4.325 4.556 -0.231 25280 2803 1 10 . 1 1 620 620 SER C C 620 173.926 173.926 173.858 0.068 25280 2804 1 10 . 1 1 620 620 SER CA C 620 58.935 58.935 58.078 0.857 25280 2805 1 10 . 1 1 620 620 SER CB C 620 63.804 63.804 63.594 0.210 25280 2806 1 10 . 1 1 620 620 SER H H 620 8.274 8.274 8.510 -0.236 25280 2807 1 10 . 1 1 621 621 ASP N N 621 121.939 121.939 121.557 0.382 25280 2808 1 10 . 1 1 621 621 ASP HA H 621 4.596 4.596 4.344 0.252 25280 2809 1 10 . 1 1 621 621 ASP C C 621 175.540 175.540 175.932 -0.392 25280 2810 1 10 . 1 1 621 621 ASP CA C 621 54.099 54.099 55.199 -1.100 25280 2811 1 10 . 1 1 621 621 ASP CB C 621 41.098 41.098 40.202 0.896 25280 2812 1 10 . 1 1 621 621 ASP H H 621 8.218 8.218 8.955 -0.737 25280 2813 1 10 . 1 1 622 622 LEU N N 622 122.946 122.946 119.161 3.785 25280 2814 1 10 . 1 1 622 622 LEU HA H 622 4.513 4.513 4.451 0.062 25280 2815 1 10 . 1 1 622 622 LEU CA C 622 52.999 52.999 56.449 -3.450 25280 2816 1 10 . 1 1 622 622 LEU CB C 622 41.847 41.847 41.945 -0.098 25280 2817 1 10 . 1 1 622 622 LEU H H 622 7.900 7.900 7.951 -0.051 25280 2818 1 10 . 1 1 623 623 PRO HA H 623 4.335 4.335 4.319 0.016 25280 2819 1 10 . 1 1 623 623 PRO C C 623 176.233 176.233 175.374 0.859 25280 2820 1 10 . 1 1 623 623 PRO CA C 623 62.969 62.969 62.907 0.062 25280 2821 1 10 . 1 1 623 623 PRO CB C 623 31.645 31.645 31.911 -0.266 25280 2822 1 10 . 1 1 624 624 TRP N N 624 122.332 122.332 124.684 -2.352 25280 2823 1 10 . 1 1 624 624 TRP HA H 624 4.903 4.903 4.926 -0.023 25280 2824 1 10 . 1 1 624 624 TRP CA C 624 54.676 54.676 55.120 -0.444 25280 2825 1 10 . 1 1 624 624 TRP CB C 624 29.101 29.101 28.613 0.488 25280 2826 1 10 . 1 1 624 624 TRP H H 624 7.967 7.967 8.098 -0.131 25280 2827 1 10 . 1 1 625 625 PRO HA H 625 4.400 4.400 4.134 0.266 25280 2828 1 10 . 1 1 625 625 PRO C C 625 175.842 175.842 176.978 -1.136 25280 2829 1 10 . 1 1 625 625 PRO CA C 625 63.221 63.221 64.279 -1.058 25280 2830 1 10 . 1 1 625 625 PRO CB C 625 31.812 31.812 31.861 -0.049 25280 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 47 2.636 0.118 2.662 25280 2 1 1 "Average Difference" HA 51 0.195 -0.034 0.194 25280 3 1 1 "Average Difference" C 47 0.866 0.106 0.869 25280 4 1 1 "Average Difference" CA 52 1.110 0.321 1.073 25280 5 1 1 "Average Difference" CB 47 0.843 -0.140 0.840 25280 6 1 1 "Average Difference" HN 47 0.376 -0.083 0.371 25280 7 1 2 "Average Difference" N 47 2.540 -0.049 2.567 25280 8 1 2 "Average Difference" HA 51 0.206 -0.022 0.207 25280 9 1 2 "Average Difference" C 47 0.815 0.094 0.818 25280 10 1 2 "Average Difference" CA 52 1.096 0.257 1.075 25280 11 1 2 "Average Difference" CB 47 0.811 -0.132 0.809 25280 12 1 2 "Average Difference" HN 47 0.417 -0.061 0.417 25280 13 1 3 "Average Difference" N 47 2.654 -0.114 2.680 25280 14 1 3 "Average Difference" HA 51 0.213 -0.038 0.212 25280 15 1 3 "Average Difference" C 47 0.884 0.178 0.875 25280 16 1 3 "Average Difference" CA 52 1.095 0.314 1.060 25280 17 1 3 "Average Difference" CB 47 0.670 -0.202 0.646 25280 18 1 3 "Average Difference" HN 47 0.391 -0.091 0.385 25280 19 1 4 "Average Difference" N 47 2.581 -0.189 2.602 25280 20 1 4 "Average Difference" HA 51 0.179 -0.042 0.176 25280 21 1 4 "Average Difference" C 47 0.820 0.227 0.797 25280 22 1 4 "Average Difference" CA 52 1.056 0.272 1.030 25280 23 1 4 "Average Difference" CB 47 0.897 -0.167 0.891 25280 24 1 4 "Average Difference" HN 47 0.443 -0.115 0.433 25280 25 1 5 "Average Difference" N 47 2.874 0.498 2.861 25280 26 1 5 "Average Difference" HA 51 0.215 -0.037 0.214 25280 27 1 5 "Average Difference" C 47 0.906 0.181 0.898 25280 28 1 5 "Average Difference" CA 52 1.104 0.386 1.044 25280 29 1 5 "Average Difference" CB 47 0.992 0.010 1.003 25280 30 1 5 "Average Difference" HN 47 0.416 -0.093 0.409 25280 31 1 6 "Average Difference" N 47 2.854 -0.154 2.880 25280 32 1 6 "Average Difference" HA 51 0.188 -0.047 0.183 25280 33 1 6 "Average Difference" C 47 0.842 0.208 0.824 25280 34 1 6 "Average Difference" CA 52 1.115 0.249 1.097 25280 35 1 6 "Average Difference" CB 47 0.805 -0.292 0.758 25280 36 1 6 "Average Difference" HN 47 0.456 -0.135 0.441 25280 37 1 7 "Average Difference" N 47 2.824 -0.535 2.803 25280 38 1 7 "Average Difference" HA 51 0.209 -0.018 0.211 25280 39 1 7 "Average Difference" C 47 0.844 0.159 0.838 25280 40 1 7 "Average Difference" CA 52 1.184 0.409 1.122 25280 41 1 7 "Average Difference" CB 47 0.813 -0.133 0.810 25280 42 1 7 "Average Difference" HN 47 0.442 -0.102 0.435 25280 43 1 8 "Average Difference" N 47 2.748 0.082 2.777 25280 44 1 8 "Average Difference" HA 51 0.230 -0.027 0.231 25280 45 1 8 "Average Difference" C 47 0.769 0.064 0.774 25280 46 1 8 "Average Difference" CA 52 0.935 0.273 0.903 25280 47 1 8 "Average Difference" CB 47 0.824 -0.199 0.808 25280 48 1 8 "Average Difference" HN 47 0.451 -0.096 0.445 25280 49 1 9 "Average Difference" N 47 2.591 -0.842 2.476 25280 50 1 9 "Average Difference" HA 51 0.205 -0.022 0.206 25280 51 1 9 "Average Difference" C 47 0.714 0.055 0.720 25280 52 1 9 "Average Difference" CA 52 1.072 0.138 1.073 25280 53 1 9 "Average Difference" CB 47 0.894 -0.190 0.883 25280 54 1 9 "Average Difference" HN 47 0.464 -0.158 0.441 25280 55 1 10 "Average Difference" N 47 2.628 0.182 2.650 25280 56 1 10 "Average Difference" HA 51 0.180 -0.049 0.175 25280 57 1 10 "Average Difference" C 47 0.919 0.158 0.915 25280 58 1 10 "Average Difference" CA 52 1.129 0.351 1.083 25280 59 1 10 "Average Difference" CB 47 0.852 -0.317 0.799 25280 60 1 10 "Average Difference" HN 47 0.380 -0.098 0.371 25280 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 25280 _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 1 574 574 MET N N 574 117.950 117.950 121.859 -3.909 25280 2 1 . 1 1 574 574 MET HA H 574 4.485 4.485 4.571 -0.086 25280 3 1 . 1 1 574 574 MET C C 574 175.669 175.669 175.642 0.027 25280 4 1 . 1 1 574 574 MET CA C 574 54.944 54.944 55.065 -0.121 25280 5 1 . 1 1 574 574 MET CB C 574 32.476 32.476 33.190 -0.714 25280 6 1 . 1 1 574 574 MET H H 574 8.461 8.461 8.169 0.292 25280 7 1 . 1 1 575 575 ASP N N 575 122.898 122.898 123.869 -0.971 25280 8 1 . 1 1 575 575 ASP CA C 575 52.807 52.807 52.948 -0.141 25280 9 1 . 1 1 575 575 ASP CB C 575 40.926 40.926 40.965 -0.039 25280 10 1 . 1 1 575 575 ASP H H 575 8.101 8.101 8.493 -0.392 25280 11 1 . 1 1 576 576 PRO HA H 576 4.344 4.344 4.412 -0.068 25280 12 1 . 1 1 576 576 PRO C C 576 177.044 177.044 176.668 0.376 25280 13 1 . 1 1 576 576 PRO CA C 576 63.623 63.623 63.372 0.250 25280 14 1 . 1 1 576 576 PRO CB C 576 32.082 32.082 31.940 0.142 25280 15 1 . 1 1 577 577 GLU N N 577 119.542 119.542 119.893 -0.351 25280 16 1 . 1 1 577 577 GLU HA H 577 4.122 4.122 4.140 -0.018 25280 17 1 . 1 1 577 577 GLU C C 577 176.229 176.229 176.194 0.035 25280 18 1 . 1 1 577 577 GLU CA C 577 56.941 56.941 57.192 -0.250 25280 19 1 . 1 1 577 577 GLU CB C 577 30.073 30.073 29.771 0.302 25280 20 1 . 1 1 577 577 GLU H H 577 8.524 8.524 8.446 0.078 25280 21 1 . 1 1 578 578 PHE N N 578 120.435 120.435 118.900 1.534 25280 22 1 . 1 1 578 578 PHE HA H 578 4.605 4.605 4.583 0.022 25280 23 1 . 1 1 578 578 PHE C C 578 175.385 175.385 175.287 0.098 25280 24 1 . 1 1 578 578 PHE CA C 578 57.624 57.624 57.337 0.286 25280 25 1 . 1 1 578 578 PHE CB C 578 39.740 39.740 40.245 -0.505 25280 26 1 . 1 1 578 578 PHE H H 578 8.076 8.076 7.592 0.484 25280 27 1 . 1 1 579 579 ILE N N 579 123.348 123.348 125.027 -1.679 25280 28 1 . 1 1 579 579 ILE HA H 579 4.089 4.089 4.174 -0.085 25280 29 1 . 1 1 579 579 ILE C C 579 176.118 176.118 175.995 0.123 25280 30 1 . 1 1 579 579 ILE CA C 579 61.181 61.181 60.868 0.313 25280 31 1 . 1 1 579 579 ILE CB C 579 38.751 38.751 36.997 1.754 25280 32 1 . 1 1 579 579 ILE H H 579 7.917 7.917 8.282 -0.365 25280 33 1 . 1 1 580 580 GLY N N 580 112.431 112.431 115.799 -3.368 25280 34 1 . 1 1 580 580 GLY C C 580 173.918 173.918 174.415 -0.497 25280 35 1 . 1 1 580 580 GLY CA C 580 45.395 45.395 44.422 0.973 25280 36 1 . 1 1 580 580 GLY H H 580 8.051 8.051 8.246 -0.195 25280 37 1 . 1 1 581 581 ILE N N 581 119.415 119.415 122.087 -2.672 25280 38 1 . 1 1 581 581 ILE HA H 581 4.176 4.176 4.168 0.008 25280 39 1 . 1 1 581 581 ILE C C 581 175.785 175.785 175.311 0.473 25280 40 1 . 1 1 581 581 ILE CA C 581 61.159 61.159 60.784 0.375 25280 41 1 . 1 1 581 581 ILE CB C 581 39.139 39.139 37.895 1.244 25280 42 1 . 1 1 581 581 ILE H H 581 7.925 7.925 8.159 -0.235 25280 43 1 . 1 1 582 582 ASP N N 582 123.440 123.440 127.395 -3.955 25280 44 1 . 1 1 582 582 ASP HA H 582 4.565 4.565 4.685 -0.120 25280 45 1 . 1 1 582 582 ASP C C 582 175.891 175.891 175.497 0.394 25280 46 1 . 1 1 582 582 ASP CA C 582 54.394 54.394 53.888 0.506 25280 47 1 . 1 1 582 582 ASP CB C 582 41.070 41.070 40.922 0.148 25280 48 1 . 1 1 582 582 ASP H H 582 8.428 8.428 8.383 0.045 25280 49 1 . 1 1 583 583 MET N N 583 120.813 120.813 121.648 -0.835 25280 50 1 . 1 1 583 583 MET HA H 583 4.458 4.458 4.545 -0.087 25280 51 1 . 1 1 583 583 MET C C 583 175.962 175.962 175.560 0.402 25280 52 1 . 1 1 583 583 MET CA C 583 55.401 55.401 55.242 0.159 25280 53 1 . 1 1 583 583 MET CB C 583 32.942 32.942 33.982 -1.039 25280 54 1 . 1 1 583 583 MET H H 583 8.207 8.207 8.214 -0.007 25280 55 1 . 1 1 584 584 ILE N N 584 122.088 122.088 123.900 -1.812 25280 56 1 . 1 1 584 584 ILE HA H 584 4.113 4.113 4.278 -0.165 25280 57 1 . 1 1 584 584 ILE C C 584 175.758 175.758 175.091 0.667 25280 58 1 . 1 1 584 584 ILE CA C 584 61.193 61.193 61.143 0.050 25280 59 1 . 1 1 584 584 ILE CB C 584 38.815 38.815 38.855 -0.040 25280 60 1 . 1 1 584 584 ILE H H 584 8.090 8.090 8.302 -0.212 25280 61 1 . 1 1 585 585 ASP N N 585 124.211 124.211 126.879 -2.668 25280 62 1 . 1 1 585 585 ASP HA H 585 4.603 4.603 4.780 -0.177 25280 63 1 . 1 1 585 585 ASP C C 585 175.880 175.880 175.713 0.167 25280 64 1 . 1 1 585 585 ASP CA C 585 54.213 54.213 53.470 0.743 25280 65 1 . 1 1 585 585 ASP CB C 585 41.175 41.175 41.591 -0.415 25280 66 1 . 1 1 585 585 ASP H H 585 8.395 8.395 8.646 -0.251 25280 67 1 . 1 1 586 586 ASN N N 586 119.932 119.932 120.587 -0.655 25280 68 1 . 1 1 586 586 ASN HA H 586 4.681 4.681 4.583 0.098 25280 69 1 . 1 1 586 586 ASN C C 586 175.085 175.085 176.003 -0.918 25280 70 1 . 1 1 586 586 ASN CA C 586 53.488 53.488 54.031 -0.543 25280 71 1 . 1 1 586 586 ASN CB C 586 39.212 39.212 38.802 0.410 25280 72 1 . 1 1 586 586 ASN H H 586 8.362 8.362 8.663 -0.301 25280 73 1 . 1 1 587 587 ASP N N 587 120.991 120.991 119.850 1.141 25280 74 1 . 1 1 587 587 ASP HA H 587 4.584 4.584 4.424 0.160 25280 75 1 . 1 1 587 587 ASP C C 587 176.594 176.594 177.644 -1.050 25280 76 1 . 1 1 587 587 ASP CA C 587 54.770 54.770 56.238 -1.468 25280 77 1 . 1 1 587 587 ASP CB C 587 41.113 41.113 40.211 0.902 25280 78 1 . 1 1 587 587 ASP H H 587 8.417 8.417 8.485 -0.068 25280 79 1 . 1 1 588 588 GLN N N 588 120.536 120.536 118.118 2.418 25280 80 1 . 1 1 588 588 GLN HA H 588 4.276 4.276 4.170 0.106 25280 81 1 . 1 1 588 588 GLN C C 588 176.825 176.825 177.288 -0.463 25280 82 1 . 1 1 588 588 GLN CA C 588 56.197 56.197 56.402 -0.205 25280 83 1 . 1 1 588 588 GLN CB C 588 29.189 29.189 28.944 0.245 25280 84 1 . 1 1 588 588 GLN H H 588 8.351 8.351 7.873 0.478 25280 85 1 . 1 1 589 589 GLY N N 589 109.481 109.481 107.571 1.910 25280 86 1 . 1 1 589 589 GLY C C 589 174.353 174.353 174.262 0.091 25280 87 1 . 1 1 589 589 GLY CA C 589 45.495 45.495 45.079 0.416 25280 88 1 . 1 1 589 589 GLY H H 589 8.440 8.440 7.924 0.516 25280 89 1 . 1 1 590 590 SER N N 590 115.518 115.518 115.308 0.210 25280 90 1 . 1 1 590 590 SER HA H 590 4.493 4.493 4.475 0.018 25280 91 1 . 1 1 590 590 SER C C 590 174.643 174.643 174.707 -0.064 25280 92 1 . 1 1 590 590 SER CA C 590 58.215 58.215 58.409 -0.194 25280 93 1 . 1 1 590 590 SER CB C 590 63.883 63.883 63.968 -0.085 25280 94 1 . 1 1 590 590 SER H H 590 8.187 8.187 8.068 0.119 25280 95 1 . 1 1 591 591 SER N N 591 117.781 117.781 119.424 -1.643 25280 96 1 . 1 1 591 591 SER HA H 591 4.518 4.518 4.570 -0.052 25280 97 1 . 1 1 591 591 SER C C 591 174.128 174.128 173.845 0.283 25280 98 1 . 1 1 591 591 SER CA C 591 58.151 58.151 58.243 -0.092 25280 99 1 . 1 1 591 591 SER CB C 591 63.838 63.838 63.786 0.052 25280 100 1 . 1 1 591 591 SER H H 591 8.362 8.362 8.371 -0.009 25280 101 1 . 1 1 592 592 SER N N 592 118.898 118.898 119.622 -0.724 25280 102 1 . 1 1 592 592 SER CA C 592 56.483 56.483 56.903 -0.420 25280 103 1 . 1 1 592 592 SER CB C 592 63.507 63.507 63.077 0.430 25280 104 1 . 1 1 592 592 SER H H 592 8.336 8.336 8.265 0.071 25280 105 1 . 1 1 593 593 PRO HA H 593 4.459 4.459 4.512 -0.053 25280 106 1 . 1 1 593 593 PRO C C 593 177.037 177.037 177.087 -0.050 25280 107 1 . 1 1 593 593 PRO CA C 593 63.337 63.337 63.232 0.105 25280 108 1 . 1 1 593 593 PRO CB C 593 32.146 32.146 32.237 -0.091 25280 109 1 . 1 1 594 594 SER N N 594 116.126 116.126 117.482 -1.356 25280 110 1 . 1 1 594 594 SER HA H 594 4.405 4.405 4.275 0.130 25280 111 1 . 1 1 594 594 SER C C 594 174.478 174.478 175.959 -1.481 25280 112 1 . 1 1 594 594 SER CA C 594 58.283 58.283 60.408 -2.125 25280 113 1 . 1 1 594 594 SER CB C 594 63.781 63.781 63.291 0.491 25280 114 1 . 1 1 594 594 SER H H 594 8.436 8.436 8.566 -0.130 25280 115 1 . 1 1 595 595 ASN N N 595 120.920 120.920 119.927 0.993 25280 116 1 . 1 1 595 595 ASN HA H 595 4.711 4.711 4.541 0.170 25280 117 1 . 1 1 595 595 ASN C C 595 175.089 175.089 176.938 -1.849 25280 118 1 . 1 1 595 595 ASN CA C 595 53.483 53.483 55.515 -2.032 25280 119 1 . 1 1 595 595 ASN CB C 595 39.060 39.060 38.181 0.879 25280 120 1 . 1 1 595 595 ASN H H 595 8.460 8.460 8.447 0.013 25280 121 1 . 1 1 596 596 ASP N N 596 121.047 121.047 119.129 1.918 25280 122 1 . 1 1 596 596 ASP HA H 596 4.562 4.562 4.447 0.115 25280 123 1 . 1 1 596 596 ASP C C 596 176.666 176.666 178.057 -1.391 25280 124 1 . 1 1 596 596 ASP CA C 596 54.776 54.776 56.630 -1.854 25280 125 1 . 1 1 596 596 ASP CB C 596 41.079 41.079 40.175 0.904 25280 126 1 . 1 1 596 596 ASP H H 596 8.304 8.304 8.360 -0.056 25280 127 1 . 1 1 597 597 GLU N N 597 121.766 121.766 120.133 1.633 25280 128 1 . 1 1 597 597 GLU HA H 597 4.108 4.108 4.063 0.045 25280 129 1 . 1 1 597 597 GLU C C 597 177.474 177.474 178.304 -0.830 25280 130 1 . 1 1 597 597 GLU CA C 597 57.983 57.983 58.934 -0.951 25280 131 1 . 1 1 597 597 GLU CB C 597 29.907 29.907 29.435 0.472 25280 132 1 . 1 1 597 597 GLU H H 597 8.386 8.386 7.708 0.678 25280 133 1 . 1 1 598 598 ALA N N 598 123.873 123.873 121.510 2.363 25280 134 1 . 1 1 598 598 ALA C C 598 178.598 178.598 179.224 -0.626 25280 135 1 . 1 1 598 598 ALA CA C 598 53.540 53.540 54.677 -1.137 25280 136 1 . 1 1 598 598 ALA CB C 598 18.651 18.651 18.218 0.433 25280 137 1 . 1 1 598 598 ALA H H 598 8.238 8.238 7.696 0.542 25280 138 1 . 1 1 599 599 ALA N N 599 122.041 122.041 120.715 1.326 25280 139 1 . 1 1 599 599 ALA HA H 599 4.225 4.225 4.094 0.131 25280 140 1 . 1 1 599 599 ALA C C 599 178.877 178.877 179.912 -1.035 25280 141 1 . 1 1 599 599 ALA CA C 599 53.382 53.382 54.569 -1.187 25280 142 1 . 1 1 599 599 ALA CB C 599 18.779 18.779 18.520 0.259 25280 143 1 . 1 1 599 599 ALA H H 599 8.017 8.017 7.536 0.481 25280 144 1 . 1 1 600 600 MET N N 600 118.403 118.403 117.697 0.706 25280 145 1 . 1 1 600 600 MET HA H 600 4.386 4.386 4.240 0.146 25280 146 1 . 1 1 600 600 MET C C 600 176.628 176.628 177.962 -1.334 25280 147 1 . 1 1 600 600 MET CA C 600 56.058 56.058 57.309 -1.251 25280 148 1 . 1 1 600 600 MET CB C 600 32.504 32.504 32.159 0.345 25280 149 1 . 1 1 600 600 MET H H 600 8.096 8.096 7.775 0.321 25280 150 1 . 1 1 601 601 ALA N N 601 123.911 123.911 121.947 1.964 25280 151 1 . 1 1 601 601 ALA HA H 601 4.228 4.228 4.105 0.123 25280 152 1 . 1 1 601 601 ALA C C 601 178.582 178.582 178.992 -0.410 25280 153 1 . 1 1 601 601 ALA CA C 601 53.415 53.415 54.535 -1.120 25280 154 1 . 1 1 601 601 ALA CB C 601 18.732 18.732 17.783 0.949 25280 155 1 . 1 1 601 601 ALA H H 601 8.049 8.049 7.855 0.194 25280 156 1 . 1 1 602 602 VAL N N 602 119.320 119.320 117.961 1.359 25280 157 1 . 1 1 602 602 VAL HA H 602 3.938 3.938 3.748 0.190 25280 158 1 . 1 1 602 602 VAL C C 602 176.902 176.902 177.449 -0.547 25280 159 1 . 1 1 602 602 VAL CA C 602 63.561 63.561 65.282 -1.721 25280 160 1 . 1 1 602 602 VAL CB C 602 32.473 32.473 31.648 0.825 25280 161 1 . 1 1 602 602 VAL H H 602 7.844 7.844 7.307 0.537 25280 162 1 . 1 1 603 603 ILE N N 603 123.836 123.836 119.409 4.427 25280 163 1 . 1 1 603 603 ILE HA H 603 3.994 3.994 3.711 0.283 25280 164 1 . 1 1 603 603 ILE C C 603 177.039 177.039 177.585 -0.546 25280 165 1 . 1 1 603 603 ILE CA C 603 62.259 62.259 63.964 -1.705 25280 166 1 . 1 1 603 603 ILE CB C 603 38.292 38.292 37.905 0.387 25280 167 1 . 1 1 603 603 ILE H H 603 8.003 8.003 7.776 0.227 25280 168 1 . 1 1 604 604 MET N N 604 122.698 122.698 117.876 4.822 25280 169 1 . 1 1 604 604 MET HA H 604 4.412 4.412 4.229 0.183 25280 170 1 . 1 1 604 604 MET C C 604 176.884 176.884 176.461 0.423 25280 171 1 . 1 1 604 604 MET CA C 604 56.136 56.136 57.543 -1.407 25280 172 1 . 1 1 604 604 MET CB C 604 32.466 32.466 32.963 -0.497 25280 173 1 . 1 1 604 604 MET H H 604 8.414 8.414 7.537 0.877 25280 174 1 . 1 1 605 605 SER N N 605 116.666 116.666 113.477 3.189 25280 175 1 . 1 1 605 605 SER HA H 605 4.376 4.376 4.634 -0.258 25280 176 1 . 1 1 605 605 SER C C 605 174.920 174.920 173.562 1.358 25280 177 1 . 1 1 605 605 SER CA C 605 59.160 59.160 57.972 1.188 25280 178 1 . 1 1 605 605 SER CB C 605 63.539 63.539 63.567 -0.028 25280 179 1 . 1 1 605 605 SER H H 605 8.175 8.175 7.638 0.537 25280 180 1 . 1 1 606 606 LEU N N 606 123.877 123.877 123.284 0.593 25280 181 1 . 1 1 606 606 LEU HA H 606 4.329 4.329 4.576 -0.247 25280 182 1 . 1 1 606 606 LEU C C 606 177.666 177.666 176.303 1.363 25280 183 1 . 1 1 606 606 LEU CA C 606 55.735 55.735 54.763 0.972 25280 184 1 . 1 1 606 606 LEU CB C 606 42.208 42.208 42.791 -0.583 25280 185 1 . 1 1 606 606 LEU H H 606 8.098 8.098 8.407 -0.309 25280 186 1 . 1 1 607 607 LEU N N 607 121.714 121.714 120.578 1.136 25280 187 1 . 1 1 607 607 LEU HA H 607 4.311 4.311 4.393 -0.082 25280 188 1 . 1 1 607 607 LEU C C 607 177.811 177.811 176.841 0.971 25280 189 1 . 1 1 607 607 LEU CA C 607 55.664 55.664 54.956 0.708 25280 190 1 . 1 1 607 607 LEU CB C 607 42.312 42.312 42.481 -0.169 25280 191 1 . 1 1 607 607 LEU H H 607 8.015 8.015 7.473 0.542 25280 192 1 . 1 1 608 608 GLU N N 608 121.023 121.023 124.344 -3.321 25280 193 1 . 1 1 608 608 GLU HA H 608 4.204 4.204 4.403 -0.199 25280 194 1 . 1 1 608 608 GLU C C 608 176.604 176.604 176.502 0.102 25280 195 1 . 1 1 608 608 GLU CA C 608 56.781 56.781 55.814 0.967 25280 196 1 . 1 1 608 608 GLU CB C 608 30.050 30.050 29.355 0.695 25280 197 1 . 1 1 608 608 GLU H H 608 8.195 8.195 8.770 -0.575 25280 198 1 . 1 1 609 609 ALA N N 609 124.285 124.285 128.097 -3.812 25280 199 1 . 1 1 609 609 ALA HA H 609 4.223 4.223 4.094 0.129 25280 200 1 . 1 1 609 609 ALA C C 609 177.700 177.700 178.265 -0.565 25280 201 1 . 1 1 609 609 ALA CA C 609 52.977 52.977 54.472 -1.495 25280 202 1 . 1 1 609 609 ALA CB C 609 19.185 19.185 19.004 0.181 25280 203 1 . 1 1 609 609 ALA H H 609 8.156 8.156 8.287 -0.131 25280 204 1 . 1 1 610 610 ASP N N 610 119.248 119.248 118.422 0.826 25280 205 1 . 1 1 610 610 ASP HA H 610 4.549 4.549 4.412 0.137 25280 206 1 . 1 1 610 610 ASP C C 610 176.353 176.353 177.281 -0.928 25280 207 1 . 1 1 610 610 ASP CA C 610 54.344 54.344 55.916 -1.572 25280 208 1 . 1 1 610 610 ASP CB C 610 41.237 41.237 40.065 1.172 25280 209 1 . 1 1 610 610 ASP H H 610 8.215 8.215 8.384 -0.169 25280 210 1 . 1 1 611 611 ALA N N 611 124.813 124.813 120.549 4.264 25280 211 1 . 1 1 611 611 ALA C C 611 178.431 178.431 178.575 -0.144 25280 212 1 . 1 1 611 611 ALA CA C 611 53.032 53.032 53.150 -0.118 25280 213 1 . 1 1 611 611 ALA CB C 611 19.186 19.186 19.168 0.018 25280 214 1 . 1 1 611 611 ALA H H 611 8.211 8.211 7.489 0.722 25280 215 1 . 1 1 612 612 GLY N N 612 107.402 107.402 106.104 1.298 25280 216 1 . 1 1 612 612 GLY C C 612 174.554 174.554 174.464 0.090 25280 217 1 . 1 1 612 612 GLY CA C 612 45.512 45.512 45.111 0.401 25280 218 1 . 1 1 612 612 GLY H H 612 8.417 8.417 7.839 0.578 25280 219 1 . 1 1 613 613 LEU N N 613 121.201 121.201 120.573 0.628 25280 220 1 . 1 1 613 613 LEU HA H 613 4.294 4.294 4.276 0.018 25280 221 1 . 1 1 613 613 LEU C C 613 178.034 178.034 177.910 0.124 25280 222 1 . 1 1 613 613 LEU CA C 613 55.410 55.410 55.013 0.397 25280 223 1 . 1 1 613 613 LEU CB C 613 42.337 42.337 42.029 0.308 25280 224 1 . 1 1 613 613 LEU H H 613 8.032 8.032 7.868 0.164 25280 225 1 . 1 1 614 614 GLY N N 614 109.395 109.395 108.556 0.839 25280 226 1 . 1 1 614 614 GLY C C 614 174.274 174.274 174.784 -0.510 25280 227 1 . 1 1 614 614 GLY CA C 614 45.088 45.088 44.781 0.307 25280 228 1 . 1 1 614 614 GLY H H 614 8.438 8.438 8.794 -0.356 25280 229 1 . 1 1 615 615 GLY N N 615 108.795 108.795 109.226 -0.431 25280 230 1 . 1 1 615 615 GLY CA C 615 44.453 44.453 44.026 0.427 25280 231 1 . 1 1 615 615 GLY H H 615 8.048 8.048 7.751 0.297 25280 232 1 . 1 1 616 616 PRO HA H 616 4.416 4.416 4.368 0.048 25280 233 1 . 1 1 616 616 PRO C C 616 177.062 177.062 176.272 0.790 25280 234 1 . 1 1 616 616 PRO CA C 616 63.037 63.037 63.206 -0.169 25280 235 1 . 1 1 616 616 PRO CB C 616 32.164 32.164 32.123 0.040 25280 236 1 . 1 1 617 617 VAL N N 617 119.919 119.919 119.501 0.418 25280 237 1 . 1 1 617 617 VAL HA H 617 4.041 4.041 4.152 -0.111 25280 238 1 . 1 1 617 617 VAL C C 617 175.491 175.491 175.214 0.277 25280 239 1 . 1 1 617 617 VAL CA C 617 62.085 62.085 61.721 0.364 25280 240 1 . 1 1 617 617 VAL CB C 617 32.975 32.975 33.035 -0.060 25280 241 1 . 1 1 617 617 VAL H H 617 8.207 8.207 7.795 0.412 25280 242 1 . 1 1 618 618 ASP N N 618 123.606 123.606 124.703 -1.097 25280 243 1 . 1 1 618 618 ASP HA H 618 4.546 4.546 4.513 0.033 25280 244 1 . 1 1 618 618 ASP C C 618 175.875 175.875 175.678 0.197 25280 245 1 . 1 1 618 618 ASP CA C 618 53.977 53.977 53.521 0.456 25280 246 1 . 1 1 618 618 ASP CB C 618 41.472 41.472 41.618 -0.146 25280 247 1 . 1 1 618 618 ASP H H 618 8.264 8.264 8.236 0.028 25280 248 1 . 1 1 619 619 PHE N N 619 121.642 121.642 120.585 1.057 25280 249 1 . 1 1 619 619 PHE HA H 619 4.578 4.578 4.533 0.045 25280 250 1 . 1 1 619 619 PHE C C 619 175.905 175.905 176.118 -0.213 25280 251 1 . 1 1 619 619 PHE CA C 619 57.977 57.977 58.129 -0.153 25280 252 1 . 1 1 619 619 PHE CB C 619 39.363 39.363 39.416 -0.053 25280 253 1 . 1 1 619 619 PHE H H 619 8.263 8.263 8.210 0.053 25280 254 1 . 1 1 620 620 SER N N 620 117.019 117.019 118.507 -1.488 25280 255 1 . 1 1 620 620 SER HA H 620 4.325 4.325 4.447 -0.122 25280 256 1 . 1 1 620 620 SER C C 620 173.926 173.926 173.905 0.021 25280 257 1 . 1 1 620 620 SER CA C 620 58.935 58.935 58.092 0.843 25280 258 1 . 1 1 620 620 SER CB C 620 63.804 63.804 64.341 -0.537 25280 259 1 . 1 1 620 620 SER H H 620 8.274 8.274 8.125 0.149 25280 260 1 . 1 1 621 621 ASP N N 621 121.939 121.939 123.300 -1.361 25280 261 1 . 1 1 621 621 ASP HA H 621 4.596 4.596 4.641 -0.045 25280 262 1 . 1 1 621 621 ASP C C 621 175.540 175.540 175.775 -0.235 25280 263 1 . 1 1 621 621 ASP CA C 621 54.099 54.099 54.307 -0.208 25280 264 1 . 1 1 621 621 ASP CB C 621 41.098 41.098 40.980 0.118 25280 265 1 . 1 1 621 621 ASP H H 621 8.218 8.218 8.585 -0.367 25280 266 1 . 1 1 622 622 LEU N N 622 122.946 122.946 121.112 1.834 25280 267 1 . 1 1 622 622 LEU HA H 622 4.513 4.513 4.404 0.109 25280 268 1 . 1 1 622 622 LEU CA C 622 52.999 52.999 54.635 -1.636 25280 269 1 . 1 1 622 622 LEU CB C 622 41.847 41.847 41.673 0.174 25280 270 1 . 1 1 622 622 LEU H H 622 7.900 7.900 8.011 -0.112 25280 271 1 . 1 1 623 623 PRO HA H 623 4.335 4.335 4.493 -0.158 25280 272 1 . 1 1 623 623 PRO C C 623 176.233 176.233 175.894 0.339 25280 273 1 . 1 1 623 623 PRO CA C 623 62.969 62.969 63.231 -0.262 25280 274 1 . 1 1 623 623 PRO CB C 623 31.645 31.645 32.149 -0.504 25280 275 1 . 1 1 624 624 TRP N N 624 122.332 122.332 124.316 -1.984 25280 276 1 . 1 1 624 624 TRP HA H 624 4.903 4.903 4.742 0.161 25280 277 1 . 1 1 624 624 TRP CA C 624 54.676 54.676 55.678 -1.002 25280 278 1 . 1 1 624 624 TRP CB C 624 29.101 29.101 29.241 -0.140 25280 279 1 . 1 1 624 624 TRP H H 624 7.967 7.967 8.315 -0.348 25280 280 1 . 1 1 625 625 PRO HA H 625 4.400 4.400 4.458 -0.058 25280 281 1 . 1 1 625 625 PRO C C 625 175.842 175.842 176.070 -0.228 25280 282 1 . 1 1 625 625 PRO CA C 625 63.221 63.221 63.339 -0.118 25280 283 1 . 1 1 625 625 PRO CB C 625 31.812 31.812 32.161 -0.349 25280 stop_ save_